data_18480 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18480 _Entry.PDB_ID 2LTH 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 18480 _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 3 3 GLY N N 3 110.996 110.996 109.701 1.295 18480 2 1 1 . 1 1 3 3 GLY CA C 3 45.476 45.476 45.240 0.235 18480 3 1 1 . 1 1 3 3 GLY H H 3 8.591 8.591 8.258 0.333 18480 4 1 1 . 1 1 4 4 ASN N N 4 118.637 118.637 123.183 -4.546 18480 5 1 1 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.885 -0.157 18480 6 1 1 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.852 0.318 18480 7 1 1 . 1 1 4 4 ASN CB C 4 39.064 39.064 40.157 -1.093 18480 8 1 1 . 1 1 4 4 ASN H H 4 8.318 8.318 8.639 -0.321 18480 9 1 1 . 1 1 5 5 SER N N 5 116.285 116.285 113.716 2.569 18480 10 1 1 . 1 1 5 5 SER HA H 5 4.352 4.352 4.852 -0.500 18480 11 1 1 . 1 1 5 5 SER CA C 5 58.593 58.593 58.657 -0.064 18480 12 1 1 . 1 1 5 5 SER CB C 5 63.633 63.633 63.728 -0.095 18480 13 1 1 . 1 1 5 5 SER H H 5 8.280 8.280 8.238 0.042 18480 14 1 1 . 1 1 6 6 HIS N N 6 119.777 119.777 120.640 -0.863 18480 15 1 1 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.919 -0.181 18480 16 1 1 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.896 -1.552 18480 17 1 1 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.490 -1.162 18480 18 1 1 . 1 1 6 6 HIS H H 6 8.460 8.460 8.493 -0.033 18480 19 1 1 . 1 1 7 7 THR N N 7 115.111 115.111 114.401 0.710 18480 20 1 1 . 1 1 7 7 THR HA H 7 4.217 4.217 4.526 -0.309 18480 21 1 1 . 1 1 7 7 THR C C 7 173.970 173.970 172.726 1.244 18480 22 1 1 . 1 1 7 7 THR CA C 7 62.118 62.118 61.529 0.589 18480 23 1 1 . 1 1 7 7 THR CB C 7 69.871 69.871 69.959 -0.088 18480 24 1 1 . 1 1 7 7 THR H H 7 8.202 8.202 8.055 0.147 18480 25 1 1 . 1 1 8 8 THR N N 8 113.695 113.695 116.044 -2.349 18480 26 1 1 . 1 1 8 8 THR HA H 8 4.439 4.439 4.438 0.001 18480 27 1 1 . 1 1 8 8 THR C C 8 172.664 172.664 173.425 -0.761 18480 28 1 1 . 1 1 8 8 THR CA C 8 58.847 58.847 59.582 -0.735 18480 29 1 1 . 1 1 8 8 THR CB C 8 62.183 62.183 69.243 -7.060 18480 30 1 1 . 1 1 8 8 THR H H 8 8.113 8.113 7.801 0.312 18480 31 1 1 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.516 -0.551 18480 32 1 1 . 1 1 9 9 PRO CA C 9 63.436 63.436 63.899 -0.463 18480 33 1 1 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.827 -0.656 18480 34 1 1 . 1 1 10 10 TRP N N 10 108.872 108.872 113.232 -4.360 18480 35 1 1 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.013 -0.424 18480 36 1 1 . 1 1 10 10 TRP C C 10 175.817 175.817 175.897 -0.080 18480 37 1 1 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.820 0.352 18480 38 1 1 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.285 -1.310 18480 39 1 1 . 1 1 10 10 TRP H H 10 6.511 6.511 7.215 -0.704 18480 40 1 1 . 1 1 11 11 THR N N 11 113.736 113.736 115.840 -2.104 18480 41 1 1 . 1 1 11 11 THR HA H 11 3.899 3.899 4.192 -0.293 18480 42 1 1 . 1 1 11 11 THR C C 11 173.970 173.970 173.751 0.219 18480 43 1 1 . 1 1 11 11 THR CA C 11 65.731 65.731 64.226 1.505 18480 44 1 1 . 1 1 11 11 THR CB C 11 69.609 69.609 68.308 1.301 18480 45 1 1 . 1 1 11 11 THR H H 11 7.310 7.310 7.458 -0.148 18480 46 1 1 . 1 1 12 12 ASN N N 12 112.814 112.814 115.404 -2.590 18480 47 1 1 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.073 -0.401 18480 48 1 1 . 1 1 12 12 ASN C C 12 172.889 172.889 173.212 -0.323 18480 49 1 1 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.172 0.956 18480 50 1 1 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.924 -0.225 18480 51 1 1 . 1 1 12 12 ASN H H 12 7.234 7.234 7.452 -0.218 18480 52 1 1 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.229 -0.147 18480 53 1 1 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.447 0.195 18480 54 1 1 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.893 0.160 18480 55 1 1 . 1 1 14 14 GLY N N 14 107.424 107.424 107.067 0.357 18480 56 1 1 . 1 1 14 14 GLY C C 14 175.952 175.952 176.392 -0.440 18480 57 1 1 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.952 0.238 18480 58 1 1 . 1 1 14 14 GLY H H 14 8.288 8.288 7.919 0.369 18480 59 1 1 . 1 1 15 15 LEU N N 15 122.906 122.906 122.313 0.593 18480 60 1 1 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.917 0.113 18480 61 1 1 . 1 1 15 15 LEU C C 15 178.564 178.564 179.213 -0.649 18480 62 1 1 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.390 0.486 18480 63 1 1 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.749 0.567 18480 64 1 1 . 1 1 15 15 LEU H H 15 7.956 7.956 8.894 -0.938 18480 65 1 1 . 1 1 16 16 ALA N N 16 122.949 122.949 122.181 0.768 18480 66 1 1 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.179 -0.074 18480 67 1 1 . 1 1 16 16 ALA C C 16 179.104 179.104 179.721 -0.617 18480 68 1 1 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.955 1.025 18480 69 1 1 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.766 0.369 18480 70 1 1 . 1 1 16 16 ALA H H 16 7.598 7.598 7.802 -0.204 18480 71 1 1 . 1 1 17 17 GLU N N 17 116.632 116.632 116.564 0.068 18480 72 1 1 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.098 -0.278 18480 73 1 1 . 1 1 17 17 GLU C C 17 177.993 177.993 178.894 -0.901 18480 74 1 1 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.353 0.695 18480 75 1 1 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.519 -0.798 18480 76 1 1 . 1 1 17 17 GLU H H 17 8.097 8.097 8.511 -0.414 18480 77 1 1 . 1 1 18 18 ASN N N 18 117.645 117.645 118.833 -1.188 18480 78 1 1 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.527 -0.100 18480 79 1 1 . 1 1 18 18 ASN C C 18 178.347 178.347 177.201 1.146 18480 80 1 1 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.280 0.814 18480 81 1 1 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.048 0.076 18480 82 1 1 . 1 1 18 18 ASN H H 18 8.196 8.196 8.231 -0.035 18480 83 1 1 . 1 1 19 19 PHE N N 19 123.188 123.188 122.717 0.471 18480 84 1 1 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.117 -0.166 18480 85 1 1 . 1 1 19 19 PHE C C 19 176.837 176.837 176.771 0.066 18480 86 1 1 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.346 -0.450 18480 87 1 1 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.903 0.826 18480 88 1 1 . 1 1 19 19 PHE H H 19 8.868 8.868 7.632 1.236 18480 89 1 1 . 1 1 20 20 MET N N 20 118.140 118.140 116.399 1.741 18480 90 1 1 . 1 1 20 20 MET HA H 20 3.303 3.303 3.614 -0.311 18480 91 1 1 . 1 1 20 20 MET C C 20 178.924 178.924 178.240 0.684 18480 92 1 1 . 1 1 20 20 MET CA C 20 60.043 60.043 58.587 1.456 18480 93 1 1 . 1 1 20 20 MET CB C 20 33.527 33.527 31.293 2.234 18480 94 1 1 . 1 1 20 20 MET H H 20 7.644 7.644 7.737 -0.093 18480 95 1 1 . 1 1 21 21 ASN N N 21 116.213 116.213 118.938 -2.725 18480 96 1 1 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.398 0.055 18480 97 1 1 . 1 1 21 21 ASN C C 21 178.249 178.249 177.950 0.299 18480 98 1 1 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.556 -0.607 18480 99 1 1 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.244 -0.147 18480 100 1 1 . 1 1 21 21 ASN H H 21 8.169 8.169 7.763 0.406 18480 101 1 1 . 1 1 22 22 SER N N 22 117.086 117.086 115.168 1.918 18480 102 1 1 . 1 1 22 22 SER HA H 22 4.152 4.152 4.367 -0.215 18480 103 1 1 . 1 1 22 22 SER C C 22 178.143 178.143 175.454 2.689 18480 104 1 1 . 1 1 22 22 SER CA C 22 62.154 62.154 61.126 1.028 18480 105 1 1 . 1 1 22 22 SER CB C 22 62.709 62.709 63.125 -0.416 18480 106 1 1 . 1 1 22 22 SER H H 22 8.650 8.650 8.229 0.421 18480 107 1 1 . 1 1 23 23 PHE N N 23 124.044 124.044 122.422 1.622 18480 108 1 1 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.345 -0.477 18480 109 1 1 . 1 1 23 23 PHE C C 23 175.652 175.652 176.367 -0.715 18480 110 1 1 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.080 2.038 18480 111 1 1 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.745 -1.495 18480 112 1 1 . 1 1 23 23 PHE H H 23 8.394 8.394 7.462 0.932 18480 113 1 1 . 1 1 24 24 MET N N 24 117.794 117.794 118.101 -0.307 18480 114 1 1 . 1 1 24 24 MET HA H 24 4.177 4.177 3.773 0.404 18480 115 1 1 . 1 1 24 24 MET C C 24 179.797 179.797 178.452 1.345 18480 116 1 1 . 1 1 24 24 MET CA C 24 56.498 56.498 56.760 -0.262 18480 117 1 1 . 1 1 24 24 MET CB C 24 31.903 31.903 31.311 0.592 18480 118 1 1 . 1 1 24 24 MET H H 24 7.781 7.781 8.590 -0.809 18480 119 1 1 . 1 1 25 25 GLN N N 25 119.477 119.477 118.158 1.319 18480 120 1 1 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.075 -0.111 18480 121 1 1 . 1 1 25 25 GLN C C 25 179.870 179.870 177.784 2.086 18480 122 1 1 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.379 0.369 18480 123 1 1 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.915 0.469 18480 124 1 1 . 1 1 25 25 GLN H H 25 8.233 8.233 8.028 0.205 18480 125 1 1 . 1 1 26 26 GLY N N 26 107.052 107.052 107.452 -0.400 18480 126 1 1 . 1 1 26 26 GLY C C 26 176.387 176.387 175.679 0.708 18480 127 1 1 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.048 1.625 18480 128 1 1 . 1 1 26 26 GLY H H 26 7.936 7.936 7.561 0.375 18480 129 1 1 . 1 1 27 27 LEU N N 27 122.471 122.471 123.725 -1.254 18480 130 1 1 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.935 -0.217 18480 131 1 1 . 1 1 27 27 LEU C C 27 178.564 178.564 178.513 0.051 18480 132 1 1 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.434 0.760 18480 133 1 1 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.395 0.298 18480 134 1 1 . 1 1 27 27 LEU H H 27 8.157 8.157 8.183 -0.026 18480 135 1 1 . 1 1 28 28 SER N N 28 109.215 109.215 113.010 -3.795 18480 136 1 1 . 1 1 28 28 SER HA H 28 4.064 4.064 4.253 -0.189 18480 137 1 1 . 1 1 28 28 SER C C 28 174.421 174.421 175.358 -0.937 18480 138 1 1 . 1 1 28 28 SER CA C 28 61.444 61.444 60.087 1.357 18480 139 1 1 . 1 1 28 28 SER CB C 28 63.210 63.210 63.111 0.099 18480 140 1 1 . 1 1 28 28 SER H H 28 7.469 7.469 8.024 -0.555 18480 141 1 1 . 1 1 29 29 SER N N 29 114.308 114.308 115.516 -1.208 18480 142 1 1 . 1 1 29 29 SER HA H 29 4.667 4.667 4.578 0.089 18480 143 1 1 . 1 1 29 29 SER C C 29 173.970 173.970 173.899 0.071 18480 144 1 1 . 1 1 29 29 SER CA C 29 57.914 57.914 58.255 -0.341 18480 145 1 1 . 1 1 29 29 SER CB C 29 64.359 64.359 63.644 0.715 18480 146 1 1 . 1 1 29 29 SER H H 29 7.383 7.383 7.657 -0.274 18480 147 1 1 . 1 1 30 30 MET N N 30 122.604 122.604 122.543 0.061 18480 148 1 1 . 1 1 30 30 MET HA H 30 4.882 4.882 4.927 -0.045 18480 149 1 1 . 1 1 30 30 MET C C 30 174.195 174.195 175.573 -1.378 18480 150 1 1 . 1 1 30 30 MET CA C 30 53.753 53.753 51.845 1.908 18480 151 1 1 . 1 1 30 30 MET CB C 30 32.013 32.013 31.989 0.024 18480 152 1 1 . 1 1 30 30 MET H H 30 7.804 7.804 7.679 0.125 18480 153 1 1 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.392 0.274 18480 154 1 1 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.590 -0.893 18480 155 1 1 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.077 0.876 18480 156 1 1 . 1 1 32 32 GLY N N 32 104.648 104.648 105.660 -1.012 18480 157 1 1 . 1 1 32 32 GLY C C 32 172.454 172.454 174.056 -1.602 18480 158 1 1 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.273 0.148 18480 159 1 1 . 1 1 32 32 GLY H H 32 8.363 8.363 7.829 0.534 18480 160 1 1 . 1 1 33 33 PHE N N 33 116.917 116.917 119.543 -2.626 18480 161 1 1 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.847 0.440 18480 162 1 1 . 1 1 33 33 PHE C C 33 176.387 176.387 174.546 1.841 18480 163 1 1 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.085 -0.183 18480 164 1 1 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.345 -0.055 18480 165 1 1 . 1 1 33 33 PHE H H 33 8.118 8.118 7.501 0.617 18480 166 1 1 . 1 1 34 34 THR N N 34 113.457 113.457 112.885 0.572 18480 167 1 1 . 1 1 34 34 THR HA H 34 4.494 4.494 4.737 -0.243 18480 168 1 1 . 1 1 34 34 THR C C 34 175.066 175.066 175.522 -0.456 18480 169 1 1 . 1 1 34 34 THR CA C 34 59.946 59.946 59.214 0.732 18480 170 1 1 . 1 1 34 34 THR CB C 34 70.967 70.967 71.615 -0.648 18480 171 1 1 . 1 1 34 34 THR H H 34 8.727 8.727 8.091 0.636 18480 172 1 1 . 1 1 35 35 ALA N N 35 122.737 122.737 123.658 -0.921 18480 173 1 1 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.213 -0.128 18480 174 1 1 . 1 1 35 35 ALA C C 35 180.755 180.755 179.680 1.075 18480 175 1 1 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.873 0.650 18480 176 1 1 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.122 -0.052 18480 177 1 1 . 1 1 35 35 ALA H H 35 8.913 8.913 8.810 0.103 18480 178 1 1 . 1 1 36 36 SER N N 36 113.331 113.331 113.147 0.184 18480 179 1 1 . 1 1 36 36 SER HA H 36 4.244 4.244 4.361 -0.117 18480 180 1 1 . 1 1 36 36 SER C C 36 177.033 177.033 175.122 1.911 18480 181 1 1 . 1 1 36 36 SER CA C 36 61.453 61.453 60.684 0.769 18480 182 1 1 . 1 1 36 36 SER CB C 36 62.529 62.529 62.413 0.116 18480 183 1 1 . 1 1 36 36 SER H H 36 8.347 8.347 8.570 -0.223 18480 184 1 1 . 1 1 37 37 GLN N N 37 122.548 122.548 119.289 3.259 18480 185 1 1 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.776 -0.717 18480 186 1 1 . 1 1 37 37 GLN C C 37 179.149 179.149 177.677 1.472 18480 187 1 1 . 1 1 37 37 GLN CA C 37 58.967 58.967 56.639 2.328 18480 188 1 1 . 1 1 37 37 GLN CB C 37 28.021 28.021 30.516 -2.495 18480 189 1 1 . 1 1 37 37 GLN H H 37 7.500 7.500 7.830 -0.330 18480 190 1 1 . 1 1 38 38 LEU N N 38 117.948 117.948 121.641 -3.693 18480 191 1 1 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.960 -0.068 18480 192 1 1 . 1 1 38 38 LEU C C 38 179.675 179.675 178.734 0.941 18480 193 1 1 . 1 1 38 38 LEU CA C 38 57.959 57.959 58.360 -0.401 18480 194 1 1 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.674 -0.181 18480 195 1 1 . 1 1 38 38 LEU H H 38 8.217 8.217 8.810 -0.593 18480 196 1 1 . 1 1 39 39 ASP N N 39 120.923 120.923 119.431 1.492 18480 197 1 1 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.323 0.088 18480 198 1 1 . 1 1 39 39 ASP C C 39 179.224 179.224 177.827 1.397 18480 199 1 1 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.411 -0.805 18480 200 1 1 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.773 1.055 18480 201 1 1 . 1 1 39 39 ASP H H 39 8.192 8.192 8.008 0.184 18480 202 1 1 . 1 1 40 40 ASP N N 40 123.608 123.608 118.426 5.182 18480 203 1 1 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.447 -0.230 18480 204 1 1 . 1 1 40 40 ASP C C 40 179.600 179.600 178.426 1.174 18480 205 1 1 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.925 1.715 18480 206 1 1 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.032 -1.720 18480 207 1 1 . 1 1 40 40 ASP H H 40 8.366 8.366 7.716 0.650 18480 208 1 1 . 1 1 41 41 MET N N 41 118.772 118.772 116.911 1.861 18480 209 1 1 . 1 1 41 41 MET HA H 41 3.638 3.638 4.333 -0.695 18480 210 1 1 . 1 1 41 41 MET C C 41 177.693 177.693 177.998 -0.305 18480 211 1 1 . 1 1 41 41 MET CA C 41 60.513 60.513 58.607 1.906 18480 212 1 1 . 1 1 41 41 MET CB C 41 34.320 34.320 32.363 1.957 18480 213 1 1 . 1 1 41 41 MET H H 41 8.423 8.423 7.590 0.833 18480 214 1 1 . 1 1 42 42 SER N N 42 115.040 115.040 116.772 -1.732 18480 215 1 1 . 1 1 42 42 SER HA H 42 4.168 4.168 4.180 -0.012 18480 216 1 1 . 1 1 42 42 SER C C 42 177.483 177.483 176.726 0.757 18480 217 1 1 . 1 1 42 42 SER CA C 42 61.923 61.923 62.485 -0.562 18480 218 1 1 . 1 1 42 42 SER CB C 42 63.084 63.084 63.063 0.021 18480 219 1 1 . 1 1 42 42 SER H H 42 8.901 8.901 8.667 0.234 18480 220 1 1 . 1 1 43 43 THR N N 43 118.747 118.747 117.972 0.775 18480 221 1 1 . 1 1 43 43 THR HA H 43 3.914 3.914 4.096 -0.182 18480 222 1 1 . 1 1 43 43 THR C C 43 177.258 177.258 176.686 0.572 18480 223 1 1 . 1 1 43 43 THR CA C 43 67.017 67.017 66.528 0.489 18480 224 1 1 . 1 1 43 43 THR CB C 43 69.500 69.500 68.720 0.780 18480 225 1 1 . 1 1 43 43 THR H H 43 8.479 8.479 7.634 0.845 18480 226 1 1 . 1 1 44 44 ILE N N 44 121.898 121.898 121.451 0.447 18480 227 1 1 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.894 -0.191 18480 228 1 1 . 1 1 44 44 ILE C C 44 178.564 178.564 177.292 1.272 18480 229 1 1 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.195 -0.132 18480 230 1 1 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.664 -1.456 18480 231 1 1 . 1 1 44 44 ILE H H 44 7.807 7.807 7.341 0.466 18480 232 1 1 . 1 1 45 45 ALA N N 45 124.002 124.002 123.166 0.836 18480 233 1 1 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.978 0.064 18480 234 1 1 . 1 1 45 45 ALA C C 45 179.404 179.404 179.897 -0.493 18480 235 1 1 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.703 0.838 18480 236 1 1 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.093 0.365 18480 237 1 1 . 1 1 45 45 ALA H H 45 9.145 9.145 8.670 0.475 18480 238 1 1 . 1 1 46 46 GLN N N 46 115.753 115.753 117.073 -1.320 18480 239 1 1 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.051 -0.028 18480 240 1 1 . 1 1 46 46 GLN C C 46 179.014 179.014 178.579 0.435 18480 241 1 1 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.598 0.355 18480 242 1 1 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.270 0.130 18480 243 1 1 . 1 1 46 46 GLN H H 46 8.459 8.459 8.150 0.309 18480 244 1 1 . 1 1 47 47 SER N N 47 116.041 116.041 116.318 -0.277 18480 245 1 1 . 1 1 47 47 SER HA H 47 4.258 4.258 4.245 0.013 18480 246 1 1 . 1 1 47 47 SER C C 47 177.483 177.483 177.023 0.460 18480 247 1 1 . 1 1 47 47 SER CA C 47 62.328 62.328 61.344 0.984 18480 248 1 1 . 1 1 47 47 SER CB C 47 63.154 63.154 62.851 0.303 18480 249 1 1 . 1 1 47 47 SER H H 47 7.961 7.961 7.877 0.084 18480 250 1 1 . 1 1 48 48 MET N N 48 122.349 122.349 120.029 2.320 18480 251 1 1 . 1 1 48 48 MET HA H 48 4.376 4.376 4.383 -0.007 18480 252 1 1 . 1 1 48 48 MET C C 48 177.798 177.798 178.909 -1.111 18480 253 1 1 . 1 1 48 48 MET CA C 48 58.198 58.198 57.674 0.524 18480 254 1 1 . 1 1 48 48 MET CB C 48 32.102 32.102 32.371 -0.269 18480 255 1 1 . 1 1 48 48 MET H H 48 8.508 8.508 8.344 0.164 18480 256 1 1 . 1 1 49 49 VAL N N 49 122.061 122.061 116.250 5.811 18480 257 1 1 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.714 -0.272 18480 258 1 1 . 1 1 49 49 VAL C C 49 177.910 177.910 177.844 0.066 18480 259 1 1 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.063 1.860 18480 260 1 1 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.178 0.581 18480 261 1 1 . 1 1 49 49 VAL H H 49 8.541 8.541 7.605 0.936 18480 262 1 1 . 1 1 50 50 GLN N N 50 118.465 118.465 119.878 -1.413 18480 263 1 1 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.013 0.044 18480 264 1 1 . 1 1 50 50 GLN C C 50 179.449 179.449 178.616 0.833 18480 265 1 1 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.931 0.094 18480 266 1 1 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.173 -0.166 18480 267 1 1 . 1 1 50 50 GLN H H 50 8.165 8.165 8.594 -0.429 18480 268 1 1 . 1 1 51 51 SER N N 51 117.659 117.659 116.187 1.472 18480 269 1 1 . 1 1 51 51 SER HA H 51 3.854 3.854 4.293 -0.439 18480 270 1 1 . 1 1 51 51 SER C C 51 176.374 176.374 177.014 -0.640 18480 271 1 1 . 1 1 51 51 SER CA C 51 62.642 62.642 61.630 1.012 18480 272 1 1 . 1 1 51 51 SER CB C 51 63.039 63.039 63.001 0.038 18480 273 1 1 . 1 1 51 51 SER H H 51 8.199 8.199 7.730 0.469 18480 274 1 1 . 1 1 52 52 ILE N N 52 122.930 122.930 124.168 -1.238 18480 275 1 1 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.638 -0.258 18480 276 1 1 . 1 1 52 52 ILE C C 52 178.684 178.684 177.743 0.941 18480 277 1 1 . 1 1 52 52 ILE CA C 52 66.315 66.315 64.966 1.349 18480 278 1 1 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.503 0.045 18480 279 1 1 . 1 1 52 52 ILE H H 52 8.068 8.068 7.731 0.337 18480 280 1 1 . 1 1 53 53 GLN N N 53 118.774 118.774 119.050 -0.276 18480 281 1 1 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.928 -0.015 18480 282 1 1 . 1 1 53 53 GLN C C 53 179.014 179.014 178.743 0.271 18480 283 1 1 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.553 -0.385 18480 284 1 1 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.674 -0.657 18480 285 1 1 . 1 1 53 53 GLN H H 53 8.459 8.459 8.064 0.395 18480 286 1 1 . 1 1 54 54 SER N N 54 115.452 115.452 116.291 -0.839 18480 287 1 1 . 1 1 54 54 SER HA H 54 4.294 4.294 4.211 0.083 18480 288 1 1 . 1 1 54 54 SER C C 54 176.822 176.822 176.709 0.113 18480 289 1 1 . 1 1 54 54 SER CA C 54 61.276 61.276 61.561 -0.285 18480 290 1 1 . 1 1 54 54 SER CB C 54 62.873 62.873 62.624 0.249 18480 291 1 1 . 1 1 54 54 SER H H 54 8.330 8.330 8.186 0.144 18480 292 1 1 . 1 1 55 55 LEU N N 55 121.066 121.066 121.794 -0.728 18480 293 1 1 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.168 -0.187 18480 294 1 1 . 1 1 55 55 LEU C C 55 179.434 179.434 178.442 0.992 18480 295 1 1 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.294 0.682 18480 296 1 1 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.355 1.250 18480 297 1 1 . 1 1 55 55 LEU H H 55 8.211 8.211 7.900 0.311 18480 298 1 1 . 1 1 56 56 ALA N N 56 122.497 122.497 122.907 -0.410 18480 299 1 1 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.251 -0.102 18480 300 1 1 . 1 1 56 56 ALA C C 56 180.530 180.530 180.278 0.252 18480 301 1 1 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.538 0.531 18480 302 1 1 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.236 -0.274 18480 303 1 1 . 1 1 56 56 ALA H H 56 8.902 8.902 8.292 0.610 18480 304 1 1 . 1 1 57 57 ALA N N 57 122.922 122.922 121.083 1.839 18480 305 1 1 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.110 0.047 18480 306 1 1 . 1 1 57 57 ALA C C 57 179.344 179.344 179.054 0.290 18480 307 1 1 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.348 0.650 18480 308 1 1 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.512 -0.484 18480 309 1 1 . 1 1 57 57 ALA H H 57 8.140 8.140 8.105 0.035 18480 310 1 1 . 1 1 58 58 GLN N N 58 113.359 113.359 116.718 -3.359 18480 311 1 1 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.372 -0.010 18480 312 1 1 . 1 1 58 58 GLN C C 58 176.612 176.612 176.074 0.538 18480 313 1 1 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.168 0.430 18480 314 1 1 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.243 1.832 18480 315 1 1 . 1 1 58 58 GLN H H 58 7.415 7.415 7.852 -0.437 18480 316 1 1 . 1 1 59 59 GLY N N 59 109.012 109.012 108.052 0.960 18480 317 1 1 . 1 1 59 59 GLY C C 59 174.856 174.856 174.869 -0.013 18480 318 1 1 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.679 1.082 18480 319 1 1 . 1 1 59 59 GLY H H 59 7.979 7.979 7.713 0.266 18480 320 1 1 . 1 1 60 60 ARG N N 60 115.906 115.906 117.661 -1.755 18480 321 1 1 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.465 0.137 18480 322 1 1 . 1 1 60 60 ARG C C 60 175.847 175.847 175.576 0.271 18480 323 1 1 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.915 0.893 18480 324 1 1 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.863 1.543 18480 325 1 1 . 1 1 60 60 ARG H H 60 8.126 8.126 8.289 -0.163 18480 326 1 1 . 1 1 61 61 THR N N 61 107.985 107.985 114.985 -7.000 18480 327 1 1 . 1 1 61 61 THR HA H 61 4.125 4.125 4.375 -0.250 18480 328 1 1 . 1 1 61 61 THR C C 61 173.654 173.654 173.974 -0.320 18480 329 1 1 . 1 1 61 61 THR CA C 61 62.194 62.194 62.197 -0.003 18480 330 1 1 . 1 1 61 61 THR CB C 61 69.512 69.512 69.526 -0.014 18480 331 1 1 . 1 1 61 61 THR H H 61 7.663 7.663 7.642 0.021 18480 332 1 1 . 1 1 62 62 SER N N 62 113.733 113.733 119.520 -5.787 18480 333 1 1 . 1 1 62 62 SER HA H 62 4.973 4.973 4.839 0.134 18480 334 1 1 . 1 1 62 62 SER C C 62 173.207 173.207 173.423 -0.216 18480 335 1 1 . 1 1 62 62 SER CA C 62 56.343 56.343 56.064 0.279 18480 336 1 1 . 1 1 62 62 SER CB C 62 63.992 63.992 65.349 -1.357 18480 337 1 1 . 1 1 62 62 SER H H 62 7.057 7.057 8.172 -1.115 18480 338 1 1 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.778 -0.076 18480 339 1 1 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.915 0.385 18480 340 1 1 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.058 0.178 18480 341 1 1 . 1 1 64 64 ASN N N 64 114.886 114.886 115.996 -1.110 18480 342 1 1 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.481 -0.079 18480 343 1 1 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.088 0.163 18480 344 1 1 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.407 0.630 18480 345 1 1 . 1 1 64 64 ASN H H 64 8.642 8.642 8.707 -0.065 18480 346 1 1 . 1 1 65 65 LYS N N 65 119.774 119.774 120.001 -0.227 18480 347 1 1 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.168 -0.362 18480 348 1 1 . 1 1 65 65 LYS C C 65 178.999 178.999 178.064 0.935 18480 349 1 1 . 1 1 65 65 LYS CA C 65 60.878 60.878 57.923 2.954 18480 350 1 1 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.046 1.191 18480 351 1 1 . 1 1 65 65 LYS H H 65 7.882 7.882 8.013 -0.131 18480 352 1 1 . 1 1 66 66 LEU N N 66 117.686 117.686 119.297 -1.611 18480 353 1 1 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.265 -0.243 18480 354 1 1 . 1 1 66 66 LEU C C 66 178.928 178.928 179.205 -0.277 18480 355 1 1 . 1 1 66 66 LEU CA C 66 57.917 57.917 56.996 0.921 18480 356 1 1 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.417 -0.884 18480 357 1 1 . 1 1 66 66 LEU H H 66 8.666 8.666 8.292 0.374 18480 358 1 1 . 1 1 67 67 GLN N N 67 124.469 124.469 120.990 3.479 18480 359 1 1 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.962 -0.670 18480 360 1 1 . 1 1 67 67 GLN C C 67 178.789 178.789 177.516 1.273 18480 361 1 1 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.584 1.307 18480 362 1 1 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.232 -0.073 18480 363 1 1 . 1 1 67 67 GLN H H 67 8.997 8.997 8.323 0.674 18480 364 1 1 . 1 1 68 68 ALA N N 68 121.986 121.986 119.059 2.927 18480 365 1 1 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.192 -0.382 18480 366 1 1 . 1 1 68 68 ALA C C 68 180.320 180.320 178.389 1.931 18480 367 1 1 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.677 1.826 18480 368 1 1 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.313 -0.101 18480 369 1 1 . 1 1 68 68 ALA H H 68 7.427 7.427 7.744 -0.317 18480 370 1 1 . 1 1 69 69 LEU N N 69 118.881 118.881 116.507 2.374 18480 371 1 1 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.450 -0.398 18480 372 1 1 . 1 1 69 69 LEU C C 69 178.864 178.864 177.678 1.186 18480 373 1 1 . 1 1 69 69 LEU CA C 69 57.747 57.747 55.259 2.488 18480 374 1 1 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.834 -0.940 18480 375 1 1 . 1 1 69 69 LEU H H 69 8.143 8.143 7.673 0.470 18480 376 1 1 . 1 1 70 70 ASN N N 70 119.848 119.848 120.207 -0.359 18480 377 1 1 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.421 -0.030 18480 378 1 1 . 1 1 70 70 ASN C C 70 177.483 177.483 177.366 0.117 18480 379 1 1 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.654 1.130 18480 380 1 1 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.484 0.988 18480 381 1 1 . 1 1 70 70 ASN H H 70 8.456 8.456 7.909 0.547 18480 382 1 1 . 1 1 71 71 MET N N 71 118.843 118.843 117.616 1.227 18480 383 1 1 . 1 1 71 71 MET HA H 71 4.769 4.769 4.252 0.517 18480 384 1 1 . 1 1 71 71 MET C C 71 178.279 178.279 177.749 0.530 18480 385 1 1 . 1 1 71 71 MET CA C 71 56.415 56.415 56.482 -0.067 18480 386 1 1 . 1 1 71 71 MET CB C 71 29.788 29.788 31.516 -1.728 18480 387 1 1 . 1 1 71 71 MET H H 71 7.757 7.757 7.690 0.067 18480 388 1 1 . 1 1 72 72 ALA N N 72 126.265 126.265 123.488 2.777 18480 389 1 1 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.063 0.179 18480 390 1 1 . 1 1 72 72 ALA C C 72 179.059 179.059 179.820 -0.761 18480 391 1 1 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.109 0.017 18480 392 1 1 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.918 1.005 18480 393 1 1 . 1 1 72 72 ALA H H 72 8.559 8.559 7.752 0.807 18480 394 1 1 . 1 1 73 73 PHE N N 73 118.887 118.887 119.576 -0.689 18480 395 1 1 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.147 -0.084 18480 396 1 1 . 1 1 73 73 PHE C C 73 177.258 177.258 176.769 0.489 18480 397 1 1 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.299 0.773 18480 398 1 1 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.146 0.159 18480 399 1 1 . 1 1 73 73 PHE H H 73 8.337 8.337 8.116 0.221 18480 400 1 1 . 1 1 74 74 ALA N N 74 122.360 122.360 121.848 0.512 18480 401 1 1 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.680 -0.449 18480 402 1 1 . 1 1 74 74 ALA C C 74 179.374 179.374 179.501 -0.127 18480 403 1 1 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.878 0.938 18480 404 1 1 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.054 0.827 18480 405 1 1 . 1 1 74 74 ALA H H 74 8.540 8.540 8.139 0.401 18480 406 1 1 . 1 1 75 75 SER N N 75 112.265 112.265 113.255 -0.990 18480 407 1 1 . 1 1 75 75 SER HA H 75 3.858 3.858 4.219 -0.361 18480 408 1 1 . 1 1 75 75 SER CA C 75 62.251 62.251 61.480 0.771 18480 409 1 1 . 1 1 75 75 SER CB C 75 62.874 62.874 63.197 -0.323 18480 410 1 1 . 1 1 75 75 SER H H 75 8.859 8.859 8.548 0.311 18480 411 1 1 . 1 1 76 76 SER N N 76 118.859 118.859 119.046 -0.187 18480 412 1 1 . 1 1 76 76 SER HA H 76 3.964 3.964 4.680 -0.716 18480 413 1 1 . 1 1 76 76 SER CA C 76 63.066 63.066 61.021 2.045 18480 414 1 1 . 1 1 76 76 SER CB C 76 63.377 63.377 62.953 0.424 18480 415 1 1 . 1 1 76 76 SER H H 76 8.065 8.065 7.829 0.236 18480 416 1 1 . 1 1 77 77 MET N N 77 120.030 120.030 118.862 1.168 18480 417 1 1 . 1 1 77 77 MET HA H 77 4.234 4.234 4.145 0.089 18480 418 1 1 . 1 1 77 77 MET C C 77 178.354 178.354 178.003 0.351 18480 419 1 1 . 1 1 77 77 MET CA C 77 57.167 57.167 56.312 0.855 18480 420 1 1 . 1 1 77 77 MET CB C 77 32.728 32.728 31.127 1.601 18480 421 1 1 . 1 1 77 77 MET H H 77 7.397 7.397 7.946 -0.549 18480 422 1 1 . 1 1 78 78 ALA N N 78 119.880 119.880 122.714 -2.834 18480 423 1 1 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.227 -0.324 18480 424 1 1 . 1 1 78 78 ALA C C 78 178.354 178.354 179.330 -0.976 18480 425 1 1 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.464 -0.324 18480 426 1 1 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.358 0.743 18480 427 1 1 . 1 1 78 78 ALA H H 78 7.908 7.908 7.676 0.232 18480 428 1 1 . 1 1 79 79 GLU N N 79 117.907 117.907 118.864 -0.957 18480 429 1 1 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.949 -0.010 18480 430 1 1 . 1 1 79 79 GLU C C 79 178.894 178.894 178.663 0.231 18480 431 1 1 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.179 0.521 18480 432 1 1 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.017 0.630 18480 433 1 1 . 1 1 79 79 GLU H H 79 8.576 8.576 8.507 0.069 18480 434 1 1 . 1 1 80 80 ILE N N 80 121.918 121.918 120.842 1.076 18480 435 1 1 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.806 -0.204 18480 436 1 1 . 1 1 80 80 ILE C C 80 179.014 179.014 177.931 1.083 18480 437 1 1 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.772 0.359 18480 438 1 1 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.716 -0.091 18480 439 1 1 . 1 1 80 80 ILE H H 80 8.065 8.065 7.546 0.519 18480 440 1 1 . 1 1 81 81 ALA N N 81 120.266 120.266 122.706 -2.440 18480 441 1 1 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.230 -0.082 18480 442 1 1 . 1 1 81 81 ALA C C 81 177.258 177.258 179.330 -2.072 18480 443 1 1 . 1 1 81 81 ALA CA C 81 55.140 55.140 55.080 0.060 18480 444 1 1 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.773 0.382 18480 445 1 1 . 1 1 81 81 ALA H H 81 8.169 8.169 7.914 0.255 18480 446 1 1 . 1 1 82 82 ALA N N 82 114.813 114.813 119.348 -4.535 18480 447 1 1 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.104 -0.053 18480 448 1 1 . 1 1 82 82 ALA C C 82 177.693 177.693 180.126 -2.433 18480 449 1 1 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.055 -1.288 18480 450 1 1 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.540 2.459 18480 451 1 1 . 1 1 82 82 ALA H H 82 8.019 8.019 8.635 -0.616 18480 452 1 1 . 1 1 83 83 SER N N 83 110.140 110.140 113.379 -3.239 18480 453 1 1 . 1 1 83 83 SER HA H 83 4.415 4.415 4.441 -0.026 18480 454 1 1 . 1 1 83 83 SER C C 83 174.856 174.856 175.401 -0.545 18480 455 1 1 . 1 1 83 83 SER CA C 83 59.772 59.772 61.150 -1.378 18480 456 1 1 . 1 1 83 83 SER CB C 83 64.952 64.952 63.914 1.038 18480 457 1 1 . 1 1 83 83 SER H H 83 7.823 7.823 7.895 -0.072 18480 458 1 1 . 1 1 84 84 GLU N N 84 120.696 120.696 117.038 3.658 18480 459 1 1 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.641 -0.140 18480 460 1 1 . 1 1 84 84 GLU C C 84 176.597 176.597 174.657 1.940 18480 461 1 1 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.269 1.327 18480 462 1 1 . 1 1 84 84 GLU CB C 84 28.537 28.537 33.491 -4.954 18480 463 1 1 . 1 1 84 84 GLU H H 84 7.666 7.666 7.842 -0.176 18480 464 1 1 . 1 1 85 85 GLU N N 85 124.951 124.951 116.235 8.716 18480 465 1 1 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.542 -0.280 18480 466 1 1 . 1 1 85 85 GLU C C 85 177.258 177.258 175.043 2.215 18480 467 1 1 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.615 1.230 18480 468 1 1 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.709 -0.906 18480 469 1 1 . 1 1 85 85 GLU H H 85 8.735 8.735 8.321 0.414 18480 470 1 1 . 1 1 86 86 GLY N N 86 110.356 110.356 107.207 3.149 18480 471 1 1 . 1 1 86 86 GLY C C 86 174.856 174.856 174.294 0.562 18480 472 1 1 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.537 -1.147 18480 473 1 1 . 1 1 86 86 GLY H H 86 8.609 8.609 8.670 -0.061 18480 474 1 1 . 1 1 87 87 GLY N N 87 107.569 107.569 109.920 -2.351 18480 475 1 1 . 1 1 87 87 GLY C C 87 174.436 174.436 173.890 0.546 18480 476 1 1 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.818 -0.558 18480 477 1 1 . 1 1 87 87 GLY H H 87 7.931 7.931 8.295 -0.364 18480 478 1 1 . 1 1 88 88 GLY N N 88 109.889 109.889 107.930 1.959 18480 479 1 1 . 1 1 88 88 GLY C C 88 173.325 173.325 173.268 0.057 18480 480 1 1 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.190 0.976 18480 481 1 1 . 1 1 88 88 GLY H H 88 8.650 8.650 7.640 1.010 18480 482 1 1 . 1 1 89 89 SER N N 89 114.731 114.731 117.497 -2.766 18480 483 1 1 . 1 1 89 89 SER HA H 89 4.411 4.411 4.567 -0.156 18480 484 1 1 . 1 1 89 89 SER C C 89 175.066 175.066 176.395 -1.329 18480 485 1 1 . 1 1 89 89 SER CA C 89 57.363 57.363 56.840 0.523 18480 486 1 1 . 1 1 89 89 SER CB C 89 62.483 62.483 64.895 -2.412 18480 487 1 1 . 1 1 89 89 SER H H 89 8.640 8.640 7.867 0.773 18480 488 1 1 . 1 1 90 90 LEU N N 90 123.210 123.210 123.636 -0.426 18480 489 1 1 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.027 -0.052 18480 490 1 1 . 1 1 90 90 LEU C C 90 179.434 179.434 178.474 0.960 18480 491 1 1 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.377 -0.034 18480 492 1 1 . 1 1 90 90 LEU CB C 90 41.364 41.364 42.095 -0.731 18480 493 1 1 . 1 1 90 90 LEU H H 90 8.976 8.976 8.917 0.059 18480 494 1 1 . 1 1 91 91 SER N N 91 115.789 115.789 113.308 2.481 18480 495 1 1 . 1 1 91 91 SER HA H 91 4.149 4.149 4.159 -0.010 18480 496 1 1 . 1 1 91 91 SER C C 91 177.325 177.325 176.247 1.078 18480 497 1 1 . 1 1 91 91 SER CA C 91 61.794 61.794 62.049 -0.255 18480 498 1 1 . 1 1 91 91 SER CB C 91 62.276 62.276 62.640 -0.364 18480 499 1 1 . 1 1 91 91 SER H H 91 8.612 8.612 8.571 0.041 18480 500 1 1 . 1 1 92 92 THR N N 92 122.677 122.677 118.809 3.868 18480 501 1 1 . 1 1 92 92 THR HA H 92 3.919 3.919 4.056 -0.137 18480 502 1 1 . 1 1 92 92 THR C C 92 176.162 176.162 176.145 0.017 18480 503 1 1 . 1 1 92 92 THR CA C 92 66.719 66.719 66.599 0.120 18480 504 1 1 . 1 1 92 92 THR CB C 92 68.236 68.236 68.528 -0.292 18480 505 1 1 . 1 1 92 92 THR H H 92 7.871 7.871 7.377 0.494 18480 506 1 1 . 1 1 93 93 LYS N N 93 119.820 119.820 121.292 -1.472 18480 507 1 1 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.791 -0.222 18480 508 1 1 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.550 1.103 18480 509 1 1 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.485 2.243 18480 510 1 1 . 1 1 93 93 LYS H H 93 8.263 8.263 8.297 -0.034 18480 511 1 1 . 1 1 94 94 THR N N 94 113.759 113.759 117.347 -3.588 18480 512 1 1 . 1 1 94 94 THR HA H 94 3.692 3.692 4.085 -0.393 18480 513 1 1 . 1 1 94 94 THR C C 94 177.033 177.033 176.300 0.733 18480 514 1 1 . 1 1 94 94 THR CA C 94 68.122 68.122 67.182 0.940 18480 515 1 1 . 1 1 94 94 THR CB C 94 68.342 68.342 68.631 -0.289 18480 516 1 1 . 1 1 94 94 THR H H 94 8.448 8.448 7.928 0.520 18480 517 1 1 . 1 1 95 95 SER N N 95 117.547 117.547 117.068 0.479 18480 518 1 1 . 1 1 95 95 SER HA H 95 4.262 4.262 4.094 0.168 18480 519 1 1 . 1 1 95 95 SER C C 95 177.828 177.828 176.889 0.939 18480 520 1 1 . 1 1 95 95 SER CA C 95 61.758 61.758 61.585 0.173 18480 521 1 1 . 1 1 95 95 SER CB C 95 62.667 62.667 62.991 -0.324 18480 522 1 1 . 1 1 95 95 SER H H 95 8.173 8.173 7.962 0.211 18480 523 1 1 . 1 1 96 96 SER N N 96 121.366 121.366 118.054 3.312 18480 524 1 1 . 1 1 96 96 SER HA H 96 4.035 4.035 4.274 -0.239 18480 525 1 1 . 1 1 96 96 SER CA C 96 62.467 62.467 62.577 -0.110 18480 526 1 1 . 1 1 96 96 SER CB C 96 61.755 61.755 63.217 -1.462 18480 527 1 1 . 1 1 96 96 SER H H 96 8.830 8.830 8.175 0.655 18480 528 1 1 . 1 1 97 97 ILE N N 97 121.943 121.943 122.198 -0.255 18480 529 1 1 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.820 -0.011 18480 530 1 1 . 1 1 97 97 ILE C C 97 177.693 177.693 177.872 -0.179 18480 531 1 1 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.343 0.699 18480 532 1 1 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.773 -0.237 18480 533 1 1 . 1 1 97 97 ILE H H 97 8.380 8.380 7.895 0.485 18480 534 1 1 . 1 1 98 98 ALA N N 98 122.507 122.507 123.067 -0.560 18480 535 1 1 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.088 -0.049 18480 536 1 1 . 1 1 98 98 ALA C C 98 180.740 180.740 179.869 0.871 18480 537 1 1 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.568 0.820 18480 538 1 1 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.128 0.026 18480 539 1 1 . 1 1 98 98 ALA H H 98 8.624 8.624 8.655 -0.031 18480 540 1 1 . 1 1 99 99 SER N N 99 115.850 115.850 114.690 1.160 18480 541 1 1 . 1 1 99 99 SER HA H 99 4.325 4.325 4.444 -0.119 18480 542 1 1 . 1 1 99 99 SER C C 99 177.168 177.168 176.382 0.786 18480 543 1 1 . 1 1 99 99 SER CA C 99 61.867 61.867 60.707 1.160 18480 544 1 1 . 1 1 99 99 SER CB C 99 63.200 63.200 63.058 0.142 18480 545 1 1 . 1 1 99 99 SER H H 99 8.667 8.667 8.351 0.316 18480 546 1 1 . 1 1 100 100 ALA N N 100 124.410 124.410 125.861 -1.451 18480 547 1 1 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.833 -0.691 18480 548 1 1 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.612 0.776 18480 549 1 1 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.422 0.205 18480 550 1 1 . 1 1 100 100 ALA H H 100 8.744 8.744 7.688 1.056 18480 551 1 1 . 1 1 101 101 MET N N 101 119.346 119.346 117.871 1.475 18480 552 1 1 . 1 1 101 101 MET HA H 101 4.368 4.368 4.287 0.081 18480 553 1 1 . 1 1 101 101 MET CA C 101 59.163 59.163 57.798 1.365 18480 554 1 1 . 1 1 101 101 MET CB C 101 33.233 33.233 32.112 1.121 18480 555 1 1 . 1 1 101 101 MET H H 101 9.152 9.152 8.876 0.276 18480 556 1 1 . 1 1 102 102 SER N N 102 117.124 117.124 114.399 2.725 18480 557 1 1 . 1 1 102 102 SER HA H 102 4.382 4.382 4.495 -0.113 18480 558 1 1 . 1 1 102 102 SER CA C 102 63.424 63.424 61.953 1.472 18480 559 1 1 . 1 1 102 102 SER CB C 102 62.639 62.639 63.017 -0.379 18480 560 1 1 . 1 1 102 102 SER H H 102 8.766 8.766 8.246 0.520 18480 561 1 1 . 1 1 103 103 ASN N N 103 118.601 118.601 119.518 -0.917 18480 562 1 1 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.643 -0.177 18480 563 1 1 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.598 1.041 18480 564 1 1 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.418 -0.111 18480 565 1 1 . 1 1 103 103 ASN H H 103 8.298 8.298 8.025 0.273 18480 566 1 1 . 1 1 104 104 ALA N N 104 122.821 122.821 123.038 -0.217 18480 567 1 1 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.985 0.254 18480 568 1 1 . 1 1 104 104 ALA C C 104 181.701 181.701 179.571 2.130 18480 569 1 1 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.690 0.582 18480 570 1 1 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.026 0.148 18480 571 1 1 . 1 1 104 104 ALA H H 104 7.969 7.969 7.670 0.299 18480 572 1 1 . 1 1 105 105 PHE N N 105 119.585 119.585 117.142 2.443 18480 573 1 1 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.496 -0.288 18480 574 1 1 . 1 1 105 105 PHE C C 105 179.224 179.224 177.998 1.226 18480 575 1 1 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.072 3.050 18480 576 1 1 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.896 0.671 18480 577 1 1 . 1 1 105 105 PHE H H 105 8.647 8.647 7.670 0.977 18480 578 1 1 . 1 1 106 106 LEU N N 106 121.925 121.925 116.222 5.703 18480 579 1 1 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.051 -0.352 18480 580 1 1 . 1 1 106 106 LEU C C 106 179.074 179.074 178.771 0.303 18480 581 1 1 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.781 2.274 18480 582 1 1 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.059 0.404 18480 583 1 1 . 1 1 106 106 LEU H H 106 8.450 8.450 7.652 0.798 18480 584 1 1 . 1 1 107 107 GLN N N 107 115.214 115.214 118.066 -2.852 18480 585 1 1 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.352 -0.250 18480 586 1 1 . 1 1 107 107 GLN C C 107 176.822 176.822 177.656 -0.834 18480 587 1 1 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.853 -0.267 18480 588 1 1 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.075 0.204 18480 589 1 1 . 1 1 107 107 GLN H H 107 8.444 8.444 7.775 0.669 18480 590 1 1 . 1 1 108 108 THR N N 108 109.014 109.014 114.288 -5.274 18480 591 1 1 . 1 1 108 108 THR HA H 108 4.369 4.369 4.230 0.139 18480 592 1 1 . 1 1 108 108 THR C C 108 175.952 175.952 176.215 -0.263 18480 593 1 1 . 1 1 108 108 THR CA C 108 63.658 63.658 64.908 -1.250 18480 594 1 1 . 1 1 108 108 THR CB C 108 70.179 70.179 68.822 1.357 18480 595 1 1 . 1 1 108 108 THR H H 108 7.631 7.631 8.245 -0.614 18480 596 1 1 . 1 1 109 109 THR N N 109 110.844 110.844 112.530 -1.686 18480 597 1 1 . 1 1 109 109 THR HA H 109 4.477 4.477 4.363 0.114 18480 598 1 1 . 1 1 109 109 THR C C 109 176.162 176.162 175.871 0.291 18480 599 1 1 . 1 1 109 109 THR CA C 109 61.728 61.728 62.740 -1.012 18480 600 1 1 . 1 1 109 109 THR CB C 109 70.659 70.659 70.568 0.091 18480 601 1 1 . 1 1 109 109 THR H H 109 8.623 8.623 7.802 0.821 18480 602 1 1 . 1 1 110 110 GLY N N 110 109.549 109.549 110.300 -0.751 18480 603 1 1 . 1 1 110 110 GLY C C 110 172.889 172.889 173.562 -0.673 18480 604 1 1 . 1 1 110 110 GLY CA C 110 45.543 45.543 45.030 0.513 18480 605 1 1 . 1 1 110 110 GLY H H 110 8.113 8.113 8.423 -0.310 18480 606 1 1 . 1 1 111 111 VAL N N 111 118.903 118.903 119.014 -0.111 18480 607 1 1 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.515 -0.259 18480 608 1 1 . 1 1 111 111 VAL C C 111 174.421 174.421 173.909 0.512 18480 609 1 1 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.335 0.426 18480 610 1 1 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.436 0.074 18480 611 1 1 . 1 1 111 111 VAL H H 111 7.724 7.724 7.563 0.161 18480 612 1 1 . 1 1 112 112 VAL N N 112 124.398 124.398 124.133 0.265 18480 613 1 1 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.075 -0.842 18480 614 1 1 . 1 1 112 112 VAL C C 112 174.646 174.646 175.916 -1.270 18480 615 1 1 . 1 1 112 112 VAL CA C 112 63.735 63.735 61.180 2.555 18480 616 1 1 . 1 1 112 112 VAL CB C 112 32.806 32.806 32.795 0.011 18480 617 1 1 . 1 1 112 112 VAL H H 112 8.627 8.627 8.356 0.271 18480 618 1 1 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.370 0.199 18480 619 1 1 . 1 1 113 113 ASN CA C 113 51.207 51.207 54.320 -3.113 18480 620 1 1 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.630 -0.249 18480 621 1 1 . 1 1 114 114 GLN N N 114 125.364 125.364 115.482 9.882 18480 622 1 1 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.108 -0.168 18480 623 1 1 . 1 1 114 114 GLN C C 114 174.811 174.811 174.081 0.730 18480 624 1 1 . 1 1 114 114 GLN CA C 114 59.636 59.636 58.277 1.359 18480 625 1 1 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.448 -0.357 18480 626 1 1 . 1 1 114 114 GLN H H 114 8.731 8.731 7.940 0.791 18480 627 1 1 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.300 -0.032 18480 628 1 1 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.217 1.444 18480 629 1 1 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.402 -0.205 18480 630 1 1 . 1 1 116 116 PHE N N 116 118.102 118.102 119.015 -0.913 18480 631 1 1 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.210 0.051 18480 632 1 1 . 1 1 116 116 PHE C C 116 176.597 176.597 177.632 -1.035 18480 633 1 1 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.631 -0.341 18480 634 1 1 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.233 0.347 18480 635 1 1 . 1 1 116 116 PHE H H 116 7.712 7.712 8.032 -0.320 18480 636 1 1 . 1 1 117 117 ILE N N 117 118.950 118.950 117.926 1.024 18480 637 1 1 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.913 -0.259 18480 638 1 1 . 1 1 117 117 ILE C C 117 178.789 178.789 178.146 0.643 18480 639 1 1 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.699 0.941 18480 640 1 1 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.791 -0.277 18480 641 1 1 . 1 1 117 117 ILE H H 117 7.747 7.747 7.809 -0.062 18480 642 1 1 . 1 1 118 118 ASN N N 118 119.204 119.204 116.490 2.714 18480 643 1 1 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.562 -0.195 18480 644 1 1 . 1 1 118 118 ASN C C 118 177.033 177.033 177.687 -0.654 18480 645 1 1 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.342 0.439 18480 646 1 1 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.103 -0.619 18480 647 1 1 . 1 1 118 118 ASN H H 118 8.847 8.847 7.780 1.067 18480 648 1 1 . 1 1 119 119 GLU N N 119 120.684 120.684 119.113 1.571 18480 649 1 1 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.202 -0.237 18480 650 1 1 . 1 1 119 119 GLU C C 119 178.564 178.564 177.889 0.675 18480 651 1 1 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.112 1.002 18480 652 1 1 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.448 -0.930 18480 653 1 1 . 1 1 119 119 GLU H H 119 8.081 8.081 7.483 0.598 18480 654 1 1 . 1 1 120 120 ILE N N 120 118.037 118.037 119.905 -1.868 18480 655 1 1 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.802 -0.230 18480 656 1 1 . 1 1 120 120 ILE C C 120 178.279 178.279 178.178 0.101 18480 657 1 1 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.813 -0.715 18480 658 1 1 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.682 -1.430 18480 659 1 1 . 1 1 120 120 ILE H H 120 7.948 7.948 7.227 0.721 18480 660 1 1 . 1 1 121 121 THR N N 121 113.671 113.671 112.739 0.932 18480 661 1 1 . 1 1 121 121 THR HA H 121 3.804 3.804 3.902 -0.098 18480 662 1 1 . 1 1 121 121 THR C C 121 177.258 177.258 176.651 0.607 18480 663 1 1 . 1 1 121 121 THR CA C 121 66.771 66.771 66.211 0.560 18480 664 1 1 . 1 1 121 121 THR CB C 121 68.293 68.293 68.512 -0.219 18480 665 1 1 . 1 1 121 121 THR H H 121 8.345 8.345 7.670 0.675 18480 666 1 1 . 1 1 122 122 GLN N N 122 121.849 121.849 121.347 0.502 18480 667 1 1 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.010 -0.011 18480 668 1 1 . 1 1 122 122 GLN C C 122 179.014 179.014 178.338 0.676 18480 669 1 1 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.501 0.265 18480 670 1 1 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.388 0.044 18480 671 1 1 . 1 1 122 122 GLN H H 122 7.589 7.589 7.716 -0.127 18480 672 1 1 . 1 1 123 123 LEU N N 123 120.855 120.855 120.412 0.443 18480 673 1 1 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.554 -0.136 18480 674 1 1 . 1 1 123 123 LEU C C 123 178.354 178.354 178.766 -0.412 18480 675 1 1 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.578 0.238 18480 676 1 1 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.558 -0.707 18480 677 1 1 . 1 1 123 123 LEU H H 123 8.081 8.081 7.770 0.311 18480 678 1 1 . 1 1 124 124 VAL N N 124 115.864 115.864 117.822 -1.958 18480 679 1 1 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.706 -0.356 18480 680 1 1 . 1 1 124 124 VAL C C 124 177.453 177.453 178.432 -0.979 18480 681 1 1 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.310 1.163 18480 682 1 1 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.266 0.340 18480 683 1 1 . 1 1 124 124 VAL H H 124 7.574 7.574 7.797 -0.223 18480 684 1 1 . 1 1 125 125 SER N N 125 110.334 110.334 115.557 -5.223 18480 685 1 1 . 1 1 125 125 SER HA H 125 4.054 4.054 4.107 -0.054 18480 686 1 1 . 1 1 125 125 SER C C 125 175.937 175.937 176.566 -0.629 18480 687 1 1 . 1 1 125 125 SER CA C 125 61.763 61.763 61.791 -0.028 18480 688 1 1 . 1 1 125 125 SER CB C 125 62.864 62.864 63.169 -0.305 18480 689 1 1 . 1 1 125 125 SER H H 125 6.950 6.950 7.591 -0.641 18480 690 1 1 . 1 1 126 126 MET N N 126 121.750 121.750 119.395 2.355 18480 691 1 1 . 1 1 126 126 MET HA H 126 3.951 3.951 4.082 -0.131 18480 692 1 1 . 1 1 126 126 MET C C 126 179.254 179.254 178.463 0.791 18480 693 1 1 . 1 1 126 126 MET CA C 126 59.246 59.246 58.914 0.332 18480 694 1 1 . 1 1 126 126 MET CB C 126 33.265 33.265 32.050 1.215 18480 695 1 1 . 1 1 126 126 MET H H 126 8.113 8.113 8.215 -0.102 18480 696 1 1 . 1 1 127 127 PHE N N 127 118.909 118.909 117.928 0.981 18480 697 1 1 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.331 0.312 18480 698 1 1 . 1 1 127 127 PHE C C 127 178.128 178.128 177.515 0.613 18480 699 1 1 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.252 -2.493 18480 700 1 1 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.040 0.021 18480 701 1 1 . 1 1 127 127 PHE H H 127 8.791 8.791 7.768 1.023 18480 702 1 1 . 1 1 128 128 ALA N N 128 122.620 122.620 119.938 2.682 18480 703 1 1 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.369 -0.193 18480 704 1 1 . 1 1 128 128 ALA C C 128 178.789 178.789 178.544 0.245 18480 705 1 1 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.315 0.350 18480 706 1 1 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.453 0.712 18480 707 1 1 . 1 1 128 128 ALA H H 128 8.235 8.235 7.514 0.721 18480 708 1 1 . 1 1 129 129 GLN N N 129 116.507 116.507 117.778 -1.271 18480 709 1 1 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.169 0.056 18480 710 1 1 . 1 1 129 129 GLN C C 129 177.258 177.258 178.151 -0.893 18480 711 1 1 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.786 -0.768 18480 712 1 1 . 1 1 129 129 GLN CB C 129 29.125 29.125 29.005 0.120 18480 713 1 1 . 1 1 129 129 GLN H H 129 7.715 7.715 7.503 0.212 18480 714 1 1 . 1 1 130 130 ALA N N 130 122.020 122.020 121.115 0.905 18480 715 1 1 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.179 0.041 18480 716 1 1 . 1 1 130 130 ALA C C 130 178.564 178.564 178.841 -0.277 18480 717 1 1 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.330 0.476 18480 718 1 1 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.205 -0.245 18480 719 1 1 . 1 1 130 130 ALA H H 130 7.775 7.775 7.907 -0.132 18480 720 1 1 . 1 1 131 131 GLY N N 131 106.006 106.006 107.030 -1.024 18480 721 1 1 . 1 1 131 131 GLY C C 131 173.970 173.970 174.831 -0.861 18480 722 1 1 . 1 1 131 131 GLY CA C 131 46.113 46.113 45.856 0.257 18480 723 1 1 . 1 1 131 131 GLY H H 131 8.110 8.110 8.331 -0.221 18480 724 1 1 . 1 1 132 132 MET N N 132 118.637 118.637 115.668 2.969 18480 725 1 1 . 1 1 132 132 MET HA H 132 4.401 4.401 4.547 -0.146 18480 726 1 1 . 1 1 132 132 MET C C 132 175.952 175.952 175.789 0.163 18480 727 1 1 . 1 1 132 132 MET CA C 132 56.375 56.375 54.555 1.820 18480 728 1 1 . 1 1 132 132 MET CB C 132 32.939 32.939 30.493 2.446 18480 729 1 1 . 1 1 132 132 MET H H 132 7.945 7.945 8.120 -0.175 18480 730 1 1 . 1 1 133 133 ASN N N 133 117.955 117.955 117.672 0.283 18480 731 1 1 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.588 0.183 18480 732 1 1 . 1 1 133 133 ASN C C 133 174.646 174.646 175.538 -0.892 18480 733 1 1 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.230 -0.742 18480 734 1 1 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.992 1.383 18480 735 1 1 . 1 1 133 133 ASN H H 133 8.283 8.283 7.803 0.480 18480 736 1 1 . 1 1 134 134 ASP N N 134 120.891 120.891 120.839 0.052 18480 737 1 1 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.644 -0.025 18480 738 1 1 . 1 1 134 134 ASP C C 134 176.162 176.162 176.723 -0.561 18480 739 1 1 . 1 1 134 134 ASP CA C 134 54.401 54.401 54.950 -0.549 18480 740 1 1 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.053 -0.881 18480 741 1 1 . 1 1 134 134 ASP H H 134 8.192 8.192 7.714 0.478 18480 742 1 1 . 1 1 135 135 VAL N N 135 119.737 119.737 116.966 2.771 18480 743 1 1 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.660 0.520 18480 744 1 1 . 1 1 135 135 VAL C C 135 176.162 176.162 175.432 0.730 18480 745 1 1 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.530 -1.384 18480 746 1 1 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.982 2.748 18480 747 1 1 . 1 1 135 135 VAL H H 135 8.056 8.056 7.952 0.104 18480 748 1 1 . 1 1 136 136 SER N N 136 119.689 119.689 110.359 9.330 18480 749 1 1 . 1 1 136 136 SER HA H 136 4.427 4.427 4.082 0.345 18480 750 1 1 . 1 1 136 136 SER C C 136 173.325 173.325 173.879 -0.554 18480 751 1 1 . 1 1 136 136 SER CA C 136 58.351 58.351 59.630 -1.279 18480 752 1 1 . 1 1 136 136 SER CB C 136 64.031 64.031 61.092 2.939 18480 753 1 1 . 1 1 136 136 SER H H 136 8.355 8.355 8.478 -0.123 18480 754 1 2 . 1 1 3 3 GLY N N 3 110.996 110.996 110.054 0.942 18480 755 1 2 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.596 0.880 18480 756 1 2 . 1 1 3 3 GLY H H 3 8.591 8.591 8.557 0.034 18480 757 1 2 . 1 1 4 4 ASN N N 4 118.637 118.637 120.228 -1.591 18480 758 1 2 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.810 -0.082 18480 759 1 2 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.167 0.002 18480 760 1 2 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.031 0.034 18480 761 1 2 . 1 1 4 4 ASN H H 4 8.318 8.318 7.835 0.483 18480 762 1 2 . 1 1 5 5 SER N N 5 116.285 116.285 122.647 -6.362 18480 763 1 2 . 1 1 5 5 SER HA H 5 4.352 4.352 4.757 -0.405 18480 764 1 2 . 1 1 5 5 SER CA C 5 58.593 58.593 57.729 0.864 18480 765 1 2 . 1 1 5 5 SER CB C 5 63.633 63.633 63.160 0.473 18480 766 1 2 . 1 1 5 5 SER H H 5 8.280 8.280 8.610 -0.330 18480 767 1 2 . 1 1 6 6 HIS N N 6 119.777 119.777 122.107 -2.330 18480 768 1 2 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.747 -0.009 18480 769 1 2 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.232 0.112 18480 770 1 2 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.714 -2.386 18480 771 1 2 . 1 1 6 6 HIS H H 6 8.460 8.460 8.241 0.219 18480 772 1 2 . 1 1 7 7 THR N N 7 115.111 115.111 115.931 -0.820 18480 773 1 2 . 1 1 7 7 THR HA H 7 4.217 4.217 4.245 -0.028 18480 774 1 2 . 1 1 7 7 THR C C 7 173.970 173.970 173.973 -0.003 18480 775 1 2 . 1 1 7 7 THR CA C 7 62.118 62.118 61.867 0.251 18480 776 1 2 . 1 1 7 7 THR CB C 7 69.871 69.871 69.072 0.799 18480 777 1 2 . 1 1 7 7 THR H H 7 8.202 8.202 8.356 -0.154 18480 778 1 2 . 1 1 8 8 THR N N 8 113.695 113.695 116.406 -2.711 18480 779 1 2 . 1 1 8 8 THR HA H 8 4.439 4.439 4.305 0.134 18480 780 1 2 . 1 1 8 8 THR C C 8 172.664 172.664 172.380 0.284 18480 781 1 2 . 1 1 8 8 THR CA C 8 58.847 58.847 59.055 -0.208 18480 782 1 2 . 1 1 8 8 THR CB C 8 62.183 62.183 69.243 -7.060 18480 783 1 2 . 1 1 8 8 THR H H 8 8.113 8.113 7.768 0.345 18480 784 1 2 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.341 -0.376 18480 785 1 2 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.430 -0.994 18480 786 1 2 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.487 -0.316 18480 787 1 2 . 1 1 10 10 TRP N N 10 108.872 108.872 111.824 -2.952 18480 788 1 2 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.977 -0.388 18480 789 1 2 . 1 1 10 10 TRP C C 10 175.817 175.817 175.870 -0.053 18480 790 1 2 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.417 0.755 18480 791 1 2 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.854 -0.878 18480 792 1 2 . 1 1 10 10 TRP H H 10 6.511 6.511 7.001 -0.490 18480 793 1 2 . 1 1 11 11 THR N N 11 113.736 113.736 116.251 -2.515 18480 794 1 2 . 1 1 11 11 THR HA H 11 3.899 3.899 4.163 -0.264 18480 795 1 2 . 1 1 11 11 THR C C 11 173.970 173.970 173.698 0.272 18480 796 1 2 . 1 1 11 11 THR CA C 11 65.731 65.731 64.280 1.451 18480 797 1 2 . 1 1 11 11 THR CB C 11 69.609 69.609 69.159 0.450 18480 798 1 2 . 1 1 11 11 THR H H 11 7.310 7.310 7.585 -0.275 18480 799 1 2 . 1 1 12 12 ASN N N 12 112.814 112.814 114.701 -1.887 18480 800 1 2 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.010 -0.338 18480 801 1 2 . 1 1 12 12 ASN C C 12 172.889 172.889 173.275 -0.386 18480 802 1 2 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.407 1.721 18480 803 1 2 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.038 0.661 18480 804 1 2 . 1 1 12 12 ASN H H 12 7.234 7.234 7.434 -0.200 18480 805 1 2 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.276 -0.194 18480 806 1 2 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.276 -0.634 18480 807 1 2 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.802 0.251 18480 808 1 2 . 1 1 14 14 GLY N N 14 107.424 107.424 106.975 0.449 18480 809 1 2 . 1 1 14 14 GLY C C 14 175.952 175.952 176.477 -0.525 18480 810 1 2 . 1 1 14 14 GLY CA C 14 47.190 47.190 47.032 0.158 18480 811 1 2 . 1 1 14 14 GLY H H 14 8.288 8.288 8.311 -0.023 18480 812 1 2 . 1 1 15 15 LEU N N 15 122.906 122.906 122.434 0.472 18480 813 1 2 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.940 0.090 18480 814 1 2 . 1 1 15 15 LEU C C 15 178.564 178.564 179.225 -0.661 18480 815 1 2 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.471 0.405 18480 816 1 2 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.587 0.729 18480 817 1 2 . 1 1 15 15 LEU H H 15 7.956 7.956 8.975 -1.019 18480 818 1 2 . 1 1 16 16 ALA N N 16 122.949 122.949 122.521 0.428 18480 819 1 2 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.040 0.065 18480 820 1 2 . 1 1 16 16 ALA C C 16 179.104 179.104 179.612 -0.508 18480 821 1 2 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.099 0.881 18480 822 1 2 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.597 0.538 18480 823 1 2 . 1 1 16 16 ALA H H 16 7.598 7.598 7.935 -0.337 18480 824 1 2 . 1 1 17 17 GLU N N 17 116.632 116.632 117.117 -0.485 18480 825 1 2 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.948 -0.128 18480 826 1 2 . 1 1 17 17 GLU C C 17 177.993 177.993 178.781 -0.788 18480 827 1 2 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.695 0.354 18480 828 1 2 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.479 -0.758 18480 829 1 2 . 1 1 17 17 GLU H H 17 8.097 8.097 8.307 -0.210 18480 830 1 2 . 1 1 18 18 ASN N N 18 117.645 117.645 119.485 -1.840 18480 831 1 2 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.440 -0.013 18480 832 1 2 . 1 1 18 18 ASN C C 18 178.347 178.347 177.546 0.801 18480 833 1 2 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.721 0.373 18480 834 1 2 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.057 0.067 18480 835 1 2 . 1 1 18 18 ASN H H 18 8.196 8.196 8.385 -0.189 18480 836 1 2 . 1 1 19 19 PHE N N 19 123.188 123.188 122.036 1.152 18480 837 1 2 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.097 -0.146 18480 838 1 2 . 1 1 19 19 PHE C C 19 176.837 176.837 177.201 -0.364 18480 839 1 2 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.041 -0.144 18480 840 1 2 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.094 0.634 18480 841 1 2 . 1 1 19 19 PHE H H 19 8.868 8.868 8.497 0.371 18480 842 1 2 . 1 1 20 20 MET N N 20 118.140 118.140 115.707 2.433 18480 843 1 2 . 1 1 20 20 MET HA H 20 3.303 3.303 3.855 -0.552 18480 844 1 2 . 1 1 20 20 MET C C 20 178.924 178.924 177.868 1.056 18480 845 1 2 . 1 1 20 20 MET CA C 20 60.043 60.043 58.579 1.464 18480 846 1 2 . 1 1 20 20 MET CB C 20 33.527 33.527 31.479 2.048 18480 847 1 2 . 1 1 20 20 MET H H 20 7.644 7.644 7.562 0.082 18480 848 1 2 . 1 1 21 21 ASN N N 21 116.213 116.213 120.346 -4.133 18480 849 1 2 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.481 -0.028 18480 850 1 2 . 1 1 21 21 ASN C C 21 178.249 178.249 177.895 0.354 18480 851 1 2 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.711 -0.762 18480 852 1 2 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.541 -0.444 18480 853 1 2 . 1 1 21 21 ASN H H 21 8.169 8.169 8.108 0.061 18480 854 1 2 . 1 1 22 22 SER N N 22 117.086 117.086 116.355 0.731 18480 855 1 2 . 1 1 22 22 SER HA H 22 4.152 4.152 4.173 -0.021 18480 856 1 2 . 1 1 22 22 SER C C 22 178.143 178.143 176.049 2.094 18480 857 1 2 . 1 1 22 22 SER CA C 22 62.154 62.154 61.759 0.395 18480 858 1 2 . 1 1 22 22 SER CB C 22 62.709 62.709 62.961 -0.252 18480 859 1 2 . 1 1 22 22 SER H H 22 8.650 8.650 8.392 0.258 18480 860 1 2 . 1 1 23 23 PHE N N 23 124.044 124.044 124.433 -0.389 18480 861 1 2 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.161 -0.293 18480 862 1 2 . 1 1 23 23 PHE C C 23 175.652 175.652 176.847 -1.195 18480 863 1 2 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.948 1.170 18480 864 1 2 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.180 -0.930 18480 865 1 2 . 1 1 23 23 PHE H H 23 8.394 8.394 7.789 0.605 18480 866 1 2 . 1 1 24 24 MET N N 24 117.794 117.794 116.216 1.578 18480 867 1 2 . 1 1 24 24 MET HA H 24 4.177 4.177 3.790 0.387 18480 868 1 2 . 1 1 24 24 MET C C 24 179.797 179.797 178.644 1.153 18480 869 1 2 . 1 1 24 24 MET CA C 24 56.498 56.498 56.688 -0.190 18480 870 1 2 . 1 1 24 24 MET CB C 24 31.903 31.903 30.958 0.945 18480 871 1 2 . 1 1 24 24 MET H H 24 7.781 7.781 7.864 -0.083 18480 872 1 2 . 1 1 25 25 GLN N N 25 119.477 119.477 118.154 1.323 18480 873 1 2 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.075 -0.111 18480 874 1 2 . 1 1 25 25 GLN C C 25 179.870 179.870 178.076 1.794 18480 875 1 2 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.434 0.314 18480 876 1 2 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.220 0.164 18480 877 1 2 . 1 1 25 25 GLN H H 25 8.233 8.233 7.629 0.604 18480 878 1 2 . 1 1 26 26 GLY N N 26 107.052 107.052 104.820 2.232 18480 879 1 2 . 1 1 26 26 GLY C C 26 176.387 176.387 176.298 0.089 18480 880 1 2 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.445 1.228 18480 881 1 2 . 1 1 26 26 GLY H H 26 7.936 7.936 7.528 0.408 18480 882 1 2 . 1 1 27 27 LEU N N 27 122.471 122.471 122.975 -0.504 18480 883 1 2 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.030 -0.312 18480 884 1 2 . 1 1 27 27 LEU C C 27 178.564 178.564 177.789 0.775 18480 885 1 2 . 1 1 27 27 LEU CA C 27 57.193 57.193 55.882 1.311 18480 886 1 2 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.572 0.121 18480 887 1 2 . 1 1 27 27 LEU H H 27 8.157 8.157 7.680 0.477 18480 888 1 2 . 1 1 28 28 SER N N 28 109.215 109.215 115.011 -5.796 18480 889 1 2 . 1 1 28 28 SER HA H 28 4.064 4.064 4.317 -0.253 18480 890 1 2 . 1 1 28 28 SER C C 28 174.421 174.421 174.997 -0.576 18480 891 1 2 . 1 1 28 28 SER CA C 28 61.444 61.444 60.428 1.016 18480 892 1 2 . 1 1 28 28 SER CB C 28 63.210 63.210 62.715 0.494 18480 893 1 2 . 1 1 28 28 SER H H 28 7.469 7.469 8.003 -0.534 18480 894 1 2 . 1 1 29 29 SER N N 29 114.308 114.308 115.769 -1.461 18480 895 1 2 . 1 1 29 29 SER HA H 29 4.667 4.667 4.613 0.054 18480 896 1 2 . 1 1 29 29 SER C C 29 173.970 173.970 173.477 0.493 18480 897 1 2 . 1 1 29 29 SER CA C 29 57.914 57.914 58.127 -0.213 18480 898 1 2 . 1 1 29 29 SER CB C 29 64.359 64.359 63.875 0.484 18480 899 1 2 . 1 1 29 29 SER H H 29 7.383 7.383 7.493 -0.110 18480 900 1 2 . 1 1 30 30 MET N N 30 122.604 122.604 122.291 0.313 18480 901 1 2 . 1 1 30 30 MET HA H 30 4.882 4.882 4.960 -0.078 18480 902 1 2 . 1 1 30 30 MET C C 30 174.195 174.195 175.382 -1.187 18480 903 1 2 . 1 1 30 30 MET CA C 30 53.753 53.753 51.764 1.989 18480 904 1 2 . 1 1 30 30 MET CB C 30 32.013 32.013 32.061 -0.048 18480 905 1 2 . 1 1 30 30 MET H H 30 7.804 7.804 7.647 0.157 18480 906 1 2 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.508 0.158 18480 907 1 2 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.460 -0.763 18480 908 1 2 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.148 0.805 18480 909 1 2 . 1 1 32 32 GLY N N 32 104.648 104.648 105.880 -1.232 18480 910 1 2 . 1 1 32 32 GLY C C 32 172.454 172.454 173.678 -1.224 18480 911 1 2 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.095 0.326 18480 912 1 2 . 1 1 32 32 GLY H H 32 8.363 8.363 7.989 0.374 18480 913 1 2 . 1 1 33 33 PHE N N 33 116.917 116.917 119.272 -2.355 18480 914 1 2 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.807 0.480 18480 915 1 2 . 1 1 33 33 PHE C C 33 176.387 176.387 174.529 1.858 18480 916 1 2 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.398 -0.496 18480 917 1 2 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.818 0.472 18480 918 1 2 . 1 1 33 33 PHE H H 33 8.118 8.118 7.485 0.633 18480 919 1 2 . 1 1 34 34 THR N N 34 113.457 113.457 113.544 -0.087 18480 920 1 2 . 1 1 34 34 THR HA H 34 4.494 4.494 4.636 -0.142 18480 921 1 2 . 1 1 34 34 THR C C 34 175.066 175.066 175.564 -0.498 18480 922 1 2 . 1 1 34 34 THR CA C 34 59.946 59.946 59.416 0.529 18480 923 1 2 . 1 1 34 34 THR CB C 34 70.967 70.967 71.188 -0.221 18480 924 1 2 . 1 1 34 34 THR H H 34 8.727 8.727 7.955 0.772 18480 925 1 2 . 1 1 35 35 ALA N N 35 122.737 122.737 123.058 -0.321 18480 926 1 2 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.185 -0.100 18480 927 1 2 . 1 1 35 35 ALA C C 35 180.755 180.755 179.906 0.849 18480 928 1 2 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.893 0.630 18480 929 1 2 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.315 -0.245 18480 930 1 2 . 1 1 35 35 ALA H H 35 8.913 8.913 8.652 0.261 18480 931 1 2 . 1 1 36 36 SER N N 36 113.331 113.331 113.175 0.156 18480 932 1 2 . 1 1 36 36 SER HA H 36 4.244 4.244 4.223 0.021 18480 933 1 2 . 1 1 36 36 SER C C 36 177.033 177.033 177.099 -0.066 18480 934 1 2 . 1 1 36 36 SER CA C 36 61.453 61.453 61.516 -0.063 18480 935 1 2 . 1 1 36 36 SER CB C 36 62.529 62.529 62.846 -0.317 18480 936 1 2 . 1 1 36 36 SER H H 36 8.347 8.347 8.092 0.255 18480 937 1 2 . 1 1 37 37 GLN N N 37 122.548 122.548 120.026 2.522 18480 938 1 2 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.229 -0.170 18480 939 1 2 . 1 1 37 37 GLN C C 37 179.149 179.149 178.440 0.709 18480 940 1 2 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.781 1.186 18480 941 1 2 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.692 -0.671 18480 942 1 2 . 1 1 37 37 GLN H H 37 7.500 7.500 7.605 -0.105 18480 943 1 2 . 1 1 38 38 LEU N N 38 117.948 117.948 117.890 0.058 18480 944 1 2 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.231 -0.339 18480 945 1 2 . 1 1 38 38 LEU C C 38 179.675 179.675 178.174 1.501 18480 946 1 2 . 1 1 38 38 LEU CA C 38 57.959 57.959 56.045 1.914 18480 947 1 2 . 1 1 38 38 LEU CB C 38 41.493 41.493 40.893 0.600 18480 948 1 2 . 1 1 38 38 LEU H H 38 8.217 8.217 8.257 -0.040 18480 949 1 2 . 1 1 39 39 ASP N N 39 120.923 120.923 120.742 0.181 18480 950 1 2 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.491 -0.080 18480 951 1 2 . 1 1 39 39 ASP C C 39 179.224 179.224 177.380 1.844 18480 952 1 2 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.277 -0.671 18480 953 1 2 . 1 1 39 39 ASP CB C 39 41.828 41.828 41.313 0.515 18480 954 1 2 . 1 1 39 39 ASP H H 39 8.192 8.192 7.734 0.458 18480 955 1 2 . 1 1 40 40 ASP N N 40 123.608 123.608 120.242 3.366 18480 956 1 2 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.476 -0.259 18480 957 1 2 . 1 1 40 40 ASP C C 40 179.600 179.600 178.465 1.135 18480 958 1 2 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.963 1.677 18480 959 1 2 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.362 -2.050 18480 960 1 2 . 1 1 40 40 ASP H H 40 8.366 8.366 7.656 0.710 18480 961 1 2 . 1 1 41 41 MET N N 41 118.772 118.772 117.109 1.663 18480 962 1 2 . 1 1 41 41 MET HA H 41 3.638 3.638 4.303 -0.665 18480 963 1 2 . 1 1 41 41 MET C C 41 177.693 177.693 178.335 -0.642 18480 964 1 2 . 1 1 41 41 MET CA C 41 60.513 60.513 59.358 1.155 18480 965 1 2 . 1 1 41 41 MET CB C 41 34.320 34.320 32.359 1.961 18480 966 1 2 . 1 1 41 41 MET H H 41 8.423 8.423 8.204 0.219 18480 967 1 2 . 1 1 42 42 SER N N 42 115.040 115.040 116.159 -1.119 18480 968 1 2 . 1 1 42 42 SER HA H 42 4.168 4.168 4.318 -0.150 18480 969 1 2 . 1 1 42 42 SER C C 42 177.483 177.483 176.393 1.090 18480 970 1 2 . 1 1 42 42 SER CA C 42 61.923 61.923 61.483 0.440 18480 971 1 2 . 1 1 42 42 SER CB C 42 63.084 63.084 62.836 0.248 18480 972 1 2 . 1 1 42 42 SER H H 42 8.901 8.901 8.655 0.246 18480 973 1 2 . 1 1 43 43 THR N N 43 118.747 118.747 120.324 -1.577 18480 974 1 2 . 1 1 43 43 THR HA H 43 3.914 3.914 4.059 -0.145 18480 975 1 2 . 1 1 43 43 THR C C 43 177.258 177.258 176.557 0.701 18480 976 1 2 . 1 1 43 43 THR CA C 43 67.017 67.017 66.614 0.403 18480 977 1 2 . 1 1 43 43 THR CB C 43 69.500 69.500 68.715 0.785 18480 978 1 2 . 1 1 43 43 THR H H 43 8.479 8.479 7.660 0.819 18480 979 1 2 . 1 1 44 44 ILE N N 44 121.898 121.898 122.333 -0.435 18480 980 1 2 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.771 -0.068 18480 981 1 2 . 1 1 44 44 ILE C C 44 178.564 178.564 177.480 1.084 18480 982 1 2 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.228 -1.164 18480 983 1 2 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.479 -1.270 18480 984 1 2 . 1 1 44 44 ILE H H 44 7.807 7.807 7.614 0.193 18480 985 1 2 . 1 1 45 45 ALA N N 45 124.002 124.002 122.472 1.530 18480 986 1 2 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.133 -0.091 18480 987 1 2 . 1 1 45 45 ALA C C 45 179.404 179.404 179.244 0.160 18480 988 1 2 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.404 1.137 18480 989 1 2 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.568 -0.110 18480 990 1 2 . 1 1 45 45 ALA H H 45 9.145 9.145 8.221 0.924 18480 991 1 2 . 1 1 46 46 GLN N N 46 115.753 115.753 115.051 0.702 18480 992 1 2 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.182 -0.159 18480 993 1 2 . 1 1 46 46 GLN C C 46 179.014 179.014 178.049 0.965 18480 994 1 2 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.910 1.044 18480 995 1 2 . 1 1 46 46 GLN CB C 46 28.400 28.400 27.959 0.441 18480 996 1 2 . 1 1 46 46 GLN H H 46 8.459 8.459 8.168 0.291 18480 997 1 2 . 1 1 47 47 SER N N 47 116.041 116.041 117.735 -1.694 18480 998 1 2 . 1 1 47 47 SER HA H 47 4.258 4.258 4.338 -0.080 18480 999 1 2 . 1 1 47 47 SER C C 47 177.483 177.483 176.091 1.392 18480 1000 1 2 . 1 1 47 47 SER CA C 47 62.328 62.328 61.617 0.711 18480 1001 1 2 . 1 1 47 47 SER CB C 47 63.154 63.154 63.212 -0.057 18480 1002 1 2 . 1 1 47 47 SER H H 47 7.961 7.961 7.546 0.415 18480 1003 1 2 . 1 1 48 48 MET N N 48 122.349 122.349 120.583 1.766 18480 1004 1 2 . 1 1 48 48 MET HA H 48 4.376 4.376 4.258 0.118 18480 1005 1 2 . 1 1 48 48 MET C C 48 177.798 177.798 178.309 -0.511 18480 1006 1 2 . 1 1 48 48 MET CA C 48 58.198 58.198 57.815 0.384 18480 1007 1 2 . 1 1 48 48 MET CB C 48 32.102 32.102 32.013 0.089 18480 1008 1 2 . 1 1 48 48 MET H H 48 8.508 8.508 8.342 0.166 18480 1009 1 2 . 1 1 49 49 VAL N N 49 122.061 122.061 115.283 6.778 18480 1010 1 2 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.683 -0.241 18480 1011 1 2 . 1 1 49 49 VAL C C 49 177.910 177.910 177.545 0.365 18480 1012 1 2 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.253 1.670 18480 1013 1 2 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.619 1.140 18480 1014 1 2 . 1 1 49 49 VAL H H 49 8.541 8.541 7.578 0.963 18480 1015 1 2 . 1 1 50 50 GLN N N 50 118.465 118.465 120.801 -2.336 18480 1016 1 2 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.002 0.055 18480 1017 1 2 . 1 1 50 50 GLN C C 50 179.449 179.449 178.673 0.776 18480 1018 1 2 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.540 -0.515 18480 1019 1 2 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.396 -0.389 18480 1020 1 2 . 1 1 50 50 GLN H H 50 8.165 8.165 7.772 0.393 18480 1021 1 2 . 1 1 51 51 SER N N 51 117.659 117.659 116.812 0.847 18480 1022 1 2 . 1 1 51 51 SER HA H 51 3.854 3.854 4.218 -0.364 18480 1023 1 2 . 1 1 51 51 SER C C 51 176.374 176.374 176.747 -0.373 18480 1024 1 2 . 1 1 51 51 SER CA C 51 62.642 62.642 61.928 0.714 18480 1025 1 2 . 1 1 51 51 SER CB C 51 63.039 63.039 62.976 0.063 18480 1026 1 2 . 1 1 51 51 SER H H 51 8.199 8.199 7.648 0.551 18480 1027 1 2 . 1 1 52 52 ILE N N 52 122.930 122.930 123.175 -0.245 18480 1028 1 2 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.585 -0.205 18480 1029 1 2 . 1 1 52 52 ILE C C 52 178.684 178.684 177.781 0.903 18480 1030 1 2 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.576 0.739 18480 1031 1 2 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.684 -0.137 18480 1032 1 2 . 1 1 52 52 ILE H H 52 8.068 8.068 8.067 0.001 18480 1033 1 2 . 1 1 53 53 GLN N N 53 118.774 118.774 118.961 -0.187 18480 1034 1 2 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.981 -0.068 18480 1035 1 2 . 1 1 53 53 GLN C C 53 179.014 179.014 178.753 0.261 18480 1036 1 2 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.262 -0.094 18480 1037 1 2 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.528 -0.511 18480 1038 1 2 . 1 1 53 53 GLN H H 53 8.459 8.459 8.352 0.107 18480 1039 1 2 . 1 1 54 54 SER N N 54 115.452 115.452 117.187 -1.735 18480 1040 1 2 . 1 1 54 54 SER HA H 54 4.294 4.294 4.195 0.099 18480 1041 1 2 . 1 1 54 54 SER C C 54 176.822 176.822 176.632 0.190 18480 1042 1 2 . 1 1 54 54 SER CA C 54 61.276 61.276 62.328 -1.052 18480 1043 1 2 . 1 1 54 54 SER CB C 54 62.873 62.873 62.826 0.047 18480 1044 1 2 . 1 1 54 54 SER H H 54 8.330 8.330 8.158 0.172 18480 1045 1 2 . 1 1 55 55 LEU N N 55 121.066 121.066 121.395 -0.329 18480 1046 1 2 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.019 -0.038 18480 1047 1 2 . 1 1 55 55 LEU C C 55 179.434 179.434 178.506 0.928 18480 1048 1 2 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.861 0.115 18480 1049 1 2 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.527 1.079 18480 1050 1 2 . 1 1 55 55 LEU H H 55 8.211 8.211 8.280 -0.069 18480 1051 1 2 . 1 1 56 56 ALA N N 56 122.497 122.497 122.467 0.030 18480 1052 1 2 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.139 0.010 18480 1053 1 2 . 1 1 56 56 ALA C C 56 180.530 180.530 180.160 0.370 18480 1054 1 2 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.620 0.449 18480 1055 1 2 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.229 -0.267 18480 1056 1 2 . 1 1 56 56 ALA H H 56 8.902 8.902 8.053 0.849 18480 1057 1 2 . 1 1 57 57 ALA N N 57 122.922 122.922 120.254 2.668 18480 1058 1 2 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.162 -0.005 18480 1059 1 2 . 1 1 57 57 ALA C C 57 179.344 179.344 178.570 0.774 18480 1060 1 2 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.261 0.737 18480 1061 1 2 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.596 -0.567 18480 1062 1 2 . 1 1 57 57 ALA H H 57 8.140 8.140 8.250 -0.110 18480 1063 1 2 . 1 1 58 58 GLN N N 58 113.359 113.359 115.795 -2.436 18480 1064 1 2 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.452 -0.090 18480 1065 1 2 . 1 1 58 58 GLN C C 58 176.612 176.612 175.971 0.641 18480 1066 1 2 . 1 1 58 58 GLN CA C 58 55.598 55.598 54.606 0.992 18480 1067 1 2 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.527 1.548 18480 1068 1 2 . 1 1 58 58 GLN H H 58 7.415 7.415 7.302 0.113 18480 1069 1 2 . 1 1 59 59 GLY N N 59 109.012 109.012 107.788 1.224 18480 1070 1 2 . 1 1 59 59 GLY C C 59 174.856 174.856 174.852 0.004 18480 1071 1 2 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.743 1.018 18480 1072 1 2 . 1 1 59 59 GLY H H 59 7.979 7.979 7.611 0.368 18480 1073 1 2 . 1 1 60 60 ARG N N 60 115.906 115.906 118.446 -2.540 18480 1074 1 2 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.517 0.085 18480 1075 1 2 . 1 1 60 60 ARG C C 60 175.847 175.847 174.943 0.904 18480 1076 1 2 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.766 1.042 18480 1077 1 2 . 1 1 60 60 ARG CB C 60 32.406 32.406 31.023 1.383 18480 1078 1 2 . 1 1 60 60 ARG H H 60 8.126 8.126 8.376 -0.250 18480 1079 1 2 . 1 1 61 61 THR N N 61 107.985 107.985 112.038 -4.053 18480 1080 1 2 . 1 1 61 61 THR HA H 61 4.125 4.125 4.485 -0.360 18480 1081 1 2 . 1 1 61 61 THR C C 61 173.654 173.654 173.961 -0.307 18480 1082 1 2 . 1 1 61 61 THR CA C 61 62.194 62.194 61.073 1.121 18480 1083 1 2 . 1 1 61 61 THR CB C 61 69.512 69.512 69.697 -0.185 18480 1084 1 2 . 1 1 61 61 THR H H 61 7.663 7.663 7.720 -0.057 18480 1085 1 2 . 1 1 62 62 SER N N 62 113.733 113.733 119.029 -5.296 18480 1086 1 2 . 1 1 62 62 SER HA H 62 4.973 4.973 4.977 -0.004 18480 1087 1 2 . 1 1 62 62 SER C C 62 173.207 173.207 173.156 0.051 18480 1088 1 2 . 1 1 62 62 SER CA C 62 56.343 56.343 54.499 1.844 18480 1089 1 2 . 1 1 62 62 SER CB C 62 63.992 63.992 64.810 -0.818 18480 1090 1 2 . 1 1 62 62 SER H H 62 7.057 7.057 8.105 -1.048 18480 1091 1 2 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.780 -0.078 18480 1092 1 2 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.243 1.058 18480 1093 1 2 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.075 0.161 18480 1094 1 2 . 1 1 64 64 ASN N N 64 114.886 114.886 117.982 -3.096 18480 1095 1 2 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.447 -0.045 18480 1096 1 2 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.395 -0.144 18480 1097 1 2 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.760 0.277 18480 1098 1 2 . 1 1 64 64 ASN H H 64 8.642 8.642 8.754 -0.112 18480 1099 1 2 . 1 1 65 65 LYS N N 65 119.774 119.774 121.022 -1.248 18480 1100 1 2 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.030 -0.224 18480 1101 1 2 . 1 1 65 65 LYS C C 65 178.999 178.999 179.139 -0.140 18480 1102 1 2 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.343 1.535 18480 1103 1 2 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.450 0.787 18480 1104 1 2 . 1 1 65 65 LYS H H 65 7.882 7.882 7.430 0.452 18480 1105 1 2 . 1 1 66 66 LEU N N 66 117.686 117.686 119.667 -1.981 18480 1106 1 2 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.919 0.103 18480 1107 1 2 . 1 1 66 66 LEU C C 66 178.928 178.928 178.894 0.034 18480 1108 1 2 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.690 0.227 18480 1109 1 2 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.620 -0.087 18480 1110 1 2 . 1 1 66 66 LEU H H 66 8.666 8.666 8.178 0.488 18480 1111 1 2 . 1 1 67 67 GLN N N 67 124.469 124.469 118.832 5.637 18480 1112 1 2 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.414 -0.122 18480 1113 1 2 . 1 1 67 67 GLN C C 67 178.789 178.789 178.049 0.740 18480 1114 1 2 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.592 1.299 18480 1115 1 2 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.054 0.105 18480 1116 1 2 . 1 1 67 67 GLN H H 67 8.997 8.997 8.011 0.986 18480 1117 1 2 . 1 1 68 68 ALA N N 68 121.986 121.986 122.206 -0.220 18480 1118 1 2 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.002 -0.192 18480 1119 1 2 . 1 1 68 68 ALA C C 68 180.320 180.320 179.640 0.680 18480 1120 1 2 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.860 0.643 18480 1121 1 2 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.182 0.030 18480 1122 1 2 . 1 1 68 68 ALA H H 68 7.427 7.427 7.907 -0.480 18480 1123 1 2 . 1 1 69 69 LEU N N 69 118.881 118.881 116.489 2.392 18480 1124 1 2 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.027 0.025 18480 1125 1 2 . 1 1 69 69 LEU C C 69 178.864 178.864 178.855 0.009 18480 1126 1 2 . 1 1 69 69 LEU CA C 69 57.747 57.747 56.946 0.801 18480 1127 1 2 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.193 0.701 18480 1128 1 2 . 1 1 69 69 LEU H H 69 8.143 8.143 8.050 0.093 18480 1129 1 2 . 1 1 70 70 ASN N N 70 119.848 119.848 118.795 1.053 18480 1130 1 2 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.468 -0.077 18480 1131 1 2 . 1 1 70 70 ASN C C 70 177.483 177.483 177.289 0.194 18480 1132 1 2 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.296 1.488 18480 1133 1 2 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.602 0.869 18480 1134 1 2 . 1 1 70 70 ASN H H 70 8.456 8.456 7.802 0.654 18480 1135 1 2 . 1 1 71 71 MET N N 71 118.843 118.843 118.927 -0.084 18480 1136 1 2 . 1 1 71 71 MET HA H 71 4.769 4.769 4.467 0.302 18480 1137 1 2 . 1 1 71 71 MET C C 71 178.279 178.279 178.516 -0.237 18480 1138 1 2 . 1 1 71 71 MET CA C 71 56.415 56.415 56.932 -0.517 18480 1139 1 2 . 1 1 71 71 MET CB C 71 29.788 29.788 31.576 -1.788 18480 1140 1 2 . 1 1 71 71 MET H H 71 7.757 7.757 7.605 0.152 18480 1141 1 2 . 1 1 72 72 ALA N N 72 126.265 126.265 123.312 2.953 18480 1142 1 2 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.184 0.058 18480 1143 1 2 . 1 1 72 72 ALA C C 72 179.059 179.059 179.264 -0.205 18480 1144 1 2 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.005 0.121 18480 1145 1 2 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.160 0.763 18480 1146 1 2 . 1 1 72 72 ALA H H 72 8.559 8.559 8.696 -0.137 18480 1147 1 2 . 1 1 73 73 PHE N N 73 118.887 118.887 120.222 -1.335 18480 1148 1 2 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.438 -0.375 18480 1149 1 2 . 1 1 73 73 PHE C C 73 177.258 177.258 177.110 0.148 18480 1150 1 2 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.322 0.750 18480 1151 1 2 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.246 0.059 18480 1152 1 2 . 1 1 73 73 PHE H H 73 8.337 8.337 7.638 0.699 18480 1153 1 2 . 1 1 74 74 ALA N N 74 122.360 122.360 121.549 0.811 18480 1154 1 2 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.716 -0.485 18480 1155 1 2 . 1 1 74 74 ALA C C 74 179.374 179.374 179.496 -0.122 18480 1156 1 2 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.110 0.706 18480 1157 1 2 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.357 0.524 18480 1158 1 2 . 1 1 74 74 ALA H H 74 8.540 8.540 8.431 0.109 18480 1159 1 2 . 1 1 75 75 SER N N 75 112.265 112.265 114.102 -1.837 18480 1160 1 2 . 1 1 75 75 SER HA H 75 3.858 3.858 4.274 -0.416 18480 1161 1 2 . 1 1 75 75 SER CA C 75 62.251 62.251 61.792 0.459 18480 1162 1 2 . 1 1 75 75 SER CB C 75 62.874 62.874 63.043 -0.169 18480 1163 1 2 . 1 1 75 75 SER H H 75 8.859 8.859 8.566 0.293 18480 1164 1 2 . 1 1 76 76 SER N N 76 118.859 118.859 119.198 -0.339 18480 1165 1 2 . 1 1 76 76 SER HA H 76 3.964 3.964 4.224 -0.260 18480 1166 1 2 . 1 1 76 76 SER CA C 76 63.066 63.066 61.010 2.056 18480 1167 1 2 . 1 1 76 76 SER CB C 76 63.377 63.377 62.999 0.378 18480 1168 1 2 . 1 1 76 76 SER H H 76 8.065 8.065 7.542 0.523 18480 1169 1 2 . 1 1 77 77 MET N N 77 120.030 120.030 120.853 -0.823 18480 1170 1 2 . 1 1 77 77 MET HA H 77 4.234 4.234 4.196 0.038 18480 1171 1 2 . 1 1 77 77 MET C C 77 178.354 178.354 178.522 -0.168 18480 1172 1 2 . 1 1 77 77 MET CA C 77 57.167 57.167 56.802 0.365 18480 1173 1 2 . 1 1 77 77 MET CB C 77 32.728 32.728 30.956 1.772 18480 1174 1 2 . 1 1 77 77 MET H H 77 7.397 7.397 8.060 -0.663 18480 1175 1 2 . 1 1 78 78 ALA N N 78 119.880 119.880 121.953 -2.073 18480 1176 1 2 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.095 -0.192 18480 1177 1 2 . 1 1 78 78 ALA C C 78 178.354 178.354 179.512 -1.158 18480 1178 1 2 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.357 -0.217 18480 1179 1 2 . 1 1 78 78 ALA CB C 78 19.101 19.101 17.975 1.126 18480 1180 1 2 . 1 1 78 78 ALA H H 78 7.908 7.908 7.965 -0.057 18480 1181 1 2 . 1 1 79 79 GLU N N 79 117.907 117.907 119.760 -1.853 18480 1182 1 2 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.578 0.361 18480 1183 1 2 . 1 1 79 79 GLU C C 79 178.894 178.894 178.944 -0.050 18480 1184 1 2 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.356 0.344 18480 1185 1 2 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.331 0.316 18480 1186 1 2 . 1 1 79 79 GLU H H 79 8.576 8.576 7.728 0.848 18480 1187 1 2 . 1 1 80 80 ILE N N 80 121.918 121.918 118.922 2.996 18480 1188 1 2 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.694 -0.092 18480 1189 1 2 . 1 1 80 80 ILE C C 80 179.014 179.014 178.156 0.858 18480 1190 1 2 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.887 0.244 18480 1191 1 2 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.845 -0.220 18480 1192 1 2 . 1 1 80 80 ILE H H 80 8.065 8.065 8.028 0.037 18480 1193 1 2 . 1 1 81 81 ALA N N 81 120.266 120.266 122.087 -1.821 18480 1194 1 2 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.040 0.108 18480 1195 1 2 . 1 1 81 81 ALA C C 81 177.258 177.258 179.305 -2.047 18480 1196 1 2 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.769 0.371 18480 1197 1 2 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.613 0.542 18480 1198 1 2 . 1 1 81 81 ALA H H 81 8.169 8.169 7.996 0.173 18480 1199 1 2 . 1 1 82 82 ALA N N 82 114.813 114.813 121.617 -6.804 18480 1200 1 2 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.910 0.141 18480 1201 1 2 . 1 1 82 82 ALA C C 82 177.693 177.693 179.451 -1.758 18480 1202 1 2 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.099 -1.332 18480 1203 1 2 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.268 2.731 18480 1204 1 2 . 1 1 82 82 ALA H H 82 8.019 8.019 8.553 -0.534 18480 1205 1 2 . 1 1 83 83 SER N N 83 110.140 110.140 114.392 -4.252 18480 1206 1 2 . 1 1 83 83 SER HA H 83 4.415 4.415 4.268 0.147 18480 1207 1 2 . 1 1 83 83 SER C C 83 174.856 174.856 175.448 -0.592 18480 1208 1 2 . 1 1 83 83 SER CA C 83 59.772 59.772 60.200 -0.428 18480 1209 1 2 . 1 1 83 83 SER CB C 83 64.952 64.952 63.517 1.435 18480 1210 1 2 . 1 1 83 83 SER H H 83 7.823 7.823 7.674 0.149 18480 1211 1 2 . 1 1 84 84 GLU N N 84 120.696 120.696 121.389 -0.693 18480 1212 1 2 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.203 0.298 18480 1213 1 2 . 1 1 84 84 GLU C C 84 176.597 176.597 176.828 -0.231 18480 1214 1 2 . 1 1 84 84 GLU CA C 84 56.596 56.596 57.225 -0.629 18480 1215 1 2 . 1 1 84 84 GLU CB C 84 28.537 28.537 29.800 -1.263 18480 1216 1 2 . 1 1 84 84 GLU H H 84 7.666 7.666 7.793 -0.127 18480 1217 1 2 . 1 1 85 85 GLU N N 85 124.951 124.951 124.957 -0.006 18480 1218 1 2 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.100 0.162 18480 1219 1 2 . 1 1 85 85 GLU C C 85 177.258 177.258 177.682 -0.424 18480 1220 1 2 . 1 1 85 85 GLU CA C 85 56.845 56.845 57.581 -0.736 18480 1221 1 2 . 1 1 85 85 GLU CB C 85 30.803 30.803 30.541 0.262 18480 1222 1 2 . 1 1 85 85 GLU H H 85 8.735 8.735 8.641 0.094 18480 1223 1 2 . 1 1 86 86 GLY N N 86 110.356 110.356 110.634 -0.278 18480 1224 1 2 . 1 1 86 86 GLY C C 86 174.856 174.856 175.462 -0.606 18480 1225 1 2 . 1 1 86 86 GLY CA C 86 44.390 44.390 46.357 -1.967 18480 1226 1 2 . 1 1 86 86 GLY H H 86 8.609 8.609 8.246 0.363 18480 1227 1 2 . 1 1 87 87 GLY N N 87 107.569 107.569 113.056 -5.487 18480 1228 1 2 . 1 1 87 87 GLY C C 87 174.436 174.436 174.273 0.163 18480 1229 1 2 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.578 -0.318 18480 1230 1 2 . 1 1 87 87 GLY H H 87 7.931 7.931 8.334 -0.403 18480 1231 1 2 . 1 1 88 88 GLY N N 88 109.889 109.889 107.826 2.063 18480 1232 1 2 . 1 1 88 88 GLY C C 88 173.325 173.325 172.751 0.574 18480 1233 1 2 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.736 1.430 18480 1234 1 2 . 1 1 88 88 GLY H H 88 8.650 8.650 7.692 0.958 18480 1235 1 2 . 1 1 89 89 SER N N 89 114.731 114.731 113.781 0.950 18480 1236 1 2 . 1 1 89 89 SER HA H 89 4.411 4.411 4.704 -0.293 18480 1237 1 2 . 1 1 89 89 SER C C 89 175.066 175.066 175.945 -0.879 18480 1238 1 2 . 1 1 89 89 SER CA C 89 57.363 57.363 56.004 1.359 18480 1239 1 2 . 1 1 89 89 SER CB C 89 62.483 62.483 65.664 -3.181 18480 1240 1 2 . 1 1 89 89 SER H H 89 8.640 8.640 8.213 0.427 18480 1241 1 2 . 1 1 90 90 LEU N N 90 123.210 123.210 122.136 1.074 18480 1242 1 2 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.216 -0.241 18480 1243 1 2 . 1 1 90 90 LEU C C 90 179.434 179.434 177.334 2.100 18480 1244 1 2 . 1 1 90 90 LEU CA C 90 58.343 58.343 57.081 1.262 18480 1245 1 2 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.671 -0.307 18480 1246 1 2 . 1 1 90 90 LEU H H 90 8.976 8.976 8.668 0.308 18480 1247 1 2 . 1 1 91 91 SER N N 91 115.789 115.789 112.120 3.669 18480 1248 1 2 . 1 1 91 91 SER HA H 91 4.149 4.149 4.417 -0.268 18480 1249 1 2 . 1 1 91 91 SER C C 91 177.325 177.325 175.874 1.451 18480 1250 1 2 . 1 1 91 91 SER CA C 91 61.794 61.794 60.627 1.167 18480 1251 1 2 . 1 1 91 91 SER CB C 91 62.276 62.276 63.007 -0.731 18480 1252 1 2 . 1 1 91 91 SER H H 91 8.612 8.612 8.233 0.379 18480 1253 1 2 . 1 1 92 92 THR N N 92 122.677 122.677 120.208 2.469 18480 1254 1 2 . 1 1 92 92 THR HA H 92 3.919 3.919 3.965 -0.046 18480 1255 1 2 . 1 1 92 92 THR C C 92 176.162 176.162 176.787 -0.625 18480 1256 1 2 . 1 1 92 92 THR CA C 92 66.719 66.719 66.797 -0.078 18480 1257 1 2 . 1 1 92 92 THR CB C 92 68.236 68.236 68.616 -0.380 18480 1258 1 2 . 1 1 92 92 THR H H 92 7.871 7.871 8.103 -0.232 18480 1259 1 2 . 1 1 93 93 LYS N N 93 119.820 119.820 119.565 0.255 18480 1260 1 2 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.150 -0.581 18480 1261 1 2 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.195 1.457 18480 1262 1 2 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.750 1.978 18480 1263 1 2 . 1 1 93 93 LYS H H 93 8.263 8.263 7.629 0.634 18480 1264 1 2 . 1 1 94 94 THR N N 94 113.759 113.759 116.750 -2.991 18480 1265 1 2 . 1 1 94 94 THR HA H 94 3.692 3.692 4.125 -0.433 18480 1266 1 2 . 1 1 94 94 THR C C 94 177.033 177.033 176.368 0.665 18480 1267 1 2 . 1 1 94 94 THR CA C 94 68.122 68.122 67.615 0.507 18480 1268 1 2 . 1 1 94 94 THR CB C 94 68.342 68.342 68.264 0.078 18480 1269 1 2 . 1 1 94 94 THR H H 94 8.448 8.448 8.158 0.290 18480 1270 1 2 . 1 1 95 95 SER N N 95 117.547 117.547 116.449 1.098 18480 1271 1 2 . 1 1 95 95 SER HA H 95 4.262 4.262 4.208 0.054 18480 1272 1 2 . 1 1 95 95 SER C C 95 177.828 177.828 176.646 1.182 18480 1273 1 2 . 1 1 95 95 SER CA C 95 61.758 61.758 61.267 0.491 18480 1274 1 2 . 1 1 95 95 SER CB C 95 62.667 62.667 62.910 -0.243 18480 1275 1 2 . 1 1 95 95 SER H H 95 8.173 8.173 8.335 -0.162 18480 1276 1 2 . 1 1 96 96 SER N N 96 121.366 121.366 118.387 2.979 18480 1277 1 2 . 1 1 96 96 SER HA H 96 4.035 4.035 4.285 -0.250 18480 1278 1 2 . 1 1 96 96 SER CA C 96 62.467 62.467 62.452 0.015 18480 1279 1 2 . 1 1 96 96 SER CB C 96 61.755 61.755 63.038 -1.283 18480 1280 1 2 . 1 1 96 96 SER H H 96 8.830 8.830 8.071 0.759 18480 1281 1 2 . 1 1 97 97 ILE N N 97 121.943 121.943 121.933 0.010 18480 1282 1 2 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.859 -0.050 18480 1283 1 2 . 1 1 97 97 ILE C C 97 177.693 177.693 177.860 -0.167 18480 1284 1 2 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.367 0.675 18480 1285 1 2 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.834 -0.298 18480 1286 1 2 . 1 1 97 97 ILE H H 97 8.380 8.380 7.755 0.625 18480 1287 1 2 . 1 1 98 98 ALA N N 98 122.507 122.507 122.713 -0.206 18480 1288 1 2 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.042 -0.002 18480 1289 1 2 . 1 1 98 98 ALA C C 98 180.740 180.740 179.551 1.189 18480 1290 1 2 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.495 0.893 18480 1291 1 2 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.095 0.059 18480 1292 1 2 . 1 1 98 98 ALA H H 98 8.624 8.624 8.019 0.605 18480 1293 1 2 . 1 1 99 99 SER N N 99 115.850 115.850 113.939 1.911 18480 1294 1 2 . 1 1 99 99 SER HA H 99 4.325 4.325 4.377 -0.052 18480 1295 1 2 . 1 1 99 99 SER C C 99 177.168 177.168 176.538 0.630 18480 1296 1 2 . 1 1 99 99 SER CA C 99 61.867 61.867 60.789 1.078 18480 1297 1 2 . 1 1 99 99 SER CB C 99 63.200 63.200 63.184 0.016 18480 1298 1 2 . 1 1 99 99 SER H H 99 8.667 8.667 8.374 0.293 18480 1299 1 2 . 1 1 100 100 ALA N N 100 124.410 124.410 124.047 0.363 18480 1300 1 2 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.124 0.018 18480 1301 1 2 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.633 0.755 18480 1302 1 2 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.423 0.204 18480 1303 1 2 . 1 1 100 100 ALA H H 100 8.744 8.744 7.590 1.154 18480 1304 1 2 . 1 1 101 101 MET N N 101 119.346 119.346 118.872 0.474 18480 1305 1 2 . 1 1 101 101 MET HA H 101 4.368 4.368 4.309 0.059 18480 1306 1 2 . 1 1 101 101 MET CA C 101 59.163 59.163 57.427 1.736 18480 1307 1 2 . 1 1 101 101 MET CB C 101 33.233 33.233 32.351 0.882 18480 1308 1 2 . 1 1 101 101 MET H H 101 9.152 9.152 8.603 0.549 18480 1309 1 2 . 1 1 102 102 SER N N 102 117.124 117.124 115.016 2.108 18480 1310 1 2 . 1 1 102 102 SER HA H 102 4.382 4.382 4.444 -0.062 18480 1311 1 2 . 1 1 102 102 SER CA C 102 63.424 63.424 61.668 1.756 18480 1312 1 2 . 1 1 102 102 SER CB C 102 62.639 62.639 62.880 -0.242 18480 1313 1 2 . 1 1 102 102 SER H H 102 8.766 8.766 8.268 0.498 18480 1314 1 2 . 1 1 103 103 ASN N N 103 118.601 118.601 120.719 -2.118 18480 1315 1 2 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.458 0.008 18480 1316 1 2 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.940 0.699 18480 1317 1 2 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.497 -0.190 18480 1318 1 2 . 1 1 103 103 ASN H H 103 8.298 8.298 7.782 0.516 18480 1319 1 2 . 1 1 104 104 ALA N N 104 122.821 122.821 121.643 1.178 18480 1320 1 2 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.893 0.346 18480 1321 1 2 . 1 1 104 104 ALA C C 104 181.701 181.701 179.665 2.036 18480 1322 1 2 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.596 0.676 18480 1323 1 2 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.679 0.495 18480 1324 1 2 . 1 1 104 104 ALA H H 104 7.969 7.969 7.599 0.370 18480 1325 1 2 . 1 1 105 105 PHE N N 105 119.585 119.585 117.170 2.415 18480 1326 1 2 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.531 -0.323 18480 1327 1 2 . 1 1 105 105 PHE C C 105 179.224 179.224 177.930 1.294 18480 1328 1 2 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.317 2.805 18480 1329 1 2 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.014 0.553 18480 1330 1 2 . 1 1 105 105 PHE H H 105 8.647 8.647 7.689 0.958 18480 1331 1 2 . 1 1 106 106 LEU N N 106 121.925 121.925 118.115 3.810 18480 1332 1 2 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.072 -0.373 18480 1333 1 2 . 1 1 106 106 LEU C C 106 179.074 179.074 179.193 -0.119 18480 1334 1 2 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.523 1.532 18480 1335 1 2 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.381 0.081 18480 1336 1 2 . 1 1 106 106 LEU H H 106 8.450 8.450 7.329 1.121 18480 1337 1 2 . 1 1 107 107 GLN N N 107 115.214 115.214 117.659 -2.445 18480 1338 1 2 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.308 -0.206 18480 1339 1 2 . 1 1 107 107 GLN C C 107 176.822 176.822 177.715 -0.893 18480 1340 1 2 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.587 -0.001 18480 1341 1 2 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.644 0.635 18480 1342 1 2 . 1 1 107 107 GLN H H 107 8.444 8.444 7.767 0.677 18480 1343 1 2 . 1 1 108 108 THR N N 108 109.014 109.014 112.763 -3.749 18480 1344 1 2 . 1 1 108 108 THR HA H 108 4.369 4.369 4.239 0.130 18480 1345 1 2 . 1 1 108 108 THR C C 108 175.952 175.952 175.895 0.057 18480 1346 1 2 . 1 1 108 108 THR CA C 108 63.658 63.658 64.824 -1.166 18480 1347 1 2 . 1 1 108 108 THR CB C 108 70.179 70.179 69.062 1.117 18480 1348 1 2 . 1 1 108 108 THR H H 108 7.631 7.631 8.043 -0.412 18480 1349 1 2 . 1 1 109 109 THR N N 109 110.844 110.844 112.907 -2.063 18480 1350 1 2 . 1 1 109 109 THR HA H 109 4.477 4.477 4.499 -0.022 18480 1351 1 2 . 1 1 109 109 THR C C 109 176.162 176.162 175.103 1.059 18480 1352 1 2 . 1 1 109 109 THR CA C 109 61.728 61.728 61.736 -0.007 18480 1353 1 2 . 1 1 109 109 THR CB C 109 70.659 70.659 70.618 0.040 18480 1354 1 2 . 1 1 109 109 THR H H 109 8.623 8.623 7.799 0.824 18480 1355 1 2 . 1 1 110 110 GLY N N 110 109.549 109.549 109.063 0.486 18480 1356 1 2 . 1 1 110 110 GLY C C 110 172.889 172.889 173.095 -0.206 18480 1357 1 2 . 1 1 110 110 GLY CA C 110 45.543 45.543 45.111 0.432 18480 1358 1 2 . 1 1 110 110 GLY H H 110 8.113 8.113 8.439 -0.326 18480 1359 1 2 . 1 1 111 111 VAL N N 111 118.903 118.903 119.886 -0.983 18480 1360 1 2 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.521 -0.265 18480 1361 1 2 . 1 1 111 111 VAL C C 111 174.421 174.421 174.498 -0.077 18480 1362 1 2 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.139 0.622 18480 1363 1 2 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.133 0.377 18480 1364 1 2 . 1 1 111 111 VAL H H 111 7.724 7.724 7.638 0.086 18480 1365 1 2 . 1 1 112 112 VAL N N 112 124.398 124.398 124.004 0.394 18480 1366 1 2 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.062 -0.829 18480 1367 1 2 . 1 1 112 112 VAL C C 112 174.646 174.646 174.749 -0.103 18480 1368 1 2 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.846 2.889 18480 1369 1 2 . 1 1 112 112 VAL CB C 112 32.806 32.806 32.970 -0.164 18480 1370 1 2 . 1 1 112 112 VAL H H 112 8.627 8.627 8.282 0.345 18480 1371 1 2 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.606 -0.037 18480 1372 1 2 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.075 -0.868 18480 1373 1 2 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.956 -0.575 18480 1374 1 2 . 1 1 114 114 GLN N N 114 125.364 125.364 127.199 -1.835 18480 1375 1 2 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.263 -0.323 18480 1376 1 2 . 1 1 114 114 GLN C C 114 174.811 174.811 175.342 -0.531 18480 1377 1 2 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.148 -1.512 18480 1378 1 2 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.549 -1.457 18480 1379 1 2 . 1 1 114 114 GLN H H 114 8.731 8.731 8.756 -0.025 18480 1380 1 2 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.136 0.132 18480 1381 1 2 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.995 0.666 18480 1382 1 2 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.332 -0.135 18480 1383 1 2 . 1 1 116 116 PHE N N 116 118.102 118.102 118.352 -0.250 18480 1384 1 2 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.215 0.046 18480 1385 1 2 . 1 1 116 116 PHE C C 116 176.597 176.597 177.525 -0.928 18480 1386 1 2 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.581 -0.291 18480 1387 1 2 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.343 0.237 18480 1388 1 2 . 1 1 116 116 PHE H H 116 7.712 7.712 8.779 -1.067 18480 1389 1 2 . 1 1 117 117 ILE N N 117 118.950 118.950 117.523 1.427 18480 1390 1 2 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.863 -0.209 18480 1391 1 2 . 1 1 117 117 ILE C C 117 178.789 178.789 178.187 0.602 18480 1392 1 2 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.959 0.681 18480 1393 1 2 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.788 -0.274 18480 1394 1 2 . 1 1 117 117 ILE H H 117 7.747 7.747 7.600 0.147 18480 1395 1 2 . 1 1 118 118 ASN N N 118 119.204 119.204 116.991 2.213 18480 1396 1 2 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.547 -0.180 18480 1397 1 2 . 1 1 118 118 ASN C C 118 177.033 177.033 177.563 -0.530 18480 1398 1 2 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.212 -0.431 18480 1399 1 2 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.846 -1.361 18480 1400 1 2 . 1 1 118 118 ASN H H 118 8.847 8.847 7.788 1.059 18480 1401 1 2 . 1 1 119 119 GLU N N 119 120.684 120.684 120.328 0.356 18480 1402 1 2 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.066 -0.101 18480 1403 1 2 . 1 1 119 119 GLU C C 119 178.564 178.564 178.331 0.233 18480 1404 1 2 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.706 0.408 18480 1405 1 2 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.493 -0.975 18480 1406 1 2 . 1 1 119 119 GLU H H 119 8.081 8.081 7.458 0.623 18480 1407 1 2 . 1 1 120 120 ILE N N 120 118.037 118.037 119.238 -1.201 18480 1408 1 2 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.695 -0.123 18480 1409 1 2 . 1 1 120 120 ILE C C 120 178.279 178.279 178.090 0.189 18480 1410 1 2 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.931 -0.833 18480 1411 1 2 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.604 -1.352 18480 1412 1 2 . 1 1 120 120 ILE H H 120 7.948 7.948 7.357 0.591 18480 1413 1 2 . 1 1 121 121 THR N N 121 113.671 113.671 112.528 1.143 18480 1414 1 2 . 1 1 121 121 THR HA H 121 3.804 3.804 3.971 -0.167 18480 1415 1 2 . 1 1 121 121 THR C C 121 177.258 177.258 176.642 0.616 18480 1416 1 2 . 1 1 121 121 THR CA C 121 66.771 66.771 66.178 0.593 18480 1417 1 2 . 1 1 121 121 THR CB C 121 68.293 68.293 68.495 -0.202 18480 1418 1 2 . 1 1 121 121 THR H H 121 8.345 8.345 7.568 0.777 18480 1419 1 2 . 1 1 122 122 GLN N N 122 121.849 121.849 120.380 1.469 18480 1420 1 2 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.054 -0.055 18480 1421 1 2 . 1 1 122 122 GLN C C 122 179.014 179.014 177.552 1.462 18480 1422 1 2 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.286 0.480 18480 1423 1 2 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.390 0.042 18480 1424 1 2 . 1 1 122 122 GLN H H 122 7.589 7.589 7.803 -0.214 18480 1425 1 2 . 1 1 123 123 LEU N N 123 120.855 120.855 117.919 2.936 18480 1426 1 2 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.919 -0.501 18480 1427 1 2 . 1 1 123 123 LEU C C 123 178.354 178.354 178.610 -0.256 18480 1428 1 2 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.440 0.376 18480 1429 1 2 . 1 1 123 123 LEU CB C 123 40.851 40.851 42.101 -1.250 18480 1430 1 2 . 1 1 123 123 LEU H H 123 8.081 8.081 7.240 0.841 18480 1431 1 2 . 1 1 124 124 VAL N N 124 115.864 115.864 119.614 -3.750 18480 1432 1 2 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.811 -0.461 18480 1433 1 2 . 1 1 124 124 VAL C C 124 177.453 177.453 178.426 -0.973 18480 1434 1 2 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.192 1.281 18480 1435 1 2 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.492 0.114 18480 1436 1 2 . 1 1 124 124 VAL H H 124 7.574 7.574 7.730 -0.156 18480 1437 1 2 . 1 1 125 125 SER N N 125 110.334 110.334 112.941 -2.607 18480 1438 1 2 . 1 1 125 125 SER HA H 125 4.054 4.054 4.270 -0.216 18480 1439 1 2 . 1 1 125 125 SER C C 125 175.937 175.937 175.067 0.870 18480 1440 1 2 . 1 1 125 125 SER CA C 125 61.763 61.763 60.728 1.035 18480 1441 1 2 . 1 1 125 125 SER CB C 125 62.864 62.864 63.284 -0.420 18480 1442 1 2 . 1 1 125 125 SER H H 125 6.950 6.950 8.025 -1.075 18480 1443 1 2 . 1 1 126 126 MET N N 126 121.750 121.750 117.011 4.739 18480 1444 1 2 . 1 1 126 126 MET HA H 126 3.951 3.951 4.499 -0.548 18480 1445 1 2 . 1 1 126 126 MET C C 126 179.254 179.254 177.542 1.712 18480 1446 1 2 . 1 1 126 126 MET CA C 126 59.246 59.246 57.950 1.296 18480 1447 1 2 . 1 1 126 126 MET CB C 126 33.265 33.265 33.185 0.079 18480 1448 1 2 . 1 1 126 126 MET H H 126 8.113 8.113 7.391 0.723 18480 1449 1 2 . 1 1 127 127 PHE N N 127 118.909 118.909 119.682 -0.773 18480 1450 1 2 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.307 0.336 18480 1451 1 2 . 1 1 127 127 PHE C C 127 178.128 178.128 177.449 0.679 18480 1452 1 2 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.417 -3.658 18480 1453 1 2 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.708 -0.647 18480 1454 1 2 . 1 1 127 127 PHE H H 127 8.791 8.791 7.793 0.998 18480 1455 1 2 . 1 1 128 128 ALA N N 128 122.620 122.620 122.262 0.358 18480 1456 1 2 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.041 0.135 18480 1457 1 2 . 1 1 128 128 ALA C C 128 178.789 178.789 179.225 -0.436 18480 1458 1 2 . 1 1 128 128 ALA CA C 128 54.665 54.665 55.066 -0.401 18480 1459 1 2 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.241 0.924 18480 1460 1 2 . 1 1 128 128 ALA H H 128 8.235 8.235 7.636 0.599 18480 1461 1 2 . 1 1 129 129 GLN N N 129 116.507 116.507 117.391 -0.884 18480 1462 1 2 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.177 0.048 18480 1463 1 2 . 1 1 129 129 GLN C C 129 177.258 177.258 177.565 -0.307 18480 1464 1 2 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.806 -0.787 18480 1465 1 2 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.581 0.544 18480 1466 1 2 . 1 1 129 129 GLN H H 129 7.715 7.715 8.027 -0.312 18480 1467 1 2 . 1 1 130 130 ALA N N 130 122.020 122.020 121.048 0.972 18480 1468 1 2 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.271 -0.051 18480 1469 1 2 . 1 1 130 130 ALA C C 130 178.564 178.564 178.686 -0.122 18480 1470 1 2 . 1 1 130 130 ALA CA C 130 53.806 53.806 52.957 0.849 18480 1471 1 2 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.321 -0.361 18480 1472 1 2 . 1 1 130 130 ALA H H 130 7.775 7.775 7.445 0.330 18480 1473 1 2 . 1 1 131 131 GLY N N 131 106.006 106.006 107.269 -1.263 18480 1474 1 2 . 1 1 131 131 GLY C C 131 173.970 173.970 175.119 -1.149 18480 1475 1 2 . 1 1 131 131 GLY CA C 131 46.113 46.113 45.986 0.127 18480 1476 1 2 . 1 1 131 131 GLY H H 131 8.110 8.110 8.192 -0.082 18480 1477 1 2 . 1 1 132 132 MET N N 132 118.637 118.637 115.681 2.956 18480 1478 1 2 . 1 1 132 132 MET HA H 132 4.401 4.401 4.423 -0.022 18480 1479 1 2 . 1 1 132 132 MET C C 132 175.952 175.952 175.963 -0.011 18480 1480 1 2 . 1 1 132 132 MET CA C 132 56.375 56.375 55.623 0.752 18480 1481 1 2 . 1 1 132 132 MET CB C 132 32.939 32.939 30.665 2.274 18480 1482 1 2 . 1 1 132 132 MET H H 132 7.945 7.945 8.370 -0.425 18480 1483 1 2 . 1 1 133 133 ASN N N 133 117.955 117.955 115.824 2.131 18480 1484 1 2 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.599 0.172 18480 1485 1 2 . 1 1 133 133 ASN C C 133 174.646 174.646 175.775 -1.129 18480 1486 1 2 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.924 -0.436 18480 1487 1 2 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.077 1.300 18480 1488 1 2 . 1 1 133 133 ASN H H 133 8.283 8.283 7.776 0.507 18480 1489 1 2 . 1 1 134 134 ASP N N 134 120.891 120.891 121.455 -0.564 18480 1490 1 2 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.603 0.016 18480 1491 1 2 . 1 1 134 134 ASP C C 134 176.162 176.162 176.988 -0.826 18480 1492 1 2 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.249 -0.848 18480 1493 1 2 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.987 -0.814 18480 1494 1 2 . 1 1 134 134 ASP H H 134 8.192 8.192 7.689 0.503 18480 1495 1 2 . 1 1 135 135 VAL N N 135 119.737 119.737 115.329 4.408 18480 1496 1 2 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.629 0.551 18480 1497 1 2 . 1 1 135 135 VAL C C 135 176.162 176.162 175.007 1.155 18480 1498 1 2 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.720 -1.574 18480 1499 1 2 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.865 2.865 18480 1500 1 2 . 1 1 135 135 VAL H H 135 8.056 8.056 7.937 0.119 18480 1501 1 2 . 1 1 136 136 SER N N 136 119.689 119.689 111.247 8.442 18480 1502 1 2 . 1 1 136 136 SER HA H 136 4.427 4.427 4.072 0.355 18480 1503 1 2 . 1 1 136 136 SER C C 136 173.325 173.325 174.496 -1.171 18480 1504 1 2 . 1 1 136 136 SER CA C 136 58.351 58.351 59.651 -1.300 18480 1505 1 2 . 1 1 136 136 SER CB C 136 64.031 64.031 61.187 2.844 18480 1506 1 2 . 1 1 136 136 SER H H 136 8.355 8.355 8.712 -0.357 18480 1507 1 3 . 1 1 3 3 GLY N N 3 110.996 110.996 111.401 -0.405 18480 1508 1 3 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.624 0.852 18480 1509 1 3 . 1 1 3 3 GLY H H 3 8.591 8.591 8.559 0.032 18480 1510 1 3 . 1 1 4 4 ASN N N 4 118.637 118.637 123.586 -4.949 18480 1511 1 3 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.781 -0.053 18480 1512 1 3 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.629 0.541 18480 1513 1 3 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.837 0.227 18480 1514 1 3 . 1 1 4 4 ASN H H 4 8.318 8.318 8.800 -0.482 18480 1515 1 3 . 1 1 5 5 SER N N 5 116.285 116.285 117.299 -1.014 18480 1516 1 3 . 1 1 5 5 SER HA H 5 4.352 4.352 4.422 -0.070 18480 1517 1 3 . 1 1 5 5 SER CA C 5 58.593 58.593 58.559 0.034 18480 1518 1 3 . 1 1 5 5 SER CB C 5 63.633 63.633 63.066 0.567 18480 1519 1 3 . 1 1 5 5 SER H H 5 8.280 8.280 8.664 -0.384 18480 1520 1 3 . 1 1 6 6 HIS N N 6 119.777 119.777 125.031 -5.254 18480 1521 1 3 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.742 -0.004 18480 1522 1 3 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.319 -0.975 18480 1523 1 3 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.788 -1.460 18480 1524 1 3 . 1 1 6 6 HIS H H 6 8.460 8.460 8.557 -0.097 18480 1525 1 3 . 1 1 7 7 THR N N 7 115.111 115.111 111.743 3.368 18480 1526 1 3 . 1 1 7 7 THR HA H 7 4.217 4.217 4.408 -0.191 18480 1527 1 3 . 1 1 7 7 THR C C 7 173.970 173.970 172.566 1.404 18480 1528 1 3 . 1 1 7 7 THR CA C 7 62.118 62.118 61.529 0.589 18480 1529 1 3 . 1 1 7 7 THR CB C 7 69.871 69.871 69.141 0.730 18480 1530 1 3 . 1 1 7 7 THR H H 7 8.202 8.202 7.947 0.255 18480 1531 1 3 . 1 1 8 8 THR N N 8 113.695 113.695 114.895 -1.200 18480 1532 1 3 . 1 1 8 8 THR HA H 8 4.439 4.439 4.419 0.020 18480 1533 1 3 . 1 1 8 8 THR C C 8 172.664 172.664 172.788 -0.124 18480 1534 1 3 . 1 1 8 8 THR CA C 8 58.847 58.847 58.923 -0.076 18480 1535 1 3 . 1 1 8 8 THR CB C 8 62.183 62.183 69.222 -7.039 18480 1536 1 3 . 1 1 8 8 THR H H 8 8.113 8.113 7.793 0.320 18480 1537 1 3 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.301 -0.336 18480 1538 1 3 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.313 -0.877 18480 1539 1 3 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.728 -0.557 18480 1540 1 3 . 1 1 10 10 TRP N N 10 108.872 108.872 112.721 -3.849 18480 1541 1 3 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.975 -0.386 18480 1542 1 3 . 1 1 10 10 TRP C C 10 175.817 175.817 175.855 -0.038 18480 1543 1 3 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.693 0.479 18480 1544 1 3 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.807 -0.832 18480 1545 1 3 . 1 1 10 10 TRP H H 10 6.511 6.511 6.994 -0.483 18480 1546 1 3 . 1 1 11 11 THR N N 11 113.736 113.736 115.814 -2.078 18480 1547 1 3 . 1 1 11 11 THR HA H 11 3.899 3.899 4.217 -0.318 18480 1548 1 3 . 1 1 11 11 THR C C 11 173.970 173.970 174.023 -0.053 18480 1549 1 3 . 1 1 11 11 THR CA C 11 65.731 65.731 63.867 1.864 18480 1550 1 3 . 1 1 11 11 THR CB C 11 69.609 69.609 68.467 1.142 18480 1551 1 3 . 1 1 11 11 THR H H 11 7.310 7.310 7.257 0.053 18480 1552 1 3 . 1 1 12 12 ASN N N 12 112.814 112.814 118.747 -5.933 18480 1553 1 3 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.231 -0.559 18480 1554 1 3 . 1 1 12 12 ASN C C 12 172.889 172.889 173.538 -0.649 18480 1555 1 3 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.682 1.446 18480 1556 1 3 . 1 1 12 12 ASN CB C 12 38.699 38.699 40.021 -1.322 18480 1557 1 3 . 1 1 12 12 ASN H H 12 7.234 7.234 7.615 -0.381 18480 1558 1 3 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.254 -0.172 18480 1559 1 3 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.917 -0.275 18480 1560 1 3 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.940 0.113 18480 1561 1 3 . 1 1 14 14 GLY N N 14 107.424 107.424 104.279 3.145 18480 1562 1 3 . 1 1 14 14 GLY C C 14 175.952 175.952 176.390 -0.438 18480 1563 1 3 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.879 0.311 18480 1564 1 3 . 1 1 14 14 GLY H H 14 8.288 8.288 8.764 -0.476 18480 1565 1 3 . 1 1 15 15 LEU N N 15 122.906 122.906 122.544 0.362 18480 1566 1 3 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.138 -0.108 18480 1567 1 3 . 1 1 15 15 LEU C C 15 178.564 178.564 178.438 0.126 18480 1568 1 3 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.785 1.091 18480 1569 1 3 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.849 0.467 18480 1570 1 3 . 1 1 15 15 LEU H H 15 7.956 7.956 7.529 0.427 18480 1571 1 3 . 1 1 16 16 ALA N N 16 122.949 122.949 122.533 0.416 18480 1572 1 3 . 1 1 16 16 ALA HA H 16 4.105 4.105 3.992 0.113 18480 1573 1 3 . 1 1 16 16 ALA C C 16 179.104 179.104 179.579 -0.475 18480 1574 1 3 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.407 0.573 18480 1575 1 3 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.466 0.669 18480 1576 1 3 . 1 1 16 16 ALA H H 16 7.598 7.598 8.313 -0.715 18480 1577 1 3 . 1 1 17 17 GLU N N 17 116.632 116.632 116.313 0.319 18480 1578 1 3 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.956 -0.136 18480 1579 1 3 . 1 1 17 17 GLU C C 17 177.993 177.993 178.312 -0.319 18480 1580 1 3 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.598 0.451 18480 1581 1 3 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.363 -0.642 18480 1582 1 3 . 1 1 17 17 GLU H H 17 8.097 8.097 8.573 -0.476 18480 1583 1 3 . 1 1 18 18 ASN N N 18 117.645 117.645 119.111 -1.466 18480 1584 1 3 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.457 -0.030 18480 1585 1 3 . 1 1 18 18 ASN C C 18 178.347 178.347 177.193 1.154 18480 1586 1 3 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.656 0.438 18480 1587 1 3 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.369 -0.245 18480 1588 1 3 . 1 1 18 18 ASN H H 18 8.196 8.196 7.487 0.710 18480 1589 1 3 . 1 1 19 19 PHE N N 19 123.188 123.188 121.275 1.913 18480 1590 1 3 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.092 -0.141 18480 1591 1 3 . 1 1 19 19 PHE C C 19 176.837 176.837 177.047 -0.210 18480 1592 1 3 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.487 0.410 18480 1593 1 3 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.950 0.779 18480 1594 1 3 . 1 1 19 19 PHE H H 19 8.868 8.868 8.393 0.475 18480 1595 1 3 . 1 1 20 20 MET N N 20 118.140 118.140 115.420 2.720 18480 1596 1 3 . 1 1 20 20 MET HA H 20 3.303 3.303 3.461 -0.158 18480 1597 1 3 . 1 1 20 20 MET C C 20 178.924 178.924 177.817 1.107 18480 1598 1 3 . 1 1 20 20 MET CA C 20 60.043 60.043 57.557 2.486 18480 1599 1 3 . 1 1 20 20 MET CB C 20 33.527 33.527 31.060 2.467 18480 1600 1 3 . 1 1 20 20 MET H H 20 7.644 7.644 7.701 -0.057 18480 1601 1 3 . 1 1 21 21 ASN N N 21 116.213 116.213 117.863 -1.650 18480 1602 1 3 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.546 -0.093 18480 1603 1 3 . 1 1 21 21 ASN C C 21 178.249 178.249 177.858 0.391 18480 1604 1 3 . 1 1 21 21 ASN CA C 21 55.949 55.949 55.779 0.170 18480 1605 1 3 . 1 1 21 21 ASN CB C 21 38.097 38.097 37.759 0.338 18480 1606 1 3 . 1 1 21 21 ASN H H 21 8.169 8.169 7.778 0.391 18480 1607 1 3 . 1 1 22 22 SER N N 22 117.086 117.086 117.173 -0.087 18480 1608 1 3 . 1 1 22 22 SER HA H 22 4.152 4.152 4.314 -0.162 18480 1609 1 3 . 1 1 22 22 SER C C 22 178.143 178.143 176.167 1.976 18480 1610 1 3 . 1 1 22 22 SER CA C 22 62.154 62.154 61.366 0.788 18480 1611 1 3 . 1 1 22 22 SER CB C 22 62.709 62.709 62.645 0.063 18480 1612 1 3 . 1 1 22 22 SER H H 22 8.650 8.650 8.617 0.033 18480 1613 1 3 . 1 1 23 23 PHE N N 23 124.044 124.044 124.194 -0.150 18480 1614 1 3 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.276 -0.408 18480 1615 1 3 . 1 1 23 23 PHE C C 23 175.652 175.652 176.854 -1.202 18480 1616 1 3 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.580 1.538 18480 1617 1 3 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.316 -1.065 18480 1618 1 3 . 1 1 23 23 PHE H H 23 8.394 8.394 7.624 0.770 18480 1619 1 3 . 1 1 24 24 MET N N 24 117.794 117.794 117.822 -0.028 18480 1620 1 3 . 1 1 24 24 MET HA H 24 4.177 4.177 3.826 0.351 18480 1621 1 3 . 1 1 24 24 MET C C 24 179.797 179.797 178.522 1.275 18480 1622 1 3 . 1 1 24 24 MET CA C 24 56.498 56.498 57.015 -0.517 18480 1623 1 3 . 1 1 24 24 MET CB C 24 31.903 31.903 31.220 0.683 18480 1624 1 3 . 1 1 24 24 MET H H 24 7.781 7.781 8.127 -0.346 18480 1625 1 3 . 1 1 25 25 GLN N N 25 119.477 119.477 118.324 1.153 18480 1626 1 3 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.087 -0.123 18480 1627 1 3 . 1 1 25 25 GLN C C 25 179.870 179.870 177.757 2.113 18480 1628 1 3 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.423 0.325 18480 1629 1 3 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.967 0.417 18480 1630 1 3 . 1 1 25 25 GLN H H 25 8.233 8.233 8.309 -0.076 18480 1631 1 3 . 1 1 26 26 GLY N N 26 107.052 107.052 107.524 -0.472 18480 1632 1 3 . 1 1 26 26 GLY C C 26 176.387 176.387 175.762 0.625 18480 1633 1 3 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.066 1.607 18480 1634 1 3 . 1 1 26 26 GLY H H 26 7.936 7.936 7.591 0.345 18480 1635 1 3 . 1 1 27 27 LEU N N 27 122.471 122.471 123.904 -1.433 18480 1636 1 3 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.885 -0.167 18480 1637 1 3 . 1 1 27 27 LEU C C 27 178.564 178.564 178.527 0.037 18480 1638 1 3 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.505 0.688 18480 1639 1 3 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.398 0.295 18480 1640 1 3 . 1 1 27 27 LEU H H 27 8.157 8.157 8.216 -0.059 18480 1641 1 3 . 1 1 28 28 SER N N 28 109.215 109.215 112.782 -3.567 18480 1642 1 3 . 1 1 28 28 SER HA H 28 4.064 4.064 4.229 -0.165 18480 1643 1 3 . 1 1 28 28 SER C C 28 174.421 174.421 175.386 -0.965 18480 1644 1 3 . 1 1 28 28 SER CA C 28 61.444 61.444 60.301 1.143 18480 1645 1 3 . 1 1 28 28 SER CB C 28 63.210 63.210 63.105 0.105 18480 1646 1 3 . 1 1 28 28 SER H H 28 7.469 7.469 7.998 -0.529 18480 1647 1 3 . 1 1 29 29 SER N N 29 114.308 114.308 114.901 -0.593 18480 1648 1 3 . 1 1 29 29 SER HA H 29 4.667 4.667 4.508 0.159 18480 1649 1 3 . 1 1 29 29 SER C C 29 173.970 173.970 174.132 -0.162 18480 1650 1 3 . 1 1 29 29 SER CA C 29 57.914 57.914 58.337 -0.423 18480 1651 1 3 . 1 1 29 29 SER CB C 29 64.359 64.359 63.711 0.648 18480 1652 1 3 . 1 1 29 29 SER H H 29 7.383 7.383 7.579 -0.196 18480 1653 1 3 . 1 1 30 30 MET N N 30 122.604 122.604 121.780 0.824 18480 1654 1 3 . 1 1 30 30 MET HA H 30 4.882 4.882 4.928 -0.046 18480 1655 1 3 . 1 1 30 30 MET C C 30 174.195 174.195 175.271 -1.076 18480 1656 1 3 . 1 1 30 30 MET CA C 30 53.753 53.753 51.617 2.136 18480 1657 1 3 . 1 1 30 30 MET CB C 30 32.013 32.013 31.947 0.066 18480 1658 1 3 . 1 1 30 30 MET H H 30 7.804 7.804 7.681 0.123 18480 1659 1 3 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.476 0.190 18480 1660 1 3 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.626 -0.929 18480 1661 1 3 . 1 1 31 31 PRO CB C 31 32.953 32.953 31.988 0.965 18480 1662 1 3 . 1 1 32 32 GLY N N 32 104.648 104.648 107.033 -2.385 18480 1663 1 3 . 1 1 32 32 GLY C C 32 172.454 172.454 173.175 -0.721 18480 1664 1 3 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.934 -0.513 18480 1665 1 3 . 1 1 32 32 GLY H H 32 8.363 8.363 7.952 0.411 18480 1666 1 3 . 1 1 33 33 PHE N N 33 116.917 116.917 119.543 -2.626 18480 1667 1 3 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.786 0.501 18480 1668 1 3 . 1 1 33 33 PHE C C 33 176.387 176.387 174.938 1.449 18480 1669 1 3 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.194 -0.292 18480 1670 1 3 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.153 1.137 18480 1671 1 3 . 1 1 33 33 PHE H H 33 8.118 8.118 7.509 0.609 18480 1672 1 3 . 1 1 34 34 THR N N 34 113.457 113.457 114.180 -0.723 18480 1673 1 3 . 1 1 34 34 THR HA H 34 4.494 4.494 4.680 -0.186 18480 1674 1 3 . 1 1 34 34 THR C C 34 175.066 175.066 175.696 -0.630 18480 1675 1 3 . 1 1 34 34 THR CA C 34 59.946 59.946 59.395 0.550 18480 1676 1 3 . 1 1 34 34 THR CB C 34 70.967 70.967 71.114 -0.147 18480 1677 1 3 . 1 1 34 34 THR H H 34 8.727 8.727 8.114 0.613 18480 1678 1 3 . 1 1 35 35 ALA N N 35 122.737 122.737 124.066 -1.329 18480 1679 1 3 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.041 0.044 18480 1680 1 3 . 1 1 35 35 ALA C C 35 180.755 180.755 179.758 0.997 18480 1681 1 3 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.213 0.310 18480 1682 1 3 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.051 0.019 18480 1683 1 3 . 1 1 35 35 ALA H H 35 8.913 8.913 8.617 0.296 18480 1684 1 3 . 1 1 36 36 SER N N 36 113.331 113.331 112.754 0.577 18480 1685 1 3 . 1 1 36 36 SER HA H 36 4.244 4.244 4.165 0.079 18480 1686 1 3 . 1 1 36 36 SER C C 36 177.033 177.033 177.031 0.002 18480 1687 1 3 . 1 1 36 36 SER CA C 36 61.453 61.453 60.829 0.624 18480 1688 1 3 . 1 1 36 36 SER CB C 36 62.529 62.529 62.681 -0.152 18480 1689 1 3 . 1 1 36 36 SER H H 36 8.347 8.347 8.231 0.116 18480 1690 1 3 . 1 1 37 37 GLN N N 37 122.548 122.548 121.174 1.374 18480 1691 1 3 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.216 -0.157 18480 1692 1 3 . 1 1 37 37 GLN C C 37 179.149 179.149 178.667 0.482 18480 1693 1 3 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.798 1.169 18480 1694 1 3 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.799 -0.778 18480 1695 1 3 . 1 1 37 37 GLN H H 37 7.500 7.500 7.602 -0.102 18480 1696 1 3 . 1 1 38 38 LEU N N 38 117.948 117.948 119.557 -1.609 18480 1697 1 3 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.991 -0.099 18480 1698 1 3 . 1 1 38 38 LEU C C 38 179.675 179.675 179.283 0.392 18480 1699 1 3 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.975 -0.016 18480 1700 1 3 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.449 0.044 18480 1701 1 3 . 1 1 38 38 LEU H H 38 8.217 8.217 8.826 -0.609 18480 1702 1 3 . 1 1 39 39 ASP N N 39 120.923 120.923 118.877 2.046 18480 1703 1 3 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.246 0.165 18480 1704 1 3 . 1 1 39 39 ASP C C 39 179.224 179.224 177.667 1.557 18480 1705 1 3 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.889 -0.283 18480 1706 1 3 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.842 0.986 18480 1707 1 3 . 1 1 39 39 ASP H H 39 8.192 8.192 8.175 0.017 18480 1708 1 3 . 1 1 40 40 ASP N N 40 123.608 123.608 118.287 5.321 18480 1709 1 3 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.525 -0.308 18480 1710 1 3 . 1 1 40 40 ASP C C 40 179.600 179.600 178.773 0.827 18480 1711 1 3 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.131 2.509 18480 1712 1 3 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.500 -2.188 18480 1713 1 3 . 1 1 40 40 ASP H H 40 8.366 8.366 7.666 0.700 18480 1714 1 3 . 1 1 41 41 MET N N 41 118.772 118.772 118.259 0.513 18480 1715 1 3 . 1 1 41 41 MET HA H 41 3.638 3.638 4.353 -0.715 18480 1716 1 3 . 1 1 41 41 MET C C 41 177.693 177.693 177.867 -0.174 18480 1717 1 3 . 1 1 41 41 MET CA C 41 60.513 60.513 58.777 1.736 18480 1718 1 3 . 1 1 41 41 MET CB C 41 34.320 34.320 32.286 2.034 18480 1719 1 3 . 1 1 41 41 MET H H 41 8.423 8.423 7.782 0.641 18480 1720 1 3 . 1 1 42 42 SER N N 42 115.040 115.040 116.409 -1.369 18480 1721 1 3 . 1 1 42 42 SER HA H 42 4.168 4.168 4.255 -0.087 18480 1722 1 3 . 1 1 42 42 SER C C 42 177.483 177.483 176.302 1.181 18480 1723 1 3 . 1 1 42 42 SER CA C 42 61.923 61.923 62.227 -0.304 18480 1724 1 3 . 1 1 42 42 SER CB C 42 63.084 63.084 62.709 0.375 18480 1725 1 3 . 1 1 42 42 SER H H 42 8.901 8.901 8.424 0.477 18480 1726 1 3 . 1 1 43 43 THR N N 43 118.747 118.747 119.294 -0.547 18480 1727 1 3 . 1 1 43 43 THR HA H 43 3.914 3.914 4.055 -0.141 18480 1728 1 3 . 1 1 43 43 THR C C 43 177.258 177.258 176.247 1.011 18480 1729 1 3 . 1 1 43 43 THR CA C 43 67.017 67.017 66.279 0.738 18480 1730 1 3 . 1 1 43 43 THR CB C 43 69.500 69.500 68.601 0.899 18480 1731 1 3 . 1 1 43 43 THR H H 43 8.479 8.479 7.586 0.893 18480 1732 1 3 . 1 1 44 44 ILE N N 44 121.898 121.898 121.174 0.724 18480 1733 1 3 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.859 -0.156 18480 1734 1 3 . 1 1 44 44 ILE C C 44 178.564 178.564 177.306 1.258 18480 1735 1 3 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.396 -0.332 18480 1736 1 3 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.388 -1.179 18480 1737 1 3 . 1 1 44 44 ILE H H 44 7.807 7.807 7.624 0.183 18480 1738 1 3 . 1 1 45 45 ALA N N 45 124.002 124.002 123.270 0.732 18480 1739 1 3 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.204 -0.162 18480 1740 1 3 . 1 1 45 45 ALA C C 45 179.404 179.404 179.306 0.098 18480 1741 1 3 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.551 0.990 18480 1742 1 3 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.456 0.003 18480 1743 1 3 . 1 1 45 45 ALA H H 45 9.145 9.145 7.740 1.405 18480 1744 1 3 . 1 1 46 46 GLN N N 46 115.753 115.753 116.022 -0.269 18480 1745 1 3 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.018 0.005 18480 1746 1 3 . 1 1 46 46 GLN C C 46 179.014 179.014 178.076 0.938 18480 1747 1 3 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.172 0.781 18480 1748 1 3 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.352 0.048 18480 1749 1 3 . 1 1 46 46 GLN H H 46 8.459 8.459 8.299 0.160 18480 1750 1 3 . 1 1 47 47 SER N N 47 116.041 116.041 117.304 -1.263 18480 1751 1 3 . 1 1 47 47 SER HA H 47 4.258 4.258 4.249 0.009 18480 1752 1 3 . 1 1 47 47 SER C C 47 177.483 177.483 176.609 0.874 18480 1753 1 3 . 1 1 47 47 SER CA C 47 62.328 62.328 61.437 0.891 18480 1754 1 3 . 1 1 47 47 SER CB C 47 63.154 63.154 63.135 0.020 18480 1755 1 3 . 1 1 47 47 SER H H 47 7.961 7.961 7.716 0.245 18480 1756 1 3 . 1 1 48 48 MET N N 48 122.349 122.349 120.457 1.892 18480 1757 1 3 . 1 1 48 48 MET HA H 48 4.376 4.376 4.235 0.141 18480 1758 1 3 . 1 1 48 48 MET C C 48 177.798 177.798 178.491 -0.693 18480 1759 1 3 . 1 1 48 48 MET CA C 48 58.198 58.198 58.151 0.047 18480 1760 1 3 . 1 1 48 48 MET CB C 48 32.102 32.102 31.907 0.195 18480 1761 1 3 . 1 1 48 48 MET H H 48 8.508 8.508 8.450 0.058 18480 1762 1 3 . 1 1 49 49 VAL N N 49 122.061 122.061 116.596 5.465 18480 1763 1 3 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.669 -0.227 18480 1764 1 3 . 1 1 49 49 VAL C C 49 177.910 177.910 177.698 0.212 18480 1765 1 3 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.481 1.442 18480 1766 1 3 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.721 1.038 18480 1767 1 3 . 1 1 49 49 VAL H H 49 8.541 8.541 7.566 0.975 18480 1768 1 3 . 1 1 50 50 GLN N N 50 118.465 118.465 120.227 -1.762 18480 1769 1 3 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.025 0.032 18480 1770 1 3 . 1 1 50 50 GLN C C 50 179.449 179.449 178.647 0.802 18480 1771 1 3 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.120 -0.095 18480 1772 1 3 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.337 -0.330 18480 1773 1 3 . 1 1 50 50 GLN H H 50 8.165 8.165 8.121 0.044 18480 1774 1 3 . 1 1 51 51 SER N N 51 117.659 117.659 117.739 -0.080 18480 1775 1 3 . 1 1 51 51 SER HA H 51 3.854 3.854 4.195 -0.341 18480 1776 1 3 . 1 1 51 51 SER C C 51 176.374 176.374 176.554 -0.180 18480 1777 1 3 . 1 1 51 51 SER CA C 51 62.642 62.642 62.787 -0.145 18480 1778 1 3 . 1 1 51 51 SER CB C 51 63.039 63.039 62.820 0.219 18480 1779 1 3 . 1 1 51 51 SER H H 51 8.199 8.199 8.272 -0.073 18480 1780 1 3 . 1 1 52 52 ILE N N 52 122.930 122.930 122.748 0.182 18480 1781 1 3 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.564 -0.184 18480 1782 1 3 . 1 1 52 52 ILE C C 52 178.684 178.684 177.865 0.819 18480 1783 1 3 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.520 0.795 18480 1784 1 3 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.719 -0.171 18480 1785 1 3 . 1 1 52 52 ILE H H 52 8.068 8.068 8.359 -0.291 18480 1786 1 3 . 1 1 53 53 GLN N N 53 118.774 118.774 118.875 -0.101 18480 1787 1 3 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.931 -0.018 18480 1788 1 3 . 1 1 53 53 GLN C C 53 179.014 179.014 178.775 0.239 18480 1789 1 3 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.487 -0.319 18480 1790 1 3 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.613 -0.595 18480 1791 1 3 . 1 1 53 53 GLN H H 53 8.459 8.459 8.578 -0.119 18480 1792 1 3 . 1 1 54 54 SER N N 54 115.452 115.452 116.988 -1.536 18480 1793 1 3 . 1 1 54 54 SER HA H 54 4.294 4.294 4.202 0.092 18480 1794 1 3 . 1 1 54 54 SER C C 54 176.822 176.822 176.597 0.225 18480 1795 1 3 . 1 1 54 54 SER CA C 54 61.276 61.276 62.395 -1.119 18480 1796 1 3 . 1 1 54 54 SER CB C 54 62.873 62.873 62.916 -0.043 18480 1797 1 3 . 1 1 54 54 SER H H 54 8.330 8.330 7.914 0.416 18480 1798 1 3 . 1 1 55 55 LEU N N 55 121.066 121.066 121.702 -0.636 18480 1799 1 3 . 1 1 55 55 LEU HA H 55 3.981 3.981 3.987 -0.006 18480 1800 1 3 . 1 1 55 55 LEU C C 55 179.434 179.434 178.406 1.028 18480 1801 1 3 . 1 1 55 55 LEU CA C 55 57.976 57.976 58.028 -0.052 18480 1802 1 3 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.456 1.150 18480 1803 1 3 . 1 1 55 55 LEU H H 55 8.211 8.211 8.429 -0.218 18480 1804 1 3 . 1 1 56 56 ALA N N 56 122.497 122.497 121.927 0.570 18480 1805 1 3 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.220 -0.071 18480 1806 1 3 . 1 1 56 56 ALA C C 56 180.530 180.530 179.650 0.880 18480 1807 1 3 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.456 0.613 18480 1808 1 3 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.403 -0.441 18480 1809 1 3 . 1 1 56 56 ALA H H 56 8.902 8.902 7.996 0.906 18480 1810 1 3 . 1 1 57 57 ALA N N 57 122.922 122.922 120.565 2.357 18480 1811 1 3 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.069 0.088 18480 1812 1 3 . 1 1 57 57 ALA C C 57 179.344 179.344 179.734 -0.390 18480 1813 1 3 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.351 0.647 18480 1814 1 3 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.521 -0.492 18480 1815 1 3 . 1 1 57 57 ALA H H 57 8.140 8.140 7.834 0.306 18480 1816 1 3 . 1 1 58 58 GLN N N 58 113.359 113.359 116.556 -3.197 18480 1817 1 3 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.237 0.125 18480 1818 1 3 . 1 1 58 58 GLN C C 58 176.612 176.612 176.797 -0.185 18480 1819 1 3 . 1 1 58 58 GLN CA C 58 55.598 55.598 56.227 -0.630 18480 1820 1 3 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.415 1.660 18480 1821 1 3 . 1 1 58 58 GLN H H 58 7.415 7.415 7.948 -0.533 18480 1822 1 3 . 1 1 59 59 GLY N N 59 109.012 109.012 106.688 2.324 18480 1823 1 3 . 1 1 59 59 GLY C C 59 174.856 174.856 174.444 0.412 18480 1824 1 3 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.245 1.516 18480 1825 1 3 . 1 1 59 59 GLY H H 59 7.979 7.979 7.659 0.320 18480 1826 1 3 . 1 1 60 60 ARG N N 60 115.906 115.906 117.624 -1.718 18480 1827 1 3 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.620 -0.018 18480 1828 1 3 . 1 1 60 60 ARG C C 60 175.847 175.847 175.331 0.516 18480 1829 1 3 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.558 1.250 18480 1830 1 3 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.990 1.416 18480 1831 1 3 . 1 1 60 60 ARG H H 60 8.126 8.126 8.350 -0.224 18480 1832 1 3 . 1 1 61 61 THR N N 61 107.985 107.985 113.552 -5.567 18480 1833 1 3 . 1 1 61 61 THR HA H 61 4.125 4.125 4.468 -0.343 18480 1834 1 3 . 1 1 61 61 THR C C 61 173.654 173.654 173.781 -0.127 18480 1835 1 3 . 1 1 61 61 THR CA C 61 62.194 62.194 61.276 0.918 18480 1836 1 3 . 1 1 61 61 THR CB C 61 69.512 69.512 69.953 -0.441 18480 1837 1 3 . 1 1 61 61 THR H H 61 7.663 7.663 7.747 -0.084 18480 1838 1 3 . 1 1 62 62 SER N N 62 113.733 113.733 115.855 -2.122 18480 1839 1 3 . 1 1 62 62 SER HA H 62 4.973 4.973 4.778 0.195 18480 1840 1 3 . 1 1 62 62 SER C C 62 173.207 173.207 173.284 -0.077 18480 1841 1 3 . 1 1 62 62 SER CA C 62 56.343 56.343 56.354 -0.011 18480 1842 1 3 . 1 1 62 62 SER CB C 62 63.992 63.992 65.044 -1.052 18480 1843 1 3 . 1 1 62 62 SER H H 62 7.057 7.057 7.731 -0.674 18480 1844 1 3 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.752 -0.050 18480 1845 1 3 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.780 0.520 18480 1846 1 3 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.226 0.010 18480 1847 1 3 . 1 1 64 64 ASN N N 64 114.886 114.886 115.990 -1.104 18480 1848 1 3 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.681 -0.279 18480 1849 1 3 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.858 0.393 18480 1850 1 3 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.846 0.191 18480 1851 1 3 . 1 1 64 64 ASN H H 64 8.642 8.642 8.591 0.051 18480 1852 1 3 . 1 1 65 65 LYS N N 65 119.774 119.774 120.943 -1.169 18480 1853 1 3 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.150 -0.344 18480 1854 1 3 . 1 1 65 65 LYS C C 65 178.999 178.999 177.328 1.671 18480 1855 1 3 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.532 2.346 18480 1856 1 3 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.035 1.202 18480 1857 1 3 . 1 1 65 65 LYS H H 65 7.882 7.882 7.864 0.018 18480 1858 1 3 . 1 1 66 66 LEU N N 66 117.686 117.686 118.763 -1.077 18480 1859 1 3 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.124 -0.102 18480 1860 1 3 . 1 1 66 66 LEU C C 66 178.928 178.928 179.309 -0.381 18480 1861 1 3 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.357 0.560 18480 1862 1 3 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.168 -0.635 18480 1863 1 3 . 1 1 66 66 LEU H H 66 8.666 8.666 8.160 0.506 18480 1864 1 3 . 1 1 67 67 GLN N N 67 124.469 124.469 120.284 4.185 18480 1865 1 3 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.650 -0.358 18480 1866 1 3 . 1 1 67 67 GLN C C 67 178.789 178.789 177.855 0.934 18480 1867 1 3 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.576 1.315 18480 1868 1 3 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.247 -0.088 18480 1869 1 3 . 1 1 67 67 GLN H H 67 8.997 8.997 8.109 0.888 18480 1870 1 3 . 1 1 68 68 ALA N N 68 121.986 121.986 120.194 1.792 18480 1871 1 3 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.237 -0.427 18480 1872 1 3 . 1 1 68 68 ALA C C 68 180.320 180.320 177.955 2.365 18480 1873 1 3 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.509 1.994 18480 1874 1 3 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.318 -0.106 18480 1875 1 3 . 1 1 68 68 ALA H H 68 7.427 7.427 7.693 -0.266 18480 1876 1 3 . 1 1 69 69 LEU N N 69 118.881 118.881 117.107 1.774 18480 1877 1 3 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.523 -0.471 18480 1878 1 3 . 1 1 69 69 LEU C C 69 178.864 178.864 177.054 1.810 18480 1879 1 3 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.319 3.429 18480 1880 1 3 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.200 -0.306 18480 1881 1 3 . 1 1 69 69 LEU H H 69 8.143 8.143 7.334 0.809 18480 1882 1 3 . 1 1 70 70 ASN N N 70 119.848 119.848 120.640 -0.792 18480 1883 1 3 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.548 -0.157 18480 1884 1 3 . 1 1 70 70 ASN C C 70 177.483 177.483 176.937 0.546 18480 1885 1 3 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.744 1.040 18480 1886 1 3 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.009 0.463 18480 1887 1 3 . 1 1 70 70 ASN H H 70 8.456 8.456 8.029 0.427 18480 1888 1 3 . 1 1 71 71 MET N N 71 118.843 118.843 117.900 0.943 18480 1889 1 3 . 1 1 71 71 MET HA H 71 4.769 4.769 4.474 0.295 18480 1890 1 3 . 1 1 71 71 MET C C 71 178.279 178.279 177.836 0.443 18480 1891 1 3 . 1 1 71 71 MET CA C 71 56.415 56.415 56.527 -0.112 18480 1892 1 3 . 1 1 71 71 MET CB C 71 29.788 29.788 31.510 -1.722 18480 1893 1 3 . 1 1 71 71 MET H H 71 7.757 7.757 8.313 -0.556 18480 1894 1 3 . 1 1 72 72 ALA N N 72 126.265 126.265 122.720 3.545 18480 1895 1 3 . 1 1 72 72 ALA HA H 72 4.242 4.242 3.994 0.248 18480 1896 1 3 . 1 1 72 72 ALA C C 72 179.059 179.059 179.150 -0.091 18480 1897 1 3 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.488 -0.362 18480 1898 1 3 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.217 0.706 18480 1899 1 3 . 1 1 72 72 ALA H H 72 8.559 8.559 8.386 0.173 18480 1900 1 3 . 1 1 73 73 PHE N N 73 118.887 118.887 119.857 -0.970 18480 1901 1 3 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.582 -0.519 18480 1902 1 3 . 1 1 73 73 PHE C C 73 177.258 177.258 177.209 0.049 18480 1903 1 3 . 1 1 73 73 PHE CA C 73 61.072 61.072 59.642 1.430 18480 1904 1 3 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.168 0.137 18480 1905 1 3 . 1 1 73 73 PHE H H 73 8.337 8.337 7.438 0.899 18480 1906 1 3 . 1 1 74 74 ALA N N 74 122.360 122.360 122.110 0.250 18480 1907 1 3 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.674 -0.443 18480 1908 1 3 . 1 1 74 74 ALA C C 74 179.374 179.374 179.426 -0.052 18480 1909 1 3 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.842 0.974 18480 1910 1 3 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.239 0.642 18480 1911 1 3 . 1 1 74 74 ALA H H 74 8.540 8.540 8.161 0.379 18480 1912 1 3 . 1 1 75 75 SER N N 75 112.265 112.265 113.926 -1.661 18480 1913 1 3 . 1 1 75 75 SER HA H 75 3.858 3.858 4.223 -0.365 18480 1914 1 3 . 1 1 75 75 SER CA C 75 62.251 62.251 62.398 -0.147 18480 1915 1 3 . 1 1 75 75 SER CB C 75 62.874 62.874 63.420 -0.546 18480 1916 1 3 . 1 1 75 75 SER H H 75 8.859 8.859 8.498 0.361 18480 1917 1 3 . 1 1 76 76 SER N N 76 118.859 118.859 119.055 -0.196 18480 1918 1 3 . 1 1 76 76 SER HA H 76 3.964 3.964 4.692 -0.728 18480 1919 1 3 . 1 1 76 76 SER CA C 76 63.066 63.066 61.044 2.022 18480 1920 1 3 . 1 1 76 76 SER CB C 76 63.377 63.377 63.090 0.287 18480 1921 1 3 . 1 1 76 76 SER H H 76 8.065 8.065 7.591 0.474 18480 1922 1 3 . 1 1 77 77 MET N N 77 120.030 120.030 119.941 0.089 18480 1923 1 3 . 1 1 77 77 MET HA H 77 4.234 4.234 4.334 -0.100 18480 1924 1 3 . 1 1 77 77 MET C C 77 178.354 178.354 178.209 0.145 18480 1925 1 3 . 1 1 77 77 MET CA C 77 57.167 57.167 56.389 0.778 18480 1926 1 3 . 1 1 77 77 MET CB C 77 32.728 32.728 31.041 1.687 18480 1927 1 3 . 1 1 77 77 MET H H 77 7.397 7.397 7.853 -0.456 18480 1928 1 3 . 1 1 78 78 ALA N N 78 119.880 119.880 123.162 -3.282 18480 1929 1 3 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.140 -0.237 18480 1930 1 3 . 1 1 78 78 ALA C C 78 178.354 178.354 179.025 -0.671 18480 1931 1 3 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.222 -0.082 18480 1932 1 3 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.470 0.631 18480 1933 1 3 . 1 1 78 78 ALA H H 78 7.908 7.908 7.682 0.226 18480 1934 1 3 . 1 1 79 79 GLU N N 79 117.907 117.907 118.772 -0.865 18480 1935 1 3 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.908 0.031 18480 1936 1 3 . 1 1 79 79 GLU C C 79 178.894 178.894 178.873 0.021 18480 1937 1 3 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.930 0.770 18480 1938 1 3 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.043 0.604 18480 1939 1 3 . 1 1 79 79 GLU H H 79 8.576 8.576 8.231 0.345 18480 1940 1 3 . 1 1 80 80 ILE N N 80 121.918 121.918 120.783 1.135 18480 1941 1 3 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.628 -0.026 18480 1942 1 3 . 1 1 80 80 ILE C C 80 179.014 179.014 177.741 1.273 18480 1943 1 3 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.619 0.512 18480 1944 1 3 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.810 -0.185 18480 1945 1 3 . 1 1 80 80 ILE H H 80 8.065 8.065 7.359 0.706 18480 1946 1 3 . 1 1 81 81 ALA N N 81 120.266 120.266 122.320 -2.054 18480 1947 1 3 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.206 -0.058 18480 1948 1 3 . 1 1 81 81 ALA C C 81 177.258 177.258 179.308 -2.050 18480 1949 1 3 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.867 0.272 18480 1950 1 3 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.888 0.267 18480 1951 1 3 . 1 1 81 81 ALA H H 81 8.169 8.169 7.799 0.370 18480 1952 1 3 . 1 1 82 82 ALA N N 82 114.813 114.813 118.799 -3.986 18480 1953 1 3 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.091 -0.040 18480 1954 1 3 . 1 1 82 82 ALA C C 82 177.693 177.693 179.451 -1.758 18480 1955 1 3 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.813 -1.046 18480 1956 1 3 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.280 2.719 18480 1957 1 3 . 1 1 82 82 ALA H H 82 8.019 8.019 8.542 -0.523 18480 1958 1 3 . 1 1 83 83 SER N N 83 110.140 110.140 114.183 -4.043 18480 1959 1 3 . 1 1 83 83 SER HA H 83 4.415 4.415 4.326 0.089 18480 1960 1 3 . 1 1 83 83 SER C C 83 174.856 174.856 175.228 -0.372 18480 1961 1 3 . 1 1 83 83 SER CA C 83 59.772 59.772 60.422 -0.650 18480 1962 1 3 . 1 1 83 83 SER CB C 83 64.952 64.952 63.642 1.310 18480 1963 1 3 . 1 1 83 83 SER H H 83 7.823 7.823 7.581 0.242 18480 1964 1 3 . 1 1 84 84 GLU N N 84 120.696 120.696 118.382 2.314 18480 1965 1 3 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.541 -0.040 18480 1966 1 3 . 1 1 84 84 GLU C C 84 176.597 176.597 175.766 0.831 18480 1967 1 3 . 1 1 84 84 GLU CA C 84 56.596 56.596 54.663 1.933 18480 1968 1 3 . 1 1 84 84 GLU CB C 84 28.537 28.537 32.343 -3.806 18480 1969 1 3 . 1 1 84 84 GLU H H 84 7.666 7.666 7.755 -0.089 18480 1970 1 3 . 1 1 85 85 GLU N N 85 124.951 124.951 120.072 4.879 18480 1971 1 3 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.344 -0.082 18480 1972 1 3 . 1 1 85 85 GLU C C 85 177.258 177.258 175.335 1.923 18480 1973 1 3 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.564 2.281 18480 1974 1 3 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.051 -1.248 18480 1975 1 3 . 1 1 85 85 GLU H H 85 8.735 8.735 8.318 0.417 18480 1976 1 3 . 1 1 86 86 GLY N N 86 110.356 110.356 107.629 2.727 18480 1977 1 3 . 1 1 86 86 GLY C C 86 174.856 174.856 174.374 0.482 18480 1978 1 3 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.563 -1.173 18480 1979 1 3 . 1 1 86 86 GLY H H 86 8.609 8.609 8.116 0.493 18480 1980 1 3 . 1 1 87 87 GLY N N 87 107.569 107.569 107.703 -0.134 18480 1981 1 3 . 1 1 87 87 GLY C C 87 174.436 174.436 174.376 0.060 18480 1982 1 3 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.883 -0.623 18480 1983 1 3 . 1 1 87 87 GLY H H 87 7.931 7.931 7.416 0.515 18480 1984 1 3 . 1 1 88 88 GLY N N 88 109.889 109.889 109.349 0.540 18480 1985 1 3 . 1 1 88 88 GLY C C 88 173.325 173.325 174.695 -1.370 18480 1986 1 3 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.564 0.602 18480 1987 1 3 . 1 1 88 88 GLY H H 88 8.650 8.650 7.636 1.014 18480 1988 1 3 . 1 1 89 89 SER N N 89 114.731 114.731 115.847 -1.116 18480 1989 1 3 . 1 1 89 89 SER HA H 89 4.411 4.411 4.390 0.021 18480 1990 1 3 . 1 1 89 89 SER C C 89 175.066 175.066 175.777 -0.711 18480 1991 1 3 . 1 1 89 89 SER CA C 89 57.363 57.363 57.765 -0.402 18480 1992 1 3 . 1 1 89 89 SER CB C 89 62.483 62.483 64.143 -1.660 18480 1993 1 3 . 1 1 89 89 SER H H 89 8.640 8.640 7.865 0.775 18480 1994 1 3 . 1 1 90 90 LEU N N 90 123.210 123.210 124.101 -0.891 18480 1995 1 3 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.055 -0.080 18480 1996 1 3 . 1 1 90 90 LEU C C 90 179.434 179.434 178.030 1.404 18480 1997 1 3 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.202 0.141 18480 1998 1 3 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.429 -0.065 18480 1999 1 3 . 1 1 90 90 LEU H H 90 8.976 8.976 8.659 0.317 18480 2000 1 3 . 1 1 91 91 SER N N 91 115.789 115.789 112.302 3.487 18480 2001 1 3 . 1 1 91 91 SER HA H 91 4.149 4.149 4.175 -0.026 18480 2002 1 3 . 1 1 91 91 SER C C 91 177.325 177.325 176.368 0.957 18480 2003 1 3 . 1 1 91 91 SER CA C 91 61.794 61.794 61.708 0.086 18480 2004 1 3 . 1 1 91 91 SER CB C 91 62.276 62.276 62.062 0.214 18480 2005 1 3 . 1 1 91 91 SER H H 91 8.612 8.612 8.553 0.059 18480 2006 1 3 . 1 1 92 92 THR N N 92 122.677 122.677 119.700 2.977 18480 2007 1 3 . 1 1 92 92 THR HA H 92 3.919 3.919 4.080 -0.161 18480 2008 1 3 . 1 1 92 92 THR C C 92 176.162 176.162 176.831 -0.669 18480 2009 1 3 . 1 1 92 92 THR CA C 92 66.719 66.719 66.543 0.176 18480 2010 1 3 . 1 1 92 92 THR CB C 92 68.236 68.236 68.653 -0.417 18480 2011 1 3 . 1 1 92 92 THR H H 92 7.871 7.871 7.939 -0.068 18480 2012 1 3 . 1 1 93 93 LYS N N 93 119.820 119.820 120.506 -0.686 18480 2013 1 3 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.976 -0.407 18480 2014 1 3 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.412 1.240 18480 2015 1 3 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.689 2.039 18480 2016 1 3 . 1 1 93 93 LYS H H 93 8.263 8.263 8.433 -0.170 18480 2017 1 3 . 1 1 94 94 THR N N 94 113.759 113.759 117.339 -3.580 18480 2018 1 3 . 1 1 94 94 THR HA H 94 3.692 3.692 4.188 -0.496 18480 2019 1 3 . 1 1 94 94 THR C C 94 177.033 177.033 176.631 0.402 18480 2020 1 3 . 1 1 94 94 THR CA C 94 68.122 68.122 66.629 1.493 18480 2021 1 3 . 1 1 94 94 THR CB C 94 68.342 68.342 68.837 -0.495 18480 2022 1 3 . 1 1 94 94 THR H H 94 8.448 8.448 7.757 0.691 18480 2023 1 3 . 1 1 95 95 SER N N 95 117.547 117.547 118.308 -0.761 18480 2024 1 3 . 1 1 95 95 SER HA H 95 4.262 4.262 4.253 0.009 18480 2025 1 3 . 1 1 95 95 SER C C 95 177.828 177.828 176.692 1.136 18480 2026 1 3 . 1 1 95 95 SER CA C 95 61.758 61.758 62.075 -0.317 18480 2027 1 3 . 1 1 95 95 SER CB C 95 62.667 62.667 62.913 -0.246 18480 2028 1 3 . 1 1 95 95 SER H H 95 8.173 8.173 8.120 0.053 18480 2029 1 3 . 1 1 96 96 SER N N 96 121.366 121.366 118.998 2.368 18480 2030 1 3 . 1 1 96 96 SER HA H 96 4.035 4.035 4.276 -0.241 18480 2031 1 3 . 1 1 96 96 SER CA C 96 62.467 62.467 62.471 -0.004 18480 2032 1 3 . 1 1 96 96 SER CB C 96 61.755 61.755 63.087 -1.332 18480 2033 1 3 . 1 1 96 96 SER H H 96 8.830 8.830 8.210 0.620 18480 2034 1 3 . 1 1 97 97 ILE N N 97 121.943 121.943 121.458 0.485 18480 2035 1 3 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.891 -0.082 18480 2036 1 3 . 1 1 97 97 ILE C C 97 177.693 177.693 177.657 0.036 18480 2037 1 3 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.140 0.902 18480 2038 1 3 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.813 -0.277 18480 2039 1 3 . 1 1 97 97 ILE H H 97 8.380 8.380 7.510 0.870 18480 2040 1 3 . 1 1 98 98 ALA N N 98 122.507 122.507 122.717 -0.210 18480 2041 1 3 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.027 0.013 18480 2042 1 3 . 1 1 98 98 ALA C C 98 180.740 180.740 179.755 0.985 18480 2043 1 3 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.657 0.731 18480 2044 1 3 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.040 0.114 18480 2045 1 3 . 1 1 98 98 ALA H H 98 8.624 8.624 8.183 0.441 18480 2046 1 3 . 1 1 99 99 SER N N 99 115.850 115.850 114.868 0.982 18480 2047 1 3 . 1 1 99 99 SER HA H 99 4.325 4.325 4.402 -0.077 18480 2048 1 3 . 1 1 99 99 SER C C 99 177.168 177.168 177.090 0.078 18480 2049 1 3 . 1 1 99 99 SER CA C 99 61.867 61.867 60.886 0.981 18480 2050 1 3 . 1 1 99 99 SER CB C 99 63.200 63.200 62.934 0.266 18480 2051 1 3 . 1 1 99 99 SER H H 99 8.667 8.667 8.230 0.437 18480 2052 1 3 . 1 1 100 100 ALA N N 100 124.410 124.410 126.027 -1.617 18480 2053 1 3 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.646 -0.504 18480 2054 1 3 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.698 0.690 18480 2055 1 3 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.246 0.381 18480 2056 1 3 . 1 1 100 100 ALA H H 100 8.744 8.744 7.867 0.877 18480 2057 1 3 . 1 1 101 101 MET N N 101 119.346 119.346 117.700 1.646 18480 2058 1 3 . 1 1 101 101 MET HA H 101 4.368 4.368 4.413 -0.045 18480 2059 1 3 . 1 1 101 101 MET CA C 101 59.163 59.163 57.699 1.464 18480 2060 1 3 . 1 1 101 101 MET CB C 101 33.233 33.233 32.274 0.959 18480 2061 1 3 . 1 1 101 101 MET H H 101 9.152 9.152 8.783 0.369 18480 2062 1 3 . 1 1 102 102 SER N N 102 117.124 117.124 115.385 1.739 18480 2063 1 3 . 1 1 102 102 SER HA H 102 4.382 4.382 4.620 -0.238 18480 2064 1 3 . 1 1 102 102 SER CA C 102 63.424 63.424 61.836 1.588 18480 2065 1 3 . 1 1 102 102 SER CB C 102 62.639 62.639 62.859 -0.220 18480 2066 1 3 . 1 1 102 102 SER H H 102 8.766 8.766 8.225 0.541 18480 2067 1 3 . 1 1 103 103 ASN N N 103 118.601 118.601 120.233 -1.632 18480 2068 1 3 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.575 -0.109 18480 2069 1 3 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.779 0.860 18480 2070 1 3 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.064 0.243 18480 2071 1 3 . 1 1 103 103 ASN H H 103 8.298 8.298 8.397 -0.099 18480 2072 1 3 . 1 1 104 104 ALA N N 104 122.821 122.821 121.560 1.261 18480 2073 1 3 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.106 0.133 18480 2074 1 3 . 1 1 104 104 ALA C C 104 181.701 181.701 179.295 2.406 18480 2075 1 3 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.378 0.894 18480 2076 1 3 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.189 -0.015 18480 2077 1 3 . 1 1 104 104 ALA H H 104 7.969 7.969 7.535 0.434 18480 2078 1 3 . 1 1 105 105 PHE N N 105 119.585 119.585 118.175 1.410 18480 2079 1 3 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.626 -0.418 18480 2080 1 3 . 1 1 105 105 PHE C C 105 179.224 179.224 178.076 1.148 18480 2081 1 3 . 1 1 105 105 PHE CA C 105 64.122 64.122 60.893 3.229 18480 2082 1 3 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.099 0.468 18480 2083 1 3 . 1 1 105 105 PHE H H 105 8.647 8.647 7.898 0.749 18480 2084 1 3 . 1 1 106 106 LEU N N 106 121.925 121.925 117.548 4.377 18480 2085 1 3 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.237 -0.538 18480 2086 1 3 . 1 1 106 106 LEU C C 106 179.074 179.074 178.892 0.182 18480 2087 1 3 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.785 1.270 18480 2088 1 3 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.117 0.345 18480 2089 1 3 . 1 1 106 106 LEU H H 106 8.450 8.450 7.807 0.643 18480 2090 1 3 . 1 1 107 107 GLN N N 107 115.214 115.214 117.761 -2.547 18480 2091 1 3 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.356 -0.254 18480 2092 1 3 . 1 1 107 107 GLN C C 107 176.822 176.822 177.420 -0.598 18480 2093 1 3 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.951 -0.365 18480 2094 1 3 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.757 0.522 18480 2095 1 3 . 1 1 107 107 GLN H H 107 8.444 8.444 7.772 0.672 18480 2096 1 3 . 1 1 108 108 THR N N 108 109.014 109.014 112.657 -3.643 18480 2097 1 3 . 1 1 108 108 THR HA H 108 4.369 4.369 4.370 -0.001 18480 2098 1 3 . 1 1 108 108 THR C C 108 175.952 175.952 175.977 -0.025 18480 2099 1 3 . 1 1 108 108 THR CA C 108 63.658 63.658 64.579 -0.921 18480 2100 1 3 . 1 1 108 108 THR CB C 108 70.179 70.179 69.252 0.927 18480 2101 1 3 . 1 1 108 108 THR H H 108 7.631 7.631 7.773 -0.142 18480 2102 1 3 . 1 1 109 109 THR N N 109 110.844 110.844 113.845 -3.001 18480 2103 1 3 . 1 1 109 109 THR HA H 109 4.477 4.477 4.436 0.041 18480 2104 1 3 . 1 1 109 109 THR C C 109 176.162 176.162 175.518 0.644 18480 2105 1 3 . 1 1 109 109 THR CA C 109 61.728 61.728 62.392 -0.665 18480 2106 1 3 . 1 1 109 109 THR CB C 109 70.659 70.659 69.765 0.894 18480 2107 1 3 . 1 1 109 109 THR H H 109 8.623 8.623 7.982 0.641 18480 2108 1 3 . 1 1 110 110 GLY N N 110 109.549 109.549 110.241 -0.692 18480 2109 1 3 . 1 1 110 110 GLY C C 110 172.889 172.889 173.216 -0.327 18480 2110 1 3 . 1 1 110 110 GLY CA C 110 45.543 45.543 45.072 0.471 18480 2111 1 3 . 1 1 110 110 GLY H H 110 8.113 8.113 8.443 -0.330 18480 2112 1 3 . 1 1 111 111 VAL N N 111 118.903 118.903 118.868 0.035 18480 2113 1 3 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.386 -0.130 18480 2114 1 3 . 1 1 111 111 VAL C C 111 174.421 174.421 173.938 0.483 18480 2115 1 3 . 1 1 111 111 VAL CA C 111 60.761 60.761 61.417 -0.656 18480 2116 1 3 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.065 0.445 18480 2117 1 3 . 1 1 111 111 VAL H H 111 7.724 7.724 7.621 0.103 18480 2118 1 3 . 1 1 112 112 VAL N N 112 124.398 124.398 124.762 -0.364 18480 2119 1 3 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.292 -1.059 18480 2120 1 3 . 1 1 112 112 VAL C C 112 174.646 174.646 175.162 -0.516 18480 2121 1 3 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.426 3.308 18480 2122 1 3 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.153 -1.347 18480 2123 1 3 . 1 1 112 112 VAL H H 112 8.627 8.627 8.268 0.359 18480 2124 1 3 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.582 -0.013 18480 2125 1 3 . 1 1 113 113 ASN CA C 113 51.207 51.207 54.483 -3.276 18480 2126 1 3 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.641 -0.259 18480 2127 1 3 . 1 1 114 114 GLN N N 114 125.364 125.364 115.653 9.711 18480 2128 1 3 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.527 -0.587 18480 2129 1 3 . 1 1 114 114 GLN C C 114 174.811 174.811 174.382 0.429 18480 2130 1 3 . 1 1 114 114 GLN CA C 114 59.636 59.636 56.676 2.960 18480 2131 1 3 . 1 1 114 114 GLN CB C 114 26.092 26.092 28.267 -2.175 18480 2132 1 3 . 1 1 114 114 GLN H H 114 8.731 8.731 8.245 0.486 18480 2133 1 3 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.596 -0.328 18480 2134 1 3 . 1 1 115 115 PRO CA C 115 66.661 66.661 64.794 1.867 18480 2135 1 3 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.602 -0.404 18480 2136 1 3 . 1 1 116 116 PHE N N 116 118.102 118.102 118.408 -0.306 18480 2137 1 3 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.217 0.044 18480 2138 1 3 . 1 1 116 116 PHE C C 116 176.597 176.597 177.286 -0.689 18480 2139 1 3 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.644 -0.354 18480 2140 1 3 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.229 0.351 18480 2141 1 3 . 1 1 116 116 PHE H H 116 7.712 7.712 8.166 -0.454 18480 2142 1 3 . 1 1 117 117 ILE N N 117 118.950 118.950 117.887 1.063 18480 2143 1 3 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.837 -0.183 18480 2144 1 3 . 1 1 117 117 ILE C C 117 178.789 178.789 177.951 0.838 18480 2145 1 3 . 1 1 117 117 ILE CA C 117 64.640 64.640 62.828 1.812 18480 2146 1 3 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.713 -0.199 18480 2147 1 3 . 1 1 117 117 ILE H H 117 7.747 7.747 8.038 -0.291 18480 2148 1 3 . 1 1 118 118 ASN N N 118 119.204 119.204 119.667 -0.463 18480 2149 1 3 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.430 -0.063 18480 2150 1 3 . 1 1 118 118 ASN C C 118 177.033 177.033 178.010 -0.977 18480 2151 1 3 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.793 -1.012 18480 2152 1 3 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.311 -0.826 18480 2153 1 3 . 1 1 118 118 ASN H H 118 8.847 8.847 7.806 1.041 18480 2154 1 3 . 1 1 119 119 GLU N N 119 120.684 120.684 119.428 1.256 18480 2155 1 3 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.004 -0.039 18480 2156 1 3 . 1 1 119 119 GLU C C 119 178.564 178.564 178.416 0.148 18480 2157 1 3 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.605 0.509 18480 2158 1 3 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.694 -0.176 18480 2159 1 3 . 1 1 119 119 GLU H H 119 8.081 8.081 8.045 0.036 18480 2160 1 3 . 1 1 120 120 ILE N N 120 118.037 118.037 117.846 0.191 18480 2161 1 3 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.788 -0.216 18480 2162 1 3 . 1 1 120 120 ILE C C 120 178.279 178.279 177.924 0.355 18480 2163 1 3 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.114 -1.016 18480 2164 1 3 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.288 -1.036 18480 2165 1 3 . 1 1 120 120 ILE H H 120 7.948 7.948 7.416 0.532 18480 2166 1 3 . 1 1 121 121 THR N N 121 113.671 113.671 111.040 2.631 18480 2167 1 3 . 1 1 121 121 THR HA H 121 3.804 3.804 4.048 -0.244 18480 2168 1 3 . 1 1 121 121 THR C C 121 177.258 177.258 176.691 0.567 18480 2169 1 3 . 1 1 121 121 THR CA C 121 66.771 66.771 65.717 1.054 18480 2170 1 3 . 1 1 121 121 THR CB C 121 68.293 68.293 68.304 -0.011 18480 2171 1 3 . 1 1 121 121 THR H H 121 8.345 8.345 7.728 0.617 18480 2172 1 3 . 1 1 122 122 GLN N N 122 121.849 121.849 121.203 0.646 18480 2173 1 3 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.081 -0.082 18480 2174 1 3 . 1 1 122 122 GLN C C 122 179.014 179.014 178.091 0.923 18480 2175 1 3 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.264 0.502 18480 2176 1 3 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.510 -0.078 18480 2177 1 3 . 1 1 122 122 GLN H H 122 7.589 7.589 7.434 0.155 18480 2178 1 3 . 1 1 123 123 LEU N N 123 120.855 120.855 120.302 0.553 18480 2179 1 3 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.605 -0.187 18480 2180 1 3 . 1 1 123 123 LEU C C 123 178.354 178.354 178.916 -0.562 18480 2181 1 3 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.869 -0.053 18480 2182 1 3 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.752 -0.901 18480 2183 1 3 . 1 1 123 123 LEU H H 123 8.081 8.081 7.612 0.469 18480 2184 1 3 . 1 1 124 124 VAL N N 124 115.864 115.864 115.927 -0.063 18480 2185 1 3 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.834 -0.484 18480 2186 1 3 . 1 1 124 124 VAL C C 124 177.453 177.453 178.257 -0.804 18480 2187 1 3 . 1 1 124 124 VAL CA C 124 67.473 67.473 65.794 1.679 18480 2188 1 3 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.622 -0.016 18480 2189 1 3 . 1 1 124 124 VAL H H 124 7.574 7.574 7.663 -0.089 18480 2190 1 3 . 1 1 125 125 SER N N 125 110.334 110.334 113.054 -2.720 18480 2191 1 3 . 1 1 125 125 SER HA H 125 4.054 4.054 4.325 -0.271 18480 2192 1 3 . 1 1 125 125 SER C C 125 175.937 175.937 175.644 0.293 18480 2193 1 3 . 1 1 125 125 SER CA C 125 61.763 61.763 60.287 1.476 18480 2194 1 3 . 1 1 125 125 SER CB C 125 62.864 62.864 63.368 -0.504 18480 2195 1 3 . 1 1 125 125 SER H H 125 6.950 6.950 7.390 -0.440 18480 2196 1 3 . 1 1 126 126 MET N N 126 121.750 121.750 118.553 3.197 18480 2197 1 3 . 1 1 126 126 MET HA H 126 3.951 3.951 4.412 -0.461 18480 2198 1 3 . 1 1 126 126 MET C C 126 179.254 179.254 177.951 1.303 18480 2199 1 3 . 1 1 126 126 MET CA C 126 59.246 59.246 58.446 0.800 18480 2200 1 3 . 1 1 126 126 MET CB C 126 33.265 33.265 32.620 0.645 18480 2201 1 3 . 1 1 126 126 MET H H 126 8.113 8.113 7.596 0.517 18480 2202 1 3 . 1 1 127 127 PHE N N 127 118.909 118.909 118.763 0.146 18480 2203 1 3 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.288 0.355 18480 2204 1 3 . 1 1 127 127 PHE C C 127 178.128 178.128 177.318 0.810 18480 2205 1 3 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.901 -3.142 18480 2206 1 3 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.295 -0.234 18480 2207 1 3 . 1 1 127 127 PHE H H 127 8.791 8.791 7.811 0.980 18480 2208 1 3 . 1 1 128 128 ALA N N 128 122.620 122.620 122.292 0.328 18480 2209 1 3 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.112 0.064 18480 2210 1 3 . 1 1 128 128 ALA C C 128 178.789 178.789 178.818 -0.029 18480 2211 1 3 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.647 0.018 18480 2212 1 3 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.384 0.781 18480 2213 1 3 . 1 1 128 128 ALA H H 128 8.235 8.235 8.038 0.197 18480 2214 1 3 . 1 1 129 129 GLN N N 129 116.507 116.507 117.139 -0.632 18480 2215 1 3 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.172 0.053 18480 2216 1 3 . 1 1 129 129 GLN C C 129 177.258 177.258 178.297 -1.039 18480 2217 1 3 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.888 -0.870 18480 2218 1 3 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.617 0.508 18480 2219 1 3 . 1 1 129 129 GLN H H 129 7.715 7.715 7.681 0.034 18480 2220 1 3 . 1 1 130 130 ALA N N 130 122.020 122.020 121.188 0.832 18480 2221 1 3 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.182 0.038 18480 2222 1 3 . 1 1 130 130 ALA C C 130 178.564 178.564 178.863 -0.299 18480 2223 1 3 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.317 0.489 18480 2224 1 3 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.058 -0.098 18480 2225 1 3 . 1 1 130 130 ALA H H 130 7.775 7.775 7.380 0.395 18480 2226 1 3 . 1 1 131 131 GLY N N 131 106.006 106.006 106.226 -0.220 18480 2227 1 3 . 1 1 131 131 GLY C C 131 173.970 173.970 175.158 -1.188 18480 2228 1 3 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.273 -0.160 18480 2229 1 3 . 1 1 131 131 GLY H H 131 8.110 8.110 8.356 -0.246 18480 2230 1 3 . 1 1 132 132 MET N N 132 118.637 118.637 115.821 2.816 18480 2231 1 3 . 1 1 132 132 MET HA H 132 4.401 4.401 4.480 -0.079 18480 2232 1 3 . 1 1 132 132 MET C C 132 175.952 175.952 175.990 -0.038 18480 2233 1 3 . 1 1 132 132 MET CA C 132 56.375 56.375 55.204 1.171 18480 2234 1 3 . 1 1 132 132 MET CB C 132 32.939 32.939 30.714 2.225 18480 2235 1 3 . 1 1 132 132 MET H H 132 7.945 7.945 8.200 -0.255 18480 2236 1 3 . 1 1 133 133 ASN N N 133 117.955 117.955 117.050 0.905 18480 2237 1 3 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.547 0.224 18480 2238 1 3 . 1 1 133 133 ASN C C 133 174.646 174.646 175.872 -1.226 18480 2239 1 3 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.300 -0.812 18480 2240 1 3 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.937 1.439 18480 2241 1 3 . 1 1 133 133 ASN H H 133 8.283 8.283 7.857 0.426 18480 2242 1 3 . 1 1 134 134 ASP N N 134 120.891 120.891 121.231 -0.340 18480 2243 1 3 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.579 0.040 18480 2244 1 3 . 1 1 134 134 ASP C C 134 176.162 176.162 176.436 -0.274 18480 2245 1 3 . 1 1 134 134 ASP CA C 134 54.401 54.401 54.551 -0.150 18480 2246 1 3 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.157 -0.984 18480 2247 1 3 . 1 1 134 134 ASP H H 134 8.192 8.192 7.745 0.447 18480 2248 1 3 . 1 1 135 135 VAL N N 135 119.737 119.737 117.518 2.219 18480 2249 1 3 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.813 0.367 18480 2250 1 3 . 1 1 135 135 VAL C C 135 176.162 176.162 176.049 0.113 18480 2251 1 3 . 1 1 135 135 VAL CA C 135 62.146 62.146 62.760 -0.614 18480 2252 1 3 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.233 2.497 18480 2253 1 3 . 1 1 135 135 VAL H H 135 8.056 8.056 7.633 0.423 18480 2254 1 3 . 1 1 136 136 SER N N 136 119.689 119.689 120.877 -1.188 18480 2255 1 3 . 1 1 136 136 SER HA H 136 4.427 4.427 4.485 -0.058 18480 2256 1 3 . 1 1 136 136 SER C C 136 173.325 173.325 174.450 -1.125 18480 2257 1 3 . 1 1 136 136 SER CA C 136 58.351 58.351 58.216 0.135 18480 2258 1 3 . 1 1 136 136 SER CB C 136 64.031 64.031 61.962 2.069 18480 2259 1 3 . 1 1 136 136 SER H H 136 8.355 8.355 8.531 -0.176 18480 2260 1 4 . 1 1 3 3 GLY N N 3 110.996 110.996 111.579 -0.583 18480 2261 1 4 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.400 1.076 18480 2262 1 4 . 1 1 3 3 GLY H H 3 8.591 8.591 8.311 0.280 18480 2263 1 4 . 1 1 4 4 ASN N N 4 118.637 118.637 117.840 0.797 18480 2264 1 4 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.494 0.234 18480 2265 1 4 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.966 0.204 18480 2266 1 4 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.411 0.653 18480 2267 1 4 . 1 1 4 4 ASN H H 4 8.318 8.318 8.359 -0.041 18480 2268 1 4 . 1 1 5 5 SER N N 5 116.285 116.285 115.420 0.865 18480 2269 1 4 . 1 1 5 5 SER HA H 5 4.352 4.352 4.396 -0.044 18480 2270 1 4 . 1 1 5 5 SER CA C 5 58.593 58.593 57.932 0.661 18480 2271 1 4 . 1 1 5 5 SER CB C 5 63.633 63.633 63.941 -0.308 18480 2272 1 4 . 1 1 5 5 SER H H 5 8.280 8.280 7.897 0.383 18480 2273 1 4 . 1 1 6 6 HIS N N 6 119.777 119.777 119.289 0.488 18480 2274 1 4 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.598 0.140 18480 2275 1 4 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.703 -1.359 18480 2276 1 4 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.284 -0.956 18480 2277 1 4 . 1 1 6 6 HIS H H 6 8.460 8.460 8.488 -0.028 18480 2278 1 4 . 1 1 7 7 THR N N 7 115.111 115.111 114.976 0.135 18480 2279 1 4 . 1 1 7 7 THR HA H 7 4.217 4.217 4.508 -0.291 18480 2280 1 4 . 1 1 7 7 THR C C 7 173.970 173.970 173.222 0.748 18480 2281 1 4 . 1 1 7 7 THR CA C 7 62.118 62.118 60.826 1.292 18480 2282 1 4 . 1 1 7 7 THR CB C 7 69.871 69.871 69.610 0.261 18480 2283 1 4 . 1 1 7 7 THR H H 7 8.202 8.202 8.239 -0.037 18480 2284 1 4 . 1 1 8 8 THR N N 8 113.695 113.695 112.795 0.900 18480 2285 1 4 . 1 1 8 8 THR HA H 8 4.439 4.439 4.408 0.031 18480 2286 1 4 . 1 1 8 8 THR C C 8 172.664 172.664 172.927 -0.263 18480 2287 1 4 . 1 1 8 8 THR CA C 8 58.847 58.847 57.636 1.212 18480 2288 1 4 . 1 1 8 8 THR CB C 8 62.183 62.183 69.859 -7.676 18480 2289 1 4 . 1 1 8 8 THR H H 8 8.113 8.113 7.775 0.338 18480 2290 1 4 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.183 -0.218 18480 2291 1 4 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.462 -1.026 18480 2292 1 4 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.646 -0.475 18480 2293 1 4 . 1 1 10 10 TRP N N 10 108.872 108.872 112.485 -3.613 18480 2294 1 4 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.975 -0.386 18480 2295 1 4 . 1 1 10 10 TRP C C 10 175.817 175.817 176.303 -0.486 18480 2296 1 4 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.398 0.775 18480 2297 1 4 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.769 -0.794 18480 2298 1 4 . 1 1 10 10 TRP H H 10 6.511 6.511 6.849 -0.338 18480 2299 1 4 . 1 1 11 11 THR N N 11 113.736 113.736 116.925 -3.189 18480 2300 1 4 . 1 1 11 11 THR HA H 11 3.899 3.899 4.070 -0.171 18480 2301 1 4 . 1 1 11 11 THR C C 11 173.970 173.970 173.589 0.381 18480 2302 1 4 . 1 1 11 11 THR CA C 11 65.731 65.731 65.004 0.727 18480 2303 1 4 . 1 1 11 11 THR CB C 11 69.609 69.609 69.067 0.542 18480 2304 1 4 . 1 1 11 11 THR H H 11 7.310 7.310 7.534 -0.224 18480 2305 1 4 . 1 1 12 12 ASN N N 12 112.814 112.814 115.668 -2.854 18480 2306 1 4 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.189 -0.517 18480 2307 1 4 . 1 1 12 12 ASN C C 12 172.889 172.889 173.642 -0.753 18480 2308 1 4 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.335 1.793 18480 2309 1 4 . 1 1 12 12 ASN CB C 12 38.699 38.699 39.154 -0.455 18480 2310 1 4 . 1 1 12 12 ASN H H 12 7.234 7.234 7.489 -0.255 18480 2311 1 4 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.231 -0.149 18480 2312 1 4 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.595 0.047 18480 2313 1 4 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.910 0.143 18480 2314 1 4 . 1 1 14 14 GLY N N 14 107.424 107.424 106.877 0.547 18480 2315 1 4 . 1 1 14 14 GLY C C 14 175.952 175.952 176.255 -0.303 18480 2316 1 4 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.931 0.259 18480 2317 1 4 . 1 1 14 14 GLY H H 14 8.288 8.288 7.821 0.467 18480 2318 1 4 . 1 1 15 15 LEU N N 15 122.906 122.906 122.482 0.424 18480 2319 1 4 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.010 0.020 18480 2320 1 4 . 1 1 15 15 LEU C C 15 178.564 178.564 179.155 -0.591 18480 2321 1 4 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.348 0.528 18480 2322 1 4 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.649 0.667 18480 2323 1 4 . 1 1 15 15 LEU H H 15 7.956 7.956 8.901 -0.945 18480 2324 1 4 . 1 1 16 16 ALA N N 16 122.949 122.949 121.861 1.088 18480 2325 1 4 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.091 0.014 18480 2326 1 4 . 1 1 16 16 ALA C C 16 179.104 179.104 179.265 -0.161 18480 2327 1 4 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.091 0.889 18480 2328 1 4 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.524 0.611 18480 2329 1 4 . 1 1 16 16 ALA H H 16 7.598 7.598 8.018 -0.420 18480 2330 1 4 . 1 1 17 17 GLU N N 17 116.632 116.632 117.172 -0.540 18480 2331 1 4 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.047 -0.227 18480 2332 1 4 . 1 1 17 17 GLU C C 17 177.993 177.993 178.622 -0.629 18480 2333 1 4 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.498 0.551 18480 2334 1 4 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.511 -0.790 18480 2335 1 4 . 1 1 17 17 GLU H H 17 8.097 8.097 8.095 0.002 18480 2336 1 4 . 1 1 18 18 ASN N N 18 117.645 117.645 119.097 -1.452 18480 2337 1 4 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.577 -0.150 18480 2338 1 4 . 1 1 18 18 ASN C C 18 178.347 178.347 177.152 1.195 18480 2339 1 4 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.935 -0.841 18480 2340 1 4 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.614 -0.490 18480 2341 1 4 . 1 1 18 18 ASN H H 18 8.196 8.196 8.302 -0.106 18480 2342 1 4 . 1 1 19 19 PHE N N 19 123.188 123.188 120.317 2.871 18480 2343 1 4 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.170 -0.219 18480 2344 1 4 . 1 1 19 19 PHE C C 19 176.837 176.837 176.555 0.282 18480 2345 1 4 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.336 0.562 18480 2346 1 4 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.947 0.782 18480 2347 1 4 . 1 1 19 19 PHE H H 19 8.868 8.868 7.991 0.877 18480 2348 1 4 . 1 1 20 20 MET N N 20 118.140 118.140 115.950 2.190 18480 2349 1 4 . 1 1 20 20 MET HA H 20 3.303 3.303 3.738 -0.435 18480 2350 1 4 . 1 1 20 20 MET C C 20 178.924 178.924 177.771 1.153 18480 2351 1 4 . 1 1 20 20 MET CA C 20 60.043 60.043 59.203 0.840 18480 2352 1 4 . 1 1 20 20 MET CB C 20 33.527 33.527 32.354 1.173 18480 2353 1 4 . 1 1 20 20 MET H H 20 7.644 7.644 7.542 0.102 18480 2354 1 4 . 1 1 21 21 ASN N N 21 116.213 116.213 117.483 -1.270 18480 2355 1 4 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.517 -0.064 18480 2356 1 4 . 1 1 21 21 ASN C C 21 178.249 178.249 177.559 0.690 18480 2357 1 4 . 1 1 21 21 ASN CA C 21 55.949 55.949 55.645 0.304 18480 2358 1 4 . 1 1 21 21 ASN CB C 21 38.097 38.097 37.805 0.292 18480 2359 1 4 . 1 1 21 21 ASN H H 21 8.169 8.169 7.950 0.219 18480 2360 1 4 . 1 1 22 22 SER N N 22 117.086 117.086 115.794 1.292 18480 2361 1 4 . 1 1 22 22 SER HA H 22 4.152 4.152 4.315 -0.163 18480 2362 1 4 . 1 1 22 22 SER C C 22 178.143 178.143 174.767 3.376 18480 2363 1 4 . 1 1 22 22 SER CA C 22 62.154 62.154 60.446 1.708 18480 2364 1 4 . 1 1 22 22 SER CB C 22 62.709 62.709 62.961 -0.252 18480 2365 1 4 . 1 1 22 22 SER H H 22 8.650 8.650 8.566 0.084 18480 2366 1 4 . 1 1 23 23 PHE N N 23 124.044 124.044 123.924 0.120 18480 2367 1 4 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.429 -0.561 18480 2368 1 4 . 1 1 23 23 PHE C C 23 175.652 175.652 176.191 -0.539 18480 2369 1 4 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.042 2.075 18480 2370 1 4 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.915 -1.665 18480 2371 1 4 . 1 1 23 23 PHE H H 23 8.394 8.394 7.451 0.943 18480 2372 1 4 . 1 1 24 24 MET N N 24 117.794 117.794 116.818 0.976 18480 2373 1 4 . 1 1 24 24 MET HA H 24 4.177 4.177 3.768 0.409 18480 2374 1 4 . 1 1 24 24 MET C C 24 179.797 179.797 178.233 1.564 18480 2375 1 4 . 1 1 24 24 MET CA C 24 56.498 56.498 56.627 -0.129 18480 2376 1 4 . 1 1 24 24 MET CB C 24 31.903 31.903 31.279 0.624 18480 2377 1 4 . 1 1 24 24 MET H H 24 7.781 7.781 8.276 -0.495 18480 2378 1 4 . 1 1 25 25 GLN N N 25 119.477 119.477 117.385 2.092 18480 2379 1 4 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.189 -0.225 18480 2380 1 4 . 1 1 25 25 GLN C C 25 179.870 179.870 177.934 1.936 18480 2381 1 4 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.150 0.598 18480 2382 1 4 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.658 0.726 18480 2383 1 4 . 1 1 25 25 GLN H H 25 8.233 8.233 7.684 0.549 18480 2384 1 4 . 1 1 26 26 GLY N N 26 107.052 107.052 107.434 -0.382 18480 2385 1 4 . 1 1 26 26 GLY C C 26 176.387 176.387 175.877 0.510 18480 2386 1 4 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.442 1.231 18480 2387 1 4 . 1 1 26 26 GLY H H 26 7.936 7.936 7.745 0.191 18480 2388 1 4 . 1 1 27 27 LEU N N 27 122.471 122.471 123.720 -1.249 18480 2389 1 4 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.062 -0.344 18480 2390 1 4 . 1 1 27 27 LEU C C 27 178.564 178.564 177.967 0.597 18480 2391 1 4 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.346 0.847 18480 2392 1 4 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.606 0.087 18480 2393 1 4 . 1 1 27 27 LEU H H 27 8.157 8.157 7.821 0.336 18480 2394 1 4 . 1 1 28 28 SER N N 28 109.215 109.215 113.020 -3.805 18480 2395 1 4 . 1 1 28 28 SER HA H 28 4.064 4.064 4.274 -0.210 18480 2396 1 4 . 1 1 28 28 SER C C 28 174.421 174.421 175.391 -0.970 18480 2397 1 4 . 1 1 28 28 SER CA C 28 61.444 61.444 60.293 1.151 18480 2398 1 4 . 1 1 28 28 SER CB C 28 63.210 63.210 63.087 0.123 18480 2399 1 4 . 1 1 28 28 SER H H 28 7.469 7.469 7.750 -0.281 18480 2400 1 4 . 1 1 29 29 SER N N 29 114.308 114.308 115.644 -1.336 18480 2401 1 4 . 1 1 29 29 SER HA H 29 4.667 4.667 4.550 0.117 18480 2402 1 4 . 1 1 29 29 SER C C 29 173.970 173.970 174.287 -0.317 18480 2403 1 4 . 1 1 29 29 SER CA C 29 57.914 57.914 58.707 -0.793 18480 2404 1 4 . 1 1 29 29 SER CB C 29 64.359 64.359 63.740 0.619 18480 2405 1 4 . 1 1 29 29 SER H H 29 7.383 7.383 7.517 -0.134 18480 2406 1 4 . 1 1 30 30 MET N N 30 122.604 122.604 122.247 0.357 18480 2407 1 4 . 1 1 30 30 MET HA H 30 4.882 4.882 4.878 0.004 18480 2408 1 4 . 1 1 30 30 MET C C 30 174.195 174.195 175.653 -1.458 18480 2409 1 4 . 1 1 30 30 MET CA C 30 53.753 53.753 51.604 2.149 18480 2410 1 4 . 1 1 30 30 MET CB C 30 32.013 32.013 31.915 0.098 18480 2411 1 4 . 1 1 30 30 MET H H 30 7.804 7.804 7.594 0.210 18480 2412 1 4 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.476 0.190 18480 2413 1 4 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.252 -0.555 18480 2414 1 4 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.222 0.731 18480 2415 1 4 . 1 1 32 32 GLY N N 32 104.648 104.648 105.740 -1.092 18480 2416 1 4 . 1 1 32 32 GLY C C 32 172.454 172.454 173.201 -0.747 18480 2417 1 4 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.724 -0.303 18480 2418 1 4 . 1 1 32 32 GLY H H 32 8.363 8.363 7.954 0.409 18480 2419 1 4 . 1 1 33 33 PHE N N 33 116.917 116.917 118.776 -1.859 18480 2420 1 4 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.944 0.343 18480 2421 1 4 . 1 1 33 33 PHE C C 33 176.387 176.387 174.207 2.180 18480 2422 1 4 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.519 0.383 18480 2423 1 4 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.513 -0.223 18480 2424 1 4 . 1 1 33 33 PHE H H 33 8.118 8.118 7.415 0.703 18480 2425 1 4 . 1 1 34 34 THR N N 34 113.457 113.457 112.950 0.507 18480 2426 1 4 . 1 1 34 34 THR HA H 34 4.494 4.494 4.695 -0.201 18480 2427 1 4 . 1 1 34 34 THR C C 34 175.066 175.066 175.619 -0.553 18480 2428 1 4 . 1 1 34 34 THR CA C 34 59.946 59.946 59.398 0.548 18480 2429 1 4 . 1 1 34 34 THR CB C 34 70.967 70.967 71.401 -0.434 18480 2430 1 4 . 1 1 34 34 THR H H 34 8.727 8.727 8.134 0.593 18480 2431 1 4 . 1 1 35 35 ALA N N 35 122.737 122.737 123.275 -0.538 18480 2432 1 4 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.266 -0.181 18480 2433 1 4 . 1 1 35 35 ALA C C 35 180.755 180.755 179.986 0.769 18480 2434 1 4 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.349 1.174 18480 2435 1 4 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.197 -0.127 18480 2436 1 4 . 1 1 35 35 ALA H H 35 8.913 8.913 8.752 0.161 18480 2437 1 4 . 1 1 36 36 SER N N 36 113.331 113.331 112.041 1.290 18480 2438 1 4 . 1 1 36 36 SER HA H 36 4.244 4.244 4.389 -0.145 18480 2439 1 4 . 1 1 36 36 SER C C 36 177.033 177.033 176.116 0.917 18480 2440 1 4 . 1 1 36 36 SER CA C 36 61.453 61.453 60.906 0.547 18480 2441 1 4 . 1 1 36 36 SER CB C 36 62.529 62.529 63.033 -0.504 18480 2442 1 4 . 1 1 36 36 SER H H 36 8.347 8.347 8.147 0.200 18480 2443 1 4 . 1 1 37 37 GLN N N 37 122.548 122.548 120.352 2.196 18480 2444 1 4 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.386 -0.327 18480 2445 1 4 . 1 1 37 37 GLN C C 37 179.149 179.149 178.058 1.091 18480 2446 1 4 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.655 1.312 18480 2447 1 4 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.971 -0.950 18480 2448 1 4 . 1 1 37 37 GLN H H 37 7.500 7.500 7.710 -0.210 18480 2449 1 4 . 1 1 38 38 LEU N N 38 117.948 117.948 120.933 -2.985 18480 2450 1 4 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.991 -0.099 18480 2451 1 4 . 1 1 38 38 LEU C C 38 179.675 179.675 178.168 1.507 18480 2452 1 4 . 1 1 38 38 LEU CA C 38 57.959 57.959 58.110 -0.151 18480 2453 1 4 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.784 -0.291 18480 2454 1 4 . 1 1 38 38 LEU H H 38 8.217 8.217 8.175 0.042 18480 2455 1 4 . 1 1 39 39 ASP N N 39 120.923 120.923 118.793 2.130 18480 2456 1 4 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.235 0.176 18480 2457 1 4 . 1 1 39 39 ASP C C 39 179.224 179.224 177.278 1.946 18480 2458 1 4 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.657 -0.051 18480 2459 1 4 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.923 0.905 18480 2460 1 4 . 1 1 39 39 ASP H H 39 8.192 8.192 7.895 0.297 18480 2461 1 4 . 1 1 40 40 ASP N N 40 123.608 123.608 117.734 5.874 18480 2462 1 4 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.514 -0.297 18480 2463 1 4 . 1 1 40 40 ASP C C 40 179.600 179.600 178.922 0.678 18480 2464 1 4 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.137 2.503 18480 2465 1 4 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.447 -2.135 18480 2466 1 4 . 1 1 40 40 ASP H H 40 8.366 8.366 7.630 0.736 18480 2467 1 4 . 1 1 41 41 MET N N 41 118.772 118.772 120.185 -1.413 18480 2468 1 4 . 1 1 41 41 MET HA H 41 3.638 3.638 4.038 -0.400 18480 2469 1 4 . 1 1 41 41 MET C C 41 177.693 177.693 178.163 -0.470 18480 2470 1 4 . 1 1 41 41 MET CA C 41 60.513 60.513 59.142 1.371 18480 2471 1 4 . 1 1 41 41 MET CB C 41 34.320 34.320 32.377 1.942 18480 2472 1 4 . 1 1 41 41 MET H H 41 8.423 8.423 7.571 0.852 18480 2473 1 4 . 1 1 42 42 SER N N 42 115.040 115.040 113.668 1.372 18480 2474 1 4 . 1 1 42 42 SER HA H 42 4.168 4.168 4.174 -0.006 18480 2475 1 4 . 1 1 42 42 SER C C 42 177.483 177.483 176.321 1.162 18480 2476 1 4 . 1 1 42 42 SER CA C 42 61.923 61.923 61.494 0.429 18480 2477 1 4 . 1 1 42 42 SER CB C 42 63.084 63.084 63.048 0.036 18480 2478 1 4 . 1 1 42 42 SER H H 42 8.901 8.901 8.604 0.297 18480 2479 1 4 . 1 1 43 43 THR N N 43 118.747 118.747 118.494 0.253 18480 2480 1 4 . 1 1 43 43 THR HA H 43 3.914 3.914 4.043 -0.129 18480 2481 1 4 . 1 1 43 43 THR C C 43 177.258 177.258 176.402 0.856 18480 2482 1 4 . 1 1 43 43 THR CA C 43 67.017 67.017 66.357 0.660 18480 2483 1 4 . 1 1 43 43 THR CB C 43 69.500 69.500 68.591 0.909 18480 2484 1 4 . 1 1 43 43 THR H H 43 8.479 8.479 7.549 0.930 18480 2485 1 4 . 1 1 44 44 ILE N N 44 121.898 121.898 121.747 0.151 18480 2486 1 4 . 1 1 44 44 ILE HA H 44 3.703 3.703 4.012 -0.309 18480 2487 1 4 . 1 1 44 44 ILE C C 44 178.564 178.564 178.076 0.488 18480 2488 1 4 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.632 -0.568 18480 2489 1 4 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.533 -1.324 18480 2490 1 4 . 1 1 44 44 ILE H H 44 7.807 7.807 7.623 0.184 18480 2491 1 4 . 1 1 45 45 ALA N N 45 124.002 124.002 122.224 1.778 18480 2492 1 4 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.017 0.025 18480 2493 1 4 . 1 1 45 45 ALA C C 45 179.404 179.404 179.304 0.100 18480 2494 1 4 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.305 1.236 18480 2495 1 4 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.534 -0.076 18480 2496 1 4 . 1 1 45 45 ALA H H 45 9.145 9.145 7.759 1.386 18480 2497 1 4 . 1 1 46 46 GLN N N 46 115.753 115.753 116.144 -0.391 18480 2498 1 4 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.192 -0.169 18480 2499 1 4 . 1 1 46 46 GLN C C 46 179.014 179.014 178.134 0.880 18480 2500 1 4 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.821 1.132 18480 2501 1 4 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.348 0.052 18480 2502 1 4 . 1 1 46 46 GLN H H 46 8.459 8.459 7.978 0.481 18480 2503 1 4 . 1 1 47 47 SER N N 47 116.041 116.041 117.789 -1.748 18480 2504 1 4 . 1 1 47 47 SER HA H 47 4.258 4.258 4.351 -0.093 18480 2505 1 4 . 1 1 47 47 SER C C 47 177.483 177.483 176.517 0.966 18480 2506 1 4 . 1 1 47 47 SER CA C 47 62.328 62.328 61.237 1.091 18480 2507 1 4 . 1 1 47 47 SER CB C 47 63.154 63.154 63.232 -0.078 18480 2508 1 4 . 1 1 47 47 SER H H 47 7.961 7.961 7.896 0.065 18480 2509 1 4 . 1 1 48 48 MET N N 48 122.349 122.349 120.792 1.557 18480 2510 1 4 . 1 1 48 48 MET HA H 48 4.376 4.376 4.284 0.092 18480 2511 1 4 . 1 1 48 48 MET C C 48 177.798 177.798 178.244 -0.446 18480 2512 1 4 . 1 1 48 48 MET CA C 48 58.198 58.198 57.770 0.428 18480 2513 1 4 . 1 1 48 48 MET CB C 48 32.102 32.102 31.781 0.321 18480 2514 1 4 . 1 1 48 48 MET H H 48 8.508 8.508 8.236 0.272 18480 2515 1 4 . 1 1 49 49 VAL N N 49 122.061 122.061 116.235 5.826 18480 2516 1 4 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.687 -0.245 18480 2517 1 4 . 1 1 49 49 VAL C C 49 177.910 177.910 177.688 0.222 18480 2518 1 4 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.429 1.494 18480 2519 1 4 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.738 1.020 18480 2520 1 4 . 1 1 49 49 VAL H H 49 8.541 8.541 7.487 1.054 18480 2521 1 4 . 1 1 50 50 GLN N N 50 118.465 118.465 119.844 -1.379 18480 2522 1 4 . 1 1 50 50 GLN HA H 50 4.057 4.057 3.964 0.093 18480 2523 1 4 . 1 1 50 50 GLN C C 50 179.449 179.449 178.242 1.207 18480 2524 1 4 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.416 -0.391 18480 2525 1 4 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.487 -0.480 18480 2526 1 4 . 1 1 50 50 GLN H H 50 8.165 8.165 7.664 0.501 18480 2527 1 4 . 1 1 51 51 SER N N 51 117.659 117.659 116.430 1.229 18480 2528 1 4 . 1 1 51 51 SER HA H 51 3.854 3.854 4.186 -0.332 18480 2529 1 4 . 1 1 51 51 SER C C 51 176.374 176.374 176.731 -0.357 18480 2530 1 4 . 1 1 51 51 SER CA C 51 62.642 62.642 61.874 0.768 18480 2531 1 4 . 1 1 51 51 SER CB C 51 63.039 63.039 62.937 0.102 18480 2532 1 4 . 1 1 51 51 SER H H 51 8.199 8.199 7.897 0.302 18480 2533 1 4 . 1 1 52 52 ILE N N 52 122.930 122.930 122.331 0.599 18480 2534 1 4 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.571 -0.191 18480 2535 1 4 . 1 1 52 52 ILE C C 52 178.684 178.684 177.803 0.881 18480 2536 1 4 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.325 0.991 18480 2537 1 4 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.819 -0.272 18480 2538 1 4 . 1 1 52 52 ILE H H 52 8.068 8.068 8.209 -0.141 18480 2539 1 4 . 1 1 53 53 GLN N N 53 118.774 118.774 118.858 -0.084 18480 2540 1 4 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.957 -0.044 18480 2541 1 4 . 1 1 53 53 GLN C C 53 179.014 179.014 178.736 0.278 18480 2542 1 4 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.260 -0.092 18480 2543 1 4 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.487 -0.470 18480 2544 1 4 . 1 1 53 53 GLN H H 53 8.459 8.459 8.148 0.311 18480 2545 1 4 . 1 1 54 54 SER N N 54 115.452 115.452 116.263 -0.811 18480 2546 1 4 . 1 1 54 54 SER HA H 54 4.294 4.294 4.235 0.059 18480 2547 1 4 . 1 1 54 54 SER C C 54 176.822 176.822 176.605 0.217 18480 2548 1 4 . 1 1 54 54 SER CA C 54 61.276 61.276 62.071 -0.795 18480 2549 1 4 . 1 1 54 54 SER CB C 54 62.873 62.873 62.837 0.036 18480 2550 1 4 . 1 1 54 54 SER H H 54 8.330 8.330 7.883 0.447 18480 2551 1 4 . 1 1 55 55 LEU N N 55 121.066 121.066 121.463 -0.397 18480 2552 1 4 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.175 -0.194 18480 2553 1 4 . 1 1 55 55 LEU C C 55 179.434 179.434 178.331 1.103 18480 2554 1 4 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.273 0.703 18480 2555 1 4 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.545 1.061 18480 2556 1 4 . 1 1 55 55 LEU H H 55 8.211 8.211 7.735 0.476 18480 2557 1 4 . 1 1 56 56 ALA N N 56 122.497 122.497 123.024 -0.527 18480 2558 1 4 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.140 0.009 18480 2559 1 4 . 1 1 56 56 ALA C C 56 180.530 180.530 180.263 0.267 18480 2560 1 4 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.752 0.317 18480 2561 1 4 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.134 -0.172 18480 2562 1 4 . 1 1 56 56 ALA H H 56 8.902 8.902 8.293 0.609 18480 2563 1 4 . 1 1 57 57 ALA N N 57 122.922 122.922 120.645 2.277 18480 2564 1 4 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.107 0.050 18480 2565 1 4 . 1 1 57 57 ALA C C 57 179.344 179.344 179.152 0.192 18480 2566 1 4 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.423 0.575 18480 2567 1 4 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.590 -0.561 18480 2568 1 4 . 1 1 57 57 ALA H H 57 8.140 8.140 7.835 0.305 18480 2569 1 4 . 1 1 58 58 GLN N N 58 113.359 113.359 115.608 -2.249 18480 2570 1 4 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.367 -0.005 18480 2571 1 4 . 1 1 58 58 GLN C C 58 176.612 176.612 175.980 0.632 18480 2572 1 4 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.065 0.533 18480 2573 1 4 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.294 1.781 18480 2574 1 4 . 1 1 58 58 GLN H H 58 7.415 7.415 7.761 -0.346 18480 2575 1 4 . 1 1 59 59 GLY N N 59 109.012 109.012 107.598 1.414 18480 2576 1 4 . 1 1 59 59 GLY C C 59 174.856 174.856 175.205 -0.349 18480 2577 1 4 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.487 1.274 18480 2578 1 4 . 1 1 59 59 GLY H H 59 7.979 7.979 7.561 0.418 18480 2579 1 4 . 1 1 60 60 ARG N N 60 115.906 115.906 117.281 -1.375 18480 2580 1 4 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.447 0.155 18480 2581 1 4 . 1 1 60 60 ARG C C 60 175.847 175.847 176.290 -0.443 18480 2582 1 4 . 1 1 60 60 ARG CA C 60 55.808 55.808 55.303 0.505 18480 2583 1 4 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.349 2.057 18480 2584 1 4 . 1 1 60 60 ARG H H 60 8.126 8.126 8.504 -0.378 18480 2585 1 4 . 1 1 61 61 THR N N 61 107.985 107.985 113.754 -5.769 18480 2586 1 4 . 1 1 61 61 THR HA H 61 4.125 4.125 4.427 -0.302 18480 2587 1 4 . 1 1 61 61 THR C C 61 173.654 173.654 173.797 -0.143 18480 2588 1 4 . 1 1 61 61 THR CA C 61 62.194 62.194 61.436 0.758 18480 2589 1 4 . 1 1 61 61 THR CB C 61 69.512 69.512 69.939 -0.427 18480 2590 1 4 . 1 1 61 61 THR H H 61 7.663 7.663 7.440 0.223 18480 2591 1 4 . 1 1 62 62 SER N N 62 113.733 113.733 116.347 -2.614 18480 2592 1 4 . 1 1 62 62 SER HA H 62 4.973 4.973 4.677 0.296 18480 2593 1 4 . 1 1 62 62 SER C C 62 173.207 173.207 173.275 -0.068 18480 2594 1 4 . 1 1 62 62 SER CA C 62 56.343 56.343 55.495 0.848 18480 2595 1 4 . 1 1 62 62 SER CB C 62 63.992 63.992 65.163 -1.171 18480 2596 1 4 . 1 1 62 62 SER H H 62 7.057 7.057 7.817 -0.760 18480 2597 1 4 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.532 0.170 18480 2598 1 4 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.297 1.003 18480 2599 1 4 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.236 0.000 18480 2600 1 4 . 1 1 64 64 ASN N N 64 114.886 114.886 114.340 0.546 18480 2601 1 4 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.936 -0.534 18480 2602 1 4 . 1 1 64 64 ASN CA C 64 56.251 56.251 54.719 1.532 18480 2603 1 4 . 1 1 64 64 ASN CB C 64 38.037 38.037 38.854 -0.817 18480 2604 1 4 . 1 1 64 64 ASN H H 64 8.642 8.642 7.928 0.714 18480 2605 1 4 . 1 1 65 65 LYS N N 65 119.774 119.774 122.002 -2.228 18480 2606 1 4 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.264 -0.458 18480 2607 1 4 . 1 1 65 65 LYS C C 65 178.999 178.999 178.240 0.759 18480 2608 1 4 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.291 2.587 18480 2609 1 4 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.575 0.662 18480 2610 1 4 . 1 1 65 65 LYS H H 65 7.882 7.882 7.690 0.192 18480 2611 1 4 . 1 1 66 66 LEU N N 66 117.686 117.686 119.162 -1.476 18480 2612 1 4 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.024 -0.002 18480 2613 1 4 . 1 1 66 66 LEU C C 66 178.928 178.928 178.444 0.484 18480 2614 1 4 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.168 0.749 18480 2615 1 4 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.722 -0.189 18480 2616 1 4 . 1 1 66 66 LEU H H 66 8.666 8.666 8.612 0.054 18480 2617 1 4 . 1 1 67 67 GLN N N 67 124.469 124.469 119.394 5.075 18480 2618 1 4 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.205 0.087 18480 2619 1 4 . 1 1 67 67 GLN C C 67 178.789 178.789 177.553 1.236 18480 2620 1 4 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.949 0.942 18480 2621 1 4 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.259 -0.100 18480 2622 1 4 . 1 1 67 67 GLN H H 67 8.997 8.997 7.729 1.268 18480 2623 1 4 . 1 1 68 68 ALA N N 68 121.986 121.986 121.101 0.885 18480 2624 1 4 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.073 -0.263 18480 2625 1 4 . 1 1 68 68 ALA C C 68 180.320 180.320 179.699 0.621 18480 2626 1 4 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.583 0.920 18480 2627 1 4 . 1 1 68 68 ALA CB C 68 18.212 18.212 17.934 0.278 18480 2628 1 4 . 1 1 68 68 ALA H H 68 7.427 7.427 7.648 -0.221 18480 2629 1 4 . 1 1 69 69 LEU N N 69 118.881 118.881 116.110 2.771 18480 2630 1 4 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.154 -0.102 18480 2631 1 4 . 1 1 69 69 LEU C C 69 178.864 178.864 178.404 0.460 18480 2632 1 4 . 1 1 69 69 LEU CA C 69 57.747 57.747 56.842 0.905 18480 2633 1 4 . 1 1 69 69 LEU CB C 69 41.894 41.894 40.489 1.405 18480 2634 1 4 . 1 1 69 69 LEU H H 69 8.143 8.143 7.634 0.509 18480 2635 1 4 . 1 1 70 70 ASN N N 70 119.848 119.848 119.023 0.825 18480 2636 1 4 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.493 -0.102 18480 2637 1 4 . 1 1 70 70 ASN C C 70 177.483 177.483 177.320 0.163 18480 2638 1 4 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.256 1.528 18480 2639 1 4 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.772 0.700 18480 2640 1 4 . 1 1 70 70 ASN H H 70 8.456 8.456 7.816 0.640 18480 2641 1 4 . 1 1 71 71 MET N N 71 118.843 118.843 118.527 0.316 18480 2642 1 4 . 1 1 71 71 MET HA H 71 4.769 4.769 4.377 0.392 18480 2643 1 4 . 1 1 71 71 MET C C 71 178.279 178.279 178.404 -0.125 18480 2644 1 4 . 1 1 71 71 MET CA C 71 56.415 56.415 56.452 -0.036 18480 2645 1 4 . 1 1 71 71 MET CB C 71 29.788 29.788 31.339 -1.551 18480 2646 1 4 . 1 1 71 71 MET H H 71 7.757 7.757 7.580 0.177 18480 2647 1 4 . 1 1 72 72 ALA N N 72 126.265 126.265 123.237 3.028 18480 2648 1 4 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.167 0.075 18480 2649 1 4 . 1 1 72 72 ALA C C 72 179.059 179.059 179.015 0.044 18480 2650 1 4 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.057 0.069 18480 2651 1 4 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.149 0.774 18480 2652 1 4 . 1 1 72 72 ALA H H 72 8.559 8.559 8.277 0.282 18480 2653 1 4 . 1 1 73 73 PHE N N 73 118.887 118.887 120.068 -1.181 18480 2654 1 4 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.487 -0.424 18480 2655 1 4 . 1 1 73 73 PHE C C 73 177.258 177.258 177.141 0.117 18480 2656 1 4 . 1 1 73 73 PHE CA C 73 61.072 61.072 59.809 1.263 18480 2657 1 4 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.119 0.186 18480 2658 1 4 . 1 1 73 73 PHE H H 73 8.337 8.337 7.381 0.956 18480 2659 1 4 . 1 1 74 74 ALA N N 74 122.360 122.360 121.373 0.987 18480 2660 1 4 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.646 -0.415 18480 2661 1 4 . 1 1 74 74 ALA C C 74 179.374 179.374 179.358 0.016 18480 2662 1 4 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.894 0.922 18480 2663 1 4 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.308 0.573 18480 2664 1 4 . 1 1 74 74 ALA H H 74 8.540 8.540 8.024 0.516 18480 2665 1 4 . 1 1 75 75 SER N N 75 112.265 112.265 114.122 -1.857 18480 2666 1 4 . 1 1 75 75 SER HA H 75 3.858 3.858 4.276 -0.418 18480 2667 1 4 . 1 1 75 75 SER CA C 75 62.251 62.251 61.735 0.516 18480 2668 1 4 . 1 1 75 75 SER CB C 75 62.874 62.874 63.024 -0.150 18480 2669 1 4 . 1 1 75 75 SER H H 75 8.859 8.859 8.269 0.590 18480 2670 1 4 . 1 1 76 76 SER N N 76 118.859 118.859 118.078 0.781 18480 2671 1 4 . 1 1 76 76 SER HA H 76 3.964 3.964 4.123 -0.159 18480 2672 1 4 . 1 1 76 76 SER CA C 76 63.066 63.066 61.288 1.778 18480 2673 1 4 . 1 1 76 76 SER CB C 76 63.377 63.377 62.736 0.641 18480 2674 1 4 . 1 1 76 76 SER H H 76 8.065 8.065 7.419 0.646 18480 2675 1 4 . 1 1 77 77 MET N N 77 120.030 120.030 120.469 -0.439 18480 2676 1 4 . 1 1 77 77 MET HA H 77 4.234 4.234 4.177 0.057 18480 2677 1 4 . 1 1 77 77 MET C C 77 178.354 178.354 178.468 -0.114 18480 2678 1 4 . 1 1 77 77 MET CA C 77 57.167 57.167 57.000 0.167 18480 2679 1 4 . 1 1 77 77 MET CB C 77 32.728 32.728 31.105 1.623 18480 2680 1 4 . 1 1 77 77 MET H H 77 7.397 7.397 7.812 -0.415 18480 2681 1 4 . 1 1 78 78 ALA N N 78 119.880 119.880 121.881 -2.001 18480 2682 1 4 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.035 -0.132 18480 2683 1 4 . 1 1 78 78 ALA C C 78 178.354 178.354 179.112 -0.758 18480 2684 1 4 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.377 -0.237 18480 2685 1 4 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.202 0.899 18480 2686 1 4 . 1 1 78 78 ALA H H 78 7.908 7.908 7.663 0.245 18480 2687 1 4 . 1 1 79 79 GLU N N 79 117.907 117.907 120.402 -2.495 18480 2688 1 4 . 1 1 79 79 GLU HA H 79 3.939 3.939 4.025 -0.086 18480 2689 1 4 . 1 1 79 79 GLU C C 79 178.894 178.894 178.881 0.013 18480 2690 1 4 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.365 0.335 18480 2691 1 4 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.300 0.347 18480 2692 1 4 . 1 1 79 79 GLU H H 79 8.576 8.576 7.738 0.838 18480 2693 1 4 . 1 1 80 80 ILE N N 80 121.918 121.918 119.018 2.900 18480 2694 1 4 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.732 -0.130 18480 2695 1 4 . 1 1 80 80 ILE C C 80 179.014 179.014 178.122 0.892 18480 2696 1 4 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.666 0.465 18480 2697 1 4 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.337 0.288 18480 2698 1 4 . 1 1 80 80 ILE H H 80 8.065 8.065 7.835 0.230 18480 2699 1 4 . 1 1 81 81 ALA N N 81 120.266 120.266 122.900 -2.634 18480 2700 1 4 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.626 -0.478 18480 2701 1 4 . 1 1 81 81 ALA C C 81 177.258 177.258 179.203 -1.945 18480 2702 1 4 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.848 0.292 18480 2703 1 4 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.793 0.362 18480 2704 1 4 . 1 1 81 81 ALA H H 81 8.169 8.169 7.695 0.474 18480 2705 1 4 . 1 1 82 82 ALA N N 82 114.813 114.813 120.192 -5.379 18480 2706 1 4 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.151 -0.100 18480 2707 1 4 . 1 1 82 82 ALA C C 82 177.693 177.693 179.780 -2.087 18480 2708 1 4 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.664 -0.897 18480 2709 1 4 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.620 2.379 18480 2710 1 4 . 1 1 82 82 ALA H H 82 8.019 8.019 8.394 -0.375 18480 2711 1 4 . 1 1 83 83 SER N N 83 110.140 110.140 113.206 -3.066 18480 2712 1 4 . 1 1 83 83 SER HA H 83 4.415 4.415 4.373 0.042 18480 2713 1 4 . 1 1 83 83 SER C C 83 174.856 174.856 175.121 -0.265 18480 2714 1 4 . 1 1 83 83 SER CA C 83 59.772 59.772 61.097 -1.325 18480 2715 1 4 . 1 1 83 83 SER CB C 83 64.952 64.952 64.159 0.793 18480 2716 1 4 . 1 1 83 83 SER H H 83 7.823 7.823 7.992 -0.169 18480 2717 1 4 . 1 1 84 84 GLU N N 84 120.696 120.696 119.267 1.429 18480 2718 1 4 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.585 -0.084 18480 2719 1 4 . 1 1 84 84 GLU C C 84 176.597 176.597 175.308 1.289 18480 2720 1 4 . 1 1 84 84 GLU CA C 84 56.596 56.596 54.748 1.848 18480 2721 1 4 . 1 1 84 84 GLU CB C 84 28.537 28.537 31.994 -3.457 18480 2722 1 4 . 1 1 84 84 GLU H H 84 7.666 7.666 8.243 -0.577 18480 2723 1 4 . 1 1 85 85 GLU N N 85 124.951 124.951 117.866 7.085 18480 2724 1 4 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.359 -0.097 18480 2725 1 4 . 1 1 85 85 GLU C C 85 177.258 177.258 175.147 2.111 18480 2726 1 4 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.021 1.824 18480 2727 1 4 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.075 -1.272 18480 2728 1 4 . 1 1 85 85 GLU H H 85 8.735 8.735 8.380 0.355 18480 2729 1 4 . 1 1 86 86 GLY N N 86 110.356 110.356 105.625 4.731 18480 2730 1 4 . 1 1 86 86 GLY C C 86 174.856 174.856 174.439 0.417 18480 2731 1 4 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.837 -0.447 18480 2732 1 4 . 1 1 86 86 GLY H H 86 8.609 8.609 8.268 0.341 18480 2733 1 4 . 1 1 87 87 GLY N N 87 107.569 107.569 107.897 -0.328 18480 2734 1 4 . 1 1 87 87 GLY C C 87 174.436 174.436 174.907 -0.471 18480 2735 1 4 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.753 -0.493 18480 2736 1 4 . 1 1 87 87 GLY H H 87 7.931 7.931 7.852 0.079 18480 2737 1 4 . 1 1 88 88 GLY N N 88 109.889 109.889 109.007 0.882 18480 2738 1 4 . 1 1 88 88 GLY C C 88 173.325 173.325 173.893 -0.568 18480 2739 1 4 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.360 0.806 18480 2740 1 4 . 1 1 88 88 GLY H H 88 8.650 8.650 7.472 1.178 18480 2741 1 4 . 1 1 89 89 SER N N 89 114.731 114.731 117.168 -2.437 18480 2742 1 4 . 1 1 89 89 SER HA H 89 4.411 4.411 4.307 0.104 18480 2743 1 4 . 1 1 89 89 SER C C 89 175.066 175.066 176.100 -1.034 18480 2744 1 4 . 1 1 89 89 SER CA C 89 57.363 57.363 58.209 -0.846 18480 2745 1 4 . 1 1 89 89 SER CB C 89 62.483 62.483 64.308 -1.825 18480 2746 1 4 . 1 1 89 89 SER H H 89 8.640 8.640 7.767 0.873 18480 2747 1 4 . 1 1 90 90 LEU N N 90 123.210 123.210 123.695 -0.485 18480 2748 1 4 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.006 -0.031 18480 2749 1 4 . 1 1 90 90 LEU C C 90 179.434 179.434 178.549 0.885 18480 2750 1 4 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.454 -0.111 18480 2751 1 4 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.808 -0.444 18480 2752 1 4 . 1 1 90 90 LEU H H 90 8.976 8.976 8.682 0.294 18480 2753 1 4 . 1 1 91 91 SER N N 91 115.789 115.789 113.384 2.405 18480 2754 1 4 . 1 1 91 91 SER HA H 91 4.149 4.149 4.352 -0.203 18480 2755 1 4 . 1 1 91 91 SER C C 91 177.325 177.325 176.253 1.072 18480 2756 1 4 . 1 1 91 91 SER CA C 91 61.794 61.794 61.824 -0.030 18480 2757 1 4 . 1 1 91 91 SER CB C 91 62.276 62.276 62.247 0.029 18480 2758 1 4 . 1 1 91 91 SER H H 91 8.612 8.612 8.494 0.118 18480 2759 1 4 . 1 1 92 92 THR N N 92 122.677 122.677 119.292 3.385 18480 2760 1 4 . 1 1 92 92 THR HA H 92 3.919 3.919 4.082 -0.163 18480 2761 1 4 . 1 1 92 92 THR C C 92 176.162 176.162 176.567 -0.405 18480 2762 1 4 . 1 1 92 92 THR CA C 92 66.719 66.719 66.037 0.682 18480 2763 1 4 . 1 1 92 92 THR CB C 92 68.236 68.236 68.351 -0.115 18480 2764 1 4 . 1 1 92 92 THR H H 92 7.871 7.871 8.014 -0.143 18480 2765 1 4 . 1 1 93 93 LYS N N 93 119.820 119.820 120.368 -0.548 18480 2766 1 4 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.813 -0.244 18480 2767 1 4 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.433 1.219 18480 2768 1 4 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.510 2.218 18480 2769 1 4 . 1 1 93 93 LYS H H 93 8.263 8.263 8.199 0.064 18480 2770 1 4 . 1 1 94 94 THR N N 94 113.759 113.759 116.798 -3.039 18480 2771 1 4 . 1 1 94 94 THR HA H 94 3.692 3.692 4.197 -0.505 18480 2772 1 4 . 1 1 94 94 THR C C 94 177.033 177.033 176.680 0.353 18480 2773 1 4 . 1 1 94 94 THR CA C 94 68.122 68.122 66.735 1.387 18480 2774 1 4 . 1 1 94 94 THR CB C 94 68.342 68.342 68.361 -0.019 18480 2775 1 4 . 1 1 94 94 THR H H 94 8.448 8.448 7.634 0.814 18480 2776 1 4 . 1 1 95 95 SER N N 95 117.547 117.547 116.992 0.555 18480 2777 1 4 . 1 1 95 95 SER HA H 95 4.262 4.262 4.274 -0.012 18480 2778 1 4 . 1 1 95 95 SER C C 95 177.828 177.828 176.865 0.963 18480 2779 1 4 . 1 1 95 95 SER CA C 95 61.758 61.758 61.249 0.509 18480 2780 1 4 . 1 1 95 95 SER CB C 95 62.667 62.667 62.636 0.031 18480 2781 1 4 . 1 1 95 95 SER H H 95 8.173 8.173 8.419 -0.246 18480 2782 1 4 . 1 1 96 96 SER N N 96 121.366 121.366 118.659 2.707 18480 2783 1 4 . 1 1 96 96 SER HA H 96 4.035 4.035 4.302 -0.267 18480 2784 1 4 . 1 1 96 96 SER CA C 96 62.467 62.467 62.571 -0.104 18480 2785 1 4 . 1 1 96 96 SER CB C 96 61.755 61.755 63.148 -1.393 18480 2786 1 4 . 1 1 96 96 SER H H 96 8.830 8.830 7.793 1.037 18480 2787 1 4 . 1 1 97 97 ILE N N 97 121.943 121.943 121.607 0.336 18480 2788 1 4 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.884 -0.075 18480 2789 1 4 . 1 1 97 97 ILE C C 97 177.693 177.693 177.742 -0.049 18480 2790 1 4 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.348 0.694 18480 2791 1 4 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.766 -0.230 18480 2792 1 4 . 1 1 97 97 ILE H H 97 8.380 8.380 7.805 0.575 18480 2793 1 4 . 1 1 98 98 ALA N N 98 122.507 122.507 122.671 -0.164 18480 2794 1 4 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.034 0.006 18480 2795 1 4 . 1 1 98 98 ALA C C 98 180.740 180.740 179.708 1.032 18480 2796 1 4 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.689 0.699 18480 2797 1 4 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.065 0.089 18480 2798 1 4 . 1 1 98 98 ALA H H 98 8.624 8.624 8.236 0.388 18480 2799 1 4 . 1 1 99 99 SER N N 99 115.850 115.850 114.510 1.340 18480 2800 1 4 . 1 1 99 99 SER HA H 99 4.325 4.325 4.322 0.003 18480 2801 1 4 . 1 1 99 99 SER C C 99 177.168 177.168 176.567 0.601 18480 2802 1 4 . 1 1 99 99 SER CA C 99 61.867 61.867 61.066 0.801 18480 2803 1 4 . 1 1 99 99 SER CB C 99 63.200 63.200 62.859 0.341 18480 2804 1 4 . 1 1 99 99 SER H H 99 8.667 8.667 8.057 0.610 18480 2805 1 4 . 1 1 100 100 ALA N N 100 124.410 124.410 125.725 -1.315 18480 2806 1 4 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.791 -0.649 18480 2807 1 4 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.780 0.608 18480 2808 1 4 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.347 0.280 18480 2809 1 4 . 1 1 100 100 ALA H H 100 8.744 8.744 7.993 0.751 18480 2810 1 4 . 1 1 101 101 MET N N 101 119.346 119.346 117.127 2.219 18480 2811 1 4 . 1 1 101 101 MET HA H 101 4.368 4.368 4.339 0.029 18480 2812 1 4 . 1 1 101 101 MET CA C 101 59.163 59.163 57.462 1.701 18480 2813 1 4 . 1 1 101 101 MET CB C 101 33.233 33.233 31.968 1.265 18480 2814 1 4 . 1 1 101 101 MET H H 101 9.152 9.152 8.920 0.232 18480 2815 1 4 . 1 1 102 102 SER N N 102 117.124 117.124 115.646 1.478 18480 2816 1 4 . 1 1 102 102 SER HA H 102 4.382 4.382 4.520 -0.138 18480 2817 1 4 . 1 1 102 102 SER CA C 102 63.424 63.424 62.410 1.014 18480 2818 1 4 . 1 1 102 102 SER CB C 102 62.639 62.639 63.108 -0.470 18480 2819 1 4 . 1 1 102 102 SER H H 102 8.766 8.766 8.108 0.658 18480 2820 1 4 . 1 1 103 103 ASN N N 103 118.601 118.601 118.469 0.132 18480 2821 1 4 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.626 -0.160 18480 2822 1 4 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.404 1.235 18480 2823 1 4 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.447 -0.140 18480 2824 1 4 . 1 1 103 103 ASN H H 103 8.298 8.298 8.301 -0.003 18480 2825 1 4 . 1 1 104 104 ALA N N 104 122.821 122.821 121.464 1.357 18480 2826 1 4 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.057 0.182 18480 2827 1 4 . 1 1 104 104 ALA C C 104 181.701 181.701 179.041 2.660 18480 2828 1 4 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.397 0.875 18480 2829 1 4 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.325 -0.151 18480 2830 1 4 . 1 1 104 104 ALA H H 104 7.969 7.969 7.385 0.584 18480 2831 1 4 . 1 1 105 105 PHE N N 105 119.585 119.585 117.598 1.987 18480 2832 1 4 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.578 -0.370 18480 2833 1 4 . 1 1 105 105 PHE C C 105 179.224 179.224 178.020 1.204 18480 2834 1 4 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.062 3.060 18480 2835 1 4 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.941 0.626 18480 2836 1 4 . 1 1 105 105 PHE H H 105 8.647 8.647 7.742 0.905 18480 2837 1 4 . 1 1 106 106 LEU N N 106 121.925 121.925 116.207 5.718 18480 2838 1 4 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.190 -0.491 18480 2839 1 4 . 1 1 106 106 LEU C C 106 179.074 179.074 178.838 0.236 18480 2840 1 4 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.700 2.355 18480 2841 1 4 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.131 0.331 18480 2842 1 4 . 1 1 106 106 LEU H H 106 8.450 8.450 7.760 0.690 18480 2843 1 4 . 1 1 107 107 GLN N N 107 115.214 115.214 118.167 -2.953 18480 2844 1 4 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.349 -0.247 18480 2845 1 4 . 1 1 107 107 GLN C C 107 176.822 176.822 177.649 -0.827 18480 2846 1 4 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.945 -0.359 18480 2847 1 4 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.043 0.236 18480 2848 1 4 . 1 1 107 107 GLN H H 107 8.444 8.444 8.013 0.431 18480 2849 1 4 . 1 1 108 108 THR N N 108 109.014 109.014 113.453 -4.439 18480 2850 1 4 . 1 1 108 108 THR HA H 108 4.369 4.369 4.315 0.054 18480 2851 1 4 . 1 1 108 108 THR C C 108 175.952 175.952 176.213 -0.261 18480 2852 1 4 . 1 1 108 108 THR CA C 108 63.658 63.658 64.523 -0.865 18480 2853 1 4 . 1 1 108 108 THR CB C 108 70.179 70.179 69.215 0.965 18480 2854 1 4 . 1 1 108 108 THR H H 108 7.631 7.631 7.930 -0.299 18480 2855 1 4 . 1 1 109 109 THR N N 109 110.844 110.844 113.391 -2.547 18480 2856 1 4 . 1 1 109 109 THR HA H 109 4.477 4.477 4.438 0.039 18480 2857 1 4 . 1 1 109 109 THR C C 109 176.162 176.162 176.088 0.074 18480 2858 1 4 . 1 1 109 109 THR CA C 109 61.728 61.728 62.224 -0.495 18480 2859 1 4 . 1 1 109 109 THR CB C 109 70.659 70.659 70.293 0.366 18480 2860 1 4 . 1 1 109 109 THR H H 109 8.623 8.623 7.838 0.785 18480 2861 1 4 . 1 1 110 110 GLY N N 110 109.549 109.549 110.205 -0.656 18480 2862 1 4 . 1 1 110 110 GLY C C 110 172.889 172.889 173.214 -0.325 18480 2863 1 4 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.922 0.621 18480 2864 1 4 . 1 1 110 110 GLY H H 110 8.113 8.113 8.360 -0.247 18480 2865 1 4 . 1 1 111 111 VAL N N 111 118.903 118.903 118.804 0.099 18480 2866 1 4 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.482 -0.226 18480 2867 1 4 . 1 1 111 111 VAL C C 111 174.421 174.421 174.053 0.368 18480 2868 1 4 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.042 0.719 18480 2869 1 4 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.660 0.850 18480 2870 1 4 . 1 1 111 111 VAL H H 111 7.724 7.724 7.616 0.108 18480 2871 1 4 . 1 1 112 112 VAL N N 112 124.398 124.398 124.193 0.205 18480 2872 1 4 . 1 1 112 112 VAL HA H 112 3.233 3.233 3.983 -0.750 18480 2873 1 4 . 1 1 112 112 VAL C C 112 174.646 174.646 174.394 0.252 18480 2874 1 4 . 1 1 112 112 VAL CA C 112 63.735 63.735 61.186 2.549 18480 2875 1 4 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.048 -0.242 18480 2876 1 4 . 1 1 112 112 VAL H H 112 8.627 8.627 8.332 0.295 18480 2877 1 4 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.720 -0.151 18480 2878 1 4 . 1 1 113 113 ASN CA C 113 51.207 51.207 51.943 -0.736 18480 2879 1 4 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.277 -0.896 18480 2880 1 4 . 1 1 114 114 GLN N N 114 125.364 125.364 125.246 0.118 18480 2881 1 4 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.176 -0.236 18480 2882 1 4 . 1 1 114 114 GLN C C 114 174.811 174.811 175.124 -0.313 18480 2883 1 4 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.339 -1.702 18480 2884 1 4 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.035 -0.943 18480 2885 1 4 . 1 1 114 114 GLN H H 114 8.731 8.731 8.916 -0.185 18480 2886 1 4 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.309 -0.041 18480 2887 1 4 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.816 0.845 18480 2888 1 4 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.477 -0.280 18480 2889 1 4 . 1 1 116 116 PHE N N 116 118.102 118.102 119.369 -1.267 18480 2890 1 4 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.271 -0.010 18480 2891 1 4 . 1 1 116 116 PHE C C 116 176.597 176.597 177.670 -1.073 18480 2892 1 4 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.674 -0.384 18480 2893 1 4 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.528 0.052 18480 2894 1 4 . 1 1 116 116 PHE H H 116 7.712 7.712 8.030 -0.318 18480 2895 1 4 . 1 1 117 117 ILE N N 117 118.950 118.950 117.670 1.280 18480 2896 1 4 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.853 -0.199 18480 2897 1 4 . 1 1 117 117 ILE C C 117 178.789 178.789 178.206 0.583 18480 2898 1 4 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.543 1.097 18480 2899 1 4 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.702 -0.188 18480 2900 1 4 . 1 1 117 117 ILE H H 117 7.747 7.747 7.704 0.043 18480 2901 1 4 . 1 1 118 118 ASN N N 118 119.204 119.204 118.826 0.378 18480 2902 1 4 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.483 -0.116 18480 2903 1 4 . 1 1 118 118 ASN C C 118 177.033 177.033 177.994 -0.961 18480 2904 1 4 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.089 -0.308 18480 2905 1 4 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.050 -0.565 18480 2906 1 4 . 1 1 118 118 ASN H H 118 8.847 8.847 7.993 0.854 18480 2907 1 4 . 1 1 119 119 GLU N N 119 120.684 120.684 119.828 0.856 18480 2908 1 4 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.051 -0.086 18480 2909 1 4 . 1 1 119 119 GLU C C 119 178.564 178.564 178.621 -0.057 18480 2910 1 4 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.512 0.602 18480 2911 1 4 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.798 -0.280 18480 2912 1 4 . 1 1 119 119 GLU H H 119 8.081 8.081 7.959 0.122 18480 2913 1 4 . 1 1 120 120 ILE N N 120 118.037 118.037 118.350 -0.313 18480 2914 1 4 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.717 -0.145 18480 2915 1 4 . 1 1 120 120 ILE C C 120 178.279 178.279 178.044 0.235 18480 2916 1 4 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.020 -0.922 18480 2917 1 4 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.257 -1.005 18480 2918 1 4 . 1 1 120 120 ILE H H 120 7.948 7.948 7.558 0.390 18480 2919 1 4 . 1 1 121 121 THR N N 121 113.671 113.671 111.809 1.862 18480 2920 1 4 . 1 1 121 121 THR HA H 121 3.804 3.804 4.017 -0.213 18480 2921 1 4 . 1 1 121 121 THR C C 121 177.258 177.258 176.651 0.607 18480 2922 1 4 . 1 1 121 121 THR CA C 121 66.771 66.771 65.858 0.913 18480 2923 1 4 . 1 1 121 121 THR CB C 121 68.293 68.293 68.157 0.136 18480 2924 1 4 . 1 1 121 121 THR H H 121 8.345 8.345 7.708 0.637 18480 2925 1 4 . 1 1 122 122 GLN N N 122 121.849 121.849 120.797 1.052 18480 2926 1 4 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.078 -0.079 18480 2927 1 4 . 1 1 122 122 GLN C C 122 179.014 179.014 178.166 0.848 18480 2928 1 4 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.387 0.379 18480 2929 1 4 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.500 -0.068 18480 2930 1 4 . 1 1 122 122 GLN H H 122 7.589 7.589 7.446 0.143 18480 2931 1 4 . 1 1 123 123 LEU N N 123 120.855 120.855 120.538 0.317 18480 2932 1 4 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.656 -0.238 18480 2933 1 4 . 1 1 123 123 LEU C C 123 178.354 178.354 178.777 -0.423 18480 2934 1 4 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.592 0.224 18480 2935 1 4 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.678 -0.827 18480 2936 1 4 . 1 1 123 123 LEU H H 123 8.081 8.081 7.682 0.399 18480 2937 1 4 . 1 1 124 124 VAL N N 124 115.864 115.864 117.262 -1.398 18480 2938 1 4 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.803 -0.453 18480 2939 1 4 . 1 1 124 124 VAL C C 124 177.453 177.453 178.517 -1.064 18480 2940 1 4 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.102 1.371 18480 2941 1 4 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.397 0.209 18480 2942 1 4 . 1 1 124 124 VAL H H 124 7.574 7.574 7.676 -0.102 18480 2943 1 4 . 1 1 125 125 SER N N 125 110.334 110.334 114.312 -3.978 18480 2944 1 4 . 1 1 125 125 SER HA H 125 4.054 4.054 4.252 -0.198 18480 2945 1 4 . 1 1 125 125 SER C C 125 175.937 175.937 176.152 -0.215 18480 2946 1 4 . 1 1 125 125 SER CA C 125 61.763 61.763 60.880 0.883 18480 2947 1 4 . 1 1 125 125 SER CB C 125 62.864 62.864 63.324 -0.460 18480 2948 1 4 . 1 1 125 125 SER H H 125 6.950 6.950 7.282 -0.332 18480 2949 1 4 . 1 1 126 126 MET N N 126 121.750 121.750 119.939 1.811 18480 2950 1 4 . 1 1 126 126 MET HA H 126 3.951 3.951 4.087 -0.136 18480 2951 1 4 . 1 1 126 126 MET C C 126 179.254 179.254 178.322 0.932 18480 2952 1 4 . 1 1 126 126 MET CA C 126 59.246 59.246 58.976 0.270 18480 2953 1 4 . 1 1 126 126 MET CB C 126 33.265 33.265 31.998 1.267 18480 2954 1 4 . 1 1 126 126 MET H H 126 8.113 8.113 7.945 0.168 18480 2955 1 4 . 1 1 127 127 PHE N N 127 118.909 118.909 118.088 0.821 18480 2956 1 4 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.324 0.319 18480 2957 1 4 . 1 1 127 127 PHE C C 127 178.128 178.128 177.919 0.209 18480 2958 1 4 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.805 -3.046 18480 2959 1 4 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.253 -0.192 18480 2960 1 4 . 1 1 127 127 PHE H H 127 8.791 8.791 7.403 1.388 18480 2961 1 4 . 1 1 128 128 ALA N N 128 122.620 122.620 120.020 2.600 18480 2962 1 4 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.194 -0.018 18480 2963 1 4 . 1 1 128 128 ALA C C 128 178.789 178.789 178.266 0.523 18480 2964 1 4 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.119 0.546 18480 2965 1 4 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.430 0.735 18480 2966 1 4 . 1 1 128 128 ALA H H 128 8.235 8.235 7.783 0.452 18480 2967 1 4 . 1 1 129 129 GLN N N 129 116.507 116.507 117.071 -0.564 18480 2968 1 4 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.233 -0.008 18480 2969 1 4 . 1 1 129 129 GLN C C 129 177.258 177.258 177.836 -0.578 18480 2970 1 4 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.547 -0.529 18480 2971 1 4 . 1 1 129 129 GLN CB C 129 29.125 29.125 29.162 -0.037 18480 2972 1 4 . 1 1 129 129 GLN H H 129 7.715 7.715 7.526 0.190 18480 2973 1 4 . 1 1 130 130 ALA N N 130 122.020 122.020 121.104 0.916 18480 2974 1 4 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.223 -0.003 18480 2975 1 4 . 1 1 130 130 ALA C C 130 178.564 178.564 178.843 -0.279 18480 2976 1 4 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.295 0.511 18480 2977 1 4 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.241 -0.281 18480 2978 1 4 . 1 1 130 130 ALA H H 130 7.775 7.775 7.625 0.150 18480 2979 1 4 . 1 1 131 131 GLY N N 131 106.006 106.006 106.336 -0.330 18480 2980 1 4 . 1 1 131 131 GLY C C 131 173.970 173.970 175.480 -1.510 18480 2981 1 4 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.394 -0.281 18480 2982 1 4 . 1 1 131 131 GLY H H 131 8.110 8.110 8.512 -0.402 18480 2983 1 4 . 1 1 132 132 MET N N 132 118.637 118.637 116.511 2.126 18480 2984 1 4 . 1 1 132 132 MET HA H 132 4.401 4.401 4.467 -0.066 18480 2985 1 4 . 1 1 132 132 MET C C 132 175.952 175.952 175.833 0.119 18480 2986 1 4 . 1 1 132 132 MET CA C 132 56.375 56.375 55.672 0.703 18480 2987 1 4 . 1 1 132 132 MET CB C 132 32.939 32.939 30.950 1.989 18480 2988 1 4 . 1 1 132 132 MET H H 132 7.945 7.945 8.210 -0.265 18480 2989 1 4 . 1 1 133 133 ASN N N 133 117.955 117.955 117.462 0.493 18480 2990 1 4 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.579 0.192 18480 2991 1 4 . 1 1 133 133 ASN C C 133 174.646 174.646 176.045 -1.399 18480 2992 1 4 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.336 -0.848 18480 2993 1 4 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.037 1.339 18480 2994 1 4 . 1 1 133 133 ASN H H 133 8.283 8.283 7.767 0.516 18480 2995 1 4 . 1 1 134 134 ASP N N 134 120.891 120.891 121.285 -0.394 18480 2996 1 4 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.528 0.091 18480 2997 1 4 . 1 1 134 134 ASP C C 134 176.162 176.162 176.455 -0.293 18480 2998 1 4 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.828 -1.427 18480 2999 1 4 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.585 -0.412 18480 3000 1 4 . 1 1 134 134 ASP H H 134 8.192 8.192 7.878 0.314 18480 3001 1 4 . 1 1 135 135 VAL N N 135 119.737 119.737 116.512 3.225 18480 3002 1 4 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.644 0.536 18480 3003 1 4 . 1 1 135 135 VAL C C 135 176.162 176.162 175.071 1.091 18480 3004 1 4 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.538 -1.392 18480 3005 1 4 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.318 3.412 18480 3006 1 4 . 1 1 135 135 VAL H H 135 8.056 8.056 8.058 -0.002 18480 3007 1 4 . 1 1 136 136 SER N N 136 119.689 119.689 108.799 10.890 18480 3008 1 4 . 1 1 136 136 SER HA H 136 4.427 4.427 4.087 0.340 18480 3009 1 4 . 1 1 136 136 SER C C 136 173.325 173.325 174.130 -0.805 18480 3010 1 4 . 1 1 136 136 SER CA C 136 58.351 58.351 59.842 -1.491 18480 3011 1 4 . 1 1 136 136 SER CB C 136 64.031 64.031 61.003 3.028 18480 3012 1 4 . 1 1 136 136 SER H H 136 8.355 8.355 8.568 -0.213 18480 3013 1 5 . 1 1 3 3 GLY N N 3 110.996 110.996 110.599 0.397 18480 3014 1 5 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.714 0.763 18480 3015 1 5 . 1 1 3 3 GLY H H 3 8.591 8.591 8.021 0.570 18480 3016 1 5 . 1 1 4 4 ASN N N 4 118.637 118.637 116.824 1.813 18480 3017 1 5 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.652 0.076 18480 3018 1 5 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.568 -0.398 18480 3019 1 5 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.444 -0.380 18480 3020 1 5 . 1 1 4 4 ASN H H 4 8.318 8.318 8.405 -0.087 18480 3021 1 5 . 1 1 5 5 SER N N 5 116.285 116.285 115.557 0.728 18480 3022 1 5 . 1 1 5 5 SER HA H 5 4.352 4.352 4.629 -0.277 18480 3023 1 5 . 1 1 5 5 SER CA C 5 58.593 58.593 57.547 1.046 18480 3024 1 5 . 1 1 5 5 SER CB C 5 63.633 63.633 63.337 0.295 18480 3025 1 5 . 1 1 5 5 SER H H 5 8.280 8.280 7.996 0.284 18480 3026 1 5 . 1 1 6 6 HIS N N 6 119.777 119.777 122.779 -3.002 18480 3027 1 5 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.573 0.165 18480 3028 1 5 . 1 1 6 6 HIS CA C 6 55.344 55.344 57.515 -2.171 18480 3029 1 5 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.562 -1.234 18480 3030 1 5 . 1 1 6 6 HIS H H 6 8.460 8.460 8.531 -0.071 18480 3031 1 5 . 1 1 7 7 THR N N 7 115.111 115.111 111.751 3.360 18480 3032 1 5 . 1 1 7 7 THR HA H 7 4.217 4.217 4.464 -0.247 18480 3033 1 5 . 1 1 7 7 THR C C 7 173.970 173.970 172.787 1.183 18480 3034 1 5 . 1 1 7 7 THR CA C 7 62.118 62.118 61.041 1.077 18480 3035 1 5 . 1 1 7 7 THR CB C 7 69.871 69.871 70.276 -0.405 18480 3036 1 5 . 1 1 7 7 THR H H 7 8.202 8.202 7.759 0.443 18480 3037 1 5 . 1 1 8 8 THR N N 8 113.695 113.695 114.766 -1.071 18480 3038 1 5 . 1 1 8 8 THR HA H 8 4.439 4.439 4.462 -0.023 18480 3039 1 5 . 1 1 8 8 THR C C 8 172.664 172.664 172.753 -0.089 18480 3040 1 5 . 1 1 8 8 THR CA C 8 58.847 58.847 59.200 -0.353 18480 3041 1 5 . 1 1 8 8 THR CB C 8 62.183 62.183 69.076 -6.893 18480 3042 1 5 . 1 1 8 8 THR H H 8 8.113 8.113 7.809 0.304 18480 3043 1 5 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.353 -0.388 18480 3044 1 5 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.678 -1.242 18480 3045 1 5 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.484 -0.313 18480 3046 1 5 . 1 1 10 10 TRP N N 10 108.872 108.872 111.229 -2.357 18480 3047 1 5 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.958 -0.369 18480 3048 1 5 . 1 1 10 10 TRP C C 10 175.817 175.817 175.706 0.111 18480 3049 1 5 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.757 0.415 18480 3050 1 5 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.376 -1.401 18480 3051 1 5 . 1 1 10 10 TRP H H 10 6.511 6.511 7.104 -0.593 18480 3052 1 5 . 1 1 11 11 THR N N 11 113.736 113.736 116.911 -3.175 18480 3053 1 5 . 1 1 11 11 THR HA H 11 3.899 3.899 4.133 -0.234 18480 3054 1 5 . 1 1 11 11 THR C C 11 173.970 173.970 174.024 -0.054 18480 3055 1 5 . 1 1 11 11 THR CA C 11 65.731 65.731 64.767 0.964 18480 3056 1 5 . 1 1 11 11 THR CB C 11 69.609 69.609 68.946 0.663 18480 3057 1 5 . 1 1 11 11 THR H H 11 7.310 7.310 7.681 -0.371 18480 3058 1 5 . 1 1 12 12 ASN N N 12 112.814 112.814 114.591 -1.777 18480 3059 1 5 . 1 1 12 12 ASN HA H 12 4.672 4.672 4.969 -0.297 18480 3060 1 5 . 1 1 12 12 ASN C C 12 172.889 172.889 173.189 -0.300 18480 3061 1 5 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.981 0.147 18480 3062 1 5 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.158 0.541 18480 3063 1 5 . 1 1 12 12 ASN H H 12 7.234 7.234 7.470 -0.236 18480 3064 1 5 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.193 -0.111 18480 3065 1 5 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.989 -0.347 18480 3066 1 5 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.971 0.082 18480 3067 1 5 . 1 1 14 14 GLY N N 14 107.424 107.424 103.579 3.845 18480 3068 1 5 . 1 1 14 14 GLY C C 14 175.952 175.952 174.765 1.187 18480 3069 1 5 . 1 1 14 14 GLY CA C 14 47.190 47.190 45.571 1.619 18480 3070 1 5 . 1 1 14 14 GLY H H 14 8.288 8.288 8.449 -0.161 18480 3071 1 5 . 1 1 15 15 LEU N N 15 122.906 122.906 118.726 4.180 18480 3072 1 5 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.518 -0.487 18480 3073 1 5 . 1 1 15 15 LEU C C 15 178.564 178.564 176.957 1.607 18480 3074 1 5 . 1 1 15 15 LEU CA C 15 57.876 57.876 55.379 2.497 18480 3075 1 5 . 1 1 15 15 LEU CB C 15 42.316 42.316 43.612 -1.296 18480 3076 1 5 . 1 1 15 15 LEU H H 15 7.956 7.956 7.434 0.522 18480 3077 1 5 . 1 1 16 16 ALA N N 16 122.949 122.949 124.004 -1.055 18480 3078 1 5 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.294 -0.189 18480 3079 1 5 . 1 1 16 16 ALA C C 16 179.104 179.104 179.475 -0.371 18480 3080 1 5 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.281 0.699 18480 3081 1 5 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.948 0.187 18480 3082 1 5 . 1 1 16 16 ALA H H 16 7.598 7.598 7.935 -0.337 18480 3083 1 5 . 1 1 17 17 GLU N N 17 116.632 116.632 116.468 0.164 18480 3084 1 5 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.042 -0.222 18480 3085 1 5 . 1 1 17 17 GLU C C 17 177.993 177.993 178.446 -0.453 18480 3086 1 5 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.565 0.484 18480 3087 1 5 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.371 -0.650 18480 3088 1 5 . 1 1 17 17 GLU H H 17 8.097 8.097 8.139 -0.042 18480 3089 1 5 . 1 1 18 18 ASN N N 18 117.645 117.645 119.037 -1.392 18480 3090 1 5 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.490 -0.063 18480 3091 1 5 . 1 1 18 18 ASN C C 18 178.347 178.347 177.164 1.183 18480 3092 1 5 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.449 0.645 18480 3093 1 5 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.149 -0.025 18480 3094 1 5 . 1 1 18 18 ASN H H 18 8.196 8.196 7.920 0.276 18480 3095 1 5 . 1 1 19 19 PHE N N 19 123.188 123.188 122.432 0.756 18480 3096 1 5 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.103 -0.152 18480 3097 1 5 . 1 1 19 19 PHE C C 19 176.837 176.837 177.218 -0.381 18480 3098 1 5 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.957 -0.060 18480 3099 1 5 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.978 0.751 18480 3100 1 5 . 1 1 19 19 PHE H H 19 8.868 8.868 8.436 0.432 18480 3101 1 5 . 1 1 20 20 MET N N 20 118.140 118.140 116.815 1.325 18480 3102 1 5 . 1 1 20 20 MET HA H 20 3.303 3.303 3.541 -0.238 18480 3103 1 5 . 1 1 20 20 MET C C 20 178.924 178.924 178.214 0.710 18480 3104 1 5 . 1 1 20 20 MET CA C 20 60.043 60.043 59.454 0.589 18480 3105 1 5 . 1 1 20 20 MET CB C 20 33.527 33.527 31.599 1.928 18480 3106 1 5 . 1 1 20 20 MET H H 20 7.644 7.644 7.594 0.050 18480 3107 1 5 . 1 1 21 21 ASN N N 21 116.213 116.213 118.756 -2.543 18480 3108 1 5 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.447 0.006 18480 3109 1 5 . 1 1 21 21 ASN C C 21 178.249 178.249 177.984 0.265 18480 3110 1 5 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.380 -0.431 18480 3111 1 5 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.398 -0.301 18480 3112 1 5 . 1 1 21 21 ASN H H 21 8.169 8.169 7.643 0.526 18480 3113 1 5 . 1 1 22 22 SER N N 22 117.086 117.086 116.075 1.011 18480 3114 1 5 . 1 1 22 22 SER HA H 22 4.152 4.152 4.482 -0.331 18480 3115 1 5 . 1 1 22 22 SER C C 22 178.143 178.143 176.340 1.803 18480 3116 1 5 . 1 1 22 22 SER CA C 22 62.154 62.154 61.023 1.131 18480 3117 1 5 . 1 1 22 22 SER CB C 22 62.709 62.709 62.739 -0.030 18480 3118 1 5 . 1 1 22 22 SER H H 22 8.650 8.650 8.566 0.084 18480 3119 1 5 . 1 1 23 23 PHE N N 23 124.044 124.044 124.360 -0.316 18480 3120 1 5 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.140 -0.272 18480 3121 1 5 . 1 1 23 23 PHE C C 23 175.652 175.652 176.906 -1.254 18480 3122 1 5 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.826 1.292 18480 3123 1 5 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.143 -0.893 18480 3124 1 5 . 1 1 23 23 PHE H H 23 8.394 8.394 7.921 0.472 18480 3125 1 5 . 1 1 24 24 MET N N 24 117.794 117.794 116.613 1.181 18480 3126 1 5 . 1 1 24 24 MET HA H 24 4.177 4.177 3.789 0.388 18480 3127 1 5 . 1 1 24 24 MET C C 24 179.797 179.797 178.571 1.226 18480 3128 1 5 . 1 1 24 24 MET CA C 24 56.498 56.498 56.277 0.221 18480 3129 1 5 . 1 1 24 24 MET CB C 24 31.903 31.903 31.069 0.834 18480 3130 1 5 . 1 1 24 24 MET H H 24 7.781 7.781 7.802 -0.021 18480 3131 1 5 . 1 1 25 25 GLN N N 25 119.477 119.477 116.609 2.868 18480 3132 1 5 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.051 -0.087 18480 3133 1 5 . 1 1 25 25 GLN C C 25 179.870 179.870 177.838 2.032 18480 3134 1 5 . 1 1 25 25 GLN CA C 25 58.748 58.748 57.820 0.928 18480 3135 1 5 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.441 -0.056 18480 3136 1 5 . 1 1 25 25 GLN H H 25 8.233 8.233 7.852 0.381 18480 3137 1 5 . 1 1 26 26 GLY N N 26 107.052 107.052 105.844 1.208 18480 3138 1 5 . 1 1 26 26 GLY C C 26 176.387 176.387 175.548 0.839 18480 3139 1 5 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.314 1.359 18480 3140 1 5 . 1 1 26 26 GLY H H 26 7.936 7.936 7.437 0.499 18480 3141 1 5 . 1 1 27 27 LEU N N 27 122.471 122.471 123.051 -0.580 18480 3142 1 5 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.056 -0.338 18480 3143 1 5 . 1 1 27 27 LEU C C 27 178.564 178.564 177.933 0.631 18480 3144 1 5 . 1 1 27 27 LEU CA C 27 57.193 57.193 55.552 1.641 18480 3145 1 5 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.456 0.236 18480 3146 1 5 . 1 1 27 27 LEU H H 27 8.157 8.157 8.033 0.124 18480 3147 1 5 . 1 1 28 28 SER N N 28 109.215 109.215 114.646 -5.431 18480 3148 1 5 . 1 1 28 28 SER HA H 28 4.064 4.064 4.115 -0.051 18480 3149 1 5 . 1 1 28 28 SER C C 28 174.421 174.421 175.126 -0.705 18480 3150 1 5 . 1 1 28 28 SER CA C 28 61.444 61.444 60.817 0.627 18480 3151 1 5 . 1 1 28 28 SER CB C 28 63.210 63.210 63.101 0.109 18480 3152 1 5 . 1 1 28 28 SER H H 28 7.469 7.469 7.770 -0.301 18480 3153 1 5 . 1 1 29 29 SER N N 29 114.308 114.308 115.123 -0.815 18480 3154 1 5 . 1 1 29 29 SER HA H 29 4.667 4.667 4.719 -0.052 18480 3155 1 5 . 1 1 29 29 SER C C 29 173.970 173.970 173.480 0.490 18480 3156 1 5 . 1 1 29 29 SER CA C 29 57.914 57.914 57.882 0.032 18480 3157 1 5 . 1 1 29 29 SER CB C 29 64.359 64.359 63.221 1.138 18480 3158 1 5 . 1 1 29 29 SER H H 29 7.383 7.383 7.474 -0.091 18480 3159 1 5 . 1 1 30 30 MET N N 30 122.604 122.604 122.729 -0.125 18480 3160 1 5 . 1 1 30 30 MET HA H 30 4.882 4.882 4.971 -0.089 18480 3161 1 5 . 1 1 30 30 MET C C 30 174.195 174.195 174.375 -0.180 18480 3162 1 5 . 1 1 30 30 MET CA C 30 53.753 53.753 52.142 1.611 18480 3163 1 5 . 1 1 30 30 MET CB C 30 32.013 32.013 32.081 -0.068 18480 3164 1 5 . 1 1 30 30 MET H H 30 7.804 7.804 7.716 0.088 18480 3165 1 5 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.534 0.132 18480 3166 1 5 . 1 1 31 31 PRO CA C 31 63.697 63.697 63.338 0.359 18480 3167 1 5 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.869 0.084 18480 3168 1 5 . 1 1 32 32 GLY N N 32 104.648 104.648 108.758 -4.110 18480 3169 1 5 . 1 1 32 32 GLY C C 32 172.454 172.454 173.870 -1.416 18480 3170 1 5 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.641 -0.220 18480 3171 1 5 . 1 1 32 32 GLY H H 32 8.363 8.363 8.647 -0.284 18480 3172 1 5 . 1 1 33 33 PHE N N 33 116.917 116.917 123.726 -6.809 18480 3173 1 5 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.648 0.639 18480 3174 1 5 . 1 1 33 33 PHE C C 33 176.387 176.387 175.735 0.652 18480 3175 1 5 . 1 1 33 33 PHE CA C 33 56.902 56.902 58.269 -1.367 18480 3176 1 5 . 1 1 33 33 PHE CB C 33 42.290 42.290 39.522 2.768 18480 3177 1 5 . 1 1 33 33 PHE H H 33 8.118 8.118 7.608 0.510 18480 3178 1 5 . 1 1 34 34 THR N N 34 113.457 113.457 114.859 -1.402 18480 3179 1 5 . 1 1 34 34 THR HA H 34 4.494 4.494 4.586 -0.092 18480 3180 1 5 . 1 1 34 34 THR C C 34 175.066 175.066 175.669 -0.603 18480 3181 1 5 . 1 1 34 34 THR CA C 34 59.946 59.946 59.557 0.389 18480 3182 1 5 . 1 1 34 34 THR CB C 34 70.967 70.967 70.866 0.101 18480 3183 1 5 . 1 1 34 34 THR H H 34 8.727 8.727 8.143 0.584 18480 3184 1 5 . 1 1 35 35 ALA N N 35 122.737 122.737 123.571 -0.834 18480 3185 1 5 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.209 -0.124 18480 3186 1 5 . 1 1 35 35 ALA C C 35 180.755 180.755 179.131 1.624 18480 3187 1 5 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.152 1.371 18480 3188 1 5 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.069 0.001 18480 3189 1 5 . 1 1 35 35 ALA H H 35 8.913 8.913 8.667 0.246 18480 3190 1 5 . 1 1 36 36 SER N N 36 113.331 113.331 112.692 0.639 18480 3191 1 5 . 1 1 36 36 SER HA H 36 4.244 4.244 4.435 -0.191 18480 3192 1 5 . 1 1 36 36 SER C C 36 177.033 177.033 176.555 0.478 18480 3193 1 5 . 1 1 36 36 SER CA C 36 61.453 61.453 60.630 0.823 18480 3194 1 5 . 1 1 36 36 SER CB C 36 62.529 62.529 63.373 -0.844 18480 3195 1 5 . 1 1 36 36 SER H H 36 8.347 8.347 7.899 0.448 18480 3196 1 5 . 1 1 37 37 GLN N N 37 122.548 122.548 123.360 -0.812 18480 3197 1 5 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.154 -0.095 18480 3198 1 5 . 1 1 37 37 GLN C C 37 179.149 179.149 178.396 0.753 18480 3199 1 5 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.376 0.591 18480 3200 1 5 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.377 -0.356 18480 3201 1 5 . 1 1 37 37 GLN H H 37 7.500 7.500 7.596 -0.096 18480 3202 1 5 . 1 1 38 38 LEU N N 38 117.948 117.948 118.286 -0.338 18480 3203 1 5 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.013 -0.121 18480 3204 1 5 . 1 1 38 38 LEU C C 38 179.675 179.675 178.950 0.725 18480 3205 1 5 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.747 0.212 18480 3206 1 5 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.644 -0.151 18480 3207 1 5 . 1 1 38 38 LEU H H 38 8.217 8.217 8.460 -0.243 18480 3208 1 5 . 1 1 39 39 ASP N N 39 120.923 120.923 117.273 3.650 18480 3209 1 5 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.388 0.023 18480 3210 1 5 . 1 1 39 39 ASP C C 39 179.224 179.224 177.034 2.190 18480 3211 1 5 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.191 0.415 18480 3212 1 5 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.819 1.009 18480 3213 1 5 . 1 1 39 39 ASP H H 39 8.192 8.192 7.988 0.204 18480 3214 1 5 . 1 1 40 40 ASP N N 40 123.608 123.608 118.300 5.308 18480 3215 1 5 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.546 -0.329 18480 3216 1 5 . 1 1 40 40 ASP C C 40 179.600 179.600 178.184 1.416 18480 3217 1 5 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.527 2.113 18480 3218 1 5 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.825 -2.514 18480 3219 1 5 . 1 1 40 40 ASP H H 40 8.366 8.366 7.588 0.778 18480 3220 1 5 . 1 1 41 41 MET N N 41 118.772 118.772 117.510 1.262 18480 3221 1 5 . 1 1 41 41 MET HA H 41 3.638 3.638 4.275 -0.637 18480 3222 1 5 . 1 1 41 41 MET C C 41 177.693 177.693 178.155 -0.462 18480 3223 1 5 . 1 1 41 41 MET CA C 41 60.513 60.513 58.549 1.964 18480 3224 1 5 . 1 1 41 41 MET CB C 41 34.320 34.320 31.981 2.339 18480 3225 1 5 . 1 1 41 41 MET H H 41 8.423 8.423 7.742 0.681 18480 3226 1 5 . 1 1 42 42 SER N N 42 115.040 115.040 115.078 -0.038 18480 3227 1 5 . 1 1 42 42 SER HA H 42 4.168 4.168 4.255 -0.087 18480 3228 1 5 . 1 1 42 42 SER C C 42 177.483 177.483 176.252 1.231 18480 3229 1 5 . 1 1 42 42 SER CA C 42 61.923 61.923 61.014 0.909 18480 3230 1 5 . 1 1 42 42 SER CB C 42 63.084 63.084 62.698 0.386 18480 3231 1 5 . 1 1 42 42 SER H H 42 8.901 8.901 8.116 0.785 18480 3232 1 5 . 1 1 43 43 THR N N 43 118.747 118.747 117.970 0.777 18480 3233 1 5 . 1 1 43 43 THR HA H 43 3.914 3.914 4.100 -0.186 18480 3234 1 5 . 1 1 43 43 THR C C 43 177.258 177.258 176.958 0.300 18480 3235 1 5 . 1 1 43 43 THR CA C 43 67.017 67.017 66.231 0.786 18480 3236 1 5 . 1 1 43 43 THR CB C 43 69.500 69.500 68.661 0.839 18480 3237 1 5 . 1 1 43 43 THR H H 43 8.479 8.479 7.654 0.825 18480 3238 1 5 . 1 1 44 44 ILE N N 44 121.898 121.898 121.963 -0.065 18480 3239 1 5 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.939 -0.236 18480 3240 1 5 . 1 1 44 44 ILE C C 44 178.564 178.564 177.488 1.076 18480 3241 1 5 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.312 -0.248 18480 3242 1 5 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.316 -1.107 18480 3243 1 5 . 1 1 44 44 ILE H H 44 7.807 7.807 7.713 0.094 18480 3244 1 5 . 1 1 45 45 ALA N N 45 124.002 124.002 121.430 2.572 18480 3245 1 5 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.098 -0.056 18480 3246 1 5 . 1 1 45 45 ALA C C 45 179.404 179.404 179.129 0.275 18480 3247 1 5 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.270 1.271 18480 3248 1 5 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.655 -0.197 18480 3249 1 5 . 1 1 45 45 ALA H H 45 9.145 9.145 7.853 1.292 18480 3250 1 5 . 1 1 46 46 GLN N N 46 115.753 115.753 114.114 1.639 18480 3251 1 5 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.242 -0.219 18480 3252 1 5 . 1 1 46 46 GLN C C 46 179.014 179.014 177.640 1.374 18480 3253 1 5 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.238 1.715 18480 3254 1 5 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.683 -0.284 18480 3255 1 5 . 1 1 46 46 GLN H H 46 8.459 8.459 7.857 0.602 18480 3256 1 5 . 1 1 47 47 SER N N 47 116.041 116.041 117.749 -1.708 18480 3257 1 5 . 1 1 47 47 SER HA H 47 4.258 4.258 4.263 -0.005 18480 3258 1 5 . 1 1 47 47 SER C C 47 177.483 177.483 176.289 1.194 18480 3259 1 5 . 1 1 47 47 SER CA C 47 62.328 62.328 61.528 0.800 18480 3260 1 5 . 1 1 47 47 SER CB C 47 63.154 63.154 63.050 0.104 18480 3261 1 5 . 1 1 47 47 SER H H 47 7.961 7.961 7.342 0.619 18480 3262 1 5 . 1 1 48 48 MET N N 48 122.349 122.349 119.540 2.809 18480 3263 1 5 . 1 1 48 48 MET HA H 48 4.376 4.376 4.359 0.017 18480 3264 1 5 . 1 1 48 48 MET C C 48 177.798 177.798 178.294 -0.496 18480 3265 1 5 . 1 1 48 48 MET CA C 48 58.198 58.198 57.615 0.583 18480 3266 1 5 . 1 1 48 48 MET CB C 48 32.102 32.102 32.127 -0.025 18480 3267 1 5 . 1 1 48 48 MET H H 48 8.508 8.508 8.220 0.288 18480 3268 1 5 . 1 1 49 49 VAL N N 49 122.061 122.061 116.447 5.614 18480 3269 1 5 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.695 -0.253 18480 3270 1 5 . 1 1 49 49 VAL C C 49 177.910 177.910 177.678 0.232 18480 3271 1 5 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.307 1.616 18480 3272 1 5 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.756 1.003 18480 3273 1 5 . 1 1 49 49 VAL H H 49 8.541 8.541 7.619 0.922 18480 3274 1 5 . 1 1 50 50 GLN N N 50 118.465 118.465 119.495 -1.030 18480 3275 1 5 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.032 0.025 18480 3276 1 5 . 1 1 50 50 GLN C C 50 179.449 179.449 178.402 1.047 18480 3277 1 5 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.808 0.217 18480 3278 1 5 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.126 -0.119 18480 3279 1 5 . 1 1 50 50 GLN H H 50 8.165 8.165 7.713 0.452 18480 3280 1 5 . 1 1 51 51 SER N N 51 117.659 117.659 116.783 0.876 18480 3281 1 5 . 1 1 51 51 SER HA H 51 3.854 3.854 4.167 -0.313 18480 3282 1 5 . 1 1 51 51 SER C C 51 176.374 176.374 176.755 -0.381 18480 3283 1 5 . 1 1 51 51 SER CA C 51 62.642 62.642 61.777 0.865 18480 3284 1 5 . 1 1 51 51 SER CB C 51 63.039 63.039 62.867 0.172 18480 3285 1 5 . 1 1 51 51 SER H H 51 8.199 8.199 7.774 0.424 18480 3286 1 5 . 1 1 52 52 ILE N N 52 122.930 122.930 122.395 0.535 18480 3287 1 5 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.632 -0.252 18480 3288 1 5 . 1 1 52 52 ILE C C 52 178.684 178.684 177.812 0.872 18480 3289 1 5 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.117 1.198 18480 3290 1 5 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.812 -0.264 18480 3291 1 5 . 1 1 52 52 ILE H H 52 8.068 8.068 7.931 0.137 18480 3292 1 5 . 1 1 53 53 GLN N N 53 118.774 118.774 119.309 -0.535 18480 3293 1 5 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.919 -0.006 18480 3294 1 5 . 1 1 53 53 GLN C C 53 179.014 179.014 178.765 0.249 18480 3295 1 5 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.513 -0.345 18480 3296 1 5 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.533 -0.516 18480 3297 1 5 . 1 1 53 53 GLN H H 53 8.459 8.459 8.474 -0.015 18480 3298 1 5 . 1 1 54 54 SER N N 54 115.452 115.452 117.054 -1.602 18480 3299 1 5 . 1 1 54 54 SER HA H 54 4.294 4.294 4.193 0.101 18480 3300 1 5 . 1 1 54 54 SER C C 54 176.822 176.822 176.551 0.271 18480 3301 1 5 . 1 1 54 54 SER CA C 54 61.276 61.276 62.538 -1.262 18480 3302 1 5 . 1 1 54 54 SER CB C 54 62.873 62.873 62.808 0.065 18480 3303 1 5 . 1 1 54 54 SER H H 54 8.330 8.330 8.295 0.035 18480 3304 1 5 . 1 1 55 55 LEU N N 55 121.066 121.066 121.499 -0.433 18480 3305 1 5 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.063 -0.082 18480 3306 1 5 . 1 1 55 55 LEU C C 55 179.434 179.434 178.577 0.857 18480 3307 1 5 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.704 0.272 18480 3308 1 5 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.443 1.163 18480 3309 1 5 . 1 1 55 55 LEU H H 55 8.211 8.211 7.837 0.374 18480 3310 1 5 . 1 1 56 56 ALA N N 56 122.497 122.497 122.212 0.285 18480 3311 1 5 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.128 0.021 18480 3312 1 5 . 1 1 56 56 ALA C C 56 180.530 180.530 179.587 0.943 18480 3313 1 5 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.609 0.460 18480 3314 1 5 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.300 -0.338 18480 3315 1 5 . 1 1 56 56 ALA H H 56 8.902 8.902 8.428 0.474 18480 3316 1 5 . 1 1 57 57 ALA N N 57 122.922 122.922 120.846 2.076 18480 3317 1 5 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.087 0.070 18480 3318 1 5 . 1 1 57 57 ALA C C 57 179.344 179.344 179.636 -0.292 18480 3319 1 5 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.320 0.678 18480 3320 1 5 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.601 -0.572 18480 3321 1 5 . 1 1 57 57 ALA H H 57 8.140 8.140 7.925 0.215 18480 3322 1 5 . 1 1 58 58 GLN N N 58 113.359 113.359 116.200 -2.841 18480 3323 1 5 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.229 0.133 18480 3324 1 5 . 1 1 58 58 GLN C C 58 176.612 176.612 176.463 0.149 18480 3325 1 5 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.877 -0.279 18480 3326 1 5 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.234 1.841 18480 3327 1 5 . 1 1 58 58 GLN H H 58 7.415 7.415 7.870 -0.455 18480 3328 1 5 . 1 1 59 59 GLY N N 59 109.012 109.012 106.566 2.446 18480 3329 1 5 . 1 1 59 59 GLY C C 59 174.856 174.856 174.796 0.060 18480 3330 1 5 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.607 1.154 18480 3331 1 5 . 1 1 59 59 GLY H H 59 7.979 7.979 7.620 0.359 18480 3332 1 5 . 1 1 60 60 ARG N N 60 115.906 115.906 117.827 -1.921 18480 3333 1 5 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.597 0.005 18480 3334 1 5 . 1 1 60 60 ARG C C 60 175.847 175.847 176.475 -0.628 18480 3335 1 5 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.971 0.836 18480 3336 1 5 . 1 1 60 60 ARG CB C 60 32.406 32.406 31.089 1.317 18480 3337 1 5 . 1 1 60 60 ARG H H 60 8.126 8.126 8.550 -0.424 18480 3338 1 5 . 1 1 61 61 THR N N 61 107.985 107.985 114.610 -6.625 18480 3339 1 5 . 1 1 61 61 THR HA H 61 4.125 4.125 4.263 -0.138 18480 3340 1 5 . 1 1 61 61 THR C C 61 173.654 173.654 174.338 -0.684 18480 3341 1 5 . 1 1 61 61 THR CA C 61 62.194 62.194 63.258 -1.064 18480 3342 1 5 . 1 1 61 61 THR CB C 61 69.512 69.512 69.184 0.328 18480 3343 1 5 . 1 1 61 61 THR H H 61 7.663 7.663 7.571 0.092 18480 3344 1 5 . 1 1 62 62 SER N N 62 113.733 113.733 119.715 -5.982 18480 3345 1 5 . 1 1 62 62 SER HA H 62 4.973 4.973 4.875 0.098 18480 3346 1 5 . 1 1 62 62 SER C C 62 173.207 173.207 173.544 -0.337 18480 3347 1 5 . 1 1 62 62 SER CA C 62 56.343 56.343 54.718 1.625 18480 3348 1 5 . 1 1 62 62 SER CB C 62 63.992 63.992 65.239 -1.247 18480 3349 1 5 . 1 1 62 62 SER H H 62 7.057 7.057 7.530 -0.473 18480 3350 1 5 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.412 0.290 18480 3351 1 5 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.473 0.827 18480 3352 1 5 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.017 0.219 18480 3353 1 5 . 1 1 64 64 ASN N N 64 114.886 114.886 117.781 -2.895 18480 3354 1 5 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.452 -0.050 18480 3355 1 5 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.906 -0.655 18480 3356 1 5 . 1 1 64 64 ASN CB C 64 38.037 38.037 38.059 -0.022 18480 3357 1 5 . 1 1 64 64 ASN H H 64 8.642 8.642 8.672 -0.030 18480 3358 1 5 . 1 1 65 65 LYS N N 65 119.774 119.774 120.482 -0.708 18480 3359 1 5 . 1 1 65 65 LYS HA H 65 3.806 3.806 3.987 -0.181 18480 3360 1 5 . 1 1 65 65 LYS C C 65 178.999 178.999 178.687 0.312 18480 3361 1 5 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.075 1.803 18480 3362 1 5 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.419 0.818 18480 3363 1 5 . 1 1 65 65 LYS H H 65 7.882 7.882 7.428 0.454 18480 3364 1 5 . 1 1 66 66 LEU N N 66 117.686 117.686 118.203 -0.517 18480 3365 1 5 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.047 -0.025 18480 3366 1 5 . 1 1 66 66 LEU C C 66 178.928 178.928 179.498 -0.570 18480 3367 1 5 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.471 0.446 18480 3368 1 5 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.904 -0.370 18480 3369 1 5 . 1 1 66 66 LEU H H 66 8.666 8.666 8.361 0.305 18480 3370 1 5 . 1 1 67 67 GLN N N 67 124.469 124.469 119.825 4.644 18480 3371 1 5 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.600 -0.308 18480 3372 1 5 . 1 1 67 67 GLN C C 67 178.789 178.789 177.947 0.842 18480 3373 1 5 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.333 1.558 18480 3374 1 5 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.320 -0.161 18480 3375 1 5 . 1 1 67 67 GLN H H 67 8.997 8.997 7.897 1.100 18480 3376 1 5 . 1 1 68 68 ALA N N 68 121.986 121.986 121.599 0.387 18480 3377 1 5 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.171 -0.361 18480 3378 1 5 . 1 1 68 68 ALA C C 68 180.320 180.320 177.730 2.590 18480 3379 1 5 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.850 1.653 18480 3380 1 5 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.372 -0.160 18480 3381 1 5 . 1 1 68 68 ALA H H 68 7.427 7.427 7.991 -0.564 18480 3382 1 5 . 1 1 69 69 LEU N N 69 118.881 118.881 117.084 1.797 18480 3383 1 5 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.474 -0.422 18480 3384 1 5 . 1 1 69 69 LEU C C 69 178.864 178.864 176.922 1.942 18480 3385 1 5 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.408 3.339 18480 3386 1 5 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.337 -0.443 18480 3387 1 5 . 1 1 69 69 LEU H H 69 8.143 8.143 7.171 0.972 18480 3388 1 5 . 1 1 70 70 ASN N N 70 119.848 119.848 119.715 0.133 18480 3389 1 5 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.696 -0.305 18480 3390 1 5 . 1 1 70 70 ASN C C 70 177.483 177.483 176.766 0.717 18480 3391 1 5 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.788 1.996 18480 3392 1 5 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.709 -0.237 18480 3393 1 5 . 1 1 70 70 ASN H H 70 8.456 8.456 7.901 0.555 18480 3394 1 5 . 1 1 71 71 MET N N 71 118.843 118.843 119.356 -0.513 18480 3395 1 5 . 1 1 71 71 MET HA H 71 4.769 4.769 4.300 0.469 18480 3396 1 5 . 1 1 71 71 MET C C 71 178.279 178.279 177.671 0.608 18480 3397 1 5 . 1 1 71 71 MET CA C 71 56.415 56.415 58.901 -2.486 18480 3398 1 5 . 1 1 71 71 MET CB C 71 29.788 29.788 32.369 -2.581 18480 3399 1 5 . 1 1 71 71 MET H H 71 7.757 7.757 7.553 0.204 18480 3400 1 5 . 1 1 72 72 ALA N N 72 126.265 126.265 122.081 4.184 18480 3401 1 5 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.005 0.237 18480 3402 1 5 . 1 1 72 72 ALA C C 72 179.059 179.059 178.932 0.127 18480 3403 1 5 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.356 -0.230 18480 3404 1 5 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.222 0.701 18480 3405 1 5 . 1 1 72 72 ALA H H 72 8.559 8.559 8.532 0.027 18480 3406 1 5 . 1 1 73 73 PHE N N 73 118.887 118.887 120.253 -1.366 18480 3407 1 5 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.583 -0.520 18480 3408 1 5 . 1 1 73 73 PHE C C 73 177.258 177.258 177.196 0.062 18480 3409 1 5 . 1 1 73 73 PHE CA C 73 61.072 61.072 59.983 1.089 18480 3410 1 5 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.235 0.070 18480 3411 1 5 . 1 1 73 73 PHE H H 73 8.337 8.337 7.521 0.816 18480 3412 1 5 . 1 1 74 74 ALA N N 74 122.360 122.360 121.815 0.545 18480 3413 1 5 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.716 -0.485 18480 3414 1 5 . 1 1 74 74 ALA C C 74 179.374 179.374 179.592 -0.218 18480 3415 1 5 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.227 0.589 18480 3416 1 5 . 1 1 74 74 ALA CB C 74 18.881 18.881 17.997 0.884 18480 3417 1 5 . 1 1 74 74 ALA H H 74 8.540 8.540 7.969 0.571 18480 3418 1 5 . 1 1 75 75 SER N N 75 112.265 112.265 114.050 -1.785 18480 3419 1 5 . 1 1 75 75 SER HA H 75 3.858 3.858 4.227 -0.369 18480 3420 1 5 . 1 1 75 75 SER CA C 75 62.251 62.251 62.424 -0.173 18480 3421 1 5 . 1 1 75 75 SER CB C 75 62.874 62.874 63.396 -0.522 18480 3422 1 5 . 1 1 75 75 SER H H 75 8.859 8.859 8.454 0.405 18480 3423 1 5 . 1 1 76 76 SER N N 76 118.859 118.859 118.918 -0.059 18480 3424 1 5 . 1 1 76 76 SER HA H 76 3.964 3.964 4.570 -0.606 18480 3425 1 5 . 1 1 76 76 SER CA C 76 63.066 63.066 61.157 1.909 18480 3426 1 5 . 1 1 76 76 SER CB C 76 63.377 63.377 63.034 0.343 18480 3427 1 5 . 1 1 76 76 SER H H 76 8.065 8.065 7.681 0.384 18480 3428 1 5 . 1 1 77 77 MET N N 77 120.030 120.030 120.997 -0.967 18480 3429 1 5 . 1 1 77 77 MET HA H 77 4.234 4.234 4.150 0.084 18480 3430 1 5 . 1 1 77 77 MET C C 77 178.354 178.354 178.383 -0.029 18480 3431 1 5 . 1 1 77 77 MET CA C 77 57.167 57.167 56.663 0.504 18480 3432 1 5 . 1 1 77 77 MET CB C 77 32.728 32.728 30.926 1.802 18480 3433 1 5 . 1 1 77 77 MET H H 77 7.397 7.397 7.757 -0.360 18480 3434 1 5 . 1 1 78 78 ALA N N 78 119.880 119.880 122.609 -2.729 18480 3435 1 5 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.122 -0.219 18480 3436 1 5 . 1 1 78 78 ALA C C 78 178.354 178.354 179.767 -1.413 18480 3437 1 5 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.445 -0.305 18480 3438 1 5 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.028 1.073 18480 3439 1 5 . 1 1 78 78 ALA H H 78 7.908 7.908 7.714 0.194 18480 3440 1 5 . 1 1 79 79 GLU N N 79 117.907 117.907 119.526 -1.619 18480 3441 1 5 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.817 0.122 18480 3442 1 5 . 1 1 79 79 GLU C C 79 178.894 178.894 179.159 -0.265 18480 3443 1 5 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.414 0.286 18480 3444 1 5 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.463 0.184 18480 3445 1 5 . 1 1 79 79 GLU H H 79 8.576 8.576 7.957 0.619 18480 3446 1 5 . 1 1 80 80 ILE N N 80 121.918 121.918 118.805 3.113 18480 3447 1 5 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.784 -0.182 18480 3448 1 5 . 1 1 80 80 ILE C C 80 179.014 179.014 177.873 1.141 18480 3449 1 5 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.505 0.626 18480 3450 1 5 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.844 -0.219 18480 3451 1 5 . 1 1 80 80 ILE H H 80 8.065 8.065 7.541 0.524 18480 3452 1 5 . 1 1 81 81 ALA N N 81 120.266 120.266 123.287 -3.021 18480 3453 1 5 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.278 -0.130 18480 3454 1 5 . 1 1 81 81 ALA C C 81 177.258 177.258 179.483 -2.225 18480 3455 1 5 . 1 1 81 81 ALA CA C 81 55.140 55.140 55.066 0.074 18480 3456 1 5 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.820 0.335 18480 3457 1 5 . 1 1 81 81 ALA H H 81 8.169 8.169 8.237 -0.068 18480 3458 1 5 . 1 1 82 82 ALA N N 82 114.813 114.813 117.908 -3.095 18480 3459 1 5 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.122 -0.071 18480 3460 1 5 . 1 1 82 82 ALA C C 82 177.693 177.693 178.843 -1.150 18480 3461 1 5 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.323 -0.556 18480 3462 1 5 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.289 2.710 18480 3463 1 5 . 1 1 82 82 ALA H H 82 8.019 8.019 8.642 -0.623 18480 3464 1 5 . 1 1 83 83 SER N N 83 110.140 110.140 113.838 -3.698 18480 3465 1 5 . 1 1 83 83 SER HA H 83 4.415 4.415 4.367 0.048 18480 3466 1 5 . 1 1 83 83 SER C C 83 174.856 174.856 174.644 0.212 18480 3467 1 5 . 1 1 83 83 SER CA C 83 59.772 59.772 60.418 -0.646 18480 3468 1 5 . 1 1 83 83 SER CB C 83 64.952 64.952 64.327 0.625 18480 3469 1 5 . 1 1 83 83 SER H H 83 7.823 7.823 7.574 0.249 18480 3470 1 5 . 1 1 84 84 GLU N N 84 120.696 120.696 118.576 2.120 18480 3471 1 5 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.615 -0.114 18480 3472 1 5 . 1 1 84 84 GLU C C 84 176.597 176.597 174.611 1.986 18480 3473 1 5 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.481 1.115 18480 3474 1 5 . 1 1 84 84 GLU CB C 84 28.537 28.537 33.431 -4.894 18480 3475 1 5 . 1 1 84 84 GLU H H 84 7.666 7.666 7.717 -0.051 18480 3476 1 5 . 1 1 85 85 GLU N N 85 124.951 124.951 119.609 5.342 18480 3477 1 5 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.365 -0.103 18480 3478 1 5 . 1 1 85 85 GLU C C 85 177.258 177.258 175.031 2.227 18480 3479 1 5 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.302 1.543 18480 3480 1 5 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.384 -1.581 18480 3481 1 5 . 1 1 85 85 GLU H H 85 8.735 8.735 8.561 0.174 18480 3482 1 5 . 1 1 86 86 GLY N N 86 110.356 110.356 108.331 2.025 18480 3483 1 5 . 1 1 86 86 GLY C C 86 174.856 174.856 174.583 0.273 18480 3484 1 5 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.605 -1.216 18480 3485 1 5 . 1 1 86 86 GLY H H 86 8.609 8.609 8.239 0.370 18480 3486 1 5 . 1 1 87 87 GLY N N 87 107.569 107.569 110.500 -2.931 18480 3487 1 5 . 1 1 87 87 GLY C C 87 174.436 174.436 174.502 -0.066 18480 3488 1 5 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.808 -0.548 18480 3489 1 5 . 1 1 87 87 GLY H H 87 7.931 7.931 7.796 0.135 18480 3490 1 5 . 1 1 88 88 GLY N N 88 109.889 109.889 107.601 2.288 18480 3491 1 5 . 1 1 88 88 GLY C C 88 173.325 173.325 173.082 0.243 18480 3492 1 5 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.914 1.252 18480 3493 1 5 . 1 1 88 88 GLY H H 88 8.650 8.650 7.210 1.440 18480 3494 1 5 . 1 1 89 89 SER N N 89 114.731 114.731 113.938 0.793 18480 3495 1 5 . 1 1 89 89 SER HA H 89 4.411 4.411 4.706 -0.295 18480 3496 1 5 . 1 1 89 89 SER C C 89 175.066 175.066 176.192 -1.126 18480 3497 1 5 . 1 1 89 89 SER CA C 89 57.363 57.363 56.377 0.986 18480 3498 1 5 . 1 1 89 89 SER CB C 89 62.483 62.483 65.652 -3.169 18480 3499 1 5 . 1 1 89 89 SER H H 89 8.640 8.640 7.840 0.800 18480 3500 1 5 . 1 1 90 90 LEU N N 90 123.210 123.210 125.031 -1.821 18480 3501 1 5 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.282 -0.307 18480 3502 1 5 . 1 1 90 90 LEU C C 90 179.434 179.434 178.490 0.944 18480 3503 1 5 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.098 0.245 18480 3504 1 5 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.831 -0.467 18480 3505 1 5 . 1 1 90 90 LEU H H 90 8.976 8.976 8.847 0.129 18480 3506 1 5 . 1 1 91 91 SER N N 91 115.789 115.789 112.282 3.507 18480 3507 1 5 . 1 1 91 91 SER HA H 91 4.149 4.149 4.225 -0.076 18480 3508 1 5 . 1 1 91 91 SER C C 91 177.325 177.325 176.313 1.012 18480 3509 1 5 . 1 1 91 91 SER CA C 91 61.794 61.794 61.840 -0.046 18480 3510 1 5 . 1 1 91 91 SER CB C 91 62.276 62.276 62.531 -0.255 18480 3511 1 5 . 1 1 91 91 SER H H 91 8.612 8.612 8.573 0.039 18480 3512 1 5 . 1 1 92 92 THR N N 92 122.677 122.677 118.285 4.392 18480 3513 1 5 . 1 1 92 92 THR HA H 92 3.919 3.919 4.088 -0.169 18480 3514 1 5 . 1 1 92 92 THR C C 92 176.162 176.162 176.534 -0.372 18480 3515 1 5 . 1 1 92 92 THR CA C 92 66.719 66.719 65.978 0.742 18480 3516 1 5 . 1 1 92 92 THR CB C 92 68.236 68.236 68.753 -0.517 18480 3517 1 5 . 1 1 92 92 THR H H 92 7.871 7.871 7.376 0.495 18480 3518 1 5 . 1 1 93 93 LYS N N 93 119.820 119.820 120.165 -0.345 18480 3519 1 5 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.191 -0.622 18480 3520 1 5 . 1 1 93 93 LYS CA C 93 60.652 60.652 58.891 1.761 18480 3521 1 5 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.171 2.557 18480 3522 1 5 . 1 1 93 93 LYS H H 93 8.263 8.263 8.249 0.014 18480 3523 1 5 . 1 1 94 94 THR N N 94 113.759 113.759 116.233 -2.474 18480 3524 1 5 . 1 1 94 94 THR HA H 94 3.692 3.692 4.156 -0.464 18480 3525 1 5 . 1 1 94 94 THR C C 94 177.033 177.033 176.384 0.649 18480 3526 1 5 . 1 1 94 94 THR CA C 94 68.122 68.122 67.326 0.796 18480 3527 1 5 . 1 1 94 94 THR CB C 94 68.342 68.342 68.380 -0.038 18480 3528 1 5 . 1 1 94 94 THR H H 94 8.448 8.448 7.845 0.603 18480 3529 1 5 . 1 1 95 95 SER N N 95 117.547 117.547 116.734 0.813 18480 3530 1 5 . 1 1 95 95 SER HA H 95 4.262 4.262 4.281 -0.019 18480 3531 1 5 . 1 1 95 95 SER C C 95 177.828 177.828 176.432 1.396 18480 3532 1 5 . 1 1 95 95 SER CA C 95 61.758 61.758 61.318 0.440 18480 3533 1 5 . 1 1 95 95 SER CB C 95 62.667 62.667 62.804 -0.137 18480 3534 1 5 . 1 1 95 95 SER H H 95 8.173 8.173 7.747 0.426 18480 3535 1 5 . 1 1 96 96 SER N N 96 121.366 121.366 118.604 2.762 18480 3536 1 5 . 1 1 96 96 SER HA H 96 4.035 4.035 4.225 -0.190 18480 3537 1 5 . 1 1 96 96 SER CA C 96 62.467 62.467 62.236 0.231 18480 3538 1 5 . 1 1 96 96 SER CB C 96 61.755 61.755 63.286 -1.532 18480 3539 1 5 . 1 1 96 96 SER H H 96 8.830 8.830 7.741 1.089 18480 3540 1 5 . 1 1 97 97 ILE N N 97 121.943 121.943 122.319 -0.376 18480 3541 1 5 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.760 0.049 18480 3542 1 5 . 1 1 97 97 ILE C C 97 177.693 177.693 177.750 -0.057 18480 3543 1 5 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.290 0.752 18480 3544 1 5 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.778 -0.242 18480 3545 1 5 . 1 1 97 97 ILE H H 97 8.380 8.380 7.666 0.714 18480 3546 1 5 . 1 1 98 98 ALA N N 98 122.507 122.507 122.297 0.210 18480 3547 1 5 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.055 -0.015 18480 3548 1 5 . 1 1 98 98 ALA C C 98 180.740 180.740 179.526 1.214 18480 3549 1 5 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.421 0.967 18480 3550 1 5 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.032 0.122 18480 3551 1 5 . 1 1 98 98 ALA H H 98 8.624 8.624 7.851 0.773 18480 3552 1 5 . 1 1 99 99 SER N N 99 115.850 115.850 115.174 0.676 18480 3553 1 5 . 1 1 99 99 SER HA H 99 4.325 4.325 4.239 0.086 18480 3554 1 5 . 1 1 99 99 SER C C 99 177.168 177.168 177.166 0.002 18480 3555 1 5 . 1 1 99 99 SER CA C 99 61.867 61.867 61.729 0.138 18480 3556 1 5 . 1 1 99 99 SER CB C 99 63.200 63.200 63.212 -0.013 18480 3557 1 5 . 1 1 99 99 SER H H 99 8.667 8.667 8.459 0.208 18480 3558 1 5 . 1 1 100 100 ALA N N 100 124.410 124.410 124.229 0.181 18480 3559 1 5 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.005 0.137 18480 3560 1 5 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.950 0.438 18480 3561 1 5 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.237 0.390 18480 3562 1 5 . 1 1 100 100 ALA H H 100 8.744 8.744 8.071 0.673 18480 3563 1 5 . 1 1 101 101 MET N N 101 119.346 119.346 118.146 1.200 18480 3564 1 5 . 1 1 101 101 MET HA H 101 4.368 4.368 4.244 0.124 18480 3565 1 5 . 1 1 101 101 MET CA C 101 59.163 59.163 59.812 -0.649 18480 3566 1 5 . 1 1 101 101 MET CB C 101 33.233 33.233 33.079 0.154 18480 3567 1 5 . 1 1 101 101 MET H H 101 9.152 9.152 8.497 0.655 18480 3568 1 5 . 1 1 102 102 SER N N 102 117.124 117.124 115.013 2.111 18480 3569 1 5 . 1 1 102 102 SER HA H 102 4.382 4.382 4.453 -0.071 18480 3570 1 5 . 1 1 102 102 SER CA C 102 63.424 63.424 61.626 1.798 18480 3571 1 5 . 1 1 102 102 SER CB C 102 62.639 62.639 62.494 0.145 18480 3572 1 5 . 1 1 102 102 SER H H 102 8.766 8.766 8.462 0.304 18480 3573 1 5 . 1 1 103 103 ASN N N 103 118.601 118.601 120.980 -2.379 18480 3574 1 5 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.535 -0.069 18480 3575 1 5 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.988 0.651 18480 3576 1 5 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.532 -0.225 18480 3577 1 5 . 1 1 103 103 ASN H H 103 8.298 8.298 7.970 0.328 18480 3578 1 5 . 1 1 104 104 ALA N N 104 122.821 122.821 122.050 0.771 18480 3579 1 5 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.872 0.367 18480 3580 1 5 . 1 1 104 104 ALA C C 104 181.701 181.701 179.511 2.190 18480 3581 1 5 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.682 0.590 18480 3582 1 5 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.810 0.364 18480 3583 1 5 . 1 1 104 104 ALA H H 104 7.969 7.969 7.618 0.351 18480 3584 1 5 . 1 1 105 105 PHE N N 105 119.585 119.585 117.457 2.128 18480 3585 1 5 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.465 -0.257 18480 3586 1 5 . 1 1 105 105 PHE C C 105 179.224 179.224 178.120 1.104 18480 3587 1 5 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.826 2.296 18480 3588 1 5 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.905 0.662 18480 3589 1 5 . 1 1 105 105 PHE H H 105 8.647 8.647 7.923 0.724 18480 3590 1 5 . 1 1 106 106 LEU N N 106 121.925 121.925 117.397 4.528 18480 3591 1 5 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.150 -0.451 18480 3592 1 5 . 1 1 106 106 LEU C C 106 179.074 179.074 178.919 0.155 18480 3593 1 5 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.431 1.624 18480 3594 1 5 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.282 0.180 18480 3595 1 5 . 1 1 106 106 LEU H H 106 8.450 8.450 7.457 0.993 18480 3596 1 5 . 1 1 107 107 GLN N N 107 115.214 115.214 117.270 -2.056 18480 3597 1 5 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.265 -0.163 18480 3598 1 5 . 1 1 107 107 GLN C C 107 176.822 176.822 177.135 -0.313 18480 3599 1 5 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.663 -0.077 18480 3600 1 5 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.964 0.315 18480 3601 1 5 . 1 1 107 107 GLN H H 107 8.444 8.444 7.590 0.854 18480 3602 1 5 . 1 1 108 108 THR N N 108 109.014 109.014 112.069 -3.055 18480 3603 1 5 . 1 1 108 108 THR HA H 108 4.369 4.369 4.435 -0.066 18480 3604 1 5 . 1 1 108 108 THR C C 108 175.952 175.952 176.010 -0.058 18480 3605 1 5 . 1 1 108 108 THR CA C 108 63.658 63.658 63.565 0.093 18480 3606 1 5 . 1 1 108 108 THR CB C 108 70.179 70.179 69.111 1.068 18480 3607 1 5 . 1 1 108 108 THR H H 108 7.631 7.631 7.639 -0.008 18480 3608 1 5 . 1 1 109 109 THR N N 109 110.844 110.844 114.742 -3.898 18480 3609 1 5 . 1 1 109 109 THR HA H 109 4.477 4.477 4.372 0.105 18480 3610 1 5 . 1 1 109 109 THR C C 109 176.162 176.162 175.884 0.278 18480 3611 1 5 . 1 1 109 109 THR CA C 109 61.728 61.728 62.371 -0.643 18480 3612 1 5 . 1 1 109 109 THR CB C 109 70.659 70.659 69.945 0.714 18480 3613 1 5 . 1 1 109 109 THR H H 109 8.623 8.623 7.851 0.772 18480 3614 1 5 . 1 1 110 110 GLY N N 110 109.549 109.549 108.606 0.943 18480 3615 1 5 . 1 1 110 110 GLY C C 110 172.889 172.889 173.283 -0.394 18480 3616 1 5 . 1 1 110 110 GLY CA C 110 45.543 45.543 45.013 0.530 18480 3617 1 5 . 1 1 110 110 GLY H H 110 8.113 8.113 8.270 -0.157 18480 3618 1 5 . 1 1 111 111 VAL N N 111 118.903 118.903 118.697 0.206 18480 3619 1 5 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.468 -0.212 18480 3620 1 5 . 1 1 111 111 VAL C C 111 174.421 174.421 174.069 0.352 18480 3621 1 5 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.727 0.034 18480 3622 1 5 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.495 0.015 18480 3623 1 5 . 1 1 111 111 VAL H H 111 7.724 7.724 7.549 0.175 18480 3624 1 5 . 1 1 112 112 VAL N N 112 124.398 124.398 124.086 0.312 18480 3625 1 5 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.105 -0.872 18480 3626 1 5 . 1 1 112 112 VAL C C 112 174.646 174.646 173.925 0.721 18480 3627 1 5 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.120 3.615 18480 3628 1 5 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.473 -1.667 18480 3629 1 5 . 1 1 112 112 VAL H H 112 8.627 8.627 8.213 0.414 18480 3630 1 5 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.627 -0.058 18480 3631 1 5 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.212 -1.006 18480 3632 1 5 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.990 -0.609 18480 3633 1 5 . 1 1 114 114 GLN N N 114 125.364 125.364 127.213 -1.849 18480 3634 1 5 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.280 -0.340 18480 3635 1 5 . 1 1 114 114 GLN C C 114 174.811 174.811 175.449 -0.638 18480 3636 1 5 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.008 -1.372 18480 3637 1 5 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.716 -1.624 18480 3638 1 5 . 1 1 114 114 GLN H H 114 8.731 8.731 8.744 -0.013 18480 3639 1 5 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.241 0.027 18480 3640 1 5 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.313 1.348 18480 3641 1 5 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.097 0.100 18480 3642 1 5 . 1 1 116 116 PHE N N 116 118.102 118.102 118.130 -0.028 18480 3643 1 5 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.269 -0.008 18480 3644 1 5 . 1 1 116 116 PHE C C 116 176.597 176.597 176.955 -0.358 18480 3645 1 5 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.198 0.092 18480 3646 1 5 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.475 0.105 18480 3647 1 5 . 1 1 116 116 PHE H H 116 7.712 7.712 7.484 0.229 18480 3648 1 5 . 1 1 117 117 ILE N N 117 118.950 118.950 117.545 1.405 18480 3649 1 5 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.942 -0.288 18480 3650 1 5 . 1 1 117 117 ILE C C 117 178.789 178.789 177.815 0.974 18480 3651 1 5 . 1 1 117 117 ILE CA C 117 64.640 64.640 62.891 1.749 18480 3652 1 5 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.619 -0.105 18480 3653 1 5 . 1 1 117 117 ILE H H 117 7.747 7.747 7.786 -0.039 18480 3654 1 5 . 1 1 118 118 ASN N N 118 119.204 119.204 119.137 0.067 18480 3655 1 5 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.427 -0.060 18480 3656 1 5 . 1 1 118 118 ASN C C 118 177.033 177.033 177.771 -0.738 18480 3657 1 5 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.843 -1.062 18480 3658 1 5 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.361 -0.876 18480 3659 1 5 . 1 1 118 118 ASN H H 118 8.847 8.847 7.684 1.163 18480 3660 1 5 . 1 1 119 119 GLU N N 119 120.684 120.684 118.568 2.116 18480 3661 1 5 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.018 -0.053 18480 3662 1 5 . 1 1 119 119 GLU C C 119 178.564 178.564 178.451 0.113 18480 3663 1 5 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.902 0.212 18480 3664 1 5 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.933 -0.415 18480 3665 1 5 . 1 1 119 119 GLU H H 119 8.081 8.081 7.589 0.492 18480 3666 1 5 . 1 1 120 120 ILE N N 120 118.037 118.037 117.732 0.305 18480 3667 1 5 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.865 -0.293 18480 3668 1 5 . 1 1 120 120 ILE C C 120 178.279 178.279 178.194 0.085 18480 3669 1 5 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.743 -0.645 18480 3670 1 5 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.423 -1.171 18480 3671 1 5 . 1 1 120 120 ILE H H 120 7.948 7.948 7.329 0.619 18480 3672 1 5 . 1 1 121 121 THR N N 121 113.671 113.671 112.284 1.387 18480 3673 1 5 . 1 1 121 121 THR HA H 121 3.804 3.804 4.033 -0.229 18480 3674 1 5 . 1 1 121 121 THR C C 121 177.258 177.258 176.634 0.624 18480 3675 1 5 . 1 1 121 121 THR CA C 121 66.771 66.771 65.894 0.877 18480 3676 1 5 . 1 1 121 121 THR CB C 121 68.293 68.293 68.201 0.092 18480 3677 1 5 . 1 1 121 121 THR H H 121 8.345 8.345 7.736 0.609 18480 3678 1 5 . 1 1 122 122 GLN N N 122 121.849 121.849 121.018 0.831 18480 3679 1 5 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.064 -0.065 18480 3680 1 5 . 1 1 122 122 GLN C C 122 179.014 179.014 178.143 0.871 18480 3681 1 5 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.557 0.209 18480 3682 1 5 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.440 -0.008 18480 3683 1 5 . 1 1 122 122 GLN H H 122 7.589 7.589 7.452 0.137 18480 3684 1 5 . 1 1 123 123 LEU N N 123 120.855 120.855 120.583 0.272 18480 3685 1 5 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.460 -0.042 18480 3686 1 5 . 1 1 123 123 LEU C C 123 178.354 178.354 178.636 -0.282 18480 3687 1 5 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.647 0.169 18480 3688 1 5 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.360 -0.509 18480 3689 1 5 . 1 1 123 123 LEU H H 123 8.081 8.081 7.649 0.432 18480 3690 1 5 . 1 1 124 124 VAL N N 124 115.864 115.864 117.291 -1.427 18480 3691 1 5 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.754 -0.404 18480 3692 1 5 . 1 1 124 124 VAL C C 124 177.453 177.453 178.512 -1.059 18480 3693 1 5 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.364 1.109 18480 3694 1 5 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.315 0.291 18480 3695 1 5 . 1 1 124 124 VAL H H 124 7.574 7.574 7.621 -0.047 18480 3696 1 5 . 1 1 125 125 SER N N 125 110.334 110.334 114.709 -4.375 18480 3697 1 5 . 1 1 125 125 SER HA H 125 4.054 4.054 4.189 -0.135 18480 3698 1 5 . 1 1 125 125 SER C C 125 175.937 175.937 176.364 -0.427 18480 3699 1 5 . 1 1 125 125 SER CA C 125 61.763 61.763 61.454 0.309 18480 3700 1 5 . 1 1 125 125 SER CB C 125 62.864 62.864 63.263 -0.399 18480 3701 1 5 . 1 1 125 125 SER H H 125 6.950 6.950 7.292 -0.342 18480 3702 1 5 . 1 1 126 126 MET N N 126 121.750 121.750 119.824 1.926 18480 3703 1 5 . 1 1 126 126 MET HA H 126 3.951 3.951 4.117 -0.166 18480 3704 1 5 . 1 1 126 126 MET C C 126 179.254 179.254 178.389 0.865 18480 3705 1 5 . 1 1 126 126 MET CA C 126 59.246 59.246 58.975 0.271 18480 3706 1 5 . 1 1 126 126 MET CB C 126 33.265 33.265 32.125 1.140 18480 3707 1 5 . 1 1 126 126 MET H H 126 8.113 8.113 8.218 -0.105 18480 3708 1 5 . 1 1 127 127 PHE N N 127 118.909 118.909 118.351 0.558 18480 3709 1 5 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.261 0.382 18480 3710 1 5 . 1 1 127 127 PHE C C 127 178.128 178.128 177.492 0.636 18480 3711 1 5 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.372 -2.613 18480 3712 1 5 . 1 1 127 127 PHE CB C 127 37.061 37.061 36.977 0.084 18480 3713 1 5 . 1 1 127 127 PHE H H 127 8.791 8.791 7.863 0.928 18480 3714 1 5 . 1 1 128 128 ALA N N 128 122.620 122.620 120.134 2.486 18480 3715 1 5 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.155 0.021 18480 3716 1 5 . 1 1 128 128 ALA C C 128 178.789 178.789 179.367 -0.578 18480 3717 1 5 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.833 -0.168 18480 3718 1 5 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.546 0.619 18480 3719 1 5 . 1 1 128 128 ALA H H 128 8.235 8.235 7.680 0.555 18480 3720 1 5 . 1 1 129 129 GLN N N 129 116.507 116.507 117.554 -1.047 18480 3721 1 5 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.137 0.088 18480 3722 1 5 . 1 1 129 129 GLN C C 129 177.258 177.258 178.258 -1.000 18480 3723 1 5 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.861 -0.843 18480 3724 1 5 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.712 0.413 18480 3725 1 5 . 1 1 129 129 GLN H H 129 7.715 7.715 7.587 0.128 18480 3726 1 5 . 1 1 130 130 ALA N N 130 122.020 122.020 121.169 0.851 18480 3727 1 5 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.167 0.053 18480 3728 1 5 . 1 1 130 130 ALA C C 130 178.564 178.564 178.746 -0.182 18480 3729 1 5 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.768 0.038 18480 3730 1 5 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.785 0.175 18480 3731 1 5 . 1 1 130 130 ALA H H 130 7.775 7.775 7.897 -0.122 18480 3732 1 5 . 1 1 131 131 GLY N N 131 106.006 106.006 105.575 0.431 18480 3733 1 5 . 1 1 131 131 GLY C C 131 173.970 173.970 175.807 -1.837 18480 3734 1 5 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.280 -0.167 18480 3735 1 5 . 1 1 131 131 GLY H H 131 8.110 8.110 8.072 0.038 18480 3736 1 5 . 1 1 132 132 MET N N 132 118.637 118.637 118.194 0.443 18480 3737 1 5 . 1 1 132 132 MET HA H 132 4.401 4.401 4.424 -0.023 18480 3738 1 5 . 1 1 132 132 MET C C 132 175.952 175.952 176.260 -0.308 18480 3739 1 5 . 1 1 132 132 MET CA C 132 56.375 56.375 56.528 -0.153 18480 3740 1 5 . 1 1 132 132 MET CB C 132 32.939 32.939 31.369 1.570 18480 3741 1 5 . 1 1 132 132 MET H H 132 7.945 7.945 8.224 -0.279 18480 3742 1 5 . 1 1 133 133 ASN N N 133 117.955 117.955 117.271 0.684 18480 3743 1 5 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.568 0.203 18480 3744 1 5 . 1 1 133 133 ASN C C 133 174.646 174.646 176.143 -1.497 18480 3745 1 5 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.110 -0.622 18480 3746 1 5 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.763 0.613 18480 3747 1 5 . 1 1 133 133 ASN H H 133 8.283 8.283 8.166 0.117 18480 3748 1 5 . 1 1 134 134 ASP N N 134 120.891 120.891 121.237 -0.346 18480 3749 1 5 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.536 0.083 18480 3750 1 5 . 1 1 134 134 ASP C C 134 176.162 176.162 176.883 -0.721 18480 3751 1 5 . 1 1 134 134 ASP CA C 134 54.401 54.401 56.070 -1.669 18480 3752 1 5 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.528 -0.355 18480 3753 1 5 . 1 1 134 134 ASP H H 134 8.192 8.192 7.964 0.228 18480 3754 1 5 . 1 1 135 135 VAL N N 135 119.737 119.737 116.008 3.729 18480 3755 1 5 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.611 0.569 18480 3756 1 5 . 1 1 135 135 VAL C C 135 176.162 176.162 175.058 1.104 18480 3757 1 5 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.515 -1.369 18480 3758 1 5 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.590 3.140 18480 3759 1 5 . 1 1 135 135 VAL H H 135 8.056 8.056 8.116 -0.060 18480 3760 1 5 . 1 1 136 136 SER N N 136 119.689 119.689 110.115 9.574 18480 3761 1 5 . 1 1 136 136 SER HA H 136 4.427 4.427 4.036 0.391 18480 3762 1 5 . 1 1 136 136 SER C C 136 173.325 173.325 174.875 -1.550 18480 3763 1 5 . 1 1 136 136 SER CA C 136 58.351 58.351 59.646 -1.295 18480 3764 1 5 . 1 1 136 136 SER CB C 136 64.031 64.031 60.916 3.115 18480 3765 1 5 . 1 1 136 136 SER H H 136 8.355 8.355 8.612 -0.257 18480 3766 1 6 . 1 1 3 3 GLY N N 3 110.996 110.996 108.952 2.044 18480 3767 1 6 . 1 1 3 3 GLY CA C 3 45.476 45.476 45.056 0.420 18480 3768 1 6 . 1 1 3 3 GLY H H 3 8.591 8.591 7.748 0.843 18480 3769 1 6 . 1 1 4 4 ASN N N 4 118.637 118.637 121.784 -3.147 18480 3770 1 6 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.802 -0.074 18480 3771 1 6 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.628 0.542 18480 3772 1 6 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.141 -0.077 18480 3773 1 6 . 1 1 4 4 ASN H H 4 8.318 8.318 8.728 -0.410 18480 3774 1 6 . 1 1 5 5 SER N N 5 116.285 116.285 115.611 0.674 18480 3775 1 6 . 1 1 5 5 SER HA H 5 4.352 4.352 4.269 0.083 18480 3776 1 6 . 1 1 5 5 SER CA C 5 58.593 58.593 58.773 -0.180 18480 3777 1 6 . 1 1 5 5 SER CB C 5 63.633 63.633 62.852 0.781 18480 3778 1 6 . 1 1 5 5 SER H H 5 8.280 8.280 7.946 0.334 18480 3779 1 6 . 1 1 6 6 HIS N N 6 119.777 119.777 121.194 -1.417 18480 3780 1 6 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.781 -0.043 18480 3781 1 6 . 1 1 6 6 HIS CA C 6 55.344 55.344 54.706 0.638 18480 3782 1 6 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.082 -1.754 18480 3783 1 6 . 1 1 6 6 HIS H H 6 8.460 8.460 7.757 0.703 18480 3784 1 6 . 1 1 7 7 THR N N 7 115.111 115.111 113.764 1.347 18480 3785 1 6 . 1 1 7 7 THR HA H 7 4.217 4.217 4.510 -0.293 18480 3786 1 6 . 1 1 7 7 THR C C 7 173.970 173.970 173.727 0.243 18480 3787 1 6 . 1 1 7 7 THR CA C 7 62.118 62.118 61.198 0.920 18480 3788 1 6 . 1 1 7 7 THR CB C 7 69.871 69.871 69.509 0.362 18480 3789 1 6 . 1 1 7 7 THR H H 7 8.202 8.202 8.374 -0.172 18480 3790 1 6 . 1 1 8 8 THR N N 8 113.695 113.695 112.976 0.719 18480 3791 1 6 . 1 1 8 8 THR HA H 8 4.439 4.439 4.549 -0.110 18480 3792 1 6 . 1 1 8 8 THR C C 8 172.664 172.664 172.669 -0.005 18480 3793 1 6 . 1 1 8 8 THR CA C 8 58.847 58.847 58.830 0.017 18480 3794 1 6 . 1 1 8 8 THR CB C 8 62.183 62.183 69.608 -7.425 18480 3795 1 6 . 1 1 8 8 THR H H 8 8.113 8.113 7.645 0.468 18480 3796 1 6 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.353 -0.388 18480 3797 1 6 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.233 -0.797 18480 3798 1 6 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.666 -0.495 18480 3799 1 6 . 1 1 10 10 TRP N N 10 108.872 108.872 111.907 -3.035 18480 3800 1 6 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.874 -0.285 18480 3801 1 6 . 1 1 10 10 TRP C C 10 175.817 175.817 175.929 -0.112 18480 3802 1 6 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.770 0.402 18480 3803 1 6 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.809 -0.834 18480 3804 1 6 . 1 1 10 10 TRP H H 10 6.511 6.511 7.010 -0.499 18480 3805 1 6 . 1 1 11 11 THR N N 11 113.736 113.736 116.374 -2.638 18480 3806 1 6 . 1 1 11 11 THR HA H 11 3.899 3.899 4.131 -0.232 18480 3807 1 6 . 1 1 11 11 THR C C 11 173.970 173.970 174.066 -0.096 18480 3808 1 6 . 1 1 11 11 THR CA C 11 65.731 65.731 64.338 1.393 18480 3809 1 6 . 1 1 11 11 THR CB C 11 69.609 69.609 69.057 0.552 18480 3810 1 6 . 1 1 11 11 THR H H 11 7.310 7.310 7.476 -0.166 18480 3811 1 6 . 1 1 12 12 ASN N N 12 112.814 112.814 116.608 -3.794 18480 3812 1 6 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.147 -0.475 18480 3813 1 6 . 1 1 12 12 ASN C C 12 172.889 172.889 173.078 -0.189 18480 3814 1 6 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.874 1.254 18480 3815 1 6 . 1 1 12 12 ASN CB C 12 38.699 38.699 37.947 0.752 18480 3816 1 6 . 1 1 12 12 ASN H H 12 7.234 7.234 7.491 -0.257 18480 3817 1 6 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.283 -0.201 18480 3818 1 6 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.298 -0.656 18480 3819 1 6 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.808 0.246 18480 3820 1 6 . 1 1 14 14 GLY N N 14 107.424 107.424 106.510 0.914 18480 3821 1 6 . 1 1 14 14 GLY C C 14 175.952 175.952 176.591 -0.639 18480 3822 1 6 . 1 1 14 14 GLY CA C 14 47.190 47.190 47.029 0.161 18480 3823 1 6 . 1 1 14 14 GLY H H 14 8.288 8.288 8.359 -0.071 18480 3824 1 6 . 1 1 15 15 LEU N N 15 122.906 122.906 122.242 0.664 18480 3825 1 6 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.977 0.053 18480 3826 1 6 . 1 1 15 15 LEU C C 15 178.564 178.564 179.013 -0.449 18480 3827 1 6 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.268 0.608 18480 3828 1 6 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.545 0.771 18480 3829 1 6 . 1 1 15 15 LEU H H 15 7.956 7.956 8.822 -0.866 18480 3830 1 6 . 1 1 16 16 ALA N N 16 122.949 122.949 122.831 0.118 18480 3831 1 6 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.056 0.049 18480 3832 1 6 . 1 1 16 16 ALA C C 16 179.104 179.104 179.686 -0.582 18480 3833 1 6 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.223 0.757 18480 3834 1 6 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.474 0.660 18480 3835 1 6 . 1 1 16 16 ALA H H 16 7.598 7.598 7.921 -0.323 18480 3836 1 6 . 1 1 17 17 GLU N N 17 116.632 116.632 116.998 -0.366 18480 3837 1 6 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.938 -0.118 18480 3838 1 6 . 1 1 17 17 GLU C C 17 177.993 177.993 178.655 -0.662 18480 3839 1 6 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.522 0.527 18480 3840 1 6 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.329 -0.608 18480 3841 1 6 . 1 1 17 17 GLU H H 17 8.097 8.097 8.120 -0.023 18480 3842 1 6 . 1 1 18 18 ASN N N 18 117.645 117.645 119.344 -1.699 18480 3843 1 6 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.454 -0.027 18480 3844 1 6 . 1 1 18 18 ASN C C 18 178.347 178.347 177.413 0.934 18480 3845 1 6 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.176 -0.082 18480 3846 1 6 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.275 -0.151 18480 3847 1 6 . 1 1 18 18 ASN H H 18 8.196 8.196 8.072 0.124 18480 3848 1 6 . 1 1 19 19 PHE N N 19 123.188 123.188 121.391 1.797 18480 3849 1 6 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.085 -0.134 18480 3850 1 6 . 1 1 19 19 PHE C C 19 176.837 176.837 177.308 -0.471 18480 3851 1 6 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.746 0.151 18480 3852 1 6 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.024 0.705 18480 3853 1 6 . 1 1 19 19 PHE H H 19 8.868 8.868 8.446 0.422 18480 3854 1 6 . 1 1 20 20 MET N N 20 118.140 118.140 116.999 1.141 18480 3855 1 6 . 1 1 20 20 MET HA H 20 3.303 3.303 3.595 -0.292 18480 3856 1 6 . 1 1 20 20 MET C C 20 178.924 178.924 178.261 0.663 18480 3857 1 6 . 1 1 20 20 MET CA C 20 60.043 60.043 59.427 0.616 18480 3858 1 6 . 1 1 20 20 MET CB C 20 33.527 33.527 31.803 1.724 18480 3859 1 6 . 1 1 20 20 MET H H 20 7.644 7.644 7.416 0.228 18480 3860 1 6 . 1 1 21 21 ASN N N 21 116.213 116.213 118.742 -2.529 18480 3861 1 6 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.417 0.036 18480 3862 1 6 . 1 1 21 21 ASN C C 21 178.249 178.249 177.741 0.508 18480 3863 1 6 . 1 1 21 21 ASN CA C 21 55.949 55.949 57.002 -1.053 18480 3864 1 6 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.468 -0.371 18480 3865 1 6 . 1 1 21 21 ASN H H 21 8.169 8.169 8.359 -0.190 18480 3866 1 6 . 1 1 22 22 SER N N 22 117.086 117.086 113.986 3.100 18480 3867 1 6 . 1 1 22 22 SER HA H 22 4.152 4.152 4.222 -0.070 18480 3868 1 6 . 1 1 22 22 SER C C 22 178.143 178.143 174.792 3.351 18480 3869 1 6 . 1 1 22 22 SER CA C 22 62.154 62.154 61.018 1.136 18480 3870 1 6 . 1 1 22 22 SER CB C 22 62.709 62.709 62.960 -0.251 18480 3871 1 6 . 1 1 22 22 SER H H 22 8.650 8.650 8.491 0.159 18480 3872 1 6 . 1 1 23 23 PHE N N 23 124.044 124.044 122.328 1.716 18480 3873 1 6 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.382 -0.514 18480 3874 1 6 . 1 1 23 23 PHE C C 23 175.652 175.652 176.364 -0.712 18480 3875 1 6 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.058 2.060 18480 3876 1 6 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.973 -1.723 18480 3877 1 6 . 1 1 23 23 PHE H H 23 8.394 8.394 7.265 1.129 18480 3878 1 6 . 1 1 24 24 MET N N 24 117.794 117.794 118.533 -0.739 18480 3879 1 6 . 1 1 24 24 MET HA H 24 4.177 4.177 3.838 0.339 18480 3880 1 6 . 1 1 24 24 MET C C 24 179.797 179.797 178.561 1.236 18480 3881 1 6 . 1 1 24 24 MET CA C 24 56.498 56.498 57.062 -0.564 18480 3882 1 6 . 1 1 24 24 MET CB C 24 31.903 31.903 31.262 0.640 18480 3883 1 6 . 1 1 24 24 MET H H 24 7.781 7.781 8.638 -0.857 18480 3884 1 6 . 1 1 25 25 GLN N N 25 119.477 119.477 117.801 1.676 18480 3885 1 6 . 1 1 25 25 GLN HA H 25 3.964 3.964 3.975 -0.011 18480 3886 1 6 . 1 1 25 25 GLN C C 25 179.870 179.870 178.073 1.797 18480 3887 1 6 . 1 1 25 25 GLN CA C 25 58.748 58.748 59.255 -0.507 18480 3888 1 6 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.873 0.511 18480 3889 1 6 . 1 1 25 25 GLN H H 25 8.233 8.233 8.085 0.148 18480 3890 1 6 . 1 1 26 26 GLY N N 26 107.052 107.052 108.352 -1.300 18480 3891 1 6 . 1 1 26 26 GLY C C 26 176.387 176.387 176.377 0.010 18480 3892 1 6 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.861 0.812 18480 3893 1 6 . 1 1 26 26 GLY H H 26 7.936 7.936 7.285 0.651 18480 3894 1 6 . 1 1 27 27 LEU N N 27 122.471 122.471 122.849 -0.378 18480 3895 1 6 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.903 -0.185 18480 3896 1 6 . 1 1 27 27 LEU C C 27 178.564 178.564 178.733 -0.169 18480 3897 1 6 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.574 0.619 18480 3898 1 6 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.235 0.458 18480 3899 1 6 . 1 1 27 27 LEU H H 27 8.157 8.157 8.217 -0.060 18480 3900 1 6 . 1 1 28 28 SER N N 28 109.215 109.215 114.040 -4.825 18480 3901 1 6 . 1 1 28 28 SER HA H 28 4.064 4.064 4.214 -0.150 18480 3902 1 6 . 1 1 28 28 SER C C 28 174.421 174.421 175.355 -0.934 18480 3903 1 6 . 1 1 28 28 SER CA C 28 61.444 61.444 60.440 1.004 18480 3904 1 6 . 1 1 28 28 SER CB C 28 63.210 63.210 62.849 0.361 18480 3905 1 6 . 1 1 28 28 SER H H 28 7.469 7.469 8.132 -0.663 18480 3906 1 6 . 1 1 29 29 SER N N 29 114.308 114.308 114.740 -0.432 18480 3907 1 6 . 1 1 29 29 SER HA H 29 4.667 4.667 4.524 0.143 18480 3908 1 6 . 1 1 29 29 SER C C 29 173.970 173.970 174.238 -0.268 18480 3909 1 6 . 1 1 29 29 SER CA C 29 57.914 57.914 58.641 -0.727 18480 3910 1 6 . 1 1 29 29 SER CB C 29 64.359 64.359 63.677 0.682 18480 3911 1 6 . 1 1 29 29 SER H H 29 7.383 7.383 7.494 -0.111 18480 3912 1 6 . 1 1 30 30 MET N N 30 122.604 122.604 121.407 1.197 18480 3913 1 6 . 1 1 30 30 MET HA H 30 4.882 4.882 4.887 -0.005 18480 3914 1 6 . 1 1 30 30 MET C C 30 174.195 174.195 174.156 0.039 18480 3915 1 6 . 1 1 30 30 MET CA C 30 53.753 53.753 51.378 2.375 18480 3916 1 6 . 1 1 30 30 MET CB C 30 32.013 32.013 31.829 0.184 18480 3917 1 6 . 1 1 30 30 MET H H 30 7.804 7.804 7.518 0.286 18480 3918 1 6 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.617 0.049 18480 3919 1 6 . 1 1 31 31 PRO CA C 31 63.697 63.697 63.097 0.600 18480 3920 1 6 . 1 1 31 31 PRO CB C 31 32.953 32.953 33.123 -0.170 18480 3921 1 6 . 1 1 32 32 GLY N N 32 104.648 104.648 108.240 -3.592 18480 3922 1 6 . 1 1 32 32 GLY C C 32 172.454 172.454 173.523 -1.069 18480 3923 1 6 . 1 1 32 32 GLY CA C 32 45.421 45.421 44.903 0.518 18480 3924 1 6 . 1 1 32 32 GLY H H 32 8.363 8.363 8.545 -0.182 18480 3925 1 6 . 1 1 33 33 PHE N N 33 116.917 116.917 123.217 -6.300 18480 3926 1 6 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.733 0.554 18480 3927 1 6 . 1 1 33 33 PHE C C 33 176.387 176.387 175.482 0.905 18480 3928 1 6 . 1 1 33 33 PHE CA C 33 56.902 56.902 58.043 -1.141 18480 3929 1 6 . 1 1 33 33 PHE CB C 33 42.290 42.290 39.707 2.583 18480 3930 1 6 . 1 1 33 33 PHE H H 33 8.118 8.118 7.837 0.281 18480 3931 1 6 . 1 1 34 34 THR N N 34 113.457 113.457 114.335 -0.878 18480 3932 1 6 . 1 1 34 34 THR HA H 34 4.494 4.494 4.681 -0.187 18480 3933 1 6 . 1 1 34 34 THR C C 34 175.066 175.066 175.661 -0.595 18480 3934 1 6 . 1 1 34 34 THR CA C 34 59.946 59.946 59.217 0.729 18480 3935 1 6 . 1 1 34 34 THR CB C 34 70.967 70.967 71.200 -0.232 18480 3936 1 6 . 1 1 34 34 THR H H 34 8.727 8.727 8.148 0.579 18480 3937 1 6 . 1 1 35 35 ALA N N 35 122.737 122.737 124.317 -1.580 18480 3938 1 6 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.032 0.053 18480 3939 1 6 . 1 1 35 35 ALA C C 35 180.755 180.755 179.894 0.861 18480 3940 1 6 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.497 0.026 18480 3941 1 6 . 1 1 35 35 ALA CB C 35 18.070 18.070 17.888 0.182 18480 3942 1 6 . 1 1 35 35 ALA H H 35 8.913 8.913 8.696 0.217 18480 3943 1 6 . 1 1 36 36 SER N N 36 113.331 113.331 112.832 0.499 18480 3944 1 6 . 1 1 36 36 SER HA H 36 4.244 4.244 4.274 -0.030 18480 3945 1 6 . 1 1 36 36 SER C C 36 177.033 177.033 176.955 0.078 18480 3946 1 6 . 1 1 36 36 SER CA C 36 61.453 61.453 61.437 0.016 18480 3947 1 6 . 1 1 36 36 SER CB C 36 62.529 62.529 62.384 0.145 18480 3948 1 6 . 1 1 36 36 SER H H 36 8.347 8.347 8.417 -0.070 18480 3949 1 6 . 1 1 37 37 GLN N N 37 122.548 122.548 120.134 2.414 18480 3950 1 6 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.324 -0.265 18480 3951 1 6 . 1 1 37 37 GLN C C 37 179.149 179.149 178.131 1.018 18480 3952 1 6 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.347 1.620 18480 3953 1 6 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.811 -0.790 18480 3954 1 6 . 1 1 37 37 GLN H H 37 7.500 7.500 7.447 0.053 18480 3955 1 6 . 1 1 38 38 LEU N N 38 117.948 117.948 122.208 -4.260 18480 3956 1 6 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.164 -0.272 18480 3957 1 6 . 1 1 38 38 LEU C C 38 179.675 179.675 178.796 0.879 18480 3958 1 6 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.479 0.480 18480 3959 1 6 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.548 -0.055 18480 3960 1 6 . 1 1 38 38 LEU H H 38 8.217 8.217 8.877 -0.660 18480 3961 1 6 . 1 1 39 39 ASP N N 39 120.923 120.923 118.625 2.298 18480 3962 1 6 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.331 0.080 18480 3963 1 6 . 1 1 39 39 ASP C C 39 179.224 179.224 178.212 1.012 18480 3964 1 6 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.160 -0.554 18480 3965 1 6 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.834 0.994 18480 3966 1 6 . 1 1 39 39 ASP H H 39 8.192 8.192 8.008 0.184 18480 3967 1 6 . 1 1 40 40 ASP N N 40 123.608 123.608 119.004 4.604 18480 3968 1 6 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.595 -0.378 18480 3969 1 6 . 1 1 40 40 ASP C C 40 179.600 179.600 178.277 1.323 18480 3970 1 6 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.015 2.625 18480 3971 1 6 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.461 -2.149 18480 3972 1 6 . 1 1 40 40 ASP H H 40 8.366 8.366 7.649 0.717 18480 3973 1 6 . 1 1 41 41 MET N N 41 118.772 118.772 116.518 2.254 18480 3974 1 6 . 1 1 41 41 MET HA H 41 3.638 3.638 4.340 -0.702 18480 3975 1 6 . 1 1 41 41 MET C C 41 177.693 177.693 177.667 0.026 18480 3976 1 6 . 1 1 41 41 MET CA C 41 60.513 60.513 58.769 1.744 18480 3977 1 6 . 1 1 41 41 MET CB C 41 34.320 34.320 32.465 1.855 18480 3978 1 6 . 1 1 41 41 MET H H 41 8.423 8.423 7.598 0.825 18480 3979 1 6 . 1 1 42 42 SER N N 42 115.040 115.040 116.508 -1.468 18480 3980 1 6 . 1 1 42 42 SER HA H 42 4.168 4.168 4.309 -0.141 18480 3981 1 6 . 1 1 42 42 SER C C 42 177.483 177.483 176.394 1.089 18480 3982 1 6 . 1 1 42 42 SER CA C 42 61.923 61.923 61.897 0.026 18480 3983 1 6 . 1 1 42 42 SER CB C 42 63.084 63.084 63.038 0.046 18480 3984 1 6 . 1 1 42 42 SER H H 42 8.901 8.901 8.119 0.782 18480 3985 1 6 . 1 1 43 43 THR N N 43 118.747 118.747 117.338 1.409 18480 3986 1 6 . 1 1 43 43 THR HA H 43 3.914 3.914 4.050 -0.136 18480 3987 1 6 . 1 1 43 43 THR C C 43 177.258 177.258 176.735 0.523 18480 3988 1 6 . 1 1 43 43 THR CA C 43 67.017 67.017 66.662 0.355 18480 3989 1 6 . 1 1 43 43 THR CB C 43 69.500 69.500 68.266 1.234 18480 3990 1 6 . 1 1 43 43 THR H H 43 8.479 8.479 7.598 0.881 18480 3991 1 6 . 1 1 44 44 ILE N N 44 121.898 121.898 120.736 1.162 18480 3992 1 6 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.826 -0.123 18480 3993 1 6 . 1 1 44 44 ILE C C 44 178.564 178.564 177.382 1.182 18480 3994 1 6 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.750 -0.686 18480 3995 1 6 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.269 -1.060 18480 3996 1 6 . 1 1 44 44 ILE H H 44 7.807 7.807 7.775 0.032 18480 3997 1 6 . 1 1 45 45 ALA N N 45 124.002 124.002 123.019 0.983 18480 3998 1 6 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.296 -0.254 18480 3999 1 6 . 1 1 45 45 ALA C C 45 179.404 179.404 179.328 0.076 18480 4000 1 6 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.586 0.955 18480 4001 1 6 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.667 -0.209 18480 4002 1 6 . 1 1 45 45 ALA H H 45 9.145 9.145 7.841 1.304 18480 4003 1 6 . 1 1 46 46 GLN N N 46 115.753 115.753 115.495 0.258 18480 4004 1 6 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.141 -0.118 18480 4005 1 6 . 1 1 46 46 GLN C C 46 179.014 179.014 178.398 0.616 18480 4006 1 6 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.312 0.640 18480 4007 1 6 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.057 0.343 18480 4008 1 6 . 1 1 46 46 GLN H H 46 8.459 8.459 8.562 -0.103 18480 4009 1 6 . 1 1 47 47 SER N N 47 116.041 116.041 116.807 -0.766 18480 4010 1 6 . 1 1 47 47 SER HA H 47 4.258 4.258 4.304 -0.046 18480 4011 1 6 . 1 1 47 47 SER C C 47 177.483 177.483 176.206 1.277 18480 4012 1 6 . 1 1 47 47 SER CA C 47 62.328 62.328 61.235 1.093 18480 4013 1 6 . 1 1 47 47 SER CB C 47 63.154 63.154 63.047 0.107 18480 4014 1 6 . 1 1 47 47 SER H H 47 7.961 7.961 7.357 0.604 18480 4015 1 6 . 1 1 48 48 MET N N 48 122.349 122.349 121.350 0.999 18480 4016 1 6 . 1 1 48 48 MET HA H 48 4.376 4.376 4.258 0.118 18480 4017 1 6 . 1 1 48 48 MET C C 48 177.798 177.798 178.499 -0.701 18480 4018 1 6 . 1 1 48 48 MET CA C 48 58.198 58.198 58.043 0.155 18480 4019 1 6 . 1 1 48 48 MET CB C 48 32.102 32.102 32.129 -0.027 18480 4020 1 6 . 1 1 48 48 MET H H 48 8.508 8.508 8.254 0.254 18480 4021 1 6 . 1 1 49 49 VAL N N 49 122.061 122.061 115.313 6.748 18480 4022 1 6 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.591 -0.149 18480 4023 1 6 . 1 1 49 49 VAL C C 49 177.910 177.910 177.643 0.267 18480 4024 1 6 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.428 1.495 18480 4025 1 6 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.114 0.645 18480 4026 1 6 . 1 1 49 49 VAL H H 49 8.541 8.541 7.910 0.631 18480 4027 1 6 . 1 1 50 50 GLN N N 50 118.465 118.465 119.154 -0.689 18480 4028 1 6 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.182 -0.125 18480 4029 1 6 . 1 1 50 50 GLN C C 50 179.449 179.449 178.528 0.921 18480 4030 1 6 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.035 -0.010 18480 4031 1 6 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.429 -0.422 18480 4032 1 6 . 1 1 50 50 GLN H H 50 8.165 8.165 7.652 0.513 18480 4033 1 6 . 1 1 51 51 SER N N 51 117.659 117.659 116.659 1.000 18480 4034 1 6 . 1 1 51 51 SER HA H 51 3.854 3.854 4.165 -0.311 18480 4035 1 6 . 1 1 51 51 SER C C 51 176.374 176.374 176.759 -0.385 18480 4036 1 6 . 1 1 51 51 SER CA C 51 62.642 62.642 61.964 0.678 18480 4037 1 6 . 1 1 51 51 SER CB C 51 63.039 63.039 63.015 0.024 18480 4038 1 6 . 1 1 51 51 SER H H 51 8.199 8.199 8.058 0.141 18480 4039 1 6 . 1 1 52 52 ILE N N 52 122.930 122.930 121.966 0.964 18480 4040 1 6 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.635 -0.255 18480 4041 1 6 . 1 1 52 52 ILE C C 52 178.684 178.684 177.704 0.980 18480 4042 1 6 . 1 1 52 52 ILE CA C 52 66.315 66.315 64.993 1.322 18480 4043 1 6 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.910 -0.362 18480 4044 1 6 . 1 1 52 52 ILE H H 52 8.068 8.068 7.742 0.326 18480 4045 1 6 . 1 1 53 53 GLN N N 53 118.774 118.774 118.802 -0.028 18480 4046 1 6 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.966 -0.053 18480 4047 1 6 . 1 1 53 53 GLN C C 53 179.014 179.014 178.453 0.561 18480 4048 1 6 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.202 -0.034 18480 4049 1 6 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.236 -0.219 18480 4050 1 6 . 1 1 53 53 GLN H H 53 8.459 8.459 8.286 0.173 18480 4051 1 6 . 1 1 54 54 SER N N 54 115.452 115.452 117.576 -2.124 18480 4052 1 6 . 1 1 54 54 SER HA H 54 4.294 4.294 4.217 0.077 18480 4053 1 6 . 1 1 54 54 SER C C 54 176.822 176.822 176.671 0.151 18480 4054 1 6 . 1 1 54 54 SER CA C 54 61.276 61.276 62.210 -0.934 18480 4055 1 6 . 1 1 54 54 SER CB C 54 62.873 62.873 62.935 -0.062 18480 4056 1 6 . 1 1 54 54 SER H H 54 8.330 8.330 8.120 0.210 18480 4057 1 6 . 1 1 55 55 LEU N N 55 121.066 121.066 121.467 -0.401 18480 4058 1 6 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.021 -0.040 18480 4059 1 6 . 1 1 55 55 LEU C C 55 179.434 179.434 178.356 1.078 18480 4060 1 6 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.761 0.215 18480 4061 1 6 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.513 1.093 18480 4062 1 6 . 1 1 55 55 LEU H H 55 8.211 8.211 7.760 0.451 18480 4063 1 6 . 1 1 56 56 ALA N N 56 122.497 122.497 122.355 0.142 18480 4064 1 6 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.167 -0.018 18480 4065 1 6 . 1 1 56 56 ALA C C 56 180.530 180.530 179.478 1.052 18480 4066 1 6 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.577 0.492 18480 4067 1 6 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.428 -0.466 18480 4068 1 6 . 1 1 56 56 ALA H H 56 8.902 8.902 7.963 0.939 18480 4069 1 6 . 1 1 57 57 ALA N N 57 122.922 122.922 119.252 3.670 18480 4070 1 6 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.118 0.039 18480 4071 1 6 . 1 1 57 57 ALA C C 57 179.344 179.344 179.434 -0.090 18480 4072 1 6 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.149 0.849 18480 4073 1 6 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.493 -0.464 18480 4074 1 6 . 1 1 57 57 ALA H H 57 8.140 8.140 7.818 0.322 18480 4075 1 6 . 1 1 58 58 GLN N N 58 113.359 113.359 116.645 -3.286 18480 4076 1 6 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.360 0.002 18480 4077 1 6 . 1 1 58 58 GLN C C 58 176.612 176.612 176.187 0.425 18480 4078 1 6 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.447 0.151 18480 4079 1 6 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.422 1.653 18480 4080 1 6 . 1 1 58 58 GLN H H 58 7.415 7.415 7.851 -0.436 18480 4081 1 6 . 1 1 59 59 GLY N N 59 109.012 109.012 108.614 0.398 18480 4082 1 6 . 1 1 59 59 GLY C C 59 174.856 174.856 174.615 0.241 18480 4083 1 6 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.352 1.409 18480 4084 1 6 . 1 1 59 59 GLY H H 59 7.979 7.979 7.690 0.289 18480 4085 1 6 . 1 1 60 60 ARG N N 60 115.906 115.906 117.837 -1.931 18480 4086 1 6 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.606 -0.004 18480 4087 1 6 . 1 1 60 60 ARG C C 60 175.847 175.847 175.643 0.204 18480 4088 1 6 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.830 0.978 18480 4089 1 6 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.694 1.712 18480 4090 1 6 . 1 1 60 60 ARG H H 60 8.126 8.126 8.265 -0.139 18480 4091 1 6 . 1 1 61 61 THR N N 61 107.985 107.985 114.077 -6.092 18480 4092 1 6 . 1 1 61 61 THR HA H 61 4.125 4.125 4.431 -0.306 18480 4093 1 6 . 1 1 61 61 THR C C 61 173.654 173.654 173.906 -0.252 18480 4094 1 6 . 1 1 61 61 THR CA C 61 62.194 62.194 62.250 -0.056 18480 4095 1 6 . 1 1 61 61 THR CB C 61 69.512 69.512 69.630 -0.118 18480 4096 1 6 . 1 1 61 61 THR H H 61 7.663 7.663 7.900 -0.237 18480 4097 1 6 . 1 1 62 62 SER N N 62 113.733 113.733 118.145 -4.412 18480 4098 1 6 . 1 1 62 62 SER HA H 62 4.973 4.973 4.909 0.064 18480 4099 1 6 . 1 1 62 62 SER C C 62 173.207 173.207 173.230 -0.023 18480 4100 1 6 . 1 1 62 62 SER CA C 62 56.343 56.343 55.184 1.159 18480 4101 1 6 . 1 1 62 62 SER CB C 62 63.992 63.992 64.802 -0.810 18480 4102 1 6 . 1 1 62 62 SER H H 62 7.057 7.057 8.074 -1.017 18480 4103 1 6 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.422 0.280 18480 4104 1 6 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.684 0.616 18480 4105 1 6 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.219 0.017 18480 4106 1 6 . 1 1 64 64 ASN N N 64 114.886 114.886 117.611 -2.725 18480 4107 1 6 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.355 0.047 18480 4108 1 6 . 1 1 64 64 ASN CA C 64 56.251 56.251 57.330 -1.079 18480 4109 1 6 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.585 0.452 18480 4110 1 6 . 1 1 64 64 ASN H H 64 8.642 8.642 8.637 0.005 18480 4111 1 6 . 1 1 65 65 LYS N N 65 119.774 119.774 120.037 -0.263 18480 4112 1 6 . 1 1 65 65 LYS HA H 65 3.806 3.806 3.981 -0.175 18480 4113 1 6 . 1 1 65 65 LYS C C 65 178.999 178.999 178.922 0.077 18480 4114 1 6 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.152 1.726 18480 4115 1 6 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.169 1.068 18480 4116 1 6 . 1 1 65 65 LYS H H 65 7.882 7.882 8.162 -0.280 18480 4117 1 6 . 1 1 66 66 LEU N N 66 117.686 117.686 118.810 -1.124 18480 4118 1 6 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.003 0.019 18480 4119 1 6 . 1 1 66 66 LEU C C 66 178.928 178.928 179.594 -0.666 18480 4120 1 6 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.590 0.327 18480 4121 1 6 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.707 -0.174 18480 4122 1 6 . 1 1 66 66 LEU H H 66 8.666 8.666 8.269 0.397 18480 4123 1 6 . 1 1 67 67 GLN N N 67 124.469 124.469 119.503 4.966 18480 4124 1 6 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.684 -0.392 18480 4125 1 6 . 1 1 67 67 GLN C C 67 178.789 178.789 178.265 0.524 18480 4126 1 6 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.474 1.417 18480 4127 1 6 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.561 -0.402 18480 4128 1 6 . 1 1 67 67 GLN H H 67 8.997 8.997 8.259 0.738 18480 4129 1 6 . 1 1 68 68 ALA N N 68 121.986 121.986 120.980 1.006 18480 4130 1 6 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.195 -0.385 18480 4131 1 6 . 1 1 68 68 ALA C C 68 180.320 180.320 178.079 2.241 18480 4132 1 6 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.016 1.487 18480 4133 1 6 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.485 -0.273 18480 4134 1 6 . 1 1 68 68 ALA H H 68 7.427 7.427 8.326 -0.899 18480 4135 1 6 . 1 1 69 69 LEU N N 69 118.881 118.881 115.602 3.279 18480 4136 1 6 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.488 -0.436 18480 4137 1 6 . 1 1 69 69 LEU C C 69 178.864 178.864 176.400 2.464 18480 4138 1 6 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.561 3.186 18480 4139 1 6 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.952 -0.058 18480 4140 1 6 . 1 1 69 69 LEU H H 69 8.143 8.143 7.142 1.001 18480 4141 1 6 . 1 1 70 70 ASN N N 70 119.848 119.848 117.676 2.172 18480 4142 1 6 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.716 -0.325 18480 4143 1 6 . 1 1 70 70 ASN C C 70 177.483 177.483 176.702 0.781 18480 4144 1 6 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.253 2.531 18480 4145 1 6 . 1 1 70 70 ASN CB C 70 39.472 39.472 40.045 -0.573 18480 4146 1 6 . 1 1 70 70 ASN H H 70 8.456 8.456 7.819 0.637 18480 4147 1 6 . 1 1 71 71 MET N N 71 118.843 118.843 118.410 0.433 18480 4148 1 6 . 1 1 71 71 MET HA H 71 4.769 4.769 4.345 0.424 18480 4149 1 6 . 1 1 71 71 MET C C 71 178.279 178.279 177.600 0.679 18480 4150 1 6 . 1 1 71 71 MET CA C 71 56.415 56.415 56.483 -0.068 18480 4151 1 6 . 1 1 71 71 MET CB C 71 29.788 29.788 31.535 -1.747 18480 4152 1 6 . 1 1 71 71 MET H H 71 7.757 7.757 7.722 0.035 18480 4153 1 6 . 1 1 72 72 ALA N N 72 126.265 126.265 122.647 3.618 18480 4154 1 6 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.067 0.175 18480 4155 1 6 . 1 1 72 72 ALA C C 72 179.059 179.059 179.675 -0.616 18480 4156 1 6 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.184 -0.058 18480 4157 1 6 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.044 0.879 18480 4158 1 6 . 1 1 72 72 ALA H H 72 8.559 8.559 7.789 0.770 18480 4159 1 6 . 1 1 73 73 PHE N N 73 118.887 118.887 119.295 -0.408 18480 4160 1 6 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.120 -0.057 18480 4161 1 6 . 1 1 73 73 PHE C C 73 177.258 177.258 176.538 0.720 18480 4162 1 6 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.838 0.234 18480 4163 1 6 . 1 1 73 73 PHE CB C 73 39.305 39.305 38.627 0.678 18480 4164 1 6 . 1 1 73 73 PHE H H 73 8.337 8.337 7.945 0.392 18480 4165 1 6 . 1 1 74 74 ALA N N 74 122.360 122.360 120.973 1.387 18480 4166 1 6 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.735 -0.504 18480 4167 1 6 . 1 1 74 74 ALA C C 74 179.374 179.374 179.017 0.357 18480 4168 1 6 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.721 1.095 18480 4169 1 6 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.600 0.281 18480 4170 1 6 . 1 1 74 74 ALA H H 74 8.540 8.540 7.854 0.686 18480 4171 1 6 . 1 1 75 75 SER N N 75 112.265 112.265 113.301 -1.036 18480 4172 1 6 . 1 1 75 75 SER HA H 75 3.858 3.858 4.329 -0.471 18480 4173 1 6 . 1 1 75 75 SER CA C 75 62.251 62.251 61.472 0.778 18480 4174 1 6 . 1 1 75 75 SER CB C 75 62.874 62.874 63.412 -0.538 18480 4175 1 6 . 1 1 75 75 SER H H 75 8.859 8.859 8.300 0.559 18480 4176 1 6 . 1 1 76 76 SER N N 76 118.859 118.859 120.221 -1.362 18480 4177 1 6 . 1 1 76 76 SER HA H 76 3.964 3.964 4.353 -0.389 18480 4178 1 6 . 1 1 76 76 SER CA C 76 63.066 63.066 61.609 1.456 18480 4179 1 6 . 1 1 76 76 SER CB C 76 63.377 63.377 62.963 0.414 18480 4180 1 6 . 1 1 76 76 SER H H 76 8.065 8.065 8.074 -0.009 18480 4181 1 6 . 1 1 77 77 MET N N 77 120.030 120.030 116.567 3.463 18480 4182 1 6 . 1 1 77 77 MET HA H 77 4.234 4.234 4.255 -0.021 18480 4183 1 6 . 1 1 77 77 MET C C 77 178.354 178.354 177.532 0.822 18480 4184 1 6 . 1 1 77 77 MET CA C 77 57.167 57.167 55.163 2.004 18480 4185 1 6 . 1 1 77 77 MET CB C 77 32.728 32.728 30.697 2.031 18480 4186 1 6 . 1 1 77 77 MET H H 77 7.397 7.397 7.911 -0.514 18480 4187 1 6 . 1 1 78 78 ALA N N 78 119.880 119.880 121.622 -1.742 18480 4188 1 6 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.411 -0.508 18480 4189 1 6 . 1 1 78 78 ALA C C 78 178.354 178.354 179.248 -0.894 18480 4190 1 6 . 1 1 78 78 ALA CA C 78 55.140 55.140 54.914 0.225 18480 4191 1 6 . 1 1 78 78 ALA CB C 78 19.101 19.101 19.508 -0.407 18480 4192 1 6 . 1 1 78 78 ALA H H 78 7.908 7.908 7.476 0.432 18480 4193 1 6 . 1 1 79 79 GLU N N 79 117.907 117.907 119.442 -1.535 18480 4194 1 6 . 1 1 79 79 GLU HA H 79 3.939 3.939 4.106 -0.167 18480 4195 1 6 . 1 1 79 79 GLU C C 79 178.894 178.894 178.782 0.112 18480 4196 1 6 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.857 0.843 18480 4197 1 6 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.397 1.250 18480 4198 1 6 . 1 1 79 79 GLU H H 79 8.576 8.576 8.023 0.553 18480 4199 1 6 . 1 1 80 80 ILE N N 80 121.918 121.918 119.906 2.012 18480 4200 1 6 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.791 -0.189 18480 4201 1 6 . 1 1 80 80 ILE C C 80 179.014 179.014 177.958 1.056 18480 4202 1 6 . 1 1 80 80 ILE CA C 80 65.131 65.131 65.106 0.025 18480 4203 1 6 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.468 0.157 18480 4204 1 6 . 1 1 80 80 ILE H H 80 8.065 8.065 7.972 0.093 18480 4205 1 6 . 1 1 81 81 ALA N N 81 120.266 120.266 123.139 -2.873 18480 4206 1 6 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.527 -0.379 18480 4207 1 6 . 1 1 81 81 ALA C C 81 177.258 177.258 179.281 -2.023 18480 4208 1 6 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.805 0.335 18480 4209 1 6 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.782 0.373 18480 4210 1 6 . 1 1 81 81 ALA H H 81 8.169 8.169 7.791 0.378 18480 4211 1 6 . 1 1 82 82 ALA N N 82 114.813 114.813 119.338 -4.525 18480 4212 1 6 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.089 -0.038 18480 4213 1 6 . 1 1 82 82 ALA C C 82 177.693 177.693 179.533 -1.840 18480 4214 1 6 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.871 -1.105 18480 4215 1 6 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.638 2.361 18480 4216 1 6 . 1 1 82 82 ALA H H 82 8.019 8.019 8.603 -0.584 18480 4217 1 6 . 1 1 83 83 SER N N 83 110.140 110.140 111.912 -1.772 18480 4218 1 6 . 1 1 83 83 SER HA H 83 4.415 4.415 4.454 -0.039 18480 4219 1 6 . 1 1 83 83 SER C C 83 174.856 174.856 174.535 0.321 18480 4220 1 6 . 1 1 83 83 SER CA C 83 59.772 59.772 60.437 -0.665 18480 4221 1 6 . 1 1 83 83 SER CB C 83 64.952 64.952 64.526 0.426 18480 4222 1 6 . 1 1 83 83 SER H H 83 7.823 7.823 7.570 0.253 18480 4223 1 6 . 1 1 84 84 GLU N N 84 120.696 120.696 121.103 -0.407 18480 4224 1 6 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.588 -0.087 18480 4225 1 6 . 1 1 84 84 GLU C C 84 176.597 176.597 174.545 2.052 18480 4226 1 6 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.144 1.452 18480 4227 1 6 . 1 1 84 84 GLU CB C 84 28.537 28.537 31.860 -3.323 18480 4228 1 6 . 1 1 84 84 GLU H H 84 7.666 7.666 8.209 -0.543 18480 4229 1 6 . 1 1 85 85 GLU N N 85 124.951 124.951 121.536 3.415 18480 4230 1 6 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.434 -0.172 18480 4231 1 6 . 1 1 85 85 GLU C C 85 177.258 177.258 175.401 1.857 18480 4232 1 6 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.757 2.088 18480 4233 1 6 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.592 -1.788 18480 4234 1 6 . 1 1 85 85 GLU H H 85 8.735 8.735 8.637 0.098 18480 4235 1 6 . 1 1 86 86 GLY N N 86 110.356 110.356 107.765 2.591 18480 4236 1 6 . 1 1 86 86 GLY C C 86 174.856 174.856 173.967 0.889 18480 4237 1 6 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.799 -0.409 18480 4238 1 6 . 1 1 86 86 GLY H H 86 8.609 8.609 8.798 -0.189 18480 4239 1 6 . 1 1 87 87 GLY N N 87 107.569 107.569 108.239 -0.670 18480 4240 1 6 . 1 1 87 87 GLY C C 87 174.436 174.436 174.487 -0.051 18480 4241 1 6 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.943 -0.683 18480 4242 1 6 . 1 1 87 87 GLY H H 87 7.931 7.931 7.865 0.066 18480 4243 1 6 . 1 1 88 88 GLY N N 88 109.889 109.889 109.995 -0.106 18480 4244 1 6 . 1 1 88 88 GLY C C 88 173.325 173.325 174.151 -0.826 18480 4245 1 6 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.519 0.647 18480 4246 1 6 . 1 1 88 88 GLY H H 88 8.650 8.650 8.012 0.638 18480 4247 1 6 . 1 1 89 89 SER N N 89 114.731 114.731 117.338 -2.607 18480 4248 1 6 . 1 1 89 89 SER HA H 89 4.411 4.411 4.317 0.094 18480 4249 1 6 . 1 1 89 89 SER C C 89 175.066 175.066 175.917 -0.851 18480 4250 1 6 . 1 1 89 89 SER CA C 89 57.363 57.363 57.625 -0.262 18480 4251 1 6 . 1 1 89 89 SER CB C 89 62.483 62.483 64.238 -1.755 18480 4252 1 6 . 1 1 89 89 SER H H 89 8.640 8.640 8.213 0.427 18480 4253 1 6 . 1 1 90 90 LEU N N 90 123.210 123.210 124.378 -1.168 18480 4254 1 6 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.018 -0.043 18480 4255 1 6 . 1 1 90 90 LEU C C 90 179.434 179.434 178.621 0.813 18480 4256 1 6 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.498 -0.155 18480 4257 1 6 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.868 -0.504 18480 4258 1 6 . 1 1 90 90 LEU H H 90 8.976 8.976 8.746 0.230 18480 4259 1 6 . 1 1 91 91 SER N N 91 115.789 115.789 112.880 2.909 18480 4260 1 6 . 1 1 91 91 SER HA H 91 4.149 4.149 4.186 -0.037 18480 4261 1 6 . 1 1 91 91 SER C C 91 177.325 177.325 176.140 1.185 18480 4262 1 6 . 1 1 91 91 SER CA C 91 61.794 61.794 61.825 -0.031 18480 4263 1 6 . 1 1 91 91 SER CB C 91 62.276 62.276 62.201 0.075 18480 4264 1 6 . 1 1 91 91 SER H H 91 8.612 8.612 8.307 0.305 18480 4265 1 6 . 1 1 92 92 THR N N 92 122.677 122.677 119.629 3.048 18480 4266 1 6 . 1 1 92 92 THR HA H 92 3.919 3.919 4.007 -0.088 18480 4267 1 6 . 1 1 92 92 THR C C 92 176.162 176.162 176.620 -0.458 18480 4268 1 6 . 1 1 92 92 THR CA C 92 66.719 66.719 67.147 -0.428 18480 4269 1 6 . 1 1 92 92 THR CB C 92 68.236 68.236 68.363 -0.127 18480 4270 1 6 . 1 1 92 92 THR H H 92 7.871 7.871 7.458 0.413 18480 4271 1 6 . 1 1 93 93 LYS N N 93 119.820 119.820 121.406 -1.586 18480 4272 1 6 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.340 -0.771 18480 4273 1 6 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.643 1.009 18480 4274 1 6 . 1 1 93 93 LYS CB C 93 33.728 33.728 32.091 1.637 18480 4275 1 6 . 1 1 93 93 LYS H H 93 8.263 8.263 7.849 0.414 18480 4276 1 6 . 1 1 94 94 THR N N 94 113.759 113.759 117.463 -3.704 18480 4277 1 6 . 1 1 94 94 THR HA H 94 3.692 3.692 4.111 -0.419 18480 4278 1 6 . 1 1 94 94 THR C C 94 177.033 177.033 176.778 0.255 18480 4279 1 6 . 1 1 94 94 THR CA C 94 68.122 68.122 67.279 0.843 18480 4280 1 6 . 1 1 94 94 THR CB C 94 68.342 68.342 68.366 -0.024 18480 4281 1 6 . 1 1 94 94 THR H H 94 8.448 8.448 8.617 -0.169 18480 4282 1 6 . 1 1 95 95 SER N N 95 117.547 117.547 117.992 -0.445 18480 4283 1 6 . 1 1 95 95 SER HA H 95 4.262 4.262 4.234 0.028 18480 4284 1 6 . 1 1 95 95 SER C C 95 177.828 177.828 176.727 1.101 18480 4285 1 6 . 1 1 95 95 SER CA C 95 61.758 61.758 62.202 -0.444 18480 4286 1 6 . 1 1 95 95 SER CB C 95 62.667 62.667 62.851 -0.184 18480 4287 1 6 . 1 1 95 95 SER H H 95 8.173 8.173 8.183 -0.010 18480 4288 1 6 . 1 1 96 96 SER N N 96 121.366 121.366 119.299 2.067 18480 4289 1 6 . 1 1 96 96 SER HA H 96 4.035 4.035 4.233 -0.198 18480 4290 1 6 . 1 1 96 96 SER CA C 96 62.467 62.467 62.654 -0.187 18480 4291 1 6 . 1 1 96 96 SER CB C 96 61.755 61.755 63.032 -1.277 18480 4292 1 6 . 1 1 96 96 SER H H 96 8.830 8.830 7.617 1.213 18480 4293 1 6 . 1 1 97 97 ILE N N 97 121.943 121.943 122.798 -0.855 18480 4294 1 6 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.783 0.026 18480 4295 1 6 . 1 1 97 97 ILE C C 97 177.693 177.693 177.899 -0.206 18480 4296 1 6 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.875 0.167 18480 4297 1 6 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.919 -0.383 18480 4298 1 6 . 1 1 97 97 ILE H H 97 8.380 8.380 8.447 -0.067 18480 4299 1 6 . 1 1 98 98 ALA N N 98 122.507 122.507 122.136 0.371 18480 4300 1 6 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.090 -0.050 18480 4301 1 6 . 1 1 98 98 ALA C C 98 180.740 180.740 179.907 0.833 18480 4302 1 6 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.707 0.681 18480 4303 1 6 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.095 0.059 18480 4304 1 6 . 1 1 98 98 ALA H H 98 8.624 8.624 8.384 0.240 18480 4305 1 6 . 1 1 99 99 SER N N 99 115.850 115.850 116.031 -0.181 18480 4306 1 6 . 1 1 99 99 SER HA H 99 4.325 4.325 4.219 0.106 18480 4307 1 6 . 1 1 99 99 SER C C 99 177.168 177.168 177.056 0.112 18480 4308 1 6 . 1 1 99 99 SER CA C 99 61.867 61.867 62.130 -0.263 18480 4309 1 6 . 1 1 99 99 SER CB C 99 63.200 63.200 62.911 0.289 18480 4310 1 6 . 1 1 99 99 SER H H 99 8.667 8.667 8.357 0.310 18480 4311 1 6 . 1 1 100 100 ALA N N 100 124.410 124.410 125.507 -1.097 18480 4312 1 6 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.879 -0.737 18480 4313 1 6 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.445 0.943 18480 4314 1 6 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.475 0.152 18480 4315 1 6 . 1 1 100 100 ALA H H 100 8.744 8.744 8.175 0.569 18480 4316 1 6 . 1 1 101 101 MET N N 101 119.346 119.346 118.331 1.015 18480 4317 1 6 . 1 1 101 101 MET HA H 101 4.368 4.368 4.275 0.093 18480 4318 1 6 . 1 1 101 101 MET CA C 101 59.163 59.163 57.629 1.534 18480 4319 1 6 . 1 1 101 101 MET CB C 101 33.233 33.233 32.247 0.986 18480 4320 1 6 . 1 1 101 101 MET H H 101 9.152 9.152 8.639 0.513 18480 4321 1 6 . 1 1 102 102 SER N N 102 117.124 117.124 115.235 1.889 18480 4322 1 6 . 1 1 102 102 SER HA H 102 4.382 4.382 4.488 -0.106 18480 4323 1 6 . 1 1 102 102 SER CA C 102 63.424 63.424 61.679 1.745 18480 4324 1 6 . 1 1 102 102 SER CB C 102 62.639 62.639 62.664 -0.026 18480 4325 1 6 . 1 1 102 102 SER H H 102 8.766 8.766 8.329 0.437 18480 4326 1 6 . 1 1 103 103 ASN N N 103 118.601 118.601 119.501 -0.900 18480 4327 1 6 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.574 -0.108 18480 4328 1 6 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.673 0.966 18480 4329 1 6 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.216 0.091 18480 4330 1 6 . 1 1 103 103 ASN H H 103 8.298 8.298 8.071 0.227 18480 4331 1 6 . 1 1 104 104 ALA N N 104 122.821 122.821 121.735 1.086 18480 4332 1 6 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.012 0.227 18480 4333 1 6 . 1 1 104 104 ALA C C 104 181.701 181.701 178.924 2.777 18480 4334 1 6 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.200 1.072 18480 4335 1 6 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.798 0.376 18480 4336 1 6 . 1 1 104 104 ALA H H 104 7.969 7.969 7.478 0.491 18480 4337 1 6 . 1 1 105 105 PHE N N 105 119.585 119.585 118.231 1.354 18480 4338 1 6 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.502 -0.294 18480 4339 1 6 . 1 1 105 105 PHE C C 105 179.224 179.224 178.044 1.180 18480 4340 1 6 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.547 2.575 18480 4341 1 6 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.119 0.448 18480 4342 1 6 . 1 1 105 105 PHE H H 105 8.647 8.647 7.745 0.902 18480 4343 1 6 . 1 1 106 106 LEU N N 106 121.925 121.925 117.900 4.025 18480 4344 1 6 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.119 -0.420 18480 4345 1 6 . 1 1 106 106 LEU C C 106 179.074 179.074 179.281 -0.207 18480 4346 1 6 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.740 1.315 18480 4347 1 6 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.077 0.385 18480 4348 1 6 . 1 1 106 106 LEU H H 106 8.450 8.450 7.651 0.799 18480 4349 1 6 . 1 1 107 107 GLN N N 107 115.214 115.214 118.092 -2.878 18480 4350 1 6 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.231 -0.129 18480 4351 1 6 . 1 1 107 107 GLN C C 107 176.822 176.822 177.383 -0.561 18480 4352 1 6 . 1 1 107 107 GLN CA C 107 57.586 57.586 58.307 -0.721 18480 4353 1 6 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.403 0.876 18480 4354 1 6 . 1 1 107 107 GLN H H 107 8.444 8.444 7.890 0.554 18480 4355 1 6 . 1 1 108 108 THR N N 108 109.014 109.014 112.860 -3.846 18480 4356 1 6 . 1 1 108 108 THR HA H 108 4.369 4.369 4.327 0.042 18480 4357 1 6 . 1 1 108 108 THR C C 108 175.952 175.952 176.222 -0.270 18480 4358 1 6 . 1 1 108 108 THR CA C 108 63.658 63.658 64.134 -0.476 18480 4359 1 6 . 1 1 108 108 THR CB C 108 70.179 70.179 68.806 1.373 18480 4360 1 6 . 1 1 108 108 THR H H 108 7.631 7.631 7.658 -0.027 18480 4361 1 6 . 1 1 109 109 THR N N 109 110.844 110.844 115.229 -4.385 18480 4362 1 6 . 1 1 109 109 THR HA H 109 4.477 4.477 4.290 0.187 18480 4363 1 6 . 1 1 109 109 THR C C 109 176.162 176.162 175.966 0.196 18480 4364 1 6 . 1 1 109 109 THR CA C 109 61.728 61.728 62.660 -0.932 18480 4365 1 6 . 1 1 109 109 THR CB C 109 70.659 70.659 69.628 1.031 18480 4366 1 6 . 1 1 109 109 THR H H 109 8.623 8.623 7.834 0.789 18480 4367 1 6 . 1 1 110 110 GLY N N 110 109.549 109.549 108.892 0.657 18480 4368 1 6 . 1 1 110 110 GLY C C 110 172.889 172.889 173.329 -0.440 18480 4369 1 6 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.892 0.651 18480 4370 1 6 . 1 1 110 110 GLY H H 110 8.113 8.113 8.203 -0.090 18480 4371 1 6 . 1 1 111 111 VAL N N 111 118.903 118.903 118.747 0.156 18480 4372 1 6 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.398 -0.142 18480 4373 1 6 . 1 1 111 111 VAL C C 111 174.421 174.421 173.887 0.534 18480 4374 1 6 . 1 1 111 111 VAL CA C 111 60.761 60.761 59.921 0.840 18480 4375 1 6 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.536 0.973 18480 4376 1 6 . 1 1 111 111 VAL H H 111 7.724 7.724 7.508 0.216 18480 4377 1 6 . 1 1 112 112 VAL N N 112 124.398 124.398 124.650 -0.252 18480 4378 1 6 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.041 -0.808 18480 4379 1 6 . 1 1 112 112 VAL C C 112 174.646 174.646 173.892 0.754 18480 4380 1 6 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.258 3.477 18480 4381 1 6 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.517 -0.712 18480 4382 1 6 . 1 1 112 112 VAL H H 112 8.627 8.627 8.278 0.349 18480 4383 1 6 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.496 0.073 18480 4384 1 6 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.948 -1.741 18480 4385 1 6 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.099 -0.718 18480 4386 1 6 . 1 1 114 114 GLN N N 114 125.364 125.364 126.808 -1.444 18480 4387 1 6 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.091 -0.151 18480 4388 1 6 . 1 1 114 114 GLN C C 114 174.811 174.811 175.775 -0.964 18480 4389 1 6 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.730 -1.094 18480 4390 1 6 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.644 -1.552 18480 4391 1 6 . 1 1 114 114 GLN H H 114 8.731 8.731 8.764 -0.033 18480 4392 1 6 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.277 -0.009 18480 4393 1 6 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.156 1.505 18480 4394 1 6 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.246 -0.049 18480 4395 1 6 . 1 1 116 116 PHE N N 116 118.102 118.102 118.714 -0.612 18480 4396 1 6 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.230 0.031 18480 4397 1 6 . 1 1 116 116 PHE C C 116 176.597 176.597 177.231 -0.634 18480 4398 1 6 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.860 -0.570 18480 4399 1 6 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.179 0.401 18480 4400 1 6 . 1 1 116 116 PHE H H 116 7.712 7.712 8.088 -0.376 18480 4401 1 6 . 1 1 117 117 ILE N N 117 118.950 118.950 116.234 2.716 18480 4402 1 6 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.975 -0.321 18480 4403 1 6 . 1 1 117 117 ILE C C 117 178.789 178.789 177.802 0.987 18480 4404 1 6 . 1 1 117 117 ILE CA C 117 64.640 64.640 62.963 1.677 18480 4405 1 6 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.619 -0.105 18480 4406 1 6 . 1 1 117 117 ILE H H 117 7.747 7.747 7.798 -0.051 18480 4407 1 6 . 1 1 118 118 ASN N N 118 119.204 119.204 118.627 0.577 18480 4408 1 6 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.620 -0.253 18480 4409 1 6 . 1 1 118 118 ASN C C 118 177.033 177.033 177.673 -0.640 18480 4410 1 6 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.999 -0.218 18480 4411 1 6 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.957 -1.472 18480 4412 1 6 . 1 1 118 118 ASN H H 118 8.847 8.847 7.943 0.904 18480 4413 1 6 . 1 1 119 119 GLU N N 119 120.684 120.684 120.067 0.617 18480 4414 1 6 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.201 -0.236 18480 4415 1 6 . 1 1 119 119 GLU C C 119 178.564 178.564 178.436 0.128 18480 4416 1 6 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.289 0.825 18480 4417 1 6 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.200 -0.682 18480 4418 1 6 . 1 1 119 119 GLU H H 119 8.081 8.081 7.588 0.493 18480 4419 1 6 . 1 1 120 120 ILE N N 120 118.037 118.037 119.633 -1.596 18480 4420 1 6 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.736 -0.164 18480 4421 1 6 . 1 1 120 120 ILE C C 120 178.279 178.279 177.815 0.464 18480 4422 1 6 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.950 -0.852 18480 4423 1 6 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.678 -1.426 18480 4424 1 6 . 1 1 120 120 ILE H H 120 7.948 7.948 7.506 0.442 18480 4425 1 6 . 1 1 121 121 THR N N 121 113.671 113.671 112.438 1.233 18480 4426 1 6 . 1 1 121 121 THR HA H 121 3.804 3.804 3.893 -0.089 18480 4427 1 6 . 1 1 121 121 THR C C 121 177.258 177.258 176.850 0.408 18480 4428 1 6 . 1 1 121 121 THR CA C 121 66.771 66.771 66.023 0.748 18480 4429 1 6 . 1 1 121 121 THR CB C 121 68.293 68.293 68.364 -0.071 18480 4430 1 6 . 1 1 121 121 THR H H 121 8.345 8.345 7.681 0.664 18480 4431 1 6 . 1 1 122 122 GLN N N 122 121.849 121.849 121.182 0.667 18480 4432 1 6 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.010 -0.011 18480 4433 1 6 . 1 1 122 122 GLN C C 122 179.014 179.014 178.428 0.586 18480 4434 1 6 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.466 0.300 18480 4435 1 6 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.385 0.047 18480 4436 1 6 . 1 1 122 122 GLN H H 122 7.589 7.589 7.902 -0.313 18480 4437 1 6 . 1 1 123 123 LEU N N 123 120.855 120.855 120.550 0.305 18480 4438 1 6 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.639 -0.221 18480 4439 1 6 . 1 1 123 123 LEU C C 123 178.354 178.354 178.688 -0.334 18480 4440 1 6 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.774 0.042 18480 4441 1 6 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.616 -0.765 18480 4442 1 6 . 1 1 123 123 LEU H H 123 8.081 8.081 7.507 0.574 18480 4443 1 6 . 1 1 124 124 VAL N N 124 115.864 115.864 117.919 -2.055 18480 4444 1 6 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.766 -0.416 18480 4445 1 6 . 1 1 124 124 VAL C C 124 177.453 177.453 178.380 -0.927 18480 4446 1 6 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.542 0.931 18480 4447 1 6 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.350 0.256 18480 4448 1 6 . 1 1 124 124 VAL H H 124 7.574 7.574 7.694 -0.120 18480 4449 1 6 . 1 1 125 125 SER N N 125 110.334 110.334 114.905 -4.571 18480 4450 1 6 . 1 1 125 125 SER HA H 125 4.054 4.054 4.085 -0.031 18480 4451 1 6 . 1 1 125 125 SER C C 125 175.937 175.937 176.563 -0.626 18480 4452 1 6 . 1 1 125 125 SER CA C 125 61.763 61.763 61.632 0.131 18480 4453 1 6 . 1 1 125 125 SER CB C 125 62.864 62.864 63.062 -0.198 18480 4454 1 6 . 1 1 125 125 SER H H 125 6.950 6.950 7.720 -0.770 18480 4455 1 6 . 1 1 126 126 MET N N 126 121.750 121.750 119.424 2.326 18480 4456 1 6 . 1 1 126 126 MET HA H 126 3.951 3.951 4.084 -0.133 18480 4457 1 6 . 1 1 126 126 MET C C 126 179.254 179.254 178.262 0.992 18480 4458 1 6 . 1 1 126 126 MET CA C 126 59.246 59.246 58.786 0.460 18480 4459 1 6 . 1 1 126 126 MET CB C 126 33.265 33.265 32.115 1.150 18480 4460 1 6 . 1 1 126 126 MET H H 126 8.113 8.113 8.042 0.071 18480 4461 1 6 . 1 1 127 127 PHE N N 127 118.909 118.909 118.562 0.347 18480 4462 1 6 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.263 0.380 18480 4463 1 6 . 1 1 127 127 PHE C C 127 178.128 178.128 177.775 0.353 18480 4464 1 6 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.298 -3.539 18480 4465 1 6 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.404 -0.343 18480 4466 1 6 . 1 1 127 127 PHE H H 127 8.791 8.791 7.630 1.161 18480 4467 1 6 . 1 1 128 128 ALA N N 128 122.620 122.620 121.524 1.096 18480 4468 1 6 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.178 -0.002 18480 4469 1 6 . 1 1 128 128 ALA C C 128 178.789 178.789 178.887 -0.098 18480 4470 1 6 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.481 0.184 18480 4471 1 6 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.553 0.612 18480 4472 1 6 . 1 1 128 128 ALA H H 128 8.235 8.235 7.456 0.779 18480 4473 1 6 . 1 1 129 129 GLN N N 129 116.507 116.507 117.214 -0.707 18480 4474 1 6 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.151 0.074 18480 4475 1 6 . 1 1 129 129 GLN C C 129 177.258 177.258 178.616 -1.358 18480 4476 1 6 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.794 -0.776 18480 4477 1 6 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.971 0.154 18480 4478 1 6 . 1 1 129 129 GLN H H 129 7.715 7.715 7.578 0.137 18480 4479 1 6 . 1 1 130 130 ALA N N 130 122.020 122.020 121.503 0.517 18480 4480 1 6 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.085 0.135 18480 4481 1 6 . 1 1 130 130 ALA C C 130 178.564 178.564 178.849 -0.285 18480 4482 1 6 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.846 -0.040 18480 4483 1 6 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.851 0.109 18480 4484 1 6 . 1 1 130 130 ALA H H 130 7.775 7.775 8.097 -0.322 18480 4485 1 6 . 1 1 131 131 GLY N N 131 106.006 106.006 105.560 0.446 18480 4486 1 6 . 1 1 131 131 GLY C C 131 173.970 173.970 175.381 -1.411 18480 4487 1 6 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.346 -0.233 18480 4488 1 6 . 1 1 131 131 GLY H H 131 8.110 8.110 8.037 0.073 18480 4489 1 6 . 1 1 132 132 MET N N 132 118.637 118.637 115.917 2.720 18480 4490 1 6 . 1 1 132 132 MET HA H 132 4.401 4.401 4.466 -0.065 18480 4491 1 6 . 1 1 132 132 MET C C 132 175.952 175.952 175.733 0.219 18480 4492 1 6 . 1 1 132 132 MET CA C 132 56.375 56.375 55.638 0.737 18480 4493 1 6 . 1 1 132 132 MET CB C 132 32.939 32.939 30.783 2.156 18480 4494 1 6 . 1 1 132 132 MET H H 132 7.945 7.945 8.220 -0.275 18480 4495 1 6 . 1 1 133 133 ASN N N 133 117.955 117.955 117.457 0.498 18480 4496 1 6 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.592 0.179 18480 4497 1 6 . 1 1 133 133 ASN C C 133 174.646 174.646 176.015 -1.369 18480 4498 1 6 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.868 -0.380 18480 4499 1 6 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.782 1.594 18480 4500 1 6 . 1 1 133 133 ASN H H 133 8.283 8.283 7.802 0.481 18480 4501 1 6 . 1 1 134 134 ASP N N 134 120.891 120.891 121.298 -0.407 18480 4502 1 6 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.456 0.163 18480 4503 1 6 . 1 1 134 134 ASP C C 134 176.162 176.162 176.429 -0.267 18480 4504 1 6 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.278 -0.877 18480 4505 1 6 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.335 -0.162 18480 4506 1 6 . 1 1 134 134 ASP H H 134 8.192 8.192 7.858 0.334 18480 4507 1 6 . 1 1 135 135 VAL N N 135 119.737 119.737 117.652 2.085 18480 4508 1 6 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.687 0.493 18480 4509 1 6 . 1 1 135 135 VAL C C 135 176.162 176.162 175.665 0.497 18480 4510 1 6 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.437 -1.291 18480 4511 1 6 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.418 3.312 18480 4512 1 6 . 1 1 135 135 VAL H H 135 8.056 8.056 7.672 0.384 18480 4513 1 6 . 1 1 136 136 SER N N 136 119.689 119.689 120.952 -1.263 18480 4514 1 6 . 1 1 136 136 SER HA H 136 4.427 4.427 4.384 0.043 18480 4515 1 6 . 1 1 136 136 SER C C 136 173.325 173.325 174.349 -1.024 18480 4516 1 6 . 1 1 136 136 SER CA C 136 58.351 58.351 57.939 0.412 18480 4517 1 6 . 1 1 136 136 SER CB C 136 64.031 64.031 62.477 1.554 18480 4518 1 6 . 1 1 136 136 SER H H 136 8.355 8.355 8.442 -0.087 18480 4519 1 7 . 1 1 3 3 GLY N N 3 110.996 110.996 114.888 -3.892 18480 4520 1 7 . 1 1 3 3 GLY CA C 3 45.476 45.476 45.285 0.191 18480 4521 1 7 . 1 1 3 3 GLY H H 3 8.591 8.591 8.700 -0.109 18480 4522 1 7 . 1 1 4 4 ASN N N 4 118.637 118.637 117.619 1.018 18480 4523 1 7 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.842 -0.114 18480 4524 1 7 . 1 1 4 4 ASN CA C 4 53.170 53.170 51.730 1.440 18480 4525 1 7 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.402 0.662 18480 4526 1 7 . 1 1 4 4 ASN H H 4 8.318 8.318 8.373 -0.055 18480 4527 1 7 . 1 1 5 5 SER N N 5 116.285 116.285 116.703 -0.418 18480 4528 1 7 . 1 1 5 5 SER HA H 5 4.352 4.352 4.442 -0.090 18480 4529 1 7 . 1 1 5 5 SER CA C 5 58.593 58.593 58.970 -0.377 18480 4530 1 7 . 1 1 5 5 SER CB C 5 63.633 63.633 61.774 1.859 18480 4531 1 7 . 1 1 5 5 SER H H 5 8.280 8.280 8.339 -0.059 18480 4532 1 7 . 1 1 6 6 HIS N N 6 119.777 119.777 121.455 -1.678 18480 4533 1 7 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.748 -0.010 18480 4534 1 7 . 1 1 6 6 HIS CA C 6 55.344 55.344 54.888 0.456 18480 4535 1 7 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.407 -2.079 18480 4536 1 7 . 1 1 6 6 HIS H H 6 8.460 8.460 8.018 0.442 18480 4537 1 7 . 1 1 7 7 THR N N 7 115.111 115.111 114.023 1.088 18480 4538 1 7 . 1 1 7 7 THR HA H 7 4.217 4.217 4.393 -0.176 18480 4539 1 7 . 1 1 7 7 THR C C 7 173.970 173.970 174.004 -0.034 18480 4540 1 7 . 1 1 7 7 THR CA C 7 62.118 62.118 61.914 0.204 18480 4541 1 7 . 1 1 7 7 THR CB C 7 69.871 69.871 68.924 0.947 18480 4542 1 7 . 1 1 7 7 THR H H 7 8.202 8.202 8.431 -0.229 18480 4543 1 7 . 1 1 8 8 THR N N 8 113.695 113.695 117.046 -3.351 18480 4544 1 7 . 1 1 8 8 THR HA H 8 4.439 4.439 4.323 0.116 18480 4545 1 7 . 1 1 8 8 THR C C 8 172.664 172.664 172.772 -0.108 18480 4546 1 7 . 1 1 8 8 THR CA C 8 58.847 58.847 58.890 -0.043 18480 4547 1 7 . 1 1 8 8 THR CB C 8 62.183 62.183 69.339 -7.156 18480 4548 1 7 . 1 1 8 8 THR H H 8 8.113 8.113 7.344 0.769 18480 4549 1 7 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.311 -0.346 18480 4550 1 7 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.160 -0.724 18480 4551 1 7 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.771 -0.600 18480 4552 1 7 . 1 1 10 10 TRP N N 10 108.872 108.872 111.904 -3.032 18480 4553 1 7 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.957 -0.368 18480 4554 1 7 . 1 1 10 10 TRP C C 10 175.817 175.817 175.919 -0.102 18480 4555 1 7 . 1 1 10 10 TRP CA C 10 55.172 55.172 53.813 1.359 18480 4556 1 7 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.866 -0.891 18480 4557 1 7 . 1 1 10 10 TRP H H 10 6.511 6.511 6.903 -0.392 18480 4558 1 7 . 1 1 11 11 THR N N 11 113.736 113.736 116.724 -2.988 18480 4559 1 7 . 1 1 11 11 THR HA H 11 3.899 3.899 4.231 -0.332 18480 4560 1 7 . 1 1 11 11 THR C C 11 173.970 173.970 173.611 0.359 18480 4561 1 7 . 1 1 11 11 THR CA C 11 65.731 65.731 64.254 1.477 18480 4562 1 7 . 1 1 11 11 THR CB C 11 69.609 69.609 69.188 0.421 18480 4563 1 7 . 1 1 11 11 THR H H 11 7.310 7.310 7.556 -0.246 18480 4564 1 7 . 1 1 12 12 ASN N N 12 112.814 112.814 114.416 -1.602 18480 4565 1 7 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.079 -0.407 18480 4566 1 7 . 1 1 12 12 ASN C C 12 172.889 172.889 173.295 -0.406 18480 4567 1 7 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.678 1.450 18480 4568 1 7 . 1 1 12 12 ASN CB C 12 38.699 38.699 39.287 -0.588 18480 4569 1 7 . 1 1 12 12 ASN H H 12 7.234 7.234 7.425 -0.191 18480 4570 1 7 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.226 -0.144 18480 4571 1 7 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.072 -0.430 18480 4572 1 7 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.890 0.163 18480 4573 1 7 . 1 1 14 14 GLY N N 14 107.424 107.424 106.631 0.793 18480 4574 1 7 . 1 1 14 14 GLY C C 14 175.952 175.952 176.323 -0.371 18480 4575 1 7 . 1 1 14 14 GLY CA C 14 47.190 47.190 47.017 0.173 18480 4576 1 7 . 1 1 14 14 GLY H H 14 8.288 8.288 7.973 0.315 18480 4577 1 7 . 1 1 15 15 LEU N N 15 122.906 122.906 122.524 0.382 18480 4578 1 7 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.904 0.126 18480 4579 1 7 . 1 1 15 15 LEU C C 15 178.564 178.564 179.171 -0.607 18480 4580 1 7 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.612 0.264 18480 4581 1 7 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.552 0.764 18480 4582 1 7 . 1 1 15 15 LEU H H 15 7.956 7.956 8.449 -0.493 18480 4583 1 7 . 1 1 16 16 ALA N N 16 122.949 122.949 122.259 0.690 18480 4584 1 7 . 1 1 16 16 ALA HA H 16 4.105 4.105 3.966 0.139 18480 4585 1 7 . 1 1 16 16 ALA C C 16 179.104 179.104 179.625 -0.521 18480 4586 1 7 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.217 0.763 18480 4587 1 7 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.479 0.656 18480 4588 1 7 . 1 1 16 16 ALA H H 16 7.598 7.598 7.749 -0.151 18480 4589 1 7 . 1 1 17 17 GLU N N 17 116.632 116.632 117.264 -0.632 18480 4590 1 7 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.948 -0.128 18480 4591 1 7 . 1 1 17 17 GLU C C 17 177.993 177.993 178.800 -0.807 18480 4592 1 7 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.665 0.384 18480 4593 1 7 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.437 -0.716 18480 4594 1 7 . 1 1 17 17 GLU H H 17 8.097 8.097 8.432 -0.335 18480 4595 1 7 . 1 1 18 18 ASN N N 18 117.645 117.645 119.328 -1.683 18480 4596 1 7 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.479 -0.051 18480 4597 1 7 . 1 1 18 18 ASN C C 18 178.347 178.347 177.497 0.850 18480 4598 1 7 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.644 0.451 18480 4599 1 7 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.119 0.005 18480 4600 1 7 . 1 1 18 18 ASN H H 18 8.196 8.196 8.344 -0.148 18480 4601 1 7 . 1 1 19 19 PHE N N 19 123.188 123.188 122.781 0.407 18480 4602 1 7 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.175 -0.224 18480 4603 1 7 . 1 1 19 19 PHE C C 19 176.837 176.837 177.082 -0.245 18480 4604 1 7 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.868 0.029 18480 4605 1 7 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.978 0.751 18480 4606 1 7 . 1 1 19 19 PHE H H 19 8.868 8.868 8.377 0.491 18480 4607 1 7 . 1 1 20 20 MET N N 20 118.140 118.140 117.853 0.287 18480 4608 1 7 . 1 1 20 20 MET HA H 20 3.303 3.303 3.576 -0.273 18480 4609 1 7 . 1 1 20 20 MET C C 20 178.924 178.924 178.261 0.663 18480 4610 1 7 . 1 1 20 20 MET CA C 20 60.043 60.043 59.456 0.587 18480 4611 1 7 . 1 1 20 20 MET CB C 20 33.527 33.527 31.684 1.843 18480 4612 1 7 . 1 1 20 20 MET H H 20 7.644 7.644 7.454 0.190 18480 4613 1 7 . 1 1 21 21 ASN N N 21 116.213 116.213 118.446 -2.233 18480 4614 1 7 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.362 0.091 18480 4615 1 7 . 1 1 21 21 ASN C C 21 178.249 178.249 177.717 0.532 18480 4616 1 7 . 1 1 21 21 ASN CA C 21 55.949 55.949 57.066 -1.117 18480 4617 1 7 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.420 -0.323 18480 4618 1 7 . 1 1 21 21 ASN H H 21 8.169 8.169 8.353 -0.184 18480 4619 1 7 . 1 1 22 22 SER N N 22 117.086 117.086 116.520 0.566 18480 4620 1 7 . 1 1 22 22 SER HA H 22 4.152 4.152 4.152 -0.000 18480 4621 1 7 . 1 1 22 22 SER C C 22 178.143 178.143 176.149 1.994 18480 4622 1 7 . 1 1 22 22 SER CA C 22 62.154 62.154 61.944 0.210 18480 4623 1 7 . 1 1 22 22 SER CB C 22 62.709 62.709 63.003 -0.294 18480 4624 1 7 . 1 1 22 22 SER H H 22 8.650 8.650 8.276 0.374 18480 4625 1 7 . 1 1 23 23 PHE N N 23 124.044 124.044 124.769 -0.725 18480 4626 1 7 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.298 -0.430 18480 4627 1 7 . 1 1 23 23 PHE C C 23 175.652 175.652 177.121 -1.469 18480 4628 1 7 . 1 1 23 23 PHE CA C 23 62.118 62.118 61.050 1.068 18480 4629 1 7 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.071 -0.821 18480 4630 1 7 . 1 1 23 23 PHE H H 23 8.394 8.394 8.220 0.174 18480 4631 1 7 . 1 1 24 24 MET N N 24 117.794 117.794 117.015 0.779 18480 4632 1 7 . 1 1 24 24 MET HA H 24 4.177 4.177 3.791 0.386 18480 4633 1 7 . 1 1 24 24 MET C C 24 179.797 179.797 178.857 0.940 18480 4634 1 7 . 1 1 24 24 MET CA C 24 56.498 56.498 57.038 -0.540 18480 4635 1 7 . 1 1 24 24 MET CB C 24 31.903 31.903 31.130 0.773 18480 4636 1 7 . 1 1 24 24 MET H H 24 7.781 7.781 8.241 -0.460 18480 4637 1 7 . 1 1 25 25 GLN N N 25 119.477 119.477 118.616 0.861 18480 4638 1 7 . 1 1 25 25 GLN HA H 25 3.964 3.964 3.956 0.008 18480 4639 1 7 . 1 1 25 25 GLN C C 25 179.870 179.870 179.023 0.847 18480 4640 1 7 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.906 -0.158 18480 4641 1 7 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.550 -0.166 18480 4642 1 7 . 1 1 25 25 GLN H H 25 8.233 8.233 8.262 -0.029 18480 4643 1 7 . 1 1 26 26 GLY N N 26 107.052 107.052 108.010 -0.958 18480 4644 1 7 . 1 1 26 26 GLY C C 26 176.387 176.387 176.066 0.321 18480 4645 1 7 . 1 1 26 26 GLY CA C 26 46.673 46.673 46.348 0.325 18480 4646 1 7 . 1 1 26 26 GLY H H 26 7.936 7.936 8.141 -0.205 18480 4647 1 7 . 1 1 27 27 LEU N N 27 122.471 122.471 122.787 -0.316 18480 4648 1 7 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.902 -0.184 18480 4649 1 7 . 1 1 27 27 LEU C C 27 178.564 178.564 178.325 0.239 18480 4650 1 7 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.273 0.920 18480 4651 1 7 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.278 0.415 18480 4652 1 7 . 1 1 27 27 LEU H H 27 8.157 8.157 8.076 0.081 18480 4653 1 7 . 1 1 28 28 SER N N 28 109.215 109.215 113.689 -4.474 18480 4654 1 7 . 1 1 28 28 SER HA H 28 4.064 4.064 4.113 -0.049 18480 4655 1 7 . 1 1 28 28 SER C C 28 174.421 174.421 175.346 -0.925 18480 4656 1 7 . 1 1 28 28 SER CA C 28 61.444 61.444 61.245 0.200 18480 4657 1 7 . 1 1 28 28 SER CB C 28 63.210 63.210 62.614 0.596 18480 4658 1 7 . 1 1 28 28 SER H H 28 7.469 7.469 7.868 -0.399 18480 4659 1 7 . 1 1 29 29 SER N N 29 114.308 114.308 114.981 -0.673 18480 4660 1 7 . 1 1 29 29 SER HA H 29 4.667 4.667 4.555 0.112 18480 4661 1 7 . 1 1 29 29 SER C C 29 173.970 173.970 174.254 -0.284 18480 4662 1 7 . 1 1 29 29 SER CA C 29 57.914 57.914 57.682 0.232 18480 4663 1 7 . 1 1 29 29 SER CB C 29 64.359 64.359 64.119 0.240 18480 4664 1 7 . 1 1 29 29 SER H H 29 7.383 7.383 7.459 -0.076 18480 4665 1 7 . 1 1 30 30 MET N N 30 122.604 122.604 123.364 -0.760 18480 4666 1 7 . 1 1 30 30 MET HA H 30 4.882 4.882 4.794 0.088 18480 4667 1 7 . 1 1 30 30 MET C C 30 174.195 174.195 175.810 -1.615 18480 4668 1 7 . 1 1 30 30 MET CA C 30 53.753 53.753 52.983 0.770 18480 4669 1 7 . 1 1 30 30 MET CB C 30 32.013 32.013 31.015 0.999 18480 4670 1 7 . 1 1 30 30 MET H H 30 7.804 7.804 7.740 0.064 18480 4671 1 7 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.517 0.149 18480 4672 1 7 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.564 -0.867 18480 4673 1 7 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.028 0.925 18480 4674 1 7 . 1 1 32 32 GLY N N 32 104.648 104.648 107.033 -2.385 18480 4675 1 7 . 1 1 32 32 GLY C C 32 172.454 172.454 173.932 -1.478 18480 4676 1 7 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.152 0.269 18480 4677 1 7 . 1 1 32 32 GLY H H 32 8.363 8.363 7.884 0.479 18480 4678 1 7 . 1 1 33 33 PHE N N 33 116.917 116.917 119.139 -2.222 18480 4679 1 7 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.765 0.522 18480 4680 1 7 . 1 1 33 33 PHE C C 33 176.387 176.387 174.438 1.949 18480 4681 1 7 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.697 0.205 18480 4682 1 7 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.834 0.456 18480 4683 1 7 . 1 1 33 33 PHE H H 33 8.118 8.118 7.506 0.612 18480 4684 1 7 . 1 1 34 34 THR N N 34 113.457 113.457 114.041 -0.584 18480 4685 1 7 . 1 1 34 34 THR HA H 34 4.494 4.494 4.655 -0.161 18480 4686 1 7 . 1 1 34 34 THR C C 34 175.066 175.066 175.163 -0.097 18480 4687 1 7 . 1 1 34 34 THR CA C 34 59.946 59.946 59.710 0.236 18480 4688 1 7 . 1 1 34 34 THR CB C 34 70.967 70.967 70.705 0.262 18480 4689 1 7 . 1 1 34 34 THR H H 34 8.727 8.727 8.013 0.714 18480 4690 1 7 . 1 1 35 35 ALA N N 35 122.737 122.737 123.781 -1.044 18480 4691 1 7 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.118 -0.033 18480 4692 1 7 . 1 1 35 35 ALA C C 35 180.755 180.755 179.695 1.060 18480 4693 1 7 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.696 -0.173 18480 4694 1 7 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.234 -0.164 18480 4695 1 7 . 1 1 35 35 ALA H H 35 8.913 8.913 8.711 0.202 18480 4696 1 7 . 1 1 36 36 SER N N 36 113.331 113.331 113.532 -0.201 18480 4697 1 7 . 1 1 36 36 SER HA H 36 4.244 4.244 4.320 -0.076 18480 4698 1 7 . 1 1 36 36 SER C C 36 177.033 177.033 176.745 0.288 18480 4699 1 7 . 1 1 36 36 SER CA C 36 61.453 61.453 61.091 0.362 18480 4700 1 7 . 1 1 36 36 SER CB C 36 62.529 62.529 62.429 0.100 18480 4701 1 7 . 1 1 36 36 SER H H 36 8.347 8.347 8.415 -0.068 18480 4702 1 7 . 1 1 37 37 GLN N N 37 122.548 122.548 123.507 -0.959 18480 4703 1 7 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.131 -0.072 18480 4704 1 7 . 1 1 37 37 GLN C C 37 179.149 179.149 178.184 0.965 18480 4705 1 7 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.811 0.156 18480 4706 1 7 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.238 -0.217 18480 4707 1 7 . 1 1 37 37 GLN H H 37 7.500 7.500 8.108 -0.608 18480 4708 1 7 . 1 1 38 38 LEU N N 38 117.948 117.948 119.351 -1.403 18480 4709 1 7 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.027 -0.135 18480 4710 1 7 . 1 1 38 38 LEU C C 38 179.675 179.675 179.222 0.453 18480 4711 1 7 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.544 0.415 18480 4712 1 7 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.680 -0.187 18480 4713 1 7 . 1 1 38 38 LEU H H 38 8.217 8.217 8.520 -0.303 18480 4714 1 7 . 1 1 39 39 ASP N N 39 120.923 120.923 119.170 1.753 18480 4715 1 7 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.286 0.125 18480 4716 1 7 . 1 1 39 39 ASP C C 39 179.224 179.224 178.170 1.054 18480 4717 1 7 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.972 -0.366 18480 4718 1 7 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.821 1.007 18480 4719 1 7 . 1 1 39 39 ASP H H 39 8.192 8.192 8.361 -0.169 18480 4720 1 7 . 1 1 40 40 ASP N N 40 123.608 123.608 120.006 3.602 18480 4721 1 7 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.406 -0.189 18480 4722 1 7 . 1 1 40 40 ASP C C 40 179.600 179.600 178.396 1.204 18480 4723 1 7 . 1 1 40 40 ASP CA C 40 58.640 58.640 57.019 1.621 18480 4724 1 7 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.345 -2.033 18480 4725 1 7 . 1 1 40 40 ASP H H 40 8.366 8.366 7.882 0.484 18480 4726 1 7 . 1 1 41 41 MET N N 41 118.772 118.772 116.917 1.855 18480 4727 1 7 . 1 1 41 41 MET HA H 41 3.638 3.638 4.256 -0.618 18480 4728 1 7 . 1 1 41 41 MET C C 41 177.693 177.693 178.053 -0.360 18480 4729 1 7 . 1 1 41 41 MET CA C 41 60.513 60.513 58.658 1.855 18480 4730 1 7 . 1 1 41 41 MET CB C 41 34.320 34.320 32.233 2.087 18480 4731 1 7 . 1 1 41 41 MET H H 41 8.423 8.423 7.766 0.657 18480 4732 1 7 . 1 1 42 42 SER N N 42 115.040 115.040 115.350 -0.310 18480 4733 1 7 . 1 1 42 42 SER HA H 42 4.168 4.168 4.160 0.008 18480 4734 1 7 . 1 1 42 42 SER C C 42 177.483 177.483 176.405 1.078 18480 4735 1 7 . 1 1 42 42 SER CA C 42 61.923 61.923 61.215 0.708 18480 4736 1 7 . 1 1 42 42 SER CB C 42 63.084 63.084 63.059 0.026 18480 4737 1 7 . 1 1 42 42 SER H H 42 8.901 8.901 8.599 0.302 18480 4738 1 7 . 1 1 43 43 THR N N 43 118.747 118.747 118.570 0.177 18480 4739 1 7 . 1 1 43 43 THR HA H 43 3.914 3.914 4.093 -0.179 18480 4740 1 7 . 1 1 43 43 THR C C 43 177.258 177.258 176.500 0.758 18480 4741 1 7 . 1 1 43 43 THR CA C 43 67.017 67.017 66.379 0.638 18480 4742 1 7 . 1 1 43 43 THR CB C 43 69.500 69.500 68.676 0.824 18480 4743 1 7 . 1 1 43 43 THR H H 43 8.479 8.479 7.525 0.954 18480 4744 1 7 . 1 1 44 44 ILE N N 44 121.898 121.898 121.674 0.224 18480 4745 1 7 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.893 -0.190 18480 4746 1 7 . 1 1 44 44 ILE C C 44 178.564 178.564 177.775 0.789 18480 4747 1 7 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.657 -0.593 18480 4748 1 7 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.340 -1.131 18480 4749 1 7 . 1 1 44 44 ILE H H 44 7.807 7.807 7.545 0.262 18480 4750 1 7 . 1 1 45 45 ALA N N 45 124.002 124.002 122.202 1.800 18480 4751 1 7 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.204 -0.162 18480 4752 1 7 . 1 1 45 45 ALA C C 45 179.404 179.404 179.603 -0.199 18480 4753 1 7 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.784 0.757 18480 4754 1 7 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.094 0.364 18480 4755 1 7 . 1 1 45 45 ALA H H 45 9.145 9.145 8.260 0.885 18480 4756 1 7 . 1 1 46 46 GLN N N 46 115.753 115.753 117.483 -1.730 18480 4757 1 7 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.116 -0.093 18480 4758 1 7 . 1 1 46 46 GLN C C 46 179.014 179.014 178.689 0.325 18480 4759 1 7 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.484 0.469 18480 4760 1 7 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.738 -0.338 18480 4761 1 7 . 1 1 46 46 GLN H H 46 8.459 8.459 7.781 0.678 18480 4762 1 7 . 1 1 47 47 SER N N 47 116.041 116.041 117.197 -1.156 18480 4763 1 7 . 1 1 47 47 SER HA H 47 4.258 4.258 4.151 0.107 18480 4764 1 7 . 1 1 47 47 SER C C 47 177.483 177.483 176.853 0.630 18480 4765 1 7 . 1 1 47 47 SER CA C 47 62.328 62.328 61.910 0.418 18480 4766 1 7 . 1 1 47 47 SER CB C 47 63.154 63.154 63.027 0.127 18480 4767 1 7 . 1 1 47 47 SER H H 47 7.961 7.961 8.159 -0.198 18480 4768 1 7 . 1 1 48 48 MET N N 48 122.349 122.349 119.759 2.590 18480 4769 1 7 . 1 1 48 48 MET HA H 48 4.376 4.376 4.356 0.020 18480 4770 1 7 . 1 1 48 48 MET C C 48 177.798 177.798 178.332 -0.534 18480 4771 1 7 . 1 1 48 48 MET CA C 48 58.198 58.198 57.620 0.578 18480 4772 1 7 . 1 1 48 48 MET CB C 48 32.102 32.102 32.183 -0.081 18480 4773 1 7 . 1 1 48 48 MET H H 48 8.508 8.508 8.341 0.167 18480 4774 1 7 . 1 1 49 49 VAL N N 49 122.061 122.061 117.687 4.374 18480 4775 1 7 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.668 -0.226 18480 4776 1 7 . 1 1 49 49 VAL C C 49 177.910 177.910 177.931 -0.021 18480 4777 1 7 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.455 1.468 18480 4778 1 7 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.847 0.912 18480 4779 1 7 . 1 1 49 49 VAL H H 49 8.541 8.541 7.593 0.948 18480 4780 1 7 . 1 1 50 50 GLN N N 50 118.465 118.465 119.213 -0.748 18480 4781 1 7 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.014 0.043 18480 4782 1 7 . 1 1 50 50 GLN C C 50 179.449 179.449 178.002 1.447 18480 4783 1 7 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.084 -0.059 18480 4784 1 7 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.463 -0.456 18480 4785 1 7 . 1 1 50 50 GLN H H 50 8.165 8.165 8.678 -0.513 18480 4786 1 7 . 1 1 51 51 SER N N 51 117.659 117.659 116.981 0.678 18480 4787 1 7 . 1 1 51 51 SER HA H 51 3.854 3.854 4.170 -0.316 18480 4788 1 7 . 1 1 51 51 SER C C 51 176.374 176.374 176.773 -0.399 18480 4789 1 7 . 1 1 51 51 SER CA C 51 62.642 62.642 61.656 0.986 18480 4790 1 7 . 1 1 51 51 SER CB C 51 63.039 63.039 62.913 0.126 18480 4791 1 7 . 1 1 51 51 SER H H 51 8.199 8.199 7.725 0.474 18480 4792 1 7 . 1 1 52 52 ILE N N 52 122.930 122.930 122.384 0.546 18480 4793 1 7 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.611 -0.231 18480 4794 1 7 . 1 1 52 52 ILE C C 52 178.684 178.684 177.826 0.858 18480 4795 1 7 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.149 1.166 18480 4796 1 7 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.838 -0.290 18480 4797 1 7 . 1 1 52 52 ILE H H 52 8.068 8.068 8.295 -0.227 18480 4798 1 7 . 1 1 53 53 GLN N N 53 118.774 118.774 118.796 -0.022 18480 4799 1 7 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.903 0.010 18480 4800 1 7 . 1 1 53 53 GLN C C 53 179.014 179.014 178.681 0.333 18480 4801 1 7 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.475 -0.307 18480 4802 1 7 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.507 -0.490 18480 4803 1 7 . 1 1 53 53 GLN H H 53 8.459 8.459 8.249 0.210 18480 4804 1 7 . 1 1 54 54 SER N N 54 115.452 115.452 115.690 -0.238 18480 4805 1 7 . 1 1 54 54 SER HA H 54 4.294 4.294 4.233 0.061 18480 4806 1 7 . 1 1 54 54 SER C C 54 176.822 176.822 176.028 0.794 18480 4807 1 7 . 1 1 54 54 SER CA C 54 61.276 61.276 62.024 -0.748 18480 4808 1 7 . 1 1 54 54 SER CB C 54 62.873 62.873 62.882 -0.009 18480 4809 1 7 . 1 1 54 54 SER H H 54 8.330 8.330 7.898 0.432 18480 4810 1 7 . 1 1 55 55 LEU N N 55 121.066 121.066 120.928 0.138 18480 4811 1 7 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.228 -0.247 18480 4812 1 7 . 1 1 55 55 LEU C C 55 179.434 179.434 178.009 1.425 18480 4813 1 7 . 1 1 55 55 LEU CA C 55 57.976 57.976 56.912 1.064 18480 4814 1 7 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.774 0.832 18480 4815 1 7 . 1 1 55 55 LEU H H 55 8.211 8.211 7.351 0.860 18480 4816 1 7 . 1 1 56 56 ALA N N 56 122.497 122.497 123.044 -0.547 18480 4817 1 7 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.179 -0.030 18480 4818 1 7 . 1 1 56 56 ALA C C 56 180.530 180.530 179.519 1.011 18480 4819 1 7 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.605 0.464 18480 4820 1 7 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.410 -0.448 18480 4821 1 7 . 1 1 56 56 ALA H H 56 8.902 8.902 8.399 0.503 18480 4822 1 7 . 1 1 57 57 ALA N N 57 122.922 122.922 119.550 3.372 18480 4823 1 7 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.094 0.063 18480 4824 1 7 . 1 1 57 57 ALA C C 57 179.344 179.344 179.373 -0.029 18480 4825 1 7 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.283 0.715 18480 4826 1 7 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.452 -0.423 18480 4827 1 7 . 1 1 57 57 ALA H H 57 8.140 8.140 8.047 0.093 18480 4828 1 7 . 1 1 58 58 GLN N N 58 113.359 113.359 115.467 -2.108 18480 4829 1 7 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.335 0.027 18480 4830 1 7 . 1 1 58 58 GLN C C 58 176.612 176.612 176.470 0.142 18480 4831 1 7 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.477 0.121 18480 4832 1 7 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.467 1.608 18480 4833 1 7 . 1 1 58 58 GLN H H 58 7.415 7.415 7.878 -0.463 18480 4834 1 7 . 1 1 59 59 GLY N N 59 109.012 109.012 106.741 2.271 18480 4835 1 7 . 1 1 59 59 GLY C C 59 174.856 174.856 174.889 -0.033 18480 4836 1 7 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.380 1.381 18480 4837 1 7 . 1 1 59 59 GLY H H 59 7.979 7.979 7.585 0.394 18480 4838 1 7 . 1 1 60 60 ARG N N 60 115.906 115.906 117.858 -1.952 18480 4839 1 7 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.450 0.152 18480 4840 1 7 . 1 1 60 60 ARG C C 60 175.847 175.847 175.661 0.186 18480 4841 1 7 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.935 0.873 18480 4842 1 7 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.875 1.532 18480 4843 1 7 . 1 1 60 60 ARG H H 60 8.126 8.126 8.319 -0.193 18480 4844 1 7 . 1 1 61 61 THR N N 61 107.985 107.985 114.978 -6.993 18480 4845 1 7 . 1 1 61 61 THR HA H 61 4.125 4.125 4.369 -0.244 18480 4846 1 7 . 1 1 61 61 THR C C 61 173.654 173.654 173.909 -0.255 18480 4847 1 7 . 1 1 61 61 THR CA C 61 62.194 62.194 62.254 -0.060 18480 4848 1 7 . 1 1 61 61 THR CB C 61 69.512 69.512 69.491 0.021 18480 4849 1 7 . 1 1 61 61 THR H H 61 7.663 7.663 7.686 -0.023 18480 4850 1 7 . 1 1 62 62 SER N N 62 113.733 113.733 119.250 -5.517 18480 4851 1 7 . 1 1 62 62 SER HA H 62 4.973 4.973 4.792 0.181 18480 4852 1 7 . 1 1 62 62 SER C C 62 173.207 173.207 173.230 -0.023 18480 4853 1 7 . 1 1 62 62 SER CA C 62 56.343 56.343 56.086 0.257 18480 4854 1 7 . 1 1 62 62 SER CB C 62 63.992 63.992 65.194 -1.202 18480 4855 1 7 . 1 1 62 62 SER H H 62 7.057 7.057 8.086 -1.029 18480 4856 1 7 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.644 0.058 18480 4857 1 7 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.853 0.447 18480 4858 1 7 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.067 0.169 18480 4859 1 7 . 1 1 64 64 ASN N N 64 114.886 114.886 114.784 0.102 18480 4860 1 7 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.520 -0.118 18480 4861 1 7 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.948 0.303 18480 4862 1 7 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.361 0.675 18480 4863 1 7 . 1 1 64 64 ASN H H 64 8.642 8.642 8.865 -0.223 18480 4864 1 7 . 1 1 65 65 LYS N N 65 119.774 119.774 121.429 -1.655 18480 4865 1 7 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.183 -0.377 18480 4866 1 7 . 1 1 65 65 LYS C C 65 178.999 178.999 178.031 0.968 18480 4867 1 7 . 1 1 65 65 LYS CA C 65 60.878 60.878 57.917 2.961 18480 4868 1 7 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.333 0.904 18480 4869 1 7 . 1 1 65 65 LYS H H 65 7.882 7.882 7.338 0.544 18480 4870 1 7 . 1 1 66 66 LEU N N 66 117.686 117.686 117.915 -0.229 18480 4871 1 7 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.176 -0.154 18480 4872 1 7 . 1 1 66 66 LEU C C 66 178.928 178.928 179.417 -0.489 18480 4873 1 7 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.051 0.866 18480 4874 1 7 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.144 -0.611 18480 4875 1 7 . 1 1 66 66 LEU H H 66 8.666 8.666 8.378 0.288 18480 4876 1 7 . 1 1 67 67 GLN N N 67 124.469 124.469 120.156 4.313 18480 4877 1 7 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.361 -0.069 18480 4878 1 7 . 1 1 67 67 GLN C C 67 178.789 178.789 177.824 0.965 18480 4879 1 7 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.463 1.428 18480 4880 1 7 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.248 -0.089 18480 4881 1 7 . 1 1 67 67 GLN H H 67 8.997 8.997 8.267 0.730 18480 4882 1 7 . 1 1 68 68 ALA N N 68 121.986 121.986 121.379 0.607 18480 4883 1 7 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.166 -0.356 18480 4884 1 7 . 1 1 68 68 ALA C C 68 180.320 180.320 177.818 2.502 18480 4885 1 7 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.909 1.594 18480 4886 1 7 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.494 -0.282 18480 4887 1 7 . 1 1 68 68 ALA H H 68 7.427 7.427 7.680 -0.253 18480 4888 1 7 . 1 1 69 69 LEU N N 69 118.881 118.881 116.717 2.164 18480 4889 1 7 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.488 -0.436 18480 4890 1 7 . 1 1 69 69 LEU C C 69 178.864 178.864 177.011 1.853 18480 4891 1 7 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.327 3.420 18480 4892 1 7 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.339 -0.445 18480 4893 1 7 . 1 1 69 69 LEU H H 69 8.143 8.143 7.216 0.927 18480 4894 1 7 . 1 1 70 70 ASN N N 70 119.848 119.848 120.247 -0.399 18480 4895 1 7 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.593 -0.202 18480 4896 1 7 . 1 1 70 70 ASN C C 70 177.483 177.483 176.773 0.710 18480 4897 1 7 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.419 1.365 18480 4898 1 7 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.467 0.005 18480 4899 1 7 . 1 1 70 70 ASN H H 70 8.456 8.456 7.823 0.633 18480 4900 1 7 . 1 1 71 71 MET N N 71 118.843 118.843 118.782 0.061 18480 4901 1 7 . 1 1 71 71 MET HA H 71 4.769 4.769 4.483 0.286 18480 4902 1 7 . 1 1 71 71 MET C C 71 178.279 178.279 177.437 0.842 18480 4903 1 7 . 1 1 71 71 MET CA C 71 56.415 56.415 58.213 -1.798 18480 4904 1 7 . 1 1 71 71 MET CB C 71 29.788 29.788 32.534 -2.746 18480 4905 1 7 . 1 1 71 71 MET H H 71 7.757 7.757 7.518 0.239 18480 4906 1 7 . 1 1 72 72 ALA N N 72 126.265 126.265 123.157 3.108 18480 4907 1 7 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.127 0.115 18480 4908 1 7 . 1 1 72 72 ALA C C 72 179.059 179.059 179.303 -0.244 18480 4909 1 7 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.089 0.037 18480 4910 1 7 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.287 0.636 18480 4911 1 7 . 1 1 72 72 ALA H H 72 8.559 8.559 8.380 0.179 18480 4912 1 7 . 1 1 73 73 PHE N N 73 118.887 118.887 119.463 -0.576 18480 4913 1 7 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.168 -0.105 18480 4914 1 7 . 1 1 73 73 PHE C C 73 177.258 177.258 176.474 0.784 18480 4915 1 7 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.199 0.873 18480 4916 1 7 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.009 0.296 18480 4917 1 7 . 1 1 73 73 PHE H H 73 8.337 8.337 7.548 0.789 18480 4918 1 7 . 1 1 74 74 ALA N N 74 122.360 122.360 121.398 0.962 18480 4919 1 7 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.626 -0.395 18480 4920 1 7 . 1 1 74 74 ALA C C 74 179.374 179.374 179.488 -0.114 18480 4921 1 7 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.832 0.984 18480 4922 1 7 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.457 0.423 18480 4923 1 7 . 1 1 74 74 ALA H H 74 8.540 8.540 7.703 0.837 18480 4924 1 7 . 1 1 75 75 SER N N 75 112.265 112.265 114.301 -2.036 18480 4925 1 7 . 1 1 75 75 SER HA H 75 3.858 3.858 4.268 -0.410 18480 4926 1 7 . 1 1 75 75 SER CA C 75 62.251 62.251 61.907 0.344 18480 4927 1 7 . 1 1 75 75 SER CB C 75 62.874 62.874 63.014 -0.140 18480 4928 1 7 . 1 1 75 75 SER H H 75 8.859 8.859 8.664 0.195 18480 4929 1 7 . 1 1 76 76 SER N N 76 118.859 118.859 119.674 -0.815 18480 4930 1 7 . 1 1 76 76 SER HA H 76 3.964 3.964 4.382 -0.418 18480 4931 1 7 . 1 1 76 76 SER CA C 76 63.066 63.066 61.117 1.949 18480 4932 1 7 . 1 1 76 76 SER CB C 76 63.377 63.377 62.992 0.385 18480 4933 1 7 . 1 1 76 76 SER H H 76 8.065 8.065 7.828 0.237 18480 4934 1 7 . 1 1 77 77 MET N N 77 120.030 120.030 119.233 0.797 18480 4935 1 7 . 1 1 77 77 MET HA H 77 4.234 4.234 4.135 0.099 18480 4936 1 7 . 1 1 77 77 MET C C 77 178.354 178.354 178.332 0.022 18480 4937 1 7 . 1 1 77 77 MET CA C 77 57.167 57.167 56.787 0.380 18480 4938 1 7 . 1 1 77 77 MET CB C 77 32.728 32.728 31.203 1.525 18480 4939 1 7 . 1 1 77 77 MET H H 77 7.397 7.397 7.774 -0.377 18480 4940 1 7 . 1 1 78 78 ALA N N 78 119.880 119.880 123.044 -3.164 18480 4941 1 7 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.047 -0.144 18480 4942 1 7 . 1 1 78 78 ALA C C 78 178.354 178.354 179.215 -0.861 18480 4943 1 7 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.140 0.000 18480 4944 1 7 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.329 0.772 18480 4945 1 7 . 1 1 78 78 ALA H H 78 7.908 7.908 7.953 -0.045 18480 4946 1 7 . 1 1 79 79 GLU N N 79 117.907 117.907 119.602 -1.695 18480 4947 1 7 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.433 0.506 18480 4948 1 7 . 1 1 79 79 GLU C C 79 178.894 178.894 179.106 -0.212 18480 4949 1 7 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.450 0.250 18480 4950 1 7 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.378 0.269 18480 4951 1 7 . 1 1 79 79 GLU H H 79 8.576 8.576 8.061 0.515 18480 4952 1 7 . 1 1 80 80 ILE N N 80 121.918 121.918 118.889 3.029 18480 4953 1 7 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.673 -0.071 18480 4954 1 7 . 1 1 80 80 ILE C C 80 179.014 179.014 177.948 1.066 18480 4955 1 7 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.825 0.306 18480 4956 1 7 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.730 -0.105 18480 4957 1 7 . 1 1 80 80 ILE H H 80 8.065 8.065 7.731 0.334 18480 4958 1 7 . 1 1 81 81 ALA N N 81 120.266 120.266 122.373 -2.107 18480 4959 1 7 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.240 -0.092 18480 4960 1 7 . 1 1 81 81 ALA C C 81 177.258 177.258 178.607 -1.349 18480 4961 1 7 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.653 0.487 18480 4962 1 7 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.901 0.254 18480 4963 1 7 . 1 1 81 81 ALA H H 81 8.169 8.169 7.792 0.377 18480 4964 1 7 . 1 1 82 82 ALA N N 82 114.813 114.813 116.060 -1.247 18480 4965 1 7 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.234 -0.183 18480 4966 1 7 . 1 1 82 82 ALA C C 82 177.693 177.693 178.035 -0.342 18480 4967 1 7 . 1 1 82 82 ALA CA C 82 53.767 53.767 52.916 0.850 18480 4968 1 7 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.834 2.165 18480 4969 1 7 . 1 1 82 82 ALA H H 82 8.019 8.019 8.289 -0.270 18480 4970 1 7 . 1 1 83 83 SER N N 83 110.140 110.140 114.977 -4.837 18480 4971 1 7 . 1 1 83 83 SER HA H 83 4.415 4.415 4.487 -0.072 18480 4972 1 7 . 1 1 83 83 SER C C 83 174.856 174.856 174.801 0.055 18480 4973 1 7 . 1 1 83 83 SER CA C 83 59.772 59.772 60.462 -0.690 18480 4974 1 7 . 1 1 83 83 SER CB C 83 64.952 64.952 64.577 0.375 18480 4975 1 7 . 1 1 83 83 SER H H 83 7.823 7.823 7.433 0.390 18480 4976 1 7 . 1 1 84 84 GLU N N 84 120.696 120.696 118.909 1.787 18480 4977 1 7 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.568 -0.067 18480 4978 1 7 . 1 1 84 84 GLU C C 84 176.597 176.597 173.923 2.674 18480 4979 1 7 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.269 1.327 18480 4980 1 7 . 1 1 84 84 GLU CB C 84 28.537 28.537 32.313 -3.776 18480 4981 1 7 . 1 1 84 84 GLU H H 84 7.666 7.666 7.606 0.060 18480 4982 1 7 . 1 1 85 85 GLU N N 85 124.951 124.951 121.875 3.076 18480 4983 1 7 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.583 -0.321 18480 4984 1 7 . 1 1 85 85 GLU C C 85 177.258 177.258 175.244 2.014 18480 4985 1 7 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.046 1.799 18480 4986 1 7 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.884 -1.081 18480 4987 1 7 . 1 1 85 85 GLU H H 85 8.735 8.735 8.302 0.433 18480 4988 1 7 . 1 1 86 86 GLY N N 86 110.356 110.356 109.344 1.012 18480 4989 1 7 . 1 1 86 86 GLY C C 86 174.856 174.856 174.895 -0.039 18480 4990 1 7 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.283 -0.893 18480 4991 1 7 . 1 1 86 86 GLY H H 86 8.609 8.609 8.812 -0.203 18480 4992 1 7 . 1 1 87 87 GLY N N 87 107.569 107.569 108.323 -0.754 18480 4993 1 7 . 1 1 87 87 GLY C C 87 174.436 174.436 174.912 -0.476 18480 4994 1 7 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.891 -0.631 18480 4995 1 7 . 1 1 87 87 GLY H H 87 7.931 7.931 8.120 -0.189 18480 4996 1 7 . 1 1 88 88 GLY N N 88 109.889 109.889 108.665 1.224 18480 4997 1 7 . 1 1 88 88 GLY C C 88 173.325 173.325 173.920 -0.595 18480 4998 1 7 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.216 0.950 18480 4999 1 7 . 1 1 88 88 GLY H H 88 8.650 8.650 7.970 0.680 18480 5000 1 7 . 1 1 89 89 SER N N 89 114.731 114.731 119.745 -5.014 18480 5001 1 7 . 1 1 89 89 SER HA H 89 4.411 4.411 4.469 -0.058 18480 5002 1 7 . 1 1 89 89 SER C C 89 175.066 175.066 176.468 -1.402 18480 5003 1 7 . 1 1 89 89 SER CA C 89 57.363 57.363 57.422 -0.059 18480 5004 1 7 . 1 1 89 89 SER CB C 89 62.483 62.483 64.141 -1.658 18480 5005 1 7 . 1 1 89 89 SER H H 89 8.640 8.640 8.119 0.521 18480 5006 1 7 . 1 1 90 90 LEU N N 90 123.210 123.210 125.499 -2.289 18480 5007 1 7 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.000 -0.025 18480 5008 1 7 . 1 1 90 90 LEU C C 90 179.434 179.434 177.943 1.491 18480 5009 1 7 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.474 -0.131 18480 5010 1 7 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.209 0.155 18480 5011 1 7 . 1 1 90 90 LEU H H 90 8.976 8.976 8.833 0.143 18480 5012 1 7 . 1 1 91 91 SER N N 91 115.789 115.789 111.494 4.295 18480 5013 1 7 . 1 1 91 91 SER HA H 91 4.149 4.149 4.216 -0.067 18480 5014 1 7 . 1 1 91 91 SER C C 91 177.325 177.325 176.961 0.364 18480 5015 1 7 . 1 1 91 91 SER CA C 91 61.794 61.794 61.711 0.083 18480 5016 1 7 . 1 1 91 91 SER CB C 91 62.276 62.276 63.083 -0.807 18480 5017 1 7 . 1 1 91 91 SER H H 91 8.612 8.612 8.181 0.431 18480 5018 1 7 . 1 1 92 92 THR N N 92 122.677 122.677 116.380 6.297 18480 5019 1 7 . 1 1 92 92 THR HA H 92 3.919 3.919 4.182 -0.263 18480 5020 1 7 . 1 1 92 92 THR C C 92 176.162 176.162 176.264 -0.102 18480 5021 1 7 . 1 1 92 92 THR CA C 92 66.719 66.719 66.203 0.516 18480 5022 1 7 . 1 1 92 92 THR CB C 92 68.236 68.236 68.366 -0.130 18480 5023 1 7 . 1 1 92 92 THR H H 92 7.871 7.871 8.277 -0.406 18480 5024 1 7 . 1 1 93 93 LYS N N 93 119.820 119.820 122.299 -2.479 18480 5025 1 7 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.209 -0.640 18480 5026 1 7 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.812 0.840 18480 5027 1 7 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.969 1.759 18480 5028 1 7 . 1 1 93 93 LYS H H 93 8.263 8.263 7.579 0.684 18480 5029 1 7 . 1 1 94 94 THR N N 94 113.759 113.759 116.286 -2.527 18480 5030 1 7 . 1 1 94 94 THR HA H 94 3.692 3.692 4.093 -0.401 18480 5031 1 7 . 1 1 94 94 THR C C 94 177.033 177.033 176.712 0.321 18480 5032 1 7 . 1 1 94 94 THR CA C 94 68.122 68.122 67.126 0.996 18480 5033 1 7 . 1 1 94 94 THR CB C 94 68.342 68.342 68.211 0.131 18480 5034 1 7 . 1 1 94 94 THR H H 94 8.448 8.448 7.848 0.600 18480 5035 1 7 . 1 1 95 95 SER N N 95 117.547 117.547 118.118 -0.571 18480 5036 1 7 . 1 1 95 95 SER HA H 95 4.262 4.262 4.289 -0.027 18480 5037 1 7 . 1 1 95 95 SER C C 95 177.828 177.828 176.858 0.970 18480 5038 1 7 . 1 1 95 95 SER CA C 95 61.758 61.758 61.485 0.273 18480 5039 1 7 . 1 1 95 95 SER CB C 95 62.667 62.667 62.980 -0.312 18480 5040 1 7 . 1 1 95 95 SER H H 95 8.173 8.173 7.707 0.466 18480 5041 1 7 . 1 1 96 96 SER N N 96 121.366 121.366 119.500 1.866 18480 5042 1 7 . 1 1 96 96 SER HA H 96 4.035 4.035 4.271 -0.236 18480 5043 1 7 . 1 1 96 96 SER CA C 96 62.467 62.467 62.483 -0.016 18480 5044 1 7 . 1 1 96 96 SER CB C 96 61.755 61.755 63.174 -1.419 18480 5045 1 7 . 1 1 96 96 SER H H 96 8.830 8.830 8.169 0.661 18480 5046 1 7 . 1 1 97 97 ILE N N 97 121.943 121.943 121.469 0.474 18480 5047 1 7 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.868 -0.059 18480 5048 1 7 . 1 1 97 97 ILE C C 97 177.693 177.693 177.676 0.017 18480 5049 1 7 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.448 0.593 18480 5050 1 7 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.822 -0.286 18480 5051 1 7 . 1 1 97 97 ILE H H 97 8.380 8.380 8.722 -0.342 18480 5052 1 7 . 1 1 98 98 ALA N N 98 122.507 122.507 122.478 0.029 18480 5053 1 7 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.059 -0.019 18480 5054 1 7 . 1 1 98 98 ALA C C 98 180.740 180.740 179.919 0.821 18480 5055 1 7 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.529 0.859 18480 5056 1 7 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.032 0.122 18480 5057 1 7 . 1 1 98 98 ALA H H 98 8.624 8.624 8.068 0.556 18480 5058 1 7 . 1 1 99 99 SER N N 99 115.850 115.850 114.640 1.210 18480 5059 1 7 . 1 1 99 99 SER HA H 99 4.325 4.325 4.487 -0.162 18480 5060 1 7 . 1 1 99 99 SER C C 99 177.168 177.168 176.553 0.615 18480 5061 1 7 . 1 1 99 99 SER CA C 99 61.867 61.867 61.344 0.523 18480 5062 1 7 . 1 1 99 99 SER CB C 99 63.200 63.200 63.168 0.032 18480 5063 1 7 . 1 1 99 99 SER H H 99 8.667 8.667 8.483 0.184 18480 5064 1 7 . 1 1 100 100 ALA N N 100 124.410 124.410 125.614 -1.204 18480 5065 1 7 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.850 -0.708 18480 5066 1 7 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.576 0.812 18480 5067 1 7 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.430 0.197 18480 5068 1 7 . 1 1 100 100 ALA H H 100 8.744 8.744 8.022 0.722 18480 5069 1 7 . 1 1 101 101 MET N N 101 119.346 119.346 118.147 1.199 18480 5070 1 7 . 1 1 101 101 MET HA H 101 4.368 4.368 4.289 0.079 18480 5071 1 7 . 1 1 101 101 MET CA C 101 59.163 59.163 57.597 1.566 18480 5072 1 7 . 1 1 101 101 MET CB C 101 33.233 33.233 32.179 1.054 18480 5073 1 7 . 1 1 101 101 MET H H 101 9.152 9.152 8.794 0.358 18480 5074 1 7 . 1 1 102 102 SER N N 102 117.124 117.124 115.154 1.970 18480 5075 1 7 . 1 1 102 102 SER HA H 102 4.382 4.382 4.585 -0.203 18480 5076 1 7 . 1 1 102 102 SER CA C 102 63.424 63.424 62.160 1.264 18480 5077 1 7 . 1 1 102 102 SER CB C 102 62.639 62.639 62.956 -0.317 18480 5078 1 7 . 1 1 102 102 SER H H 102 8.766 8.766 8.388 0.378 18480 5079 1 7 . 1 1 103 103 ASN N N 103 118.601 118.601 119.558 -0.957 18480 5080 1 7 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.632 -0.166 18480 5081 1 7 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.770 0.869 18480 5082 1 7 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.299 0.008 18480 5083 1 7 . 1 1 103 103 ASN H H 103 8.298 8.298 8.186 0.112 18480 5084 1 7 . 1 1 104 104 ALA N N 104 122.821 122.821 122.768 0.053 18480 5085 1 7 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.075 0.164 18480 5086 1 7 . 1 1 104 104 ALA C C 104 181.701 181.701 179.443 2.258 18480 5087 1 7 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.514 0.758 18480 5088 1 7 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.120 0.054 18480 5089 1 7 . 1 1 104 104 ALA H H 104 7.969 7.969 7.377 0.592 18480 5090 1 7 . 1 1 105 105 PHE N N 105 119.585 119.585 118.761 0.824 18480 5091 1 7 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.532 -0.324 18480 5092 1 7 . 1 1 105 105 PHE C C 105 179.224 179.224 178.155 1.069 18480 5093 1 7 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.557 2.565 18480 5094 1 7 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.973 0.594 18480 5095 1 7 . 1 1 105 105 PHE H H 105 8.647 8.647 7.860 0.787 18480 5096 1 7 . 1 1 106 106 LEU N N 106 121.925 121.925 118.072 3.853 18480 5097 1 7 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.092 -0.393 18480 5098 1 7 . 1 1 106 106 LEU C C 106 179.074 179.074 179.342 -0.268 18480 5099 1 7 . 1 1 106 106 LEU CA C 106 59.055 59.055 58.041 1.014 18480 5100 1 7 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.340 0.122 18480 5101 1 7 . 1 1 106 106 LEU H H 106 8.450 8.450 7.640 0.810 18480 5102 1 7 . 1 1 107 107 GLN N N 107 115.214 115.214 117.317 -2.103 18480 5103 1 7 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.283 -0.181 18480 5104 1 7 . 1 1 107 107 GLN C C 107 176.822 176.822 177.428 -0.606 18480 5105 1 7 . 1 1 107 107 GLN CA C 107 57.586 57.586 58.195 -0.609 18480 5106 1 7 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.591 0.688 18480 5107 1 7 . 1 1 107 107 GLN H H 107 8.444 8.444 7.821 0.623 18480 5108 1 7 . 1 1 108 108 THR N N 108 109.014 109.014 113.453 -4.439 18480 5109 1 7 . 1 1 108 108 THR HA H 108 4.369 4.369 4.361 0.008 18480 5110 1 7 . 1 1 108 108 THR C C 108 175.952 175.952 176.222 -0.270 18480 5111 1 7 . 1 1 108 108 THR CA C 108 63.658 63.658 63.851 -0.193 18480 5112 1 7 . 1 1 108 108 THR CB C 108 70.179 70.179 68.732 1.447 18480 5113 1 7 . 1 1 108 108 THR H H 108 7.631 7.631 7.731 -0.100 18480 5114 1 7 . 1 1 109 109 THR N N 109 110.844 110.844 115.587 -4.743 18480 5115 1 7 . 1 1 109 109 THR HA H 109 4.477 4.477 4.315 0.162 18480 5116 1 7 . 1 1 109 109 THR C C 109 176.162 176.162 176.036 0.126 18480 5117 1 7 . 1 1 109 109 THR CA C 109 61.728 61.728 63.018 -1.290 18480 5118 1 7 . 1 1 109 109 THR CB C 109 70.659 70.659 69.714 0.945 18480 5119 1 7 . 1 1 109 109 THR H H 109 8.623 8.623 7.965 0.658 18480 5120 1 7 . 1 1 110 110 GLY N N 110 109.549 109.549 108.782 0.767 18480 5121 1 7 . 1 1 110 110 GLY C C 110 172.889 172.889 173.204 -0.315 18480 5122 1 7 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.882 0.661 18480 5123 1 7 . 1 1 110 110 GLY H H 110 8.113 8.113 8.544 -0.431 18480 5124 1 7 . 1 1 111 111 VAL N N 111 118.903 118.903 118.113 0.790 18480 5125 1 7 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.375 -0.119 18480 5126 1 7 . 1 1 111 111 VAL C C 111 174.421 174.421 173.953 0.468 18480 5127 1 7 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.163 0.598 18480 5128 1 7 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.573 0.937 18480 5129 1 7 . 1 1 111 111 VAL H H 111 7.724 7.724 7.545 0.179 18480 5130 1 7 . 1 1 112 112 VAL N N 112 124.398 124.398 124.334 0.064 18480 5131 1 7 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.046 -0.813 18480 5132 1 7 . 1 1 112 112 VAL C C 112 174.646 174.646 174.782 -0.136 18480 5133 1 7 . 1 1 112 112 VAL CA C 112 63.735 63.735 61.286 2.449 18480 5134 1 7 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.159 -0.353 18480 5135 1 7 . 1 1 112 112 VAL H H 112 8.627 8.627 8.456 0.171 18480 5136 1 7 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.666 -0.097 18480 5137 1 7 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.688 -1.481 18480 5138 1 7 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.477 -0.096 18480 5139 1 7 . 1 1 114 114 GLN N N 114 125.364 125.364 125.831 -0.467 18480 5140 1 7 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.094 -0.154 18480 5141 1 7 . 1 1 114 114 GLN C C 114 174.811 174.811 175.245 -0.434 18480 5142 1 7 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.046 -1.410 18480 5143 1 7 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.418 -0.326 18480 5144 1 7 . 1 1 114 114 GLN H H 114 8.731 8.731 8.718 0.013 18480 5145 1 7 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.263 0.005 18480 5146 1 7 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.515 1.146 18480 5147 1 7 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.221 -0.024 18480 5148 1 7 . 1 1 116 116 PHE N N 116 118.102 118.102 117.859 0.243 18480 5149 1 7 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.374 -0.113 18480 5150 1 7 . 1 1 116 116 PHE C C 116 176.597 176.597 176.978 -0.381 18480 5151 1 7 . 1 1 116 116 PHE CA C 116 61.290 61.290 60.806 0.484 18480 5152 1 7 . 1 1 116 116 PHE CB C 116 39.580 39.580 40.177 -0.597 18480 5153 1 7 . 1 1 116 116 PHE H H 116 7.712 7.712 7.366 0.346 18480 5154 1 7 . 1 1 117 117 ILE N N 117 118.950 118.950 119.488 -0.538 18480 5155 1 7 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.743 -0.088 18480 5156 1 7 . 1 1 117 117 ILE C C 117 178.789 178.789 178.135 0.654 18480 5157 1 7 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.839 0.801 18480 5158 1 7 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.770 -0.256 18480 5159 1 7 . 1 1 117 117 ILE H H 117 7.747 7.747 8.004 -0.257 18480 5160 1 7 . 1 1 118 118 ASN N N 118 119.204 119.204 116.724 2.480 18480 5161 1 7 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.517 -0.150 18480 5162 1 7 . 1 1 118 118 ASN C C 118 177.033 177.033 177.401 -0.368 18480 5163 1 7 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.703 0.078 18480 5164 1 7 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.082 -0.597 18480 5165 1 7 . 1 1 118 118 ASN H H 118 8.847 8.847 8.359 0.488 18480 5166 1 7 . 1 1 119 119 GLU N N 119 120.684 120.684 118.028 2.656 18480 5167 1 7 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.270 -0.305 18480 5168 1 7 . 1 1 119 119 GLU C C 119 178.564 178.564 177.730 0.834 18480 5169 1 7 . 1 1 119 119 GLU CA C 119 59.114 59.114 57.020 2.094 18480 5170 1 7 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.451 -0.933 18480 5171 1 7 . 1 1 119 119 GLU H H 119 8.081 8.081 7.466 0.615 18480 5172 1 7 . 1 1 120 120 ILE N N 120 118.037 118.037 119.992 -1.955 18480 5173 1 7 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.754 -0.182 18480 5174 1 7 . 1 1 120 120 ILE C C 120 178.279 178.279 177.855 0.424 18480 5175 1 7 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.521 -0.423 18480 5176 1 7 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.564 -1.312 18480 5177 1 7 . 1 1 120 120 ILE H H 120 7.948 7.948 7.328 0.620 18480 5178 1 7 . 1 1 121 121 THR N N 121 113.671 113.671 111.699 1.972 18480 5179 1 7 . 1 1 121 121 THR HA H 121 3.804 3.804 3.983 -0.179 18480 5180 1 7 . 1 1 121 121 THR C C 121 177.258 177.258 176.683 0.575 18480 5181 1 7 . 1 1 121 121 THR CA C 121 66.771 66.771 65.850 0.921 18480 5182 1 7 . 1 1 121 121 THR CB C 121 68.293 68.293 68.448 -0.155 18480 5183 1 7 . 1 1 121 121 THR H H 121 8.345 8.345 7.629 0.716 18480 5184 1 7 . 1 1 122 122 GLN N N 122 121.849 121.849 120.541 1.308 18480 5185 1 7 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.087 -0.088 18480 5186 1 7 . 1 1 122 122 GLN C C 122 179.014 179.014 178.322 0.692 18480 5187 1 7 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.492 0.274 18480 5188 1 7 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.276 0.156 18480 5189 1 7 . 1 1 122 122 GLN H H 122 7.589 7.589 7.519 0.070 18480 5190 1 7 . 1 1 123 123 LEU N N 123 120.855 120.855 120.123 0.732 18480 5191 1 7 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.751 -0.333 18480 5192 1 7 . 1 1 123 123 LEU C C 123 178.354 178.354 178.713 -0.359 18480 5193 1 7 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.790 0.026 18480 5194 1 7 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.530 -0.679 18480 5195 1 7 . 1 1 123 123 LEU H H 123 8.081 8.081 7.187 0.894 18480 5196 1 7 . 1 1 124 124 VAL N N 124 115.864 115.864 117.907 -2.043 18480 5197 1 7 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.814 -0.464 18480 5198 1 7 . 1 1 124 124 VAL C C 124 177.453 177.453 178.557 -1.104 18480 5199 1 7 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.252 1.221 18480 5200 1 7 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.342 0.264 18480 5201 1 7 . 1 1 124 124 VAL H H 124 7.574 7.574 7.709 -0.135 18480 5202 1 7 . 1 1 125 125 SER N N 125 110.334 110.334 114.552 -4.218 18480 5203 1 7 . 1 1 125 125 SER HA H 125 4.054 4.054 4.244 -0.190 18480 5204 1 7 . 1 1 125 125 SER C C 125 175.937 175.937 176.344 -0.407 18480 5205 1 7 . 1 1 125 125 SER CA C 125 61.763 61.763 60.973 0.790 18480 5206 1 7 . 1 1 125 125 SER CB C 125 62.864 62.864 63.131 -0.267 18480 5207 1 7 . 1 1 125 125 SER H H 125 6.950 6.950 7.584 -0.634 18480 5208 1 7 . 1 1 126 126 MET N N 126 121.750 121.750 119.270 2.480 18480 5209 1 7 . 1 1 126 126 MET HA H 126 3.951 3.951 4.163 -0.212 18480 5210 1 7 . 1 1 126 126 MET C C 126 179.254 179.254 178.324 0.930 18480 5211 1 7 . 1 1 126 126 MET CA C 126 59.246 59.246 58.704 0.542 18480 5212 1 7 . 1 1 126 126 MET CB C 126 33.265 33.265 32.132 1.133 18480 5213 1 7 . 1 1 126 126 MET H H 126 8.113 8.113 7.962 0.151 18480 5214 1 7 . 1 1 127 127 PHE N N 127 118.909 118.909 117.621 1.288 18480 5215 1 7 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.346 0.297 18480 5216 1 7 . 1 1 127 127 PHE C C 127 178.128 178.128 176.983 1.145 18480 5217 1 7 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.502 -2.743 18480 5218 1 7 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.440 -0.379 18480 5219 1 7 . 1 1 127 127 PHE H H 127 8.791 8.791 7.799 0.992 18480 5220 1 7 . 1 1 128 128 ALA N N 128 122.620 122.620 121.956 0.664 18480 5221 1 7 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.265 -0.089 18480 5222 1 7 . 1 1 128 128 ALA C C 128 178.789 178.789 178.864 -0.075 18480 5223 1 7 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.415 0.250 18480 5224 1 7 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.592 0.573 18480 5225 1 7 . 1 1 128 128 ALA H H 128 8.235 8.235 7.433 0.802 18480 5226 1 7 . 1 1 129 129 GLN N N 129 116.507 116.507 117.047 -0.540 18480 5227 1 7 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.238 -0.013 18480 5228 1 7 . 1 1 129 129 GLN C C 129 177.258 177.258 177.476 -0.218 18480 5229 1 7 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.388 -0.369 18480 5230 1 7 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.677 0.448 18480 5231 1 7 . 1 1 129 129 GLN H H 129 7.715 7.715 7.697 0.018 18480 5232 1 7 . 1 1 130 130 ALA N N 130 122.020 122.020 121.345 0.675 18480 5233 1 7 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.250 -0.030 18480 5234 1 7 . 1 1 130 130 ALA C C 130 178.564 178.564 178.727 -0.163 18480 5235 1 7 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.171 0.635 18480 5236 1 7 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.274 -0.314 18480 5237 1 7 . 1 1 130 130 ALA H H 130 7.775 7.775 7.460 0.315 18480 5238 1 7 . 1 1 131 131 GLY N N 131 106.006 106.006 106.795 -0.789 18480 5239 1 7 . 1 1 131 131 GLY C C 131 173.970 173.970 175.132 -1.162 18480 5240 1 7 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.274 -0.161 18480 5241 1 7 . 1 1 131 131 GLY H H 131 8.110 8.110 8.088 0.022 18480 5242 1 7 . 1 1 132 132 MET N N 132 118.637 118.637 115.593 3.044 18480 5243 1 7 . 1 1 132 132 MET HA H 132 4.401 4.401 4.452 -0.051 18480 5244 1 7 . 1 1 132 132 MET C C 132 175.952 175.952 175.997 -0.045 18480 5245 1 7 . 1 1 132 132 MET CA C 132 56.375 56.375 55.557 0.818 18480 5246 1 7 . 1 1 132 132 MET CB C 132 32.939 32.939 30.735 2.204 18480 5247 1 7 . 1 1 132 132 MET H H 132 7.945 7.945 8.382 -0.437 18480 5248 1 7 . 1 1 133 133 ASN N N 133 117.955 117.955 115.831 2.124 18480 5249 1 7 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.627 0.144 18480 5250 1 7 . 1 1 133 133 ASN C C 133 174.646 174.646 175.716 -1.070 18480 5251 1 7 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.794 -0.306 18480 5252 1 7 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.099 1.278 18480 5253 1 7 . 1 1 133 133 ASN H H 133 8.283 8.283 7.795 0.488 18480 5254 1 7 . 1 1 134 134 ASP N N 134 120.891 120.891 121.779 -0.888 18480 5255 1 7 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.604 0.015 18480 5256 1 7 . 1 1 134 134 ASP C C 134 176.162 176.162 176.732 -0.570 18480 5257 1 7 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.870 -1.469 18480 5258 1 7 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.727 -0.554 18480 5259 1 7 . 1 1 134 134 ASP H H 134 8.192 8.192 7.531 0.661 18480 5260 1 7 . 1 1 135 135 VAL N N 135 119.737 119.737 116.801 2.936 18480 5261 1 7 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.652 0.528 18480 5262 1 7 . 1 1 135 135 VAL C C 135 176.162 176.162 175.487 0.675 18480 5263 1 7 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.891 -1.745 18480 5264 1 7 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.373 3.357 18480 5265 1 7 . 1 1 135 135 VAL H H 135 8.056 8.056 8.396 -0.340 18480 5266 1 7 . 1 1 136 136 SER N N 136 119.689 119.689 109.785 9.904 18480 5267 1 7 . 1 1 136 136 SER HA H 136 4.427 4.427 4.043 0.384 18480 5268 1 7 . 1 1 136 136 SER C C 136 173.325 173.325 174.068 -0.743 18480 5269 1 7 . 1 1 136 136 SER CA C 136 58.351 58.351 59.428 -1.077 18480 5270 1 7 . 1 1 136 136 SER CB C 136 64.031 64.031 61.761 2.271 18480 5271 1 7 . 1 1 136 136 SER H H 136 8.355 8.355 8.969 -0.614 18480 5272 1 8 . 1 1 3 3 GLY N N 3 110.996 110.996 111.494 -0.498 18480 5273 1 8 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.937 0.540 18480 5274 1 8 . 1 1 3 3 GLY H H 3 8.591 8.591 8.738 -0.147 18480 5275 1 8 . 1 1 4 4 ASN N N 4 118.637 118.637 119.032 -0.395 18480 5276 1 8 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.630 0.098 18480 5277 1 8 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.718 0.452 18480 5278 1 8 . 1 1 4 4 ASN CB C 4 39.064 39.064 36.768 2.296 18480 5279 1 8 . 1 1 4 4 ASN H H 4 8.318 8.318 8.297 0.021 18480 5280 1 8 . 1 1 5 5 SER N N 5 116.285 116.285 115.591 0.694 18480 5281 1 8 . 1 1 5 5 SER HA H 5 4.352 4.352 4.333 0.019 18480 5282 1 8 . 1 1 5 5 SER CA C 5 58.593 58.593 57.507 1.086 18480 5283 1 8 . 1 1 5 5 SER CB C 5 63.633 63.633 64.080 -0.447 18480 5284 1 8 . 1 1 5 5 SER H H 5 8.280 8.280 7.925 0.355 18480 5285 1 8 . 1 1 6 6 HIS N N 6 119.777 119.777 124.898 -5.121 18480 5286 1 8 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.460 0.278 18480 5287 1 8 . 1 1 6 6 HIS CA C 6 55.344 55.344 57.344 -2.000 18480 5288 1 8 . 1 1 6 6 HIS CB C 6 29.328 29.328 29.968 -0.640 18480 5289 1 8 . 1 1 6 6 HIS H H 6 8.460 8.460 8.445 0.015 18480 5290 1 8 . 1 1 7 7 THR N N 7 115.111 115.111 111.096 4.015 18480 5291 1 8 . 1 1 7 7 THR HA H 7 4.217 4.217 3.950 0.267 18480 5292 1 8 . 1 1 7 7 THR C C 7 173.970 173.970 173.525 0.445 18480 5293 1 8 . 1 1 7 7 THR CA C 7 62.118 62.118 63.277 -1.159 18480 5294 1 8 . 1 1 7 7 THR CB C 7 69.871 69.871 68.024 1.847 18480 5295 1 8 . 1 1 7 7 THR H H 7 8.202 8.202 8.225 -0.023 18480 5296 1 8 . 1 1 8 8 THR N N 8 113.695 113.695 111.352 2.343 18480 5297 1 8 . 1 1 8 8 THR HA H 8 4.439 4.439 4.248 0.191 18480 5298 1 8 . 1 1 8 8 THR C C 8 172.664 172.664 173.859 -1.195 18480 5299 1 8 . 1 1 8 8 THR CA C 8 58.847 58.847 60.184 -1.337 18480 5300 1 8 . 1 1 8 8 THR CB C 8 62.183 62.183 67.709 -5.526 18480 5301 1 8 . 1 1 8 8 THR H H 8 8.113 8.113 7.599 0.514 18480 5302 1 8 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.191 -0.226 18480 5303 1 8 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.900 -1.464 18480 5304 1 8 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.581 -0.410 18480 5305 1 8 . 1 1 10 10 TRP N N 10 108.872 108.872 110.092 -1.220 18480 5306 1 8 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.879 -0.290 18480 5307 1 8 . 1 1 10 10 TRP C C 10 175.817 175.817 175.915 -0.098 18480 5308 1 8 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.142 1.030 18480 5309 1 8 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.651 -0.676 18480 5310 1 8 . 1 1 10 10 TRP H H 10 6.511 6.511 6.764 -0.253 18480 5311 1 8 . 1 1 11 11 THR N N 11 113.736 113.736 116.439 -2.703 18480 5312 1 8 . 1 1 11 11 THR HA H 11 3.899 3.899 4.178 -0.279 18480 5313 1 8 . 1 1 11 11 THR C C 11 173.970 173.970 173.645 0.325 18480 5314 1 8 . 1 1 11 11 THR CA C 11 65.731 65.731 64.718 1.013 18480 5315 1 8 . 1 1 11 11 THR CB C 11 69.609 69.609 69.071 0.538 18480 5316 1 8 . 1 1 11 11 THR H H 11 7.310 7.310 7.763 -0.453 18480 5317 1 8 . 1 1 12 12 ASN N N 12 112.814 112.814 115.651 -2.837 18480 5318 1 8 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.119 -0.447 18480 5319 1 8 . 1 1 12 12 ASN C C 12 172.889 172.889 173.168 -0.279 18480 5320 1 8 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.328 0.800 18480 5321 1 8 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.955 -0.256 18480 5322 1 8 . 1 1 12 12 ASN H H 12 7.234 7.234 7.334 -0.100 18480 5323 1 8 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.243 -0.161 18480 5324 1 8 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.081 -0.438 18480 5325 1 8 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.932 0.121 18480 5326 1 8 . 1 1 14 14 GLY N N 14 107.424 107.424 105.339 2.085 18480 5327 1 8 . 1 1 14 14 GLY C C 14 175.952 175.952 176.063 -0.111 18480 5328 1 8 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.957 0.233 18480 5329 1 8 . 1 1 14 14 GLY H H 14 8.288 8.288 8.109 0.179 18480 5330 1 8 . 1 1 15 15 LEU N N 15 122.906 122.906 121.531 1.375 18480 5331 1 8 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.254 -0.224 18480 5332 1 8 . 1 1 15 15 LEU C C 15 178.564 178.564 178.228 0.336 18480 5333 1 8 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.115 1.761 18480 5334 1 8 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.950 0.366 18480 5335 1 8 . 1 1 15 15 LEU H H 15 7.956 7.956 7.759 0.197 18480 5336 1 8 . 1 1 16 16 ALA N N 16 122.949 122.949 123.112 -0.163 18480 5337 1 8 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.035 0.070 18480 5338 1 8 . 1 1 16 16 ALA C C 16 179.104 179.104 179.525 -0.421 18480 5339 1 8 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.462 0.519 18480 5340 1 8 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.446 0.689 18480 5341 1 8 . 1 1 16 16 ALA H H 16 7.598 7.598 7.840 -0.242 18480 5342 1 8 . 1 1 17 17 GLU N N 17 116.632 116.632 116.599 0.033 18480 5343 1 8 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.926 -0.106 18480 5344 1 8 . 1 1 17 17 GLU C C 17 177.993 177.993 178.293 -0.300 18480 5345 1 8 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.755 0.294 18480 5346 1 8 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.258 -0.537 18480 5347 1 8 . 1 1 17 17 GLU H H 17 8.097 8.097 8.479 -0.382 18480 5348 1 8 . 1 1 18 18 ASN N N 18 117.645 117.645 119.154 -1.509 18480 5349 1 8 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.435 -0.008 18480 5350 1 8 . 1 1 18 18 ASN C C 18 178.347 178.347 177.168 1.179 18480 5351 1 8 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.150 -0.056 18480 5352 1 8 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.559 -0.435 18480 5353 1 8 . 1 1 18 18 ASN H H 18 8.196 8.196 7.390 0.806 18480 5354 1 8 . 1 1 19 19 PHE N N 19 123.188 123.188 121.334 1.854 18480 5355 1 8 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.077 -0.126 18480 5356 1 8 . 1 1 19 19 PHE C C 19 176.837 176.837 177.222 -0.385 18480 5357 1 8 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.102 -0.205 18480 5358 1 8 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.974 0.755 18480 5359 1 8 . 1 1 19 19 PHE H H 19 8.868 8.868 8.468 0.400 18480 5360 1 8 . 1 1 20 20 MET N N 20 118.140 118.140 115.705 2.435 18480 5361 1 8 . 1 1 20 20 MET HA H 20 3.303 3.303 3.639 -0.336 18480 5362 1 8 . 1 1 20 20 MET C C 20 178.924 178.924 178.181 0.743 18480 5363 1 8 . 1 1 20 20 MET CA C 20 60.043 60.043 58.043 2.000 18480 5364 1 8 . 1 1 20 20 MET CB C 20 33.527 33.527 30.665 2.862 18480 5365 1 8 . 1 1 20 20 MET H H 20 7.644 7.644 7.758 -0.114 18480 5366 1 8 . 1 1 21 21 ASN N N 21 116.213 116.213 118.517 -2.304 18480 5367 1 8 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.411 0.042 18480 5368 1 8 . 1 1 21 21 ASN C C 21 178.249 178.249 177.787 0.462 18480 5369 1 8 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.730 -0.780 18480 5370 1 8 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.056 0.041 18480 5371 1 8 . 1 1 21 21 ASN H H 21 8.169 8.169 7.709 0.460 18480 5372 1 8 . 1 1 22 22 SER N N 22 117.086 117.086 116.576 0.510 18480 5373 1 8 . 1 1 22 22 SER HA H 22 4.152 4.152 4.211 -0.059 18480 5374 1 8 . 1 1 22 22 SER C C 22 178.143 178.143 176.495 1.648 18480 5375 1 8 . 1 1 22 22 SER CA C 22 62.154 62.154 61.575 0.579 18480 5376 1 8 . 1 1 22 22 SER CB C 22 62.709 62.709 62.861 -0.152 18480 5377 1 8 . 1 1 22 22 SER H H 22 8.650 8.650 8.517 0.133 18480 5378 1 8 . 1 1 23 23 PHE N N 23 124.044 124.044 124.430 -0.386 18480 5379 1 8 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.192 -0.324 18480 5380 1 8 . 1 1 23 23 PHE C C 23 175.652 175.652 176.956 -1.304 18480 5381 1 8 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.947 1.171 18480 5382 1 8 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.167 -0.917 18480 5383 1 8 . 1 1 23 23 PHE H H 23 8.394 8.394 8.210 0.184 18480 5384 1 8 . 1 1 24 24 MET N N 24 117.794 117.794 117.510 0.284 18480 5385 1 8 . 1 1 24 24 MET HA H 24 4.177 4.177 3.811 0.366 18480 5386 1 8 . 1 1 24 24 MET C C 24 179.797 179.797 178.799 0.998 18480 5387 1 8 . 1 1 24 24 MET CA C 24 56.498 56.498 57.294 -0.796 18480 5388 1 8 . 1 1 24 24 MET CB C 24 31.903 31.903 31.077 0.826 18480 5389 1 8 . 1 1 24 24 MET H H 24 7.781 7.781 8.031 -0.250 18480 5390 1 8 . 1 1 25 25 GLN N N 25 119.477 119.477 118.207 1.270 18480 5391 1 8 . 1 1 25 25 GLN HA H 25 3.964 3.964 3.933 0.031 18480 5392 1 8 . 1 1 25 25 GLN C C 25 179.870 179.870 178.411 1.459 18480 5393 1 8 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.653 0.095 18480 5394 1 8 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.494 -0.110 18480 5395 1 8 . 1 1 25 25 GLN H H 25 8.233 8.233 8.008 0.225 18480 5396 1 8 . 1 1 26 26 GLY N N 26 107.052 107.052 106.877 0.175 18480 5397 1 8 . 1 1 26 26 GLY C C 26 176.387 176.387 176.336 0.051 18480 5398 1 8 . 1 1 26 26 GLY CA C 26 46.673 46.673 46.061 0.612 18480 5399 1 8 . 1 1 26 26 GLY H H 26 7.936 7.936 7.457 0.479 18480 5400 1 8 . 1 1 27 27 LEU N N 27 122.471 122.471 123.127 -0.656 18480 5401 1 8 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.782 -0.064 18480 5402 1 8 . 1 1 27 27 LEU C C 27 178.564 178.564 178.484 0.080 18480 5403 1 8 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.521 0.672 18480 5404 1 8 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.196 0.497 18480 5405 1 8 . 1 1 27 27 LEU H H 27 8.157 8.157 8.234 -0.077 18480 5406 1 8 . 1 1 28 28 SER N N 28 109.215 109.215 113.809 -4.594 18480 5407 1 8 . 1 1 28 28 SER HA H 28 4.064 4.064 4.128 -0.064 18480 5408 1 8 . 1 1 28 28 SER C C 28 174.421 174.421 175.387 -0.966 18480 5409 1 8 . 1 1 28 28 SER CA C 28 61.444 61.444 60.492 0.952 18480 5410 1 8 . 1 1 28 28 SER CB C 28 63.210 63.210 63.051 0.159 18480 5411 1 8 . 1 1 28 28 SER H H 28 7.469 7.469 7.866 -0.397 18480 5412 1 8 . 1 1 29 29 SER N N 29 114.308 114.308 115.197 -0.889 18480 5413 1 8 . 1 1 29 29 SER HA H 29 4.667 4.667 4.566 0.101 18480 5414 1 8 . 1 1 29 29 SER C C 29 173.970 173.970 174.010 -0.040 18480 5415 1 8 . 1 1 29 29 SER CA C 29 57.914 57.914 58.508 -0.594 18480 5416 1 8 . 1 1 29 29 SER CB C 29 64.359 64.359 63.416 0.943 18480 5417 1 8 . 1 1 29 29 SER H H 29 7.383 7.383 7.582 -0.199 18480 5418 1 8 . 1 1 30 30 MET N N 30 122.604 122.604 122.111 0.493 18480 5419 1 8 . 1 1 30 30 MET HA H 30 4.882 4.882 4.885 -0.003 18480 5420 1 8 . 1 1 30 30 MET C C 30 174.195 174.195 175.622 -1.427 18480 5421 1 8 . 1 1 30 30 MET CA C 30 53.753 53.753 51.646 2.107 18480 5422 1 8 . 1 1 30 30 MET CB C 30 32.013 32.013 32.325 -0.312 18480 5423 1 8 . 1 1 30 30 MET H H 30 7.804 7.804 7.583 0.221 18480 5424 1 8 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.552 0.114 18480 5425 1 8 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.345 -0.648 18480 5426 1 8 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.249 0.704 18480 5427 1 8 . 1 1 32 32 GLY N N 32 104.648 104.648 106.531 -1.883 18480 5428 1 8 . 1 1 32 32 GLY C C 32 172.454 172.454 174.183 -1.729 18480 5429 1 8 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.821 -0.400 18480 5430 1 8 . 1 1 32 32 GLY H H 32 8.363 8.363 7.944 0.419 18480 5431 1 8 . 1 1 33 33 PHE N N 33 116.917 116.917 119.236 -2.319 18480 5432 1 8 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.944 0.343 18480 5433 1 8 . 1 1 33 33 PHE C C 33 176.387 176.387 176.150 0.237 18480 5434 1 8 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.913 -0.011 18480 5435 1 8 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.537 0.753 18480 5436 1 8 . 1 1 33 33 PHE H H 33 8.118 8.118 7.649 0.469 18480 5437 1 8 . 1 1 34 34 THR N N 34 113.457 113.457 113.286 0.171 18480 5438 1 8 . 1 1 34 34 THR HA H 34 4.494 4.494 4.702 -0.208 18480 5439 1 8 . 1 1 34 34 THR C C 34 175.066 175.066 174.851 0.215 18480 5440 1 8 . 1 1 34 34 THR CA C 34 59.946 59.946 59.980 -0.034 18480 5441 1 8 . 1 1 34 34 THR CB C 34 70.967 70.967 71.301 -0.334 18480 5442 1 8 . 1 1 34 34 THR H H 34 8.727 8.727 8.465 0.262 18480 5443 1 8 . 1 1 35 35 ALA N N 35 122.737 122.737 124.241 -1.504 18480 5444 1 8 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.130 -0.045 18480 5445 1 8 . 1 1 35 35 ALA C C 35 180.755 180.755 179.612 1.143 18480 5446 1 8 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.880 0.643 18480 5447 1 8 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.319 -0.249 18480 5448 1 8 . 1 1 35 35 ALA H H 35 8.913 8.913 8.703 0.210 18480 5449 1 8 . 1 1 36 36 SER N N 36 113.331 113.331 113.669 -0.338 18480 5450 1 8 . 1 1 36 36 SER HA H 36 4.244 4.244 4.284 -0.040 18480 5451 1 8 . 1 1 36 36 SER C C 36 177.033 177.033 176.812 0.221 18480 5452 1 8 . 1 1 36 36 SER CA C 36 61.453 61.453 61.197 0.256 18480 5453 1 8 . 1 1 36 36 SER CB C 36 62.529 62.529 62.582 -0.053 18480 5454 1 8 . 1 1 36 36 SER H H 36 8.347 8.347 8.164 0.183 18480 5455 1 8 . 1 1 37 37 GLN N N 37 122.548 122.548 121.202 1.346 18480 5456 1 8 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.110 -0.051 18480 5457 1 8 . 1 1 37 37 GLN C C 37 179.149 179.149 178.229 0.920 18480 5458 1 8 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.666 0.301 18480 5459 1 8 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.760 -0.739 18480 5460 1 8 . 1 1 37 37 GLN H H 37 7.500 7.500 7.490 0.010 18480 5461 1 8 . 1 1 38 38 LEU N N 38 117.948 117.948 118.413 -0.465 18480 5462 1 8 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.132 -0.240 18480 5463 1 8 . 1 1 38 38 LEU C C 38 179.675 179.675 178.800 0.875 18480 5464 1 8 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.338 0.621 18480 5465 1 8 . 1 1 38 38 LEU CB C 38 41.493 41.493 40.980 0.513 18480 5466 1 8 . 1 1 38 38 LEU H H 38 8.217 8.217 7.775 0.442 18480 5467 1 8 . 1 1 39 39 ASP N N 39 120.923 120.923 118.667 2.256 18480 5468 1 8 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.419 -0.008 18480 5469 1 8 . 1 1 39 39 ASP C C 39 179.224 179.224 178.021 1.203 18480 5470 1 8 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.547 0.059 18480 5471 1 8 . 1 1 39 39 ASP CB C 39 41.828 41.828 41.168 0.660 18480 5472 1 8 . 1 1 39 39 ASP H H 39 8.192 8.192 7.699 0.493 18480 5473 1 8 . 1 1 40 40 ASP N N 40 123.608 123.608 119.708 3.900 18480 5474 1 8 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.513 -0.296 18480 5475 1 8 . 1 1 40 40 ASP C C 40 179.600 179.600 178.248 1.352 18480 5476 1 8 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.403 2.237 18480 5477 1 8 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.502 -2.190 18480 5478 1 8 . 1 1 40 40 ASP H H 40 8.366 8.366 7.725 0.641 18480 5479 1 8 . 1 1 41 41 MET N N 41 118.772 118.772 116.273 2.499 18480 5480 1 8 . 1 1 41 41 MET HA H 41 3.638 3.638 4.357 -0.719 18480 5481 1 8 . 1 1 41 41 MET C C 41 177.693 177.693 177.915 -0.222 18480 5482 1 8 . 1 1 41 41 MET CA C 41 60.513 60.513 58.404 2.110 18480 5483 1 8 . 1 1 41 41 MET CB C 41 34.320 34.320 32.096 2.224 18480 5484 1 8 . 1 1 41 41 MET H H 41 8.423 8.423 7.826 0.597 18480 5485 1 8 . 1 1 42 42 SER N N 42 115.040 115.040 115.853 -0.813 18480 5486 1 8 . 1 1 42 42 SER HA H 42 4.168 4.168 4.282 -0.114 18480 5487 1 8 . 1 1 42 42 SER C C 42 177.483 177.483 176.258 1.225 18480 5488 1 8 . 1 1 42 42 SER CA C 42 61.923 61.923 61.276 0.647 18480 5489 1 8 . 1 1 42 42 SER CB C 42 63.084 63.084 63.037 0.047 18480 5490 1 8 . 1 1 42 42 SER H H 42 8.901 8.901 7.986 0.915 18480 5491 1 8 . 1 1 43 43 THR N N 43 118.747 118.747 118.452 0.295 18480 5492 1 8 . 1 1 43 43 THR HA H 43 3.914 3.914 4.047 -0.133 18480 5493 1 8 . 1 1 43 43 THR C C 43 177.258 177.258 176.270 0.988 18480 5494 1 8 . 1 1 43 43 THR CA C 43 67.017 67.017 66.886 0.131 18480 5495 1 8 . 1 1 43 43 THR CB C 43 69.500 69.500 68.700 0.800 18480 5496 1 8 . 1 1 43 43 THR H H 43 8.479 8.479 7.573 0.906 18480 5497 1 8 . 1 1 44 44 ILE N N 44 121.898 121.898 121.303 0.595 18480 5498 1 8 . 1 1 44 44 ILE HA H 44 3.703 3.703 4.090 -0.387 18480 5499 1 8 . 1 1 44 44 ILE C C 44 178.564 178.564 177.906 0.658 18480 5500 1 8 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.294 -0.230 18480 5501 1 8 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.763 -1.554 18480 5502 1 8 . 1 1 44 44 ILE H H 44 7.807 7.807 7.295 0.512 18480 5503 1 8 . 1 1 45 45 ALA N N 45 124.002 124.002 122.461 1.541 18480 5504 1 8 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.984 0.058 18480 5505 1 8 . 1 1 45 45 ALA C C 45 179.404 179.404 179.360 0.044 18480 5506 1 8 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.578 0.963 18480 5507 1 8 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.372 0.086 18480 5508 1 8 . 1 1 45 45 ALA H H 45 9.145 9.145 7.987 1.158 18480 5509 1 8 . 1 1 46 46 GLN N N 46 115.753 115.753 114.690 1.063 18480 5510 1 8 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.142 -0.119 18480 5511 1 8 . 1 1 46 46 GLN C C 46 179.014 179.014 177.555 1.459 18480 5512 1 8 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.674 1.279 18480 5513 1 8 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.698 -0.298 18480 5514 1 8 . 1 1 46 46 GLN H H 46 8.459 8.459 8.102 0.357 18480 5515 1 8 . 1 1 47 47 SER N N 47 116.041 116.041 116.210 -0.169 18480 5516 1 8 . 1 1 47 47 SER HA H 47 4.258 4.258 4.378 -0.120 18480 5517 1 8 . 1 1 47 47 SER C C 47 177.483 177.483 176.343 1.140 18480 5518 1 8 . 1 1 47 47 SER CA C 47 62.328 62.328 60.835 1.493 18480 5519 1 8 . 1 1 47 47 SER CB C 47 63.154 63.154 63.379 -0.225 18480 5520 1 8 . 1 1 47 47 SER H H 47 7.961 7.961 7.334 0.627 18480 5521 1 8 . 1 1 48 48 MET N N 48 122.349 122.349 122.031 0.318 18480 5522 1 8 . 1 1 48 48 MET HA H 48 4.376 4.376 4.327 0.049 18480 5523 1 8 . 1 1 48 48 MET C C 48 177.798 177.798 178.177 -0.379 18480 5524 1 8 . 1 1 48 48 MET CA C 48 58.198 58.198 57.723 0.475 18480 5525 1 8 . 1 1 48 48 MET CB C 48 32.102 32.102 31.727 0.375 18480 5526 1 8 . 1 1 48 48 MET H H 48 8.508 8.508 8.502 0.006 18480 5527 1 8 . 1 1 49 49 VAL N N 49 122.061 122.061 115.161 6.900 18480 5528 1 8 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.660 -0.218 18480 5529 1 8 . 1 1 49 49 VAL C C 49 177.910 177.910 177.743 0.167 18480 5530 1 8 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.195 1.728 18480 5531 1 8 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.230 1.529 18480 5532 1 8 . 1 1 49 49 VAL H H 49 8.541 8.541 7.470 1.071 18480 5533 1 8 . 1 1 50 50 GLN N N 50 118.465 118.465 120.631 -2.166 18480 5534 1 8 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.026 0.031 18480 5535 1 8 . 1 1 50 50 GLN C C 50 179.449 179.449 178.598 0.851 18480 5536 1 8 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.059 -0.035 18480 5537 1 8 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.313 -0.306 18480 5538 1 8 . 1 1 50 50 GLN H H 50 8.165 8.165 7.650 0.515 18480 5539 1 8 . 1 1 51 51 SER N N 51 117.659 117.659 117.035 0.624 18480 5540 1 8 . 1 1 51 51 SER HA H 51 3.854 3.854 4.190 -0.336 18480 5541 1 8 . 1 1 51 51 SER C C 51 176.374 176.374 176.690 -0.316 18480 5542 1 8 . 1 1 51 51 SER CA C 51 62.642 62.642 62.658 -0.016 18480 5543 1 8 . 1 1 51 51 SER CB C 51 63.039 63.039 62.772 0.267 18480 5544 1 8 . 1 1 51 51 SER H H 51 8.199 8.199 8.024 0.175 18480 5545 1 8 . 1 1 52 52 ILE N N 52 122.930 122.930 122.252 0.678 18480 5546 1 8 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.610 -0.230 18480 5547 1 8 . 1 1 52 52 ILE C C 52 178.684 178.684 177.814 0.870 18480 5548 1 8 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.233 1.082 18480 5549 1 8 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.611 -0.063 18480 5550 1 8 . 1 1 52 52 ILE H H 52 8.068 8.068 8.030 0.038 18480 5551 1 8 . 1 1 53 53 GLN N N 53 118.774 118.774 119.329 -0.555 18480 5552 1 8 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.908 0.005 18480 5553 1 8 . 1 1 53 53 GLN C C 53 179.014 179.014 178.760 0.254 18480 5554 1 8 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.439 -0.271 18480 5555 1 8 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.608 -0.591 18480 5556 1 8 . 1 1 53 53 GLN H H 53 8.459 8.459 8.101 0.358 18480 5557 1 8 . 1 1 54 54 SER N N 54 115.452 115.452 117.105 -1.653 18480 5558 1 8 . 1 1 54 54 SER HA H 54 4.294 4.294 4.147 0.147 18480 5559 1 8 . 1 1 54 54 SER C C 54 176.822 176.822 176.803 0.019 18480 5560 1 8 . 1 1 54 54 SER CA C 54 61.276 61.276 61.799 -0.523 18480 5561 1 8 . 1 1 54 54 SER CB C 54 62.873 62.873 63.047 -0.174 18480 5562 1 8 . 1 1 54 54 SER H H 54 8.330 8.330 8.420 -0.090 18480 5563 1 8 . 1 1 55 55 LEU N N 55 121.066 121.066 121.686 -0.620 18480 5564 1 8 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.004 -0.023 18480 5565 1 8 . 1 1 55 55 LEU C C 55 179.434 179.434 178.452 0.982 18480 5566 1 8 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.856 0.120 18480 5567 1 8 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.513 1.093 18480 5568 1 8 . 1 1 55 55 LEU H H 55 8.211 8.211 8.110 0.101 18480 5569 1 8 . 1 1 56 56 ALA N N 56 122.497 122.497 122.057 0.440 18480 5570 1 8 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.122 0.027 18480 5571 1 8 . 1 1 56 56 ALA C C 56 180.530 180.530 179.590 0.940 18480 5572 1 8 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.545 0.523 18480 5573 1 8 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.349 -0.387 18480 5574 1 8 . 1 1 56 56 ALA H H 56 8.902 8.902 8.061 0.841 18480 5575 1 8 . 1 1 57 57 ALA N N 57 122.922 122.922 120.305 2.617 18480 5576 1 8 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.089 0.068 18480 5577 1 8 . 1 1 57 57 ALA C C 57 179.344 179.344 179.607 -0.263 18480 5578 1 8 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.299 0.699 18480 5579 1 8 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.597 -0.568 18480 5580 1 8 . 1 1 57 57 ALA H H 57 8.140 8.140 8.128 0.012 18480 5581 1 8 . 1 1 58 58 GLN N N 58 113.359 113.359 115.706 -2.347 18480 5582 1 8 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.322 0.040 18480 5583 1 8 . 1 1 58 58 GLN C C 58 176.612 176.612 176.218 0.394 18480 5584 1 8 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.573 0.025 18480 5585 1 8 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.337 1.738 18480 5586 1 8 . 1 1 58 58 GLN H H 58 7.415 7.415 7.704 -0.289 18480 5587 1 8 . 1 1 59 59 GLY N N 59 109.012 109.012 106.516 2.496 18480 5588 1 8 . 1 1 59 59 GLY C C 59 174.856 174.856 174.911 -0.055 18480 5589 1 8 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.551 1.210 18480 5590 1 8 . 1 1 59 59 GLY H H 59 7.979 7.979 7.388 0.591 18480 5591 1 8 . 1 1 60 60 ARG N N 60 115.906 115.906 118.010 -2.104 18480 5592 1 8 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.504 0.098 18480 5593 1 8 . 1 1 60 60 ARG C C 60 175.847 175.847 175.583 0.264 18480 5594 1 8 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.782 1.026 18480 5595 1 8 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.703 1.703 18480 5596 1 8 . 1 1 60 60 ARG H H 60 8.126 8.126 8.359 -0.233 18480 5597 1 8 . 1 1 61 61 THR N N 61 107.985 107.985 116.251 -8.266 18480 5598 1 8 . 1 1 61 61 THR HA H 61 4.125 4.125 4.289 -0.164 18480 5599 1 8 . 1 1 61 61 THR C C 61 173.654 173.654 174.208 -0.554 18480 5600 1 8 . 1 1 61 61 THR CA C 61 62.194 62.194 62.711 -0.516 18480 5601 1 8 . 1 1 61 61 THR CB C 61 69.512 69.512 68.981 0.531 18480 5602 1 8 . 1 1 61 61 THR H H 61 7.663 7.663 7.674 -0.011 18480 5603 1 8 . 1 1 62 62 SER N N 62 113.733 113.733 120.856 -7.123 18480 5604 1 8 . 1 1 62 62 SER HA H 62 4.973 4.973 4.881 0.092 18480 5605 1 8 . 1 1 62 62 SER C C 62 173.207 173.207 173.489 -0.282 18480 5606 1 8 . 1 1 62 62 SER CA C 62 56.343 56.343 56.157 0.186 18480 5607 1 8 . 1 1 62 62 SER CB C 62 63.992 63.992 65.182 -1.190 18480 5608 1 8 . 1 1 62 62 SER H H 62 7.057 7.057 8.057 -1.000 18480 5609 1 8 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.760 -0.058 18480 5610 1 8 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.558 0.742 18480 5611 1 8 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.125 0.111 18480 5612 1 8 . 1 1 64 64 ASN N N 64 114.886 114.886 118.447 -3.561 18480 5613 1 8 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.348 0.054 18480 5614 1 8 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.736 -0.485 18480 5615 1 8 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.855 0.182 18480 5616 1 8 . 1 1 64 64 ASN H H 64 8.642 8.642 8.475 0.167 18480 5617 1 8 . 1 1 65 65 LYS N N 65 119.774 119.774 121.023 -1.249 18480 5618 1 8 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.001 -0.195 18480 5619 1 8 . 1 1 65 65 LYS C C 65 178.999 178.999 179.113 -0.114 18480 5620 1 8 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.969 1.909 18480 5621 1 8 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.024 1.213 18480 5622 1 8 . 1 1 65 65 LYS H H 65 7.882 7.882 8.008 -0.126 18480 5623 1 8 . 1 1 66 66 LEU N N 66 117.686 117.686 118.430 -0.744 18480 5624 1 8 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.043 -0.021 18480 5625 1 8 . 1 1 66 66 LEU C C 66 178.928 178.928 179.029 -0.101 18480 5626 1 8 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.576 0.341 18480 5627 1 8 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.787 -0.254 18480 5628 1 8 . 1 1 66 66 LEU H H 66 8.666 8.666 8.183 0.483 18480 5629 1 8 . 1 1 67 67 GLN N N 67 124.469 124.469 119.080 5.389 18480 5630 1 8 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.490 -0.198 18480 5631 1 8 . 1 1 67 67 GLN C C 67 178.789 178.789 177.376 1.413 18480 5632 1 8 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.219 1.672 18480 5633 1 8 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.519 -0.360 18480 5634 1 8 . 1 1 67 67 GLN H H 67 8.997 8.997 7.911 1.086 18480 5635 1 8 . 1 1 68 68 ALA N N 68 121.986 121.986 120.558 1.428 18480 5636 1 8 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.113 -0.303 18480 5637 1 8 . 1 1 68 68 ALA C C 68 180.320 180.320 178.494 1.826 18480 5638 1 8 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.105 1.398 18480 5639 1 8 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.422 -0.210 18480 5640 1 8 . 1 1 68 68 ALA H H 68 7.427 7.427 8.188 -0.761 18480 5641 1 8 . 1 1 69 69 LEU N N 69 118.881 118.881 116.181 2.700 18480 5642 1 8 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.443 -0.391 18480 5643 1 8 . 1 1 69 69 LEU C C 69 178.864 178.864 177.268 1.596 18480 5644 1 8 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.561 3.186 18480 5645 1 8 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.992 -0.098 18480 5646 1 8 . 1 1 69 69 LEU H H 69 8.143 8.143 7.515 0.628 18480 5647 1 8 . 1 1 70 70 ASN N N 70 119.848 119.848 120.048 -0.200 18480 5648 1 8 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.577 -0.186 18480 5649 1 8 . 1 1 70 70 ASN C C 70 177.483 177.483 176.782 0.701 18480 5650 1 8 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.124 1.659 18480 5651 1 8 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.546 -0.074 18480 5652 1 8 . 1 1 70 70 ASN H H 70 8.456 8.456 7.902 0.554 18480 5653 1 8 . 1 1 71 71 MET N N 71 118.843 118.843 118.831 0.012 18480 5654 1 8 . 1 1 71 71 MET HA H 71 4.769 4.769 4.396 0.373 18480 5655 1 8 . 1 1 71 71 MET C C 71 178.279 178.279 177.418 0.861 18480 5656 1 8 . 1 1 71 71 MET CA C 71 56.415 56.415 58.601 -2.186 18480 5657 1 8 . 1 1 71 71 MET CB C 71 29.788 29.788 32.623 -2.835 18480 5658 1 8 . 1 1 71 71 MET H H 71 7.757 7.757 7.719 0.038 18480 5659 1 8 . 1 1 72 72 ALA N N 72 126.265 126.265 122.765 3.500 18480 5660 1 8 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.042 0.200 18480 5661 1 8 . 1 1 72 72 ALA C C 72 179.059 179.059 179.328 -0.269 18480 5662 1 8 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.249 -0.123 18480 5663 1 8 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.944 0.979 18480 5664 1 8 . 1 1 72 72 ALA H H 72 8.559 8.559 8.279 0.280 18480 5665 1 8 . 1 1 73 73 PHE N N 73 118.887 118.887 119.614 -0.727 18480 5666 1 8 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.130 -0.067 18480 5667 1 8 . 1 1 73 73 PHE C C 73 177.258 177.258 176.612 0.646 18480 5668 1 8 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.603 0.469 18480 5669 1 8 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.080 0.225 18480 5670 1 8 . 1 1 73 73 PHE H H 73 8.337 8.337 7.596 0.741 18480 5671 1 8 . 1 1 74 74 ALA N N 74 122.360 122.360 121.909 0.451 18480 5672 1 8 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.659 -0.428 18480 5673 1 8 . 1 1 74 74 ALA C C 74 179.374 179.374 179.591 -0.217 18480 5674 1 8 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.010 0.806 18480 5675 1 8 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.263 0.618 18480 5676 1 8 . 1 1 74 74 ALA H H 74 8.540 8.540 7.842 0.698 18480 5677 1 8 . 1 1 75 75 SER N N 75 112.265 112.265 113.958 -1.693 18480 5678 1 8 . 1 1 75 75 SER HA H 75 3.858 3.858 4.193 -0.335 18480 5679 1 8 . 1 1 75 75 SER CA C 75 62.251 62.251 62.303 -0.052 18480 5680 1 8 . 1 1 75 75 SER CB C 75 62.874 62.874 63.111 -0.237 18480 5681 1 8 . 1 1 75 75 SER H H 75 8.859 8.859 8.678 0.181 18480 5682 1 8 . 1 1 76 76 SER N N 76 118.859 118.859 118.121 0.738 18480 5683 1 8 . 1 1 76 76 SER HA H 76 3.964 3.964 4.359 -0.395 18480 5684 1 8 . 1 1 76 76 SER CA C 76 63.066 63.066 60.840 2.226 18480 5685 1 8 . 1 1 76 76 SER CB C 76 63.377 63.377 62.837 0.540 18480 5686 1 8 . 1 1 76 76 SER H H 76 8.065 8.065 7.591 0.474 18480 5687 1 8 . 1 1 77 77 MET N N 77 120.030 120.030 118.855 1.175 18480 5688 1 8 . 1 1 77 77 MET HA H 77 4.234 4.234 4.148 0.086 18480 5689 1 8 . 1 1 77 77 MET C C 77 178.354 178.354 178.351 0.003 18480 5690 1 8 . 1 1 77 77 MET CA C 77 57.167 57.167 56.331 0.836 18480 5691 1 8 . 1 1 77 77 MET CB C 77 32.728 32.728 30.862 1.866 18480 5692 1 8 . 1 1 77 77 MET H H 77 7.397 7.397 8.202 -0.805 18480 5693 1 8 . 1 1 78 78 ALA N N 78 119.880 119.880 122.740 -2.860 18480 5694 1 8 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.138 -0.235 18480 5695 1 8 . 1 1 78 78 ALA C C 78 178.354 178.354 178.975 -0.621 18480 5696 1 8 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.206 -0.066 18480 5697 1 8 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.568 0.533 18480 5698 1 8 . 1 1 78 78 ALA H H 78 7.908 7.908 7.621 0.287 18480 5699 1 8 . 1 1 79 79 GLU N N 79 117.907 117.907 119.469 -1.562 18480 5700 1 8 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.843 0.096 18480 5701 1 8 . 1 1 79 79 GLU C C 79 178.894 178.894 179.206 -0.312 18480 5702 1 8 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.145 0.555 18480 5703 1 8 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.791 0.856 18480 5704 1 8 . 1 1 79 79 GLU H H 79 8.576 8.576 7.780 0.796 18480 5705 1 8 . 1 1 80 80 ILE N N 80 121.918 121.918 120.165 1.753 18480 5706 1 8 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.652 -0.050 18480 5707 1 8 . 1 1 80 80 ILE C C 80 179.014 179.014 177.981 1.033 18480 5708 1 8 . 1 1 80 80 ILE CA C 80 65.131 65.131 65.065 0.066 18480 5709 1 8 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.620 0.005 18480 5710 1 8 . 1 1 80 80 ILE H H 80 8.065 8.065 7.982 0.083 18480 5711 1 8 . 1 1 81 81 ALA N N 81 120.266 120.266 121.945 -1.679 18480 5712 1 8 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.146 0.002 18480 5713 1 8 . 1 1 81 81 ALA C C 81 177.258 177.258 179.736 -2.478 18480 5714 1 8 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.340 0.800 18480 5715 1 8 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.745 0.409 18480 5716 1 8 . 1 1 81 81 ALA H H 81 8.169 8.169 7.386 0.783 18480 5717 1 8 . 1 1 82 82 ALA N N 82 114.813 114.813 121.838 -7.025 18480 5718 1 8 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.988 0.063 18480 5719 1 8 . 1 1 82 82 ALA C C 82 177.693 177.693 179.977 -2.284 18480 5720 1 8 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.860 -1.093 18480 5721 1 8 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.499 2.500 18480 5722 1 8 . 1 1 82 82 ALA H H 82 8.019 8.019 8.639 -0.620 18480 5723 1 8 . 1 1 83 83 SER N N 83 110.140 110.140 113.708 -3.568 18480 5724 1 8 . 1 1 83 83 SER HA H 83 4.415 4.415 4.368 0.047 18480 5725 1 8 . 1 1 83 83 SER C C 83 174.856 174.856 175.109 -0.253 18480 5726 1 8 . 1 1 83 83 SER CA C 83 59.772 59.772 61.587 -1.815 18480 5727 1 8 . 1 1 83 83 SER CB C 83 64.952 64.952 63.919 1.033 18480 5728 1 8 . 1 1 83 83 SER H H 83 7.823 7.823 8.049 -0.226 18480 5729 1 8 . 1 1 84 84 GLU N N 84 120.696 120.696 117.850 2.846 18480 5730 1 8 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.487 0.014 18480 5731 1 8 . 1 1 84 84 GLU C C 84 176.597 176.597 174.009 2.588 18480 5732 1 8 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.717 0.879 18480 5733 1 8 . 1 1 84 84 GLU CB C 84 28.537 28.537 33.107 -4.570 18480 5734 1 8 . 1 1 84 84 GLU H H 84 7.666 7.666 7.620 0.046 18480 5735 1 8 . 1 1 85 85 GLU N N 85 124.951 124.951 119.000 5.951 18480 5736 1 8 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.560 -0.298 18480 5737 1 8 . 1 1 85 85 GLU C C 85 177.258 177.258 175.174 2.084 18480 5738 1 8 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.096 1.749 18480 5739 1 8 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.793 -0.990 18480 5740 1 8 . 1 1 85 85 GLU H H 85 8.735 8.735 8.382 0.353 18480 5741 1 8 . 1 1 86 86 GLY N N 86 110.356 110.356 107.819 2.537 18480 5742 1 8 . 1 1 86 86 GLY C C 86 174.856 174.856 173.486 1.370 18480 5743 1 8 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.493 -1.103 18480 5744 1 8 . 1 1 86 86 GLY H H 86 8.609 8.609 8.593 0.016 18480 5745 1 8 . 1 1 87 87 GLY N N 87 107.569 107.569 109.204 -1.635 18480 5746 1 8 . 1 1 87 87 GLY C C 87 174.436 174.436 173.980 0.456 18480 5747 1 8 . 1 1 87 87 GLY CA C 87 44.260 44.260 45.199 -0.939 18480 5748 1 8 . 1 1 87 87 GLY H H 87 7.931 7.931 7.674 0.257 18480 5749 1 8 . 1 1 88 88 GLY N N 88 109.889 109.889 108.355 1.534 18480 5750 1 8 . 1 1 88 88 GLY C C 88 173.325 173.325 172.856 0.469 18480 5751 1 8 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.805 1.361 18480 5752 1 8 . 1 1 88 88 GLY H H 88 8.650 8.650 7.674 0.976 18480 5753 1 8 . 1 1 89 89 SER N N 89 114.731 114.731 113.631 1.100 18480 5754 1 8 . 1 1 89 89 SER HA H 89 4.411 4.411 4.582 -0.171 18480 5755 1 8 . 1 1 89 89 SER C C 89 175.066 175.066 176.343 -1.277 18480 5756 1 8 . 1 1 89 89 SER CA C 89 57.363 57.363 56.415 0.948 18480 5757 1 8 . 1 1 89 89 SER CB C 89 62.483 62.483 64.917 -2.434 18480 5758 1 8 . 1 1 89 89 SER H H 89 8.640 8.640 8.244 0.396 18480 5759 1 8 . 1 1 90 90 LEU N N 90 123.210 123.210 124.998 -1.788 18480 5760 1 8 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.145 -0.170 18480 5761 1 8 . 1 1 90 90 LEU C C 90 179.434 179.434 178.205 1.229 18480 5762 1 8 . 1 1 90 90 LEU CA C 90 58.343 58.343 57.613 0.730 18480 5763 1 8 . 1 1 90 90 LEU CB C 90 41.364 41.364 42.018 -0.654 18480 5764 1 8 . 1 1 90 90 LEU H H 90 8.976 8.976 8.733 0.243 18480 5765 1 8 . 1 1 91 91 SER N N 91 115.789 115.789 114.019 1.770 18480 5766 1 8 . 1 1 91 91 SER HA H 91 4.149 4.149 4.281 -0.132 18480 5767 1 8 . 1 1 91 91 SER C C 91 177.325 177.325 176.278 1.047 18480 5768 1 8 . 1 1 91 91 SER CA C 91 61.794 61.794 62.587 -0.793 18480 5769 1 8 . 1 1 91 91 SER CB C 91 62.276 62.276 62.191 0.085 18480 5770 1 8 . 1 1 91 91 SER H H 91 8.612 8.612 8.146 0.466 18480 5771 1 8 . 1 1 92 92 THR N N 92 122.677 122.677 118.919 3.758 18480 5772 1 8 . 1 1 92 92 THR HA H 92 3.919 3.919 4.182 -0.263 18480 5773 1 8 . 1 1 92 92 THR C C 92 176.162 176.162 176.732 -0.570 18480 5774 1 8 . 1 1 92 92 THR CA C 92 66.719 66.719 66.051 0.668 18480 5775 1 8 . 1 1 92 92 THR CB C 92 68.236 68.236 68.549 -0.313 18480 5776 1 8 . 1 1 92 92 THR H H 92 7.871 7.871 8.013 -0.142 18480 5777 1 8 . 1 1 93 93 LYS N N 93 119.820 119.820 120.334 -0.514 18480 5778 1 8 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.225 -0.656 18480 5779 1 8 . 1 1 93 93 LYS CA C 93 60.652 60.652 58.811 1.841 18480 5780 1 8 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.135 2.593 18480 5781 1 8 . 1 1 93 93 LYS H H 93 8.263 8.263 8.507 -0.244 18480 5782 1 8 . 1 1 94 94 THR N N 94 113.759 113.759 117.804 -4.045 18480 5783 1 8 . 1 1 94 94 THR HA H 94 3.692 3.692 4.217 -0.525 18480 5784 1 8 . 1 1 94 94 THR C C 94 177.033 177.033 176.435 0.598 18480 5785 1 8 . 1 1 94 94 THR CA C 94 68.122 68.122 66.995 1.127 18480 5786 1 8 . 1 1 94 94 THR CB C 94 68.342 68.342 68.625 -0.283 18480 5787 1 8 . 1 1 94 94 THR H H 94 8.448 8.448 7.588 0.860 18480 5788 1 8 . 1 1 95 95 SER N N 95 117.547 117.547 118.575 -1.028 18480 5789 1 8 . 1 1 95 95 SER HA H 95 4.262 4.262 4.219 0.043 18480 5790 1 8 . 1 1 95 95 SER C C 95 177.828 177.828 176.697 1.131 18480 5791 1 8 . 1 1 95 95 SER CA C 95 61.758 61.758 61.849 -0.091 18480 5792 1 8 . 1 1 95 95 SER CB C 95 62.667 62.667 62.883 -0.216 18480 5793 1 8 . 1 1 95 95 SER H H 95 8.173 8.173 8.340 -0.167 18480 5794 1 8 . 1 1 96 96 SER N N 96 121.366 121.366 118.187 3.179 18480 5795 1 8 . 1 1 96 96 SER HA H 96 4.035 4.035 4.248 -0.213 18480 5796 1 8 . 1 1 96 96 SER CA C 96 62.467 62.467 62.561 -0.094 18480 5797 1 8 . 1 1 96 96 SER CB C 96 61.755 61.755 63.072 -1.317 18480 5798 1 8 . 1 1 96 96 SER H H 96 8.830 8.830 8.186 0.644 18480 5799 1 8 . 1 1 97 97 ILE N N 97 121.943 121.943 121.834 0.109 18480 5800 1 8 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.832 -0.023 18480 5801 1 8 . 1 1 97 97 ILE C C 97 177.693 177.693 177.825 -0.132 18480 5802 1 8 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.185 0.857 18480 5803 1 8 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.762 -0.226 18480 5804 1 8 . 1 1 97 97 ILE H H 97 8.380 8.380 7.720 0.660 18480 5805 1 8 . 1 1 98 98 ALA N N 98 122.507 122.507 122.808 -0.301 18480 5806 1 8 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.048 -0.008 18480 5807 1 8 . 1 1 98 98 ALA C C 98 180.740 180.740 179.744 0.996 18480 5808 1 8 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.544 0.844 18480 5809 1 8 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.022 0.132 18480 5810 1 8 . 1 1 98 98 ALA H H 98 8.624 8.624 7.913 0.711 18480 5811 1 8 . 1 1 99 99 SER N N 99 115.850 115.850 114.747 1.103 18480 5812 1 8 . 1 1 99 99 SER HA H 99 4.325 4.325 4.325 0.000 18480 5813 1 8 . 1 1 99 99 SER C C 99 177.168 177.168 176.205 0.963 18480 5814 1 8 . 1 1 99 99 SER CA C 99 61.867 61.867 61.072 0.795 18480 5815 1 8 . 1 1 99 99 SER CB C 99 63.200 63.200 63.079 0.121 18480 5816 1 8 . 1 1 99 99 SER H H 99 8.667 8.667 8.460 0.207 18480 5817 1 8 . 1 1 100 100 ALA N N 100 124.410 124.410 123.636 0.774 18480 5818 1 8 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.091 0.051 18480 5819 1 8 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.642 0.746 18480 5820 1 8 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.943 -0.316 18480 5821 1 8 . 1 1 100 100 ALA H H 100 8.744 8.744 7.848 0.896 18480 5822 1 8 . 1 1 101 101 MET N N 101 119.346 119.346 117.058 2.288 18480 5823 1 8 . 1 1 101 101 MET HA H 101 4.368 4.368 4.456 -0.088 18480 5824 1 8 . 1 1 101 101 MET CA C 101 59.163 59.163 57.130 2.033 18480 5825 1 8 . 1 1 101 101 MET CB C 101 33.233 33.233 32.303 0.930 18480 5826 1 8 . 1 1 101 101 MET H H 101 9.152 9.152 8.865 0.287 18480 5827 1 8 . 1 1 102 102 SER N N 102 117.124 117.124 112.985 4.139 18480 5828 1 8 . 1 1 102 102 SER HA H 102 4.382 4.382 4.599 -0.217 18480 5829 1 8 . 1 1 102 102 SER CA C 102 63.424 63.424 60.152 3.272 18480 5830 1 8 . 1 1 102 102 SER CB C 102 62.639 62.639 62.625 0.014 18480 5831 1 8 . 1 1 102 102 SER H H 102 8.766 8.766 8.248 0.518 18480 5832 1 8 . 1 1 103 103 ASN N N 103 118.601 118.601 118.960 -0.359 18480 5833 1 8 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.842 -0.376 18480 5834 1 8 . 1 1 103 103 ASN CA C 103 56.639 56.639 54.300 2.338 18480 5835 1 8 . 1 1 103 103 ASN CB C 103 38.307 38.307 39.103 -0.796 18480 5836 1 8 . 1 1 103 103 ASN H H 103 8.298 8.298 7.827 0.471 18480 5837 1 8 . 1 1 104 104 ALA N N 104 122.821 122.821 124.102 -1.281 18480 5838 1 8 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.914 0.325 18480 5839 1 8 . 1 1 104 104 ALA C C 104 181.701 181.701 179.096 2.605 18480 5840 1 8 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.929 0.343 18480 5841 1 8 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.992 0.181 18480 5842 1 8 . 1 1 104 104 ALA H H 104 7.969 7.969 8.048 -0.079 18480 5843 1 8 . 1 1 105 105 PHE N N 105 119.585 119.585 115.978 3.607 18480 5844 1 8 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.568 -0.360 18480 5845 1 8 . 1 1 105 105 PHE C C 105 179.224 179.224 177.497 1.727 18480 5846 1 8 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.521 2.601 18480 5847 1 8 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.031 0.536 18480 5848 1 8 . 1 1 105 105 PHE H H 105 8.647 8.647 7.883 0.764 18480 5849 1 8 . 1 1 106 106 LEU N N 106 121.925 121.925 115.066 6.859 18480 5850 1 8 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.400 -0.701 18480 5851 1 8 . 1 1 106 106 LEU C C 106 179.074 179.074 178.361 0.713 18480 5852 1 8 . 1 1 106 106 LEU CA C 106 59.055 59.055 55.555 3.500 18480 5853 1 8 . 1 1 106 106 LEU CB C 106 41.462 41.462 40.415 1.047 18480 5854 1 8 . 1 1 106 106 LEU H H 106 8.450 8.450 7.802 0.648 18480 5855 1 8 . 1 1 107 107 GLN N N 107 115.214 115.214 118.025 -2.811 18480 5856 1 8 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.380 -0.278 18480 5857 1 8 . 1 1 107 107 GLN C C 107 176.822 176.822 177.026 -0.204 18480 5858 1 8 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.386 0.200 18480 5859 1 8 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.601 -0.322 18480 5860 1 8 . 1 1 107 107 GLN H H 107 8.444 8.444 7.659 0.785 18480 5861 1 8 . 1 1 108 108 THR N N 108 109.014 109.014 113.433 -4.419 18480 5862 1 8 . 1 1 108 108 THR HA H 108 4.369 4.369 4.424 -0.055 18480 5863 1 8 . 1 1 108 108 THR C C 108 175.952 175.952 176.096 -0.144 18480 5864 1 8 . 1 1 108 108 THR CA C 108 63.658 63.658 63.785 -0.127 18480 5865 1 8 . 1 1 108 108 THR CB C 108 70.179 70.179 69.249 0.930 18480 5866 1 8 . 1 1 108 108 THR H H 108 7.631 7.631 7.695 -0.064 18480 5867 1 8 . 1 1 109 109 THR N N 109 110.844 110.844 114.111 -3.267 18480 5868 1 8 . 1 1 109 109 THR HA H 109 4.477 4.477 4.328 0.149 18480 5869 1 8 . 1 1 109 109 THR C C 109 176.162 176.162 176.330 -0.168 18480 5870 1 8 . 1 1 109 109 THR CA C 109 61.728 61.728 63.106 -1.379 18480 5871 1 8 . 1 1 109 109 THR CB C 109 70.659 70.659 70.094 0.565 18480 5872 1 8 . 1 1 109 109 THR H H 109 8.623 8.623 7.770 0.853 18480 5873 1 8 . 1 1 110 110 GLY N N 110 109.549 109.549 110.241 -0.692 18480 5874 1 8 . 1 1 110 110 GLY C C 110 172.889 172.889 173.185 -0.296 18480 5875 1 8 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.861 0.682 18480 5876 1 8 . 1 1 110 110 GLY H H 110 8.113 8.113 8.350 -0.237 18480 5877 1 8 . 1 1 111 111 VAL N N 111 118.903 118.903 119.446 -0.543 18480 5878 1 8 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.488 -0.232 18480 5879 1 8 . 1 1 111 111 VAL C C 111 174.421 174.421 174.028 0.393 18480 5880 1 8 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.982 -0.221 18480 5881 1 8 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.141 0.369 18480 5882 1 8 . 1 1 111 111 VAL H H 111 7.724 7.724 7.620 0.104 18480 5883 1 8 . 1 1 112 112 VAL N N 112 124.398 124.398 124.752 -0.354 18480 5884 1 8 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.132 -0.899 18480 5885 1 8 . 1 1 112 112 VAL C C 112 174.646 174.646 173.771 0.875 18480 5886 1 8 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.004 3.732 18480 5887 1 8 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.988 -2.182 18480 5888 1 8 . 1 1 112 112 VAL H H 112 8.627 8.627 8.247 0.380 18480 5889 1 8 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.764 -0.195 18480 5890 1 8 . 1 1 113 113 ASN CA C 113 51.207 51.207 51.900 -0.693 18480 5891 1 8 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.347 -0.966 18480 5892 1 8 . 1 1 114 114 GLN N N 114 125.364 125.364 126.862 -1.498 18480 5893 1 8 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.215 -0.275 18480 5894 1 8 . 1 1 114 114 GLN C C 114 174.811 174.811 175.804 -0.993 18480 5895 1 8 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.950 -1.314 18480 5896 1 8 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.596 -0.504 18480 5897 1 8 . 1 1 114 114 GLN H H 114 8.731 8.731 8.949 -0.218 18480 5898 1 8 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.164 0.104 18480 5899 1 8 . 1 1 115 115 PRO CA C 115 66.661 66.661 66.290 0.371 18480 5900 1 8 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.389 -0.192 18480 5901 1 8 . 1 1 116 116 PHE N N 116 118.102 118.102 118.353 -0.251 18480 5902 1 8 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.141 0.120 18480 5903 1 8 . 1 1 116 116 PHE C C 116 176.597 176.597 177.277 -0.680 18480 5904 1 8 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.738 -0.448 18480 5905 1 8 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.287 0.293 18480 5906 1 8 . 1 1 116 116 PHE H H 116 7.712 7.712 8.668 -0.956 18480 5907 1 8 . 1 1 117 117 ILE N N 117 118.950 118.950 118.904 0.046 18480 5908 1 8 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.752 -0.098 18480 5909 1 8 . 1 1 117 117 ILE C C 117 178.789 178.789 178.358 0.431 18480 5910 1 8 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.911 0.729 18480 5911 1 8 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.539 -0.026 18480 5912 1 8 . 1 1 117 117 ILE H H 117 7.747 7.747 7.964 -0.217 18480 5913 1 8 . 1 1 118 118 ASN N N 118 119.204 119.204 118.565 0.639 18480 5914 1 8 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.532 -0.165 18480 5915 1 8 . 1 1 118 118 ASN C C 118 177.033 177.033 178.214 -1.181 18480 5916 1 8 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.125 -0.344 18480 5917 1 8 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.581 -1.096 18480 5918 1 8 . 1 1 118 118 ASN H H 118 8.847 8.847 8.423 0.424 18480 5919 1 8 . 1 1 119 119 GLU N N 119 120.684 120.684 121.263 -0.579 18480 5920 1 8 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.027 -0.062 18480 5921 1 8 . 1 1 119 119 GLU C C 119 178.564 178.564 178.791 -0.227 18480 5922 1 8 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.956 0.158 18480 5923 1 8 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.005 -0.487 18480 5924 1 8 . 1 1 119 119 GLU H H 119 8.081 8.081 8.074 0.007 18480 5925 1 8 . 1 1 120 120 ILE N N 120 118.037 118.037 118.942 -0.905 18480 5926 1 8 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.757 -0.185 18480 5927 1 8 . 1 1 120 120 ILE C C 120 178.279 178.279 178.077 0.202 18480 5928 1 8 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.800 -0.702 18480 5929 1 8 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.526 -1.274 18480 5930 1 8 . 1 1 120 120 ILE H H 120 7.948 7.948 7.788 0.160 18480 5931 1 8 . 1 1 121 121 THR N N 121 113.671 113.671 109.587 4.084 18480 5932 1 8 . 1 1 121 121 THR HA H 121 3.804 3.804 4.099 -0.295 18480 5933 1 8 . 1 1 121 121 THR C C 121 177.258 177.258 176.576 0.682 18480 5934 1 8 . 1 1 121 121 THR CA C 121 66.771 66.771 64.829 1.942 18480 5935 1 8 . 1 1 121 121 THR CB C 121 68.293 68.293 68.439 -0.146 18480 5936 1 8 . 1 1 121 121 THR H H 121 8.345 8.345 7.630 0.715 18480 5937 1 8 . 1 1 122 122 GLN N N 122 121.849 121.849 120.749 1.100 18480 5938 1 8 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.222 -0.223 18480 5939 1 8 . 1 1 122 122 GLN C C 122 179.014 179.014 177.823 1.191 18480 5940 1 8 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.047 0.719 18480 5941 1 8 . 1 1 122 122 GLN CB C 122 28.432 28.432 29.002 -0.570 18480 5942 1 8 . 1 1 122 122 GLN H H 122 7.589 7.589 7.838 -0.249 18480 5943 1 8 . 1 1 123 123 LEU N N 123 120.855 120.855 121.648 -0.793 18480 5944 1 8 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.820 -0.402 18480 5945 1 8 . 1 1 123 123 LEU C C 123 178.354 178.354 178.865 -0.511 18480 5946 1 8 . 1 1 123 123 LEU CA C 123 57.816 57.816 58.147 -0.331 18480 5947 1 8 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.212 -0.361 18480 5948 1 8 . 1 1 123 123 LEU H H 123 8.081 8.081 7.708 0.373 18480 5949 1 8 . 1 1 124 124 VAL N N 124 115.864 115.864 116.153 -0.289 18480 5950 1 8 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.773 -0.423 18480 5951 1 8 . 1 1 124 124 VAL C C 124 177.453 177.453 178.495 -1.042 18480 5952 1 8 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.150 1.323 18480 5953 1 8 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.396 0.210 18480 5954 1 8 . 1 1 124 124 VAL H H 124 7.574 7.574 7.780 -0.206 18480 5955 1 8 . 1 1 125 125 SER N N 125 110.334 110.334 114.673 -4.339 18480 5956 1 8 . 1 1 125 125 SER HA H 125 4.054 4.054 4.174 -0.120 18480 5957 1 8 . 1 1 125 125 SER C C 125 175.937 175.937 176.284 -0.347 18480 5958 1 8 . 1 1 125 125 SER CA C 125 61.763 61.763 61.371 0.392 18480 5959 1 8 . 1 1 125 125 SER CB C 125 62.864 62.864 63.402 -0.538 18480 5960 1 8 . 1 1 125 125 SER H H 125 6.950 6.950 7.459 -0.509 18480 5961 1 8 . 1 1 126 126 MET N N 126 121.750 121.750 119.077 2.673 18480 5962 1 8 . 1 1 126 126 MET HA H 126 3.951 3.951 4.126 -0.175 18480 5963 1 8 . 1 1 126 126 MET C C 126 179.254 179.254 178.420 0.834 18480 5964 1 8 . 1 1 126 126 MET CA C 126 59.246 59.246 58.723 0.523 18480 5965 1 8 . 1 1 126 126 MET CB C 126 33.265 33.265 32.193 1.072 18480 5966 1 8 . 1 1 126 126 MET H H 126 8.113 8.113 8.019 0.094 18480 5967 1 8 . 1 1 127 127 PHE N N 127 118.909 118.909 117.828 1.081 18480 5968 1 8 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.265 0.378 18480 5969 1 8 . 1 1 127 127 PHE C C 127 178.128 178.128 177.207 0.921 18480 5970 1 8 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.767 -3.008 18480 5971 1 8 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.370 -0.309 18480 5972 1 8 . 1 1 127 127 PHE H H 127 8.791 8.791 7.819 0.972 18480 5973 1 8 . 1 1 128 128 ALA N N 128 122.620 122.620 121.446 1.174 18480 5974 1 8 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.205 -0.029 18480 5975 1 8 . 1 1 128 128 ALA C C 128 178.789 178.789 178.523 0.266 18480 5976 1 8 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.351 0.314 18480 5977 1 8 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.540 0.625 18480 5978 1 8 . 1 1 128 128 ALA H H 128 8.235 8.235 7.400 0.835 18480 5979 1 8 . 1 1 129 129 GLN N N 129 116.507 116.507 116.874 -0.367 18480 5980 1 8 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.232 -0.007 18480 5981 1 8 . 1 1 129 129 GLN C C 129 177.258 177.258 177.933 -0.675 18480 5982 1 8 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.520 -0.502 18480 5983 1 8 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.764 0.361 18480 5984 1 8 . 1 1 129 129 GLN H H 129 7.715 7.715 7.690 0.025 18480 5985 1 8 . 1 1 130 130 ALA N N 130 122.020 122.020 121.337 0.683 18480 5986 1 8 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.204 0.016 18480 5987 1 8 . 1 1 130 130 ALA C C 130 178.564 178.564 178.798 -0.234 18480 5988 1 8 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.391 0.415 18480 5989 1 8 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.089 -0.129 18480 5990 1 8 . 1 1 130 130 ALA H H 130 7.775 7.775 7.561 0.214 18480 5991 1 8 . 1 1 131 131 GLY N N 131 106.006 106.006 106.525 -0.519 18480 5992 1 8 . 1 1 131 131 GLY C C 131 173.970 173.970 175.111 -1.141 18480 5993 1 8 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.075 0.038 18480 5994 1 8 . 1 1 131 131 GLY H H 131 8.110 8.110 7.939 0.171 18480 5995 1 8 . 1 1 132 132 MET N N 132 118.637 118.637 115.754 2.883 18480 5996 1 8 . 1 1 132 132 MET HA H 132 4.401 4.401 4.468 -0.067 18480 5997 1 8 . 1 1 132 132 MET C C 132 175.952 175.952 175.924 0.028 18480 5998 1 8 . 1 1 132 132 MET CA C 132 56.375 56.375 55.139 1.236 18480 5999 1 8 . 1 1 132 132 MET CB C 132 32.939 32.939 30.718 2.221 18480 6000 1 8 . 1 1 132 132 MET H H 132 7.945 7.945 8.241 -0.296 18480 6001 1 8 . 1 1 133 133 ASN N N 133 117.955 117.955 116.739 1.216 18480 6002 1 8 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.587 0.184 18480 6003 1 8 . 1 1 133 133 ASN C C 133 174.646 174.646 175.404 -0.758 18480 6004 1 8 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.229 -0.741 18480 6005 1 8 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.240 1.136 18480 6006 1 8 . 1 1 133 133 ASN H H 133 8.283 8.283 7.757 0.526 18480 6007 1 8 . 1 1 134 134 ASP N N 134 120.891 120.891 121.435 -0.544 18480 6008 1 8 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.634 -0.015 18480 6009 1 8 . 1 1 134 134 ASP C C 134 176.162 176.162 177.077 -0.915 18480 6010 1 8 . 1 1 134 134 ASP CA C 134 54.401 54.401 54.975 -0.574 18480 6011 1 8 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.561 -1.388 18480 6012 1 8 . 1 1 134 134 ASP H H 134 8.192 8.192 7.648 0.544 18480 6013 1 8 . 1 1 135 135 VAL N N 135 119.737 119.737 115.887 3.850 18480 6014 1 8 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.614 0.566 18480 6015 1 8 . 1 1 135 135 VAL C C 135 176.162 176.162 175.066 1.096 18480 6016 1 8 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.072 -0.925 18480 6017 1 8 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.165 2.565 18480 6018 1 8 . 1 1 135 135 VAL H H 135 8.056 8.056 7.724 0.332 18480 6019 1 8 . 1 1 136 136 SER N N 136 119.689 119.689 108.914 10.775 18480 6020 1 8 . 1 1 136 136 SER HA H 136 4.427 4.427 4.052 0.375 18480 6021 1 8 . 1 1 136 136 SER C C 136 173.325 173.325 174.241 -0.916 18480 6022 1 8 . 1 1 136 136 SER CA C 136 58.351 58.351 59.820 -1.469 18480 6023 1 8 . 1 1 136 136 SER CB C 136 64.031 64.031 61.001 3.030 18480 6024 1 8 . 1 1 136 136 SER H H 136 8.355 8.355 8.557 -0.202 18480 6025 1 9 . 1 1 3 3 GLY N N 3 110.996 110.996 113.910 -2.914 18480 6026 1 9 . 1 1 3 3 GLY CA C 3 45.476 45.476 45.638 -0.162 18480 6027 1 9 . 1 1 3 3 GLY H H 3 8.591 8.591 8.208 0.383 18480 6028 1 9 . 1 1 4 4 ASN N N 4 118.637 118.637 117.649 0.988 18480 6029 1 9 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.368 0.360 18480 6030 1 9 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.177 -0.007 18480 6031 1 9 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.132 0.932 18480 6032 1 9 . 1 1 4 4 ASN H H 4 8.318 8.318 8.334 -0.016 18480 6033 1 9 . 1 1 5 5 SER N N 5 116.285 116.285 117.065 -0.780 18480 6034 1 9 . 1 1 5 5 SER HA H 5 4.352 4.352 4.246 0.106 18480 6035 1 9 . 1 1 5 5 SER CA C 5 58.593 58.593 59.444 -0.851 18480 6036 1 9 . 1 1 5 5 SER CB C 5 63.633 63.633 62.690 0.943 18480 6037 1 9 . 1 1 5 5 SER H H 5 8.280 8.280 7.948 0.332 18480 6038 1 9 . 1 1 6 6 HIS N N 6 119.777 119.777 124.803 -5.026 18480 6039 1 9 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.837 -0.099 18480 6040 1 9 . 1 1 6 6 HIS CA C 6 55.344 55.344 54.906 0.438 18480 6041 1 9 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.972 -2.644 18480 6042 1 9 . 1 1 6 6 HIS H H 6 8.460 8.460 8.304 0.156 18480 6043 1 9 . 1 1 7 7 THR N N 7 115.111 115.111 113.787 1.324 18480 6044 1 9 . 1 1 7 7 THR HA H 7 4.217 4.217 4.562 -0.345 18480 6045 1 9 . 1 1 7 7 THR C C 7 173.970 173.970 173.586 0.384 18480 6046 1 9 . 1 1 7 7 THR CA C 7 62.118 62.118 61.071 1.047 18480 6047 1 9 . 1 1 7 7 THR CB C 7 69.871 69.871 69.141 0.730 18480 6048 1 9 . 1 1 7 7 THR H H 7 8.202 8.202 8.407 -0.205 18480 6049 1 9 . 1 1 8 8 THR N N 8 113.695 113.695 114.444 -0.749 18480 6050 1 9 . 1 1 8 8 THR HA H 8 4.439 4.439 4.478 -0.039 18480 6051 1 9 . 1 1 8 8 THR C C 8 172.664 172.664 172.653 0.011 18480 6052 1 9 . 1 1 8 8 THR CA C 8 58.847 58.847 57.656 1.191 18480 6053 1 9 . 1 1 8 8 THR CB C 8 62.183 62.183 69.772 -7.589 18480 6054 1 9 . 1 1 8 8 THR H H 8 8.113 8.113 7.641 0.472 18480 6055 1 9 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.312 -0.347 18480 6056 1 9 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.361 -0.925 18480 6057 1 9 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.733 -0.562 18480 6058 1 9 . 1 1 10 10 TRP N N 10 108.872 108.872 110.779 -1.907 18480 6059 1 9 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.969 -0.380 18480 6060 1 9 . 1 1 10 10 TRP C C 10 175.817 175.817 175.986 -0.169 18480 6061 1 9 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.752 0.421 18480 6062 1 9 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.977 -1.002 18480 6063 1 9 . 1 1 10 10 TRP H H 10 6.511 6.511 6.959 -0.448 18480 6064 1 9 . 1 1 11 11 THR N N 11 113.736 113.736 115.873 -2.137 18480 6065 1 9 . 1 1 11 11 THR HA H 11 3.899 3.899 4.075 -0.176 18480 6066 1 9 . 1 1 11 11 THR C C 11 173.970 173.970 173.846 0.124 18480 6067 1 9 . 1 1 11 11 THR CA C 11 65.731 65.731 65.010 0.721 18480 6068 1 9 . 1 1 11 11 THR CB C 11 69.609 69.609 68.661 0.948 18480 6069 1 9 . 1 1 11 11 THR H H 11 7.310 7.310 7.529 -0.219 18480 6070 1 9 . 1 1 12 12 ASN N N 12 112.814 112.814 114.754 -1.940 18480 6071 1 9 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.012 -0.340 18480 6072 1 9 . 1 1 12 12 ASN C C 12 172.889 172.889 173.327 -0.438 18480 6073 1 9 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.301 0.827 18480 6074 1 9 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.802 -0.103 18480 6075 1 9 . 1 1 12 12 ASN H H 12 7.234 7.234 7.518 -0.284 18480 6076 1 9 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.229 -0.146 18480 6077 1 9 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.001 -0.359 18480 6078 1 9 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.871 0.182 18480 6079 1 9 . 1 1 14 14 GLY N N 14 107.424 107.424 106.395 1.029 18480 6080 1 9 . 1 1 14 14 GLY C C 14 175.952 175.952 176.372 -0.420 18480 6081 1 9 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.953 0.237 18480 6082 1 9 . 1 1 14 14 GLY H H 14 8.288 8.288 7.945 0.343 18480 6083 1 9 . 1 1 15 15 LEU N N 15 122.906 122.906 122.676 0.230 18480 6084 1 9 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.960 0.070 18480 6085 1 9 . 1 1 15 15 LEU C C 15 178.564 178.564 178.999 -0.435 18480 6086 1 9 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.444 0.432 18480 6087 1 9 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.652 0.664 18480 6088 1 9 . 1 1 15 15 LEU H H 15 7.956 7.956 8.603 -0.647 18480 6089 1 9 . 1 1 16 16 ALA N N 16 122.949 122.949 122.148 0.801 18480 6090 1 9 . 1 1 16 16 ALA HA H 16 4.105 4.105 3.976 0.129 18480 6091 1 9 . 1 1 16 16 ALA C C 16 179.104 179.104 179.467 -0.363 18480 6092 1 9 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.099 0.881 18480 6093 1 9 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.242 0.893 18480 6094 1 9 . 1 1 16 16 ALA H H 16 7.598 7.598 7.841 -0.243 18480 6095 1 9 . 1 1 17 17 GLU N N 17 116.632 116.632 118.699 -2.067 18480 6096 1 9 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.905 -0.085 18480 6097 1 9 . 1 1 17 17 GLU C C 17 177.993 177.993 178.655 -0.662 18480 6098 1 9 . 1 1 17 17 GLU CA C 17 59.049 59.049 59.555 -0.506 18480 6099 1 9 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.765 -1.044 18480 6100 1 9 . 1 1 17 17 GLU H H 17 8.097 8.097 8.364 -0.267 18480 6101 1 9 . 1 1 18 18 ASN N N 18 117.645 117.645 117.830 -0.185 18480 6102 1 9 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.479 -0.051 18480 6103 1 9 . 1 1 18 18 ASN C C 18 178.347 178.347 177.816 0.531 18480 6104 1 9 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.717 0.377 18480 6105 1 9 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.159 -0.035 18480 6106 1 9 . 1 1 18 18 ASN H H 18 8.196 8.196 7.927 0.269 18480 6107 1 9 . 1 1 19 19 PHE N N 19 123.188 123.188 122.925 0.263 18480 6108 1 9 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.098 -0.147 18480 6109 1 9 . 1 1 19 19 PHE C C 19 176.837 176.837 176.730 0.107 18480 6110 1 9 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.935 -0.038 18480 6111 1 9 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.005 0.724 18480 6112 1 9 . 1 1 19 19 PHE H H 19 8.868 8.868 8.482 0.386 18480 6113 1 9 . 1 1 20 20 MET N N 20 118.140 118.140 115.862 2.278 18480 6114 1 9 . 1 1 20 20 MET HA H 20 3.303 3.303 3.567 -0.264 18480 6115 1 9 . 1 1 20 20 MET C C 20 178.924 178.924 178.307 0.617 18480 6116 1 9 . 1 1 20 20 MET CA C 20 60.043 60.043 57.397 2.646 18480 6117 1 9 . 1 1 20 20 MET CB C 20 33.527 33.527 30.900 2.627 18480 6118 1 9 . 1 1 20 20 MET H H 20 7.644 7.644 7.588 0.056 18480 6119 1 9 . 1 1 21 21 ASN N N 21 116.213 116.213 119.499 -3.286 18480 6120 1 9 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.403 0.050 18480 6121 1 9 . 1 1 21 21 ASN C C 21 178.249 178.249 178.021 0.228 18480 6122 1 9 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.446 -0.497 18480 6123 1 9 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.318 -0.221 18480 6124 1 9 . 1 1 21 21 ASN H H 21 8.169 8.169 7.785 0.384 18480 6125 1 9 . 1 1 22 22 SER N N 22 117.086 117.086 115.759 1.327 18480 6126 1 9 . 1 1 22 22 SER HA H 22 4.152 4.152 4.172 -0.020 18480 6127 1 9 . 1 1 22 22 SER C C 22 178.143 178.143 175.999 2.144 18480 6128 1 9 . 1 1 22 22 SER CA C 22 62.154 62.154 61.801 0.353 18480 6129 1 9 . 1 1 22 22 SER CB C 22 62.709 62.709 62.920 -0.211 18480 6130 1 9 . 1 1 22 22 SER H H 22 8.650 8.650 8.543 0.107 18480 6131 1 9 . 1 1 23 23 PHE N N 23 124.044 124.044 124.112 -0.068 18480 6132 1 9 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.193 -0.325 18480 6133 1 9 . 1 1 23 23 PHE C C 23 175.652 175.652 176.708 -1.056 18480 6134 1 9 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.638 1.480 18480 6135 1 9 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.274 -1.024 18480 6136 1 9 . 1 1 23 23 PHE H H 23 8.394 8.394 7.720 0.674 18480 6137 1 9 . 1 1 24 24 MET N N 24 117.794 117.794 116.622 1.172 18480 6138 1 9 . 1 1 24 24 MET HA H 24 4.177 4.177 3.811 0.366 18480 6139 1 9 . 1 1 24 24 MET C C 24 179.797 179.797 178.384 1.413 18480 6140 1 9 . 1 1 24 24 MET CA C 24 56.498 56.498 56.309 0.190 18480 6141 1 9 . 1 1 24 24 MET CB C 24 31.903 31.903 31.395 0.508 18480 6142 1 9 . 1 1 24 24 MET H H 24 7.781 7.781 7.892 -0.111 18480 6143 1 9 . 1 1 25 25 GLN N N 25 119.477 119.477 116.875 2.602 18480 6144 1 9 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.187 -0.223 18480 6145 1 9 . 1 1 25 25 GLN C C 25 179.870 179.870 177.025 2.845 18480 6146 1 9 . 1 1 25 25 GLN CA C 25 58.748 58.748 57.709 1.039 18480 6147 1 9 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.347 0.037 18480 6148 1 9 . 1 1 25 25 GLN H H 25 8.233 8.233 7.899 0.334 18480 6149 1 9 . 1 1 26 26 GLY N N 26 107.052 107.052 106.988 0.064 18480 6150 1 9 . 1 1 26 26 GLY C C 26 176.387 176.387 175.622 0.765 18480 6151 1 9 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.032 1.641 18480 6152 1 9 . 1 1 26 26 GLY H H 26 7.936 7.936 7.462 0.474 18480 6153 1 9 . 1 1 27 27 LEU N N 27 122.471 122.471 123.692 -1.221 18480 6154 1 9 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.047 -0.329 18480 6155 1 9 . 1 1 27 27 LEU C C 27 178.564 178.564 178.005 0.559 18480 6156 1 9 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.064 1.129 18480 6157 1 9 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.556 0.137 18480 6158 1 9 . 1 1 27 27 LEU H H 27 8.157 8.157 8.111 0.046 18480 6159 1 9 . 1 1 28 28 SER N N 28 109.215 109.215 112.237 -3.022 18480 6160 1 9 . 1 1 28 28 SER HA H 28 4.064 4.064 4.236 -0.172 18480 6161 1 9 . 1 1 28 28 SER C C 28 174.421 174.421 175.449 -1.028 18480 6162 1 9 . 1 1 28 28 SER CA C 28 61.444 61.444 60.205 1.239 18480 6163 1 9 . 1 1 28 28 SER CB C 28 63.210 63.210 63.088 0.122 18480 6164 1 9 . 1 1 28 28 SER H H 28 7.469 7.469 7.686 -0.217 18480 6165 1 9 . 1 1 29 29 SER N N 29 114.308 114.308 115.423 -1.115 18480 6166 1 9 . 1 1 29 29 SER HA H 29 4.667 4.667 4.596 0.071 18480 6167 1 9 . 1 1 29 29 SER C C 29 173.970 173.970 173.678 0.292 18480 6168 1 9 . 1 1 29 29 SER CA C 29 57.914 57.914 57.837 0.078 18480 6169 1 9 . 1 1 29 29 SER CB C 29 64.359 64.359 64.126 0.233 18480 6170 1 9 . 1 1 29 29 SER H H 29 7.383 7.383 7.614 -0.231 18480 6171 1 9 . 1 1 30 30 MET N N 30 122.604 122.604 122.692 -0.088 18480 6172 1 9 . 1 1 30 30 MET HA H 30 4.882 4.882 4.932 -0.050 18480 6173 1 9 . 1 1 30 30 MET C C 30 174.195 174.195 174.496 -0.301 18480 6174 1 9 . 1 1 30 30 MET CA C 30 53.753 53.753 51.958 1.795 18480 6175 1 9 . 1 1 30 30 MET CB C 30 32.013 32.013 32.088 -0.075 18480 6176 1 9 . 1 1 30 30 MET H H 30 7.804 7.804 7.553 0.251 18480 6177 1 9 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.512 0.154 18480 6178 1 9 . 1 1 31 31 PRO CA C 31 63.697 63.697 63.266 0.431 18480 6179 1 9 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.906 0.047 18480 6180 1 9 . 1 1 32 32 GLY N N 32 104.648 104.648 108.452 -3.804 18480 6181 1 9 . 1 1 32 32 GLY C C 32 172.454 172.454 173.321 -0.867 18480 6182 1 9 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.524 -0.103 18480 6183 1 9 . 1 1 32 32 GLY H H 32 8.363 8.363 8.637 -0.274 18480 6184 1 9 . 1 1 33 33 PHE N N 33 116.917 116.917 123.383 -6.466 18480 6185 1 9 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.689 0.598 18480 6186 1 9 . 1 1 33 33 PHE C C 33 176.387 176.387 175.478 0.909 18480 6187 1 9 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.738 -0.836 18480 6188 1 9 . 1 1 33 33 PHE CB C 33 42.290 42.290 39.551 2.739 18480 6189 1 9 . 1 1 33 33 PHE H H 33 8.118 8.118 7.320 0.798 18480 6190 1 9 . 1 1 34 34 THR N N 34 113.457 113.457 116.728 -3.271 18480 6191 1 9 . 1 1 34 34 THR HA H 34 4.494 4.494 4.530 -0.036 18480 6192 1 9 . 1 1 34 34 THR C C 34 175.066 175.066 175.605 -0.539 18480 6193 1 9 . 1 1 34 34 THR CA C 34 59.946 59.946 59.691 0.254 18480 6194 1 9 . 1 1 34 34 THR CB C 34 70.967 70.967 70.156 0.812 18480 6195 1 9 . 1 1 34 34 THR H H 34 8.727 8.727 8.093 0.634 18480 6196 1 9 . 1 1 35 35 ALA N N 35 122.737 122.737 123.724 -0.987 18480 6197 1 9 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.039 0.046 18480 6198 1 9 . 1 1 35 35 ALA C C 35 180.755 180.755 179.679 1.076 18480 6199 1 9 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.422 0.101 18480 6200 1 9 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.055 0.015 18480 6201 1 9 . 1 1 35 35 ALA H H 35 8.913 8.913 8.596 0.317 18480 6202 1 9 . 1 1 36 36 SER N N 36 113.331 113.331 113.332 -0.001 18480 6203 1 9 . 1 1 36 36 SER HA H 36 4.244 4.244 4.158 0.086 18480 6204 1 9 . 1 1 36 36 SER C C 36 177.033 177.033 176.911 0.122 18480 6205 1 9 . 1 1 36 36 SER CA C 36 61.453 61.453 61.209 0.244 18480 6206 1 9 . 1 1 36 36 SER CB C 36 62.529 62.529 62.816 -0.286 18480 6207 1 9 . 1 1 36 36 SER H H 36 8.347 8.347 8.339 0.008 18480 6208 1 9 . 1 1 37 37 GLN N N 37 122.548 122.548 120.091 2.457 18480 6209 1 9 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.257 -0.198 18480 6210 1 9 . 1 1 37 37 GLN C C 37 179.149 179.149 178.358 0.791 18480 6211 1 9 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.845 1.122 18480 6212 1 9 . 1 1 37 37 GLN CB C 37 28.021 28.021 29.023 -1.002 18480 6213 1 9 . 1 1 37 37 GLN H H 37 7.500 7.500 7.531 -0.031 18480 6214 1 9 . 1 1 38 38 LEU N N 38 117.948 117.948 119.543 -1.595 18480 6215 1 9 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.042 -0.150 18480 6216 1 9 . 1 1 38 38 LEU C C 38 179.675 179.675 179.275 0.400 18480 6217 1 9 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.538 0.421 18480 6218 1 9 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.520 -0.027 18480 6219 1 9 . 1 1 38 38 LEU H H 38 8.217 8.217 8.771 -0.554 18480 6220 1 9 . 1 1 39 39 ASP N N 39 120.923 120.923 118.635 2.288 18480 6221 1 9 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.384 0.027 18480 6222 1 9 . 1 1 39 39 ASP C C 39 179.224 179.224 176.694 2.530 18480 6223 1 9 . 1 1 39 39 ASP CA C 39 57.606 57.606 56.995 0.611 18480 6224 1 9 . 1 1 39 39 ASP CB C 39 41.828 41.828 41.115 0.713 18480 6225 1 9 . 1 1 39 39 ASP H H 39 8.192 8.192 8.040 0.152 18480 6226 1 9 . 1 1 40 40 ASP N N 40 123.608 123.608 118.462 5.146 18480 6227 1 9 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.556 -0.339 18480 6228 1 9 . 1 1 40 40 ASP C C 40 179.600 179.600 178.745 0.855 18480 6229 1 9 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.043 2.597 18480 6230 1 9 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.707 -2.395 18480 6231 1 9 . 1 1 40 40 ASP H H 40 8.366 8.366 7.586 0.780 18480 6232 1 9 . 1 1 41 41 MET N N 41 118.772 118.772 118.151 0.621 18480 6233 1 9 . 1 1 41 41 MET HA H 41 3.638 3.638 4.248 -0.610 18480 6234 1 9 . 1 1 41 41 MET C C 41 177.693 177.693 177.988 -0.295 18480 6235 1 9 . 1 1 41 41 MET CA C 41 60.513 60.513 58.858 1.655 18480 6236 1 9 . 1 1 41 41 MET CB C 41 34.320 34.320 32.337 1.982 18480 6237 1 9 . 1 1 41 41 MET H H 41 8.423 8.423 7.568 0.855 18480 6238 1 9 . 1 1 42 42 SER N N 42 115.040 115.040 114.959 0.081 18480 6239 1 9 . 1 1 42 42 SER HA H 42 4.168 4.168 4.249 -0.081 18480 6240 1 9 . 1 1 42 42 SER C C 42 177.483 177.483 176.478 1.005 18480 6241 1 9 . 1 1 42 42 SER CA C 42 61.923 61.923 61.533 0.390 18480 6242 1 9 . 1 1 42 42 SER CB C 42 63.084 63.084 62.634 0.450 18480 6243 1 9 . 1 1 42 42 SER H H 42 8.901 8.901 8.315 0.586 18480 6244 1 9 . 1 1 43 43 THR N N 43 118.747 118.747 118.923 -0.176 18480 6245 1 9 . 1 1 43 43 THR HA H 43 3.914 3.914 4.246 -0.332 18480 6246 1 9 . 1 1 43 43 THR C C 43 177.258 177.258 176.513 0.745 18480 6247 1 9 . 1 1 43 43 THR CA C 43 67.017 67.017 66.058 0.959 18480 6248 1 9 . 1 1 43 43 THR CB C 43 69.500 69.500 68.677 0.823 18480 6249 1 9 . 1 1 43 43 THR H H 43 8.479 8.479 7.667 0.812 18480 6250 1 9 . 1 1 44 44 ILE N N 44 121.898 121.898 122.352 -0.454 18480 6251 1 9 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.673 0.030 18480 6252 1 9 . 1 1 44 44 ILE C C 44 178.564 178.564 177.828 0.736 18480 6253 1 9 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.064 -0.999 18480 6254 1 9 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.130 -0.921 18480 6255 1 9 . 1 1 44 44 ILE H H 44 7.807 7.807 7.362 0.445 18480 6256 1 9 . 1 1 45 45 ALA N N 45 124.002 124.002 122.771 1.231 18480 6257 1 9 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.819 0.223 18480 6258 1 9 . 1 1 45 45 ALA C C 45 179.404 179.404 179.324 0.080 18480 6259 1 9 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.596 0.945 18480 6260 1 9 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.404 0.054 18480 6261 1 9 . 1 1 45 45 ALA H H 45 9.145 9.145 8.183 0.962 18480 6262 1 9 . 1 1 46 46 GLN N N 46 115.753 115.753 115.068 0.685 18480 6263 1 9 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.060 -0.037 18480 6264 1 9 . 1 1 46 46 GLN C C 46 179.014 179.014 178.174 0.840 18480 6265 1 9 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.727 1.226 18480 6266 1 9 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.508 -0.108 18480 6267 1 9 . 1 1 46 46 GLN H H 46 8.459 8.459 7.819 0.640 18480 6268 1 9 . 1 1 47 47 SER N N 47 116.041 116.041 117.774 -1.733 18480 6269 1 9 . 1 1 47 47 SER HA H 47 4.258 4.258 4.245 0.013 18480 6270 1 9 . 1 1 47 47 SER C C 47 177.483 177.483 176.424 1.059 18480 6271 1 9 . 1 1 47 47 SER CA C 47 62.328 62.328 61.357 0.971 18480 6272 1 9 . 1 1 47 47 SER CB C 47 63.154 63.154 63.234 -0.080 18480 6273 1 9 . 1 1 47 47 SER H H 47 7.961 7.961 8.084 -0.123 18480 6274 1 9 . 1 1 48 48 MET N N 48 122.349 122.349 119.832 2.517 18480 6275 1 9 . 1 1 48 48 MET HA H 48 4.376 4.376 4.283 0.093 18480 6276 1 9 . 1 1 48 48 MET C C 48 177.798 177.798 178.935 -1.137 18480 6277 1 9 . 1 1 48 48 MET CA C 48 58.198 58.198 57.882 0.316 18480 6278 1 9 . 1 1 48 48 MET CB C 48 32.102 32.102 32.068 0.034 18480 6279 1 9 . 1 1 48 48 MET H H 48 8.508 8.508 8.546 -0.038 18480 6280 1 9 . 1 1 49 49 VAL N N 49 122.061 122.061 114.517 7.544 18480 6281 1 9 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.651 -0.209 18480 6282 1 9 . 1 1 49 49 VAL C C 49 177.910 177.910 177.573 0.337 18480 6283 1 9 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.488 1.435 18480 6284 1 9 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.191 0.568 18480 6285 1 9 . 1 1 49 49 VAL H H 49 8.541 8.541 7.291 1.250 18480 6286 1 9 . 1 1 50 50 GLN N N 50 118.465 118.465 119.442 -0.977 18480 6287 1 9 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.077 -0.020 18480 6288 1 9 . 1 1 50 50 GLN C C 50 179.449 179.449 178.370 1.079 18480 6289 1 9 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.057 -0.032 18480 6290 1 9 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.578 -0.572 18480 6291 1 9 . 1 1 50 50 GLN H H 50 8.165 8.165 7.513 0.652 18480 6292 1 9 . 1 1 51 51 SER N N 51 117.659 117.659 117.361 0.298 18480 6293 1 9 . 1 1 51 51 SER HA H 51 3.854 3.854 4.198 -0.344 18480 6294 1 9 . 1 1 51 51 SER C C 51 176.374 176.374 176.664 -0.290 18480 6295 1 9 . 1 1 51 51 SER CA C 51 62.642 62.642 62.447 0.195 18480 6296 1 9 . 1 1 51 51 SER CB C 51 63.039 63.039 62.807 0.232 18480 6297 1 9 . 1 1 51 51 SER H H 51 8.199 8.199 8.341 -0.142 18480 6298 1 9 . 1 1 52 52 ILE N N 52 122.930 122.930 122.172 0.758 18480 6299 1 9 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.650 -0.270 18480 6300 1 9 . 1 1 52 52 ILE C C 52 178.684 178.684 177.851 0.833 18480 6301 1 9 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.177 1.138 18480 6302 1 9 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.533 0.015 18480 6303 1 9 . 1 1 52 52 ILE H H 52 8.068 8.068 7.830 0.238 18480 6304 1 9 . 1 1 53 53 GLN N N 53 118.774 118.774 118.825 -0.051 18480 6305 1 9 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.956 -0.043 18480 6306 1 9 . 1 1 53 53 GLN C C 53 179.014 179.014 178.784 0.230 18480 6307 1 9 . 1 1 53 53 GLN CA C 53 59.168 59.168 58.722 0.445 18480 6308 1 9 . 1 1 53 53 GLN CB C 53 28.017 28.017 27.851 0.166 18480 6309 1 9 . 1 1 53 53 GLN H H 53 8.459 8.459 8.066 0.393 18480 6310 1 9 . 1 1 54 54 SER N N 54 115.452 115.452 116.757 -1.305 18480 6311 1 9 . 1 1 54 54 SER HA H 54 4.294 4.294 4.213 0.081 18480 6312 1 9 . 1 1 54 54 SER C C 54 176.822 176.822 176.981 -0.159 18480 6313 1 9 . 1 1 54 54 SER CA C 54 61.276 61.276 62.123 -0.847 18480 6314 1 9 . 1 1 54 54 SER CB C 54 62.873 62.873 62.818 0.056 18480 6315 1 9 . 1 1 54 54 SER H H 54 8.330 8.330 8.058 0.272 18480 6316 1 9 . 1 1 55 55 LEU N N 55 121.066 121.066 121.446 -0.380 18480 6317 1 9 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.125 -0.144 18480 6318 1 9 . 1 1 55 55 LEU C C 55 179.434 179.434 178.376 1.058 18480 6319 1 9 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.517 0.459 18480 6320 1 9 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.632 0.974 18480 6321 1 9 . 1 1 55 55 LEU H H 55 8.211 8.211 7.726 0.485 18480 6322 1 9 . 1 1 56 56 ALA N N 56 122.497 122.497 122.578 -0.081 18480 6323 1 9 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.181 -0.032 18480 6324 1 9 . 1 1 56 56 ALA C C 56 180.530 180.530 179.625 0.905 18480 6325 1 9 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.549 0.520 18480 6326 1 9 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.477 -0.514 18480 6327 1 9 . 1 1 56 56 ALA H H 56 8.902 8.902 8.447 0.455 18480 6328 1 9 . 1 1 57 57 ALA N N 57 122.922 122.922 120.002 2.920 18480 6329 1 9 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.091 0.066 18480 6330 1 9 . 1 1 57 57 ALA C C 57 179.344 179.344 179.468 -0.124 18480 6331 1 9 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.288 0.710 18480 6332 1 9 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.533 -0.504 18480 6333 1 9 . 1 1 57 57 ALA H H 57 8.140 8.140 8.294 -0.154 18480 6334 1 9 . 1 1 58 58 GLN N N 58 113.359 113.359 115.526 -2.167 18480 6335 1 9 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.333 0.029 18480 6336 1 9 . 1 1 58 58 GLN C C 58 176.612 176.612 176.294 0.318 18480 6337 1 9 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.454 0.144 18480 6338 1 9 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.443 1.632 18480 6339 1 9 . 1 1 58 58 GLN H H 58 7.415 7.415 7.558 -0.143 18480 6340 1 9 . 1 1 59 59 GLY N N 59 109.012 109.012 107.369 1.643 18480 6341 1 9 . 1 1 59 59 GLY C C 59 174.856 174.856 174.499 0.357 18480 6342 1 9 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.379 1.383 18480 6343 1 9 . 1 1 59 59 GLY H H 59 7.979 7.979 7.589 0.390 18480 6344 1 9 . 1 1 60 60 ARG N N 60 115.906 115.906 117.324 -1.418 18480 6345 1 9 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.610 -0.008 18480 6346 1 9 . 1 1 60 60 ARG C C 60 175.847 175.847 174.997 0.850 18480 6347 1 9 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.882 0.926 18480 6348 1 9 . 1 1 60 60 ARG CB C 60 32.406 32.406 31.033 1.373 18480 6349 1 9 . 1 1 60 60 ARG H H 60 8.126 8.126 8.507 -0.381 18480 6350 1 9 . 1 1 61 61 THR N N 61 107.985 107.985 113.313 -5.328 18480 6351 1 9 . 1 1 61 61 THR HA H 61 4.125 4.125 4.500 -0.375 18480 6352 1 9 . 1 1 61 61 THR C C 61 173.654 173.654 174.060 -0.406 18480 6353 1 9 . 1 1 61 61 THR CA C 61 62.194 62.194 61.362 0.832 18480 6354 1 9 . 1 1 61 61 THR CB C 61 69.512 69.512 69.796 -0.284 18480 6355 1 9 . 1 1 61 61 THR H H 61 7.663 7.663 7.900 -0.237 18480 6356 1 9 . 1 1 62 62 SER N N 62 113.733 113.733 118.457 -4.724 18480 6357 1 9 . 1 1 62 62 SER HA H 62 4.973 4.973 4.940 0.033 18480 6358 1 9 . 1 1 62 62 SER C C 62 173.207 173.207 173.125 0.082 18480 6359 1 9 . 1 1 62 62 SER CA C 62 56.343 56.343 54.786 1.557 18480 6360 1 9 . 1 1 62 62 SER CB C 62 63.992 63.992 64.706 -0.714 18480 6361 1 9 . 1 1 62 62 SER H H 62 7.057 7.057 7.977 -0.920 18480 6362 1 9 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.593 0.109 18480 6363 1 9 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.591 0.709 18480 6364 1 9 . 1 1 63 63 PRO CB C 63 32.236 32.236 31.966 0.270 18480 6365 1 9 . 1 1 64 64 ASN N N 64 114.886 114.886 115.404 -0.518 18480 6366 1 9 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.490 -0.088 18480 6367 1 9 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.116 1.135 18480 6368 1 9 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.753 0.284 18480 6369 1 9 . 1 1 64 64 ASN H H 64 8.642 8.642 8.891 -0.249 18480 6370 1 9 . 1 1 65 65 LYS N N 65 119.774 119.774 121.663 -1.889 18480 6371 1 9 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.204 -0.398 18480 6372 1 9 . 1 1 65 65 LYS C C 65 178.999 178.999 178.266 0.733 18480 6373 1 9 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.324 2.554 18480 6374 1 9 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.504 0.733 18480 6375 1 9 . 1 1 65 65 LYS H H 65 7.882 7.882 7.500 0.382 18480 6376 1 9 . 1 1 66 66 LEU N N 66 117.686 117.686 120.090 -2.404 18480 6377 1 9 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.974 0.048 18480 6378 1 9 . 1 1 66 66 LEU C C 66 178.928 178.928 178.447 0.481 18480 6379 1 9 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.606 0.311 18480 6380 1 9 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.916 -0.383 18480 6381 1 9 . 1 1 66 66 LEU H H 66 8.666 8.666 8.303 0.363 18480 6382 1 9 . 1 1 67 67 GLN N N 67 124.469 124.469 119.645 4.824 18480 6383 1 9 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.840 -0.548 18480 6384 1 9 . 1 1 67 67 GLN C C 67 178.789 178.789 177.879 0.910 18480 6385 1 9 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.685 1.206 18480 6386 1 9 . 1 1 67 67 GLN CB C 67 28.159 28.159 27.822 0.337 18480 6387 1 9 . 1 1 67 67 GLN H H 67 8.997 8.997 8.061 0.936 18480 6388 1 9 . 1 1 68 68 ALA N N 68 121.986 121.986 120.519 1.467 18480 6389 1 9 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.061 -0.251 18480 6390 1 9 . 1 1 68 68 ALA C C 68 180.320 180.320 179.651 0.669 18480 6391 1 9 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.529 0.974 18480 6392 1 9 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.188 0.024 18480 6393 1 9 . 1 1 68 68 ALA H H 68 7.427 7.427 7.533 -0.106 18480 6394 1 9 . 1 1 69 69 LEU N N 69 118.881 118.881 118.281 0.600 18480 6395 1 9 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.086 -0.034 18480 6396 1 9 . 1 1 69 69 LEU C C 69 178.864 178.864 178.713 0.151 18480 6397 1 9 . 1 1 69 69 LEU CA C 69 57.747 57.747 57.051 0.696 18480 6398 1 9 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.858 0.036 18480 6399 1 9 . 1 1 69 69 LEU H H 69 8.143 8.143 7.956 0.187 18480 6400 1 9 . 1 1 70 70 ASN N N 70 119.848 119.848 119.520 0.328 18480 6401 1 9 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.526 -0.135 18480 6402 1 9 . 1 1 70 70 ASN C C 70 177.483 177.483 177.802 -0.319 18480 6403 1 9 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.652 1.132 18480 6404 1 9 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.275 1.197 18480 6405 1 9 . 1 1 70 70 ASN H H 70 8.456 8.456 7.891 0.565 18480 6406 1 9 . 1 1 71 71 MET N N 71 118.843 118.843 118.310 0.533 18480 6407 1 9 . 1 1 71 71 MET HA H 71 4.769 4.769 4.443 0.326 18480 6408 1 9 . 1 1 71 71 MET C C 71 178.279 178.279 178.302 -0.023 18480 6409 1 9 . 1 1 71 71 MET CA C 71 56.415 56.415 56.878 -0.463 18480 6410 1 9 . 1 1 71 71 MET CB C 71 29.788 29.788 31.337 -1.549 18480 6411 1 9 . 1 1 71 71 MET H H 71 7.757 7.757 8.039 -0.282 18480 6412 1 9 . 1 1 72 72 ALA N N 72 126.265 126.265 124.349 1.916 18480 6413 1 9 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.180 0.062 18480 6414 1 9 . 1 1 72 72 ALA C C 72 179.059 179.059 179.744 -0.685 18480 6415 1 9 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.020 0.106 18480 6416 1 9 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.231 0.692 18480 6417 1 9 . 1 1 72 72 ALA H H 72 8.559 8.559 7.876 0.683 18480 6418 1 9 . 1 1 73 73 PHE N N 73 118.887 118.887 120.555 -1.668 18480 6419 1 9 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.376 -0.313 18480 6420 1 9 . 1 1 73 73 PHE C C 73 177.258 177.258 178.201 -0.943 18480 6421 1 9 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.221 0.851 18480 6422 1 9 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.208 0.097 18480 6423 1 9 . 1 1 73 73 PHE H H 73 8.337 8.337 8.514 -0.177 18480 6424 1 9 . 1 1 74 74 ALA N N 74 122.360 122.360 121.492 0.868 18480 6425 1 9 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.761 -0.530 18480 6426 1 9 . 1 1 74 74 ALA C C 74 179.374 179.374 178.500 0.874 18480 6427 1 9 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.799 1.017 18480 6428 1 9 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.520 0.361 18480 6429 1 9 . 1 1 74 74 ALA H H 74 8.540 8.540 8.306 0.234 18480 6430 1 9 . 1 1 75 75 SER N N 75 112.265 112.265 111.724 0.541 18480 6431 1 9 . 1 1 75 75 SER HA H 75 3.858 3.858 4.369 -0.511 18480 6432 1 9 . 1 1 75 75 SER CA C 75 62.251 62.251 60.558 1.693 18480 6433 1 9 . 1 1 75 75 SER CB C 75 62.874 62.874 63.867 -0.993 18480 6434 1 9 . 1 1 75 75 SER H H 75 8.859 8.859 7.982 0.877 18480 6435 1 9 . 1 1 76 76 SER N N 76 118.859 118.859 117.905 0.954 18480 6436 1 9 . 1 1 76 76 SER HA H 76 3.964 3.964 4.394 -0.430 18480 6437 1 9 . 1 1 76 76 SER CA C 76 63.066 63.066 60.501 2.565 18480 6438 1 9 . 1 1 76 76 SER CB C 76 63.377 63.377 62.635 0.742 18480 6439 1 9 . 1 1 76 76 SER H H 76 8.065 8.065 8.018 0.047 18480 6440 1 9 . 1 1 77 77 MET N N 77 120.030 120.030 118.184 1.846 18480 6441 1 9 . 1 1 77 77 MET HA H 77 4.234 4.234 4.576 -0.342 18480 6442 1 9 . 1 1 77 77 MET C C 77 178.354 178.354 176.696 1.658 18480 6443 1 9 . 1 1 77 77 MET CA C 77 57.167 57.167 55.330 1.837 18480 6444 1 9 . 1 1 77 77 MET CB C 77 32.728 32.728 32.714 0.014 18480 6445 1 9 . 1 1 77 77 MET H H 77 7.397 7.397 7.408 -0.011 18480 6446 1 9 . 1 1 78 78 ALA N N 78 119.880 119.880 123.107 -3.227 18480 6447 1 9 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.214 -0.311 18480 6448 1 9 . 1 1 78 78 ALA C C 78 178.354 178.354 179.359 -1.005 18480 6449 1 9 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.673 -0.533 18480 6450 1 9 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.690 0.411 18480 6451 1 9 . 1 1 78 78 ALA H H 78 7.908 7.908 7.563 0.345 18480 6452 1 9 . 1 1 79 79 GLU N N 79 117.907 117.907 117.104 0.803 18480 6453 1 9 . 1 1 79 79 GLU HA H 79 3.939 3.939 4.124 -0.185 18480 6454 1 9 . 1 1 79 79 GLU C C 79 178.894 178.894 177.893 1.001 18480 6455 1 9 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.462 1.238 18480 6456 1 9 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.538 1.109 18480 6457 1 9 . 1 1 79 79 GLU H H 79 8.576 8.576 7.596 0.980 18480 6458 1 9 . 1 1 80 80 ILE N N 80 121.918 121.918 118.299 3.619 18480 6459 1 9 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.831 -0.229 18480 6460 1 9 . 1 1 80 80 ILE C C 80 179.014 179.014 177.715 1.299 18480 6461 1 9 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.457 0.674 18480 6462 1 9 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.709 -0.084 18480 6463 1 9 . 1 1 80 80 ILE H H 80 8.065 8.065 7.592 0.473 18480 6464 1 9 . 1 1 81 81 ALA N N 81 120.266 120.266 122.228 -1.962 18480 6465 1 9 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.431 -0.283 18480 6466 1 9 . 1 1 81 81 ALA C C 81 177.258 177.258 178.733 -1.475 18480 6467 1 9 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.582 0.558 18480 6468 1 9 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.969 0.186 18480 6469 1 9 . 1 1 81 81 ALA H H 81 8.169 8.169 7.640 0.529 18480 6470 1 9 . 1 1 82 82 ALA N N 82 114.813 114.813 117.398 -2.585 18480 6471 1 9 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.251 -0.200 18480 6472 1 9 . 1 1 82 82 ALA C C 82 177.693 177.693 177.976 -0.283 18480 6473 1 9 . 1 1 82 82 ALA CA C 82 53.767 53.767 53.751 0.016 18480 6474 1 9 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.088 2.911 18480 6475 1 9 . 1 1 82 82 ALA H H 82 8.019 8.019 8.296 -0.277 18480 6476 1 9 . 1 1 83 83 SER N N 83 110.140 110.140 113.001 -2.861 18480 6477 1 9 . 1 1 83 83 SER HA H 83 4.415 4.415 4.543 -0.128 18480 6478 1 9 . 1 1 83 83 SER C C 83 174.856 174.856 174.602 0.254 18480 6479 1 9 . 1 1 83 83 SER CA C 83 59.772 59.772 58.472 1.300 18480 6480 1 9 . 1 1 83 83 SER CB C 83 64.952 64.952 64.173 0.779 18480 6481 1 9 . 1 1 83 83 SER H H 83 7.823 7.823 7.511 0.312 18480 6482 1 9 . 1 1 84 84 GLU N N 84 120.696 120.696 120.656 0.040 18480 6483 1 9 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.676 -0.175 18480 6484 1 9 . 1 1 84 84 GLU C C 84 176.597 176.597 174.522 2.075 18480 6485 1 9 . 1 1 84 84 GLU CA C 84 56.596 56.596 54.683 1.913 18480 6486 1 9 . 1 1 84 84 GLU CB C 84 28.537 28.537 32.912 -4.375 18480 6487 1 9 . 1 1 84 84 GLU H H 84 7.666 7.666 7.984 -0.318 18480 6488 1 9 . 1 1 85 85 GLU N N 85 124.951 124.951 118.598 6.353 18480 6489 1 9 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.379 -0.117 18480 6490 1 9 . 1 1 85 85 GLU C C 85 177.258 177.258 175.230 2.028 18480 6491 1 9 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.023 1.822 18480 6492 1 9 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.477 -1.674 18480 6493 1 9 . 1 1 85 85 GLU H H 85 8.735 8.735 8.366 0.369 18480 6494 1 9 . 1 1 86 86 GLY N N 86 110.356 110.356 106.755 3.601 18480 6495 1 9 . 1 1 86 86 GLY C C 86 174.856 174.856 173.925 0.931 18480 6496 1 9 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.364 0.026 18480 6497 1 9 . 1 1 86 86 GLY H H 86 8.609 8.609 8.753 -0.144 18480 6498 1 9 . 1 1 87 87 GLY N N 87 107.569 107.569 107.897 -0.328 18480 6499 1 9 . 1 1 87 87 GLY C C 87 174.436 174.436 173.326 1.110 18480 6500 1 9 . 1 1 87 87 GLY CA C 87 44.260 44.260 45.292 -1.032 18480 6501 1 9 . 1 1 87 87 GLY H H 87 7.931 7.931 7.547 0.384 18480 6502 1 9 . 1 1 88 88 GLY N N 88 109.889 109.889 109.540 0.349 18480 6503 1 9 . 1 1 88 88 GLY C C 88 173.325 173.325 174.357 -1.032 18480 6504 1 9 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.840 0.326 18480 6505 1 9 . 1 1 88 88 GLY H H 88 8.650 8.650 8.159 0.491 18480 6506 1 9 . 1 1 89 89 SER N N 89 114.731 114.731 119.060 -4.329 18480 6507 1 9 . 1 1 89 89 SER HA H 89 4.411 4.411 4.478 -0.067 18480 6508 1 9 . 1 1 89 89 SER C C 89 175.066 175.066 175.981 -0.915 18480 6509 1 9 . 1 1 89 89 SER CA C 89 57.363 57.363 58.301 -0.938 18480 6510 1 9 . 1 1 89 89 SER CB C 89 62.483 62.483 64.182 -1.699 18480 6511 1 9 . 1 1 89 89 SER H H 89 8.640 8.640 8.253 0.387 18480 6512 1 9 . 1 1 90 90 LEU N N 90 123.210 123.210 124.628 -1.418 18480 6513 1 9 . 1 1 90 90 LEU HA H 90 3.975 3.975 3.963 0.012 18480 6514 1 9 . 1 1 90 90 LEU C C 90 179.434 179.434 178.945 0.489 18480 6515 1 9 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.832 -0.489 18480 6516 1 9 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.925 -0.562 18480 6517 1 9 . 1 1 90 90 LEU H H 90 8.976 8.976 8.848 0.128 18480 6518 1 9 . 1 1 91 91 SER N N 91 115.789 115.789 112.655 3.134 18480 6519 1 9 . 1 1 91 91 SER HA H 91 4.149 4.149 4.127 0.022 18480 6520 1 9 . 1 1 91 91 SER C C 91 177.325 177.325 176.387 0.938 18480 6521 1 9 . 1 1 91 91 SER CA C 91 61.794 61.794 61.530 0.264 18480 6522 1 9 . 1 1 91 91 SER CB C 91 62.276 62.276 62.666 -0.390 18480 6523 1 9 . 1 1 91 91 SER H H 91 8.612 8.612 8.396 0.216 18480 6524 1 9 . 1 1 92 92 THR N N 92 122.677 122.677 118.278 4.399 18480 6525 1 9 . 1 1 92 92 THR HA H 92 3.919 3.919 4.074 -0.155 18480 6526 1 9 . 1 1 92 92 THR C C 92 176.162 176.162 176.410 -0.248 18480 6527 1 9 . 1 1 92 92 THR CA C 92 66.719 66.719 65.994 0.725 18480 6528 1 9 . 1 1 92 92 THR CB C 92 68.236 68.236 68.905 -0.669 18480 6529 1 9 . 1 1 92 92 THR H H 92 7.871 7.871 7.330 0.541 18480 6530 1 9 . 1 1 93 93 LYS N N 93 119.820 119.820 119.241 0.579 18480 6531 1 9 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.397 -0.828 18480 6532 1 9 . 1 1 93 93 LYS CA C 93 60.652 60.652 58.328 2.324 18480 6533 1 9 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.695 2.033 18480 6534 1 9 . 1 1 93 93 LYS H H 93 8.263 8.263 7.883 0.380 18480 6535 1 9 . 1 1 94 94 THR N N 94 113.759 113.759 117.057 -3.298 18480 6536 1 9 . 1 1 94 94 THR HA H 94 3.692 3.692 4.229 -0.537 18480 6537 1 9 . 1 1 94 94 THR C C 94 177.033 177.033 176.133 0.900 18480 6538 1 9 . 1 1 94 94 THR CA C 94 68.122 68.122 66.886 1.236 18480 6539 1 9 . 1 1 94 94 THR CB C 94 68.342 68.342 68.352 -0.010 18480 6540 1 9 . 1 1 94 94 THR H H 94 8.448 8.448 7.960 0.488 18480 6541 1 9 . 1 1 95 95 SER N N 95 117.547 117.547 116.753 0.794 18480 6542 1 9 . 1 1 95 95 SER HA H 95 4.262 4.262 4.426 -0.164 18480 6543 1 9 . 1 1 95 95 SER C C 95 177.828 177.828 176.507 1.321 18480 6544 1 9 . 1 1 95 95 SER CA C 95 61.758 61.758 60.617 1.141 18480 6545 1 9 . 1 1 95 95 SER CB C 95 62.667 62.667 62.537 0.130 18480 6546 1 9 . 1 1 95 95 SER H H 95 8.173 8.173 7.801 0.372 18480 6547 1 9 . 1 1 96 96 SER N N 96 121.366 121.366 118.957 2.409 18480 6548 1 9 . 1 1 96 96 SER HA H 96 4.035 4.035 4.260 -0.225 18480 6549 1 9 . 1 1 96 96 SER CA C 96 62.467 62.467 62.196 0.271 18480 6550 1 9 . 1 1 96 96 SER CB C 96 61.755 61.755 63.110 -1.355 18480 6551 1 9 . 1 1 96 96 SER H H 96 8.830 8.830 7.570 1.260 18480 6552 1 9 . 1 1 97 97 ILE N N 97 121.943 121.943 122.027 -0.084 18480 6553 1 9 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.840 -0.031 18480 6554 1 9 . 1 1 97 97 ILE C C 97 177.693 177.693 177.742 -0.049 18480 6555 1 9 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.216 0.826 18480 6556 1 9 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.762 -0.226 18480 6557 1 9 . 1 1 97 97 ILE H H 97 8.380 8.380 7.553 0.827 18480 6558 1 9 . 1 1 98 98 ALA N N 98 122.507 122.507 122.482 0.025 18480 6559 1 9 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.061 -0.021 18480 6560 1 9 . 1 1 98 98 ALA C C 98 180.740 180.740 179.747 0.993 18480 6561 1 9 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.601 0.787 18480 6562 1 9 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.025 0.129 18480 6563 1 9 . 1 1 98 98 ALA H H 98 8.624 8.624 7.764 0.860 18480 6564 1 9 . 1 1 99 99 SER N N 99 115.850 115.850 115.243 0.607 18480 6565 1 9 . 1 1 99 99 SER HA H 99 4.325 4.325 4.367 -0.042 18480 6566 1 9 . 1 1 99 99 SER C C 99 177.168 177.168 177.026 0.142 18480 6567 1 9 . 1 1 99 99 SER CA C 99 61.867 61.867 61.077 0.790 18480 6568 1 9 . 1 1 99 99 SER CB C 99 63.200 63.200 62.909 0.291 18480 6569 1 9 . 1 1 99 99 SER H H 99 8.667 8.667 8.576 0.091 18480 6570 1 9 . 1 1 100 100 ALA N N 100 124.410 124.410 125.650 -1.240 18480 6571 1 9 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.762 -0.620 18480 6572 1 9 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.641 0.748 18480 6573 1 9 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.382 0.245 18480 6574 1 9 . 1 1 100 100 ALA H H 100 8.744 8.744 7.929 0.815 18480 6575 1 9 . 1 1 101 101 MET N N 101 119.346 119.346 118.398 0.948 18480 6576 1 9 . 1 1 101 101 MET HA H 101 4.368 4.368 4.335 0.033 18480 6577 1 9 . 1 1 101 101 MET CA C 101 59.163 59.163 57.528 1.635 18480 6578 1 9 . 1 1 101 101 MET CB C 101 33.233 33.233 32.221 1.012 18480 6579 1 9 . 1 1 101 101 MET H H 101 9.152 9.152 8.775 0.377 18480 6580 1 9 . 1 1 102 102 SER N N 102 117.124 117.124 114.901 2.223 18480 6581 1 9 . 1 1 102 102 SER HA H 102 4.382 4.382 4.491 -0.109 18480 6582 1 9 . 1 1 102 102 SER CA C 102 63.424 63.424 61.942 1.482 18480 6583 1 9 . 1 1 102 102 SER CB C 102 62.639 62.639 62.649 -0.010 18480 6584 1 9 . 1 1 102 102 SER H H 102 8.766 8.766 8.625 0.141 18480 6585 1 9 . 1 1 103 103 ASN N N 103 118.601 118.601 119.357 -0.756 18480 6586 1 9 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.647 -0.181 18480 6587 1 9 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.464 1.175 18480 6588 1 9 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.407 -0.100 18480 6589 1 9 . 1 1 103 103 ASN H H 103 8.298 8.298 8.044 0.254 18480 6590 1 9 . 1 1 104 104 ALA N N 104 122.821 122.821 123.193 -0.372 18480 6591 1 9 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.024 0.215 18480 6592 1 9 . 1 1 104 104 ALA C C 104 181.701 181.701 179.259 2.442 18480 6593 1 9 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.837 0.435 18480 6594 1 9 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.284 -0.110 18480 6595 1 9 . 1 1 104 104 ALA H H 104 7.969 7.969 7.499 0.470 18480 6596 1 9 . 1 1 105 105 PHE N N 105 119.585 119.585 117.177 2.408 18480 6597 1 9 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.533 -0.325 18480 6598 1 9 . 1 1 105 105 PHE C C 105 179.224 179.224 178.122 1.102 18480 6599 1 9 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.168 2.954 18480 6600 1 9 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.839 0.728 18480 6601 1 9 . 1 1 105 105 PHE H H 105 8.647 8.647 7.844 0.803 18480 6602 1 9 . 1 1 106 106 LEU N N 106 121.925 121.925 116.724 5.201 18480 6603 1 9 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.131 -0.432 18480 6604 1 9 . 1 1 106 106 LEU C C 106 179.074 179.074 179.032 0.042 18480 6605 1 9 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.989 2.067 18480 6606 1 9 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.212 0.250 18480 6607 1 9 . 1 1 106 106 LEU H H 106 8.450 8.450 7.680 0.770 18480 6608 1 9 . 1 1 107 107 GLN N N 107 115.214 115.214 118.375 -3.161 18480 6609 1 9 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.286 -0.184 18480 6610 1 9 . 1 1 107 107 GLN C C 107 176.822 176.822 177.765 -0.943 18480 6611 1 9 . 1 1 107 107 GLN CA C 107 57.586 57.586 58.116 -0.530 18480 6612 1 9 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.649 0.630 18480 6613 1 9 . 1 1 107 107 GLN H H 107 8.444 8.444 7.963 0.481 18480 6614 1 9 . 1 1 108 108 THR N N 108 109.014 109.014 114.467 -5.453 18480 6615 1 9 . 1 1 108 108 THR HA H 108 4.369 4.369 4.243 0.126 18480 6616 1 9 . 1 1 108 108 THR C C 108 175.952 175.952 176.473 -0.521 18480 6617 1 9 . 1 1 108 108 THR CA C 108 63.658 63.658 64.779 -1.121 18480 6618 1 9 . 1 1 108 108 THR CB C 108 70.179 70.179 68.796 1.383 18480 6619 1 9 . 1 1 108 108 THR H H 108 7.631 7.631 7.927 -0.296 18480 6620 1 9 . 1 1 109 109 THR N N 109 110.844 110.844 113.004 -2.160 18480 6621 1 9 . 1 1 109 109 THR HA H 109 4.477 4.477 4.370 0.107 18480 6622 1 9 . 1 1 109 109 THR C C 109 176.162 176.162 176.361 -0.199 18480 6623 1 9 . 1 1 109 109 THR CA C 109 61.728 61.728 62.362 -0.634 18480 6624 1 9 . 1 1 109 109 THR CB C 109 70.659 70.659 70.009 0.650 18480 6625 1 9 . 1 1 109 109 THR H H 109 8.623 8.623 7.787 0.836 18480 6626 1 9 . 1 1 110 110 GLY N N 110 109.549 109.549 109.377 0.172 18480 6627 1 9 . 1 1 110 110 GLY C C 110 172.889 172.889 173.300 -0.411 18480 6628 1 9 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.929 0.613 18480 6629 1 9 . 1 1 110 110 GLY H H 110 8.113 8.113 8.319 -0.206 18480 6630 1 9 . 1 1 111 111 VAL N N 111 118.903 118.903 120.254 -1.351 18480 6631 1 9 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.569 -0.313 18480 6632 1 9 . 1 1 111 111 VAL C C 111 174.421 174.421 174.321 0.100 18480 6633 1 9 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.256 0.505 18480 6634 1 9 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.395 0.115 18480 6635 1 9 . 1 1 111 111 VAL H H 111 7.724 7.724 7.602 0.122 18480 6636 1 9 . 1 1 112 112 VAL N N 112 124.398 124.398 124.907 -0.509 18480 6637 1 9 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.094 -0.861 18480 6638 1 9 . 1 1 112 112 VAL C C 112 174.646 174.646 174.527 0.119 18480 6639 1 9 . 1 1 112 112 VAL CA C 112 63.735 63.735 61.034 2.701 18480 6640 1 9 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.251 -0.445 18480 6641 1 9 . 1 1 112 112 VAL H H 112 8.627 8.627 8.305 0.322 18480 6642 1 9 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.681 -0.112 18480 6643 1 9 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.364 -1.157 18480 6644 1 9 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.115 -0.734 18480 6645 1 9 . 1 1 114 114 GLN N N 114 125.364 125.364 127.316 -1.952 18480 6646 1 9 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.256 -0.316 18480 6647 1 9 . 1 1 114 114 GLN C C 114 174.811 174.811 175.287 -0.476 18480 6648 1 9 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.244 -1.608 18480 6649 1 9 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.542 -1.450 18480 6650 1 9 . 1 1 114 114 GLN H H 114 8.731 8.731 8.744 -0.013 18480 6651 1 9 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.146 0.122 18480 6652 1 9 . 1 1 115 115 PRO CA C 115 66.661 66.661 66.320 0.341 18480 6653 1 9 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.310 -0.113 18480 6654 1 9 . 1 1 116 116 PHE N N 116 118.102 118.102 118.755 -0.653 18480 6655 1 9 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.141 0.120 18480 6656 1 9 . 1 1 116 116 PHE C C 116 176.597 176.597 177.434 -0.837 18480 6657 1 9 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.711 -0.421 18480 6658 1 9 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.303 0.278 18480 6659 1 9 . 1 1 116 116 PHE H H 116 7.712 7.712 8.548 -0.836 18480 6660 1 9 . 1 1 117 117 ILE N N 117 118.950 118.950 118.396 0.554 18480 6661 1 9 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.759 -0.105 18480 6662 1 9 . 1 1 117 117 ILE C C 117 178.789 178.789 178.348 0.441 18480 6663 1 9 . 1 1 117 117 ILE CA C 117 64.640 64.640 64.079 0.561 18480 6664 1 9 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.677 -0.163 18480 6665 1 9 . 1 1 117 117 ILE H H 117 7.747 7.747 7.762 -0.015 18480 6666 1 9 . 1 1 118 118 ASN N N 118 119.204 119.204 118.577 0.627 18480 6667 1 9 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.460 -0.093 18480 6668 1 9 . 1 1 118 118 ASN C C 118 177.033 177.033 178.119 -1.086 18480 6669 1 9 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.134 -0.353 18480 6670 1 9 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.013 -0.528 18480 6671 1 9 . 1 1 118 118 ASN H H 118 8.847 8.847 8.490 0.357 18480 6672 1 9 . 1 1 119 119 GLU N N 119 120.684 120.684 119.673 1.011 18480 6673 1 9 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.059 -0.094 18480 6674 1 9 . 1 1 119 119 GLU C C 119 178.564 178.564 178.661 -0.097 18480 6675 1 9 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.478 0.636 18480 6676 1 9 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.804 -0.286 18480 6677 1 9 . 1 1 119 119 GLU H H 119 8.081 8.081 7.893 0.188 18480 6678 1 9 . 1 1 120 120 ILE N N 120 118.037 118.037 118.217 -0.180 18480 6679 1 9 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.770 -0.198 18480 6680 1 9 . 1 1 120 120 ILE C C 120 178.279 178.279 177.976 0.303 18480 6681 1 9 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.823 -0.725 18480 6682 1 9 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.233 -0.981 18480 6683 1 9 . 1 1 120 120 ILE H H 120 7.948 7.948 7.659 0.289 18480 6684 1 9 . 1 1 121 121 THR N N 121 113.671 113.671 112.207 1.464 18480 6685 1 9 . 1 1 121 121 THR HA H 121 3.804 3.804 4.006 -0.202 18480 6686 1 9 . 1 1 121 121 THR C C 121 177.258 177.258 176.715 0.543 18480 6687 1 9 . 1 1 121 121 THR CA C 121 66.771 66.771 66.212 0.559 18480 6688 1 9 . 1 1 121 121 THR CB C 121 68.293 68.293 68.248 0.045 18480 6689 1 9 . 1 1 121 121 THR H H 121 8.345 8.345 7.713 0.632 18480 6690 1 9 . 1 1 122 122 GLN N N 122 121.849 121.849 120.494 1.355 18480 6691 1 9 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.076 -0.077 18480 6692 1 9 . 1 1 122 122 GLN C C 122 179.014 179.014 177.211 1.803 18480 6693 1 9 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.164 0.602 18480 6694 1 9 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.189 0.243 18480 6695 1 9 . 1 1 122 122 GLN H H 122 7.589 7.589 7.479 0.110 18480 6696 1 9 . 1 1 123 123 LEU N N 123 120.855 120.855 117.233 3.622 18480 6697 1 9 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.807 -0.389 18480 6698 1 9 . 1 1 123 123 LEU C C 123 178.354 178.354 178.756 -0.402 18480 6699 1 9 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.253 0.563 18480 6700 1 9 . 1 1 123 123 LEU CB C 123 40.851 40.851 42.032 -1.181 18480 6701 1 9 . 1 1 123 123 LEU H H 123 8.081 8.081 7.256 0.825 18480 6702 1 9 . 1 1 124 124 VAL N N 124 115.864 115.864 117.033 -1.169 18480 6703 1 9 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.864 -0.514 18480 6704 1 9 . 1 1 124 124 VAL C C 124 177.453 177.453 177.990 -0.537 18480 6705 1 9 . 1 1 124 124 VAL CA C 124 67.473 67.473 65.854 1.619 18480 6706 1 9 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.653 -0.047 18480 6707 1 9 . 1 1 124 124 VAL H H 124 7.574 7.574 7.710 -0.136 18480 6708 1 9 . 1 1 125 125 SER N N 125 110.334 110.334 112.902 -2.568 18480 6709 1 9 . 1 1 125 125 SER HA H 125 4.054 4.054 4.468 -0.414 18480 6710 1 9 . 1 1 125 125 SER C C 125 175.937 175.937 174.001 1.936 18480 6711 1 9 . 1 1 125 125 SER CA C 125 61.763 61.763 58.934 2.829 18480 6712 1 9 . 1 1 125 125 SER CB C 125 62.864 62.864 61.937 0.927 18480 6713 1 9 . 1 1 125 125 SER H H 125 6.950 6.950 7.546 -0.596 18480 6714 1 9 . 1 1 126 126 MET N N 126 121.750 121.750 116.981 4.769 18480 6715 1 9 . 1 1 126 126 MET HA H 126 3.951 3.951 4.537 -0.586 18480 6716 1 9 . 1 1 126 126 MET C C 126 179.254 179.254 177.283 1.971 18480 6717 1 9 . 1 1 126 126 MET CA C 126 59.246 59.246 57.489 1.757 18480 6718 1 9 . 1 1 126 126 MET CB C 126 33.265 33.265 33.120 0.145 18480 6719 1 9 . 1 1 126 126 MET H H 126 8.113 8.113 7.499 0.614 18480 6720 1 9 . 1 1 127 127 PHE N N 127 118.909 118.909 119.415 -0.506 18480 6721 1 9 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.286 0.357 18480 6722 1 9 . 1 1 127 127 PHE C C 127 178.128 178.128 177.356 0.772 18480 6723 1 9 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.672 -3.913 18480 6724 1 9 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.583 -0.522 18480 6725 1 9 . 1 1 127 127 PHE H H 127 8.791 8.791 7.541 1.250 18480 6726 1 9 . 1 1 128 128 ALA N N 128 122.620 122.620 122.138 0.482 18480 6727 1 9 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.348 -0.172 18480 6728 1 9 . 1 1 128 128 ALA C C 128 178.789 178.789 178.901 -0.112 18480 6729 1 9 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.660 0.005 18480 6730 1 9 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.401 0.764 18480 6731 1 9 . 1 1 128 128 ALA H H 128 8.235 8.235 7.947 0.288 18480 6732 1 9 . 1 1 129 129 GLN N N 129 116.507 116.507 116.952 -0.445 18480 6733 1 9 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.204 0.021 18480 6734 1 9 . 1 1 129 129 GLN C C 129 177.258 177.258 177.941 -0.683 18480 6735 1 9 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.735 -0.717 18480 6736 1 9 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.717 0.408 18480 6737 1 9 . 1 1 129 129 GLN H H 129 7.715 7.715 7.745 -0.030 18480 6738 1 9 . 1 1 130 130 ALA N N 130 122.020 122.020 121.154 0.866 18480 6739 1 9 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.237 -0.017 18480 6740 1 9 . 1 1 130 130 ALA C C 130 178.564 178.564 178.797 -0.233 18480 6741 1 9 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.197 0.609 18480 6742 1 9 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.166 -0.206 18480 6743 1 9 . 1 1 130 130 ALA H H 130 7.775 7.775 7.396 0.379 18480 6744 1 9 . 1 1 131 131 GLY N N 131 106.006 106.006 106.322 -0.316 18480 6745 1 9 . 1 1 131 131 GLY C C 131 173.970 173.970 175.360 -1.390 18480 6746 1 9 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.212 -0.099 18480 6747 1 9 . 1 1 131 131 GLY H H 131 8.110 8.110 8.443 -0.333 18480 6748 1 9 . 1 1 132 132 MET N N 132 118.637 118.637 116.725 1.912 18480 6749 1 9 . 1 1 132 132 MET HA H 132 4.401 4.401 4.467 -0.066 18480 6750 1 9 . 1 1 132 132 MET C C 132 175.952 175.952 175.893 0.059 18480 6751 1 9 . 1 1 132 132 MET CA C 132 56.375 56.375 55.694 0.681 18480 6752 1 9 . 1 1 132 132 MET CB C 132 32.939 32.939 31.032 1.907 18480 6753 1 9 . 1 1 132 132 MET H H 132 7.945 7.945 8.178 -0.233 18480 6754 1 9 . 1 1 133 133 ASN N N 133 117.955 117.955 117.448 0.507 18480 6755 1 9 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.585 0.186 18480 6756 1 9 . 1 1 133 133 ASN C C 133 174.646 174.646 176.125 -1.479 18480 6757 1 9 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.861 -0.373 18480 6758 1 9 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.279 1.097 18480 6759 1 9 . 1 1 133 133 ASN H H 133 8.283 8.283 8.038 0.245 18480 6760 1 9 . 1 1 134 134 ASP N N 134 120.891 120.891 120.972 -0.081 18480 6761 1 9 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.492 0.127 18480 6762 1 9 . 1 1 134 134 ASP C C 134 176.162 176.162 177.279 -1.117 18480 6763 1 9 . 1 1 134 134 ASP CA C 134 54.401 54.401 56.034 -1.633 18480 6764 1 9 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.893 -0.720 18480 6765 1 9 . 1 1 134 134 ASP H H 134 8.192 8.192 7.418 0.774 18480 6766 1 9 . 1 1 135 135 VAL N N 135 119.737 119.737 116.080 3.657 18480 6767 1 9 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.660 0.520 18480 6768 1 9 . 1 1 135 135 VAL C C 135 176.162 176.162 175.596 0.566 18480 6769 1 9 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.836 -1.690 18480 6770 1 9 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.987 2.743 18480 6771 1 9 . 1 1 135 135 VAL H H 135 8.056 8.056 8.103 -0.047 18480 6772 1 9 . 1 1 136 136 SER N N 136 119.689 119.689 110.404 9.285 18480 6773 1 9 . 1 1 136 136 SER HA H 136 4.427 4.427 4.027 0.400 18480 6774 1 9 . 1 1 136 136 SER C C 136 173.325 173.325 173.950 -0.625 18480 6775 1 9 . 1 1 136 136 SER CA C 136 58.351 58.351 59.590 -1.239 18480 6776 1 9 . 1 1 136 136 SER CB C 136 64.031 64.031 62.144 1.887 18480 6777 1 9 . 1 1 136 136 SER H H 136 8.355 8.355 8.975 -0.620 18480 6778 1 10 . 1 1 3 3 GLY N N 3 110.996 110.996 113.934 -2.938 18480 6779 1 10 . 1 1 3 3 GLY CA C 3 45.476 45.476 45.874 -0.398 18480 6780 1 10 . 1 1 3 3 GLY H H 3 8.591 8.591 8.752 -0.161 18480 6781 1 10 . 1 1 4 4 ASN N N 4 118.637 118.637 120.621 -1.984 18480 6782 1 10 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.361 0.367 18480 6783 1 10 . 1 1 4 4 ASN CA C 4 53.170 53.170 54.881 -1.711 18480 6784 1 10 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.527 0.537 18480 6785 1 10 . 1 1 4 4 ASN H H 4 8.318 8.318 8.658 -0.340 18480 6786 1 10 . 1 1 5 5 SER N N 5 116.285 116.285 115.802 0.483 18480 6787 1 10 . 1 1 5 5 SER HA H 5 4.352 4.352 4.445 -0.093 18480 6788 1 10 . 1 1 5 5 SER CA C 5 58.593 58.593 56.930 1.663 18480 6789 1 10 . 1 1 5 5 SER CB C 5 63.633 63.633 61.670 1.962 18480 6790 1 10 . 1 1 5 5 SER H H 5 8.280 8.280 8.171 0.109 18480 6791 1 10 . 1 1 6 6 HIS N N 6 119.777 119.777 121.521 -1.744 18480 6792 1 10 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.857 -0.119 18480 6793 1 10 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.143 0.201 18480 6794 1 10 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.822 -1.494 18480 6795 1 10 . 1 1 6 6 HIS H H 6 8.460 8.460 7.333 1.127 18480 6796 1 10 . 1 1 7 7 THR N N 7 115.111 115.111 115.784 -0.673 18480 6797 1 10 . 1 1 7 7 THR HA H 7 4.217 4.217 4.550 -0.333 18480 6798 1 10 . 1 1 7 7 THR C C 7 173.970 173.970 173.775 0.195 18480 6799 1 10 . 1 1 7 7 THR CA C 7 62.118 62.118 60.953 1.165 18480 6800 1 10 . 1 1 7 7 THR CB C 7 69.871 69.871 70.310 -0.439 18480 6801 1 10 . 1 1 7 7 THR H H 7 8.202 8.202 8.251 -0.049 18480 6802 1 10 . 1 1 8 8 THR N N 8 113.695 113.695 113.992 -0.297 18480 6803 1 10 . 1 1 8 8 THR HA H 8 4.439 4.439 4.400 0.039 18480 6804 1 10 . 1 1 8 8 THR C C 8 172.664 172.664 172.332 0.332 18480 6805 1 10 . 1 1 8 8 THR CA C 8 58.847 58.847 58.102 0.745 18480 6806 1 10 . 1 1 8 8 THR CB C 8 62.183 62.183 69.207 -7.024 18480 6807 1 10 . 1 1 8 8 THR H H 8 8.113 8.113 7.730 0.383 18480 6808 1 10 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.409 -0.444 18480 6809 1 10 . 1 1 9 9 PRO CA C 9 63.436 63.436 63.499 -0.063 18480 6810 1 10 . 1 1 9 9 PRO CB C 9 31.171 31.171 30.768 0.403 18480 6811 1 10 . 1 1 10 10 TRP N N 10 108.872 108.872 111.937 -3.065 18480 6812 1 10 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.042 -0.453 18480 6813 1 10 . 1 1 10 10 TRP C C 10 175.817 175.817 175.603 0.214 18480 6814 1 10 . 1 1 10 10 TRP CA C 10 55.172 55.172 55.394 -0.222 18480 6815 1 10 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.480 -1.505 18480 6816 1 10 . 1 1 10 10 TRP H H 10 6.511 6.511 6.527 -0.016 18480 6817 1 10 . 1 1 11 11 THR N N 11 113.736 113.736 116.515 -2.779 18480 6818 1 10 . 1 1 11 11 THR HA H 11 3.899 3.899 4.236 -0.337 18480 6819 1 10 . 1 1 11 11 THR C C 11 173.970 173.970 173.896 0.074 18480 6820 1 10 . 1 1 11 11 THR CA C 11 65.731 65.731 63.985 1.746 18480 6821 1 10 . 1 1 11 11 THR CB C 11 69.609 69.609 68.509 1.100 18480 6822 1 10 . 1 1 11 11 THR H H 11 7.310 7.310 7.720 -0.410 18480 6823 1 10 . 1 1 12 12 ASN N N 12 112.814 112.814 115.541 -2.727 18480 6824 1 10 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.047 -0.375 18480 6825 1 10 . 1 1 12 12 ASN C C 12 172.889 172.889 173.211 -0.322 18480 6826 1 10 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.152 0.976 18480 6827 1 10 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.695 0.004 18480 6828 1 10 . 1 1 12 12 ASN H H 12 7.234 7.234 7.542 -0.308 18480 6829 1 10 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.246 -0.164 18480 6830 1 10 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.052 -0.410 18480 6831 1 10 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.941 0.112 18480 6832 1 10 . 1 1 14 14 GLY N N 14 107.424 107.424 107.065 0.359 18480 6833 1 10 . 1 1 14 14 GLY C C 14 175.952 175.952 176.559 -0.607 18480 6834 1 10 . 1 1 14 14 GLY CA C 14 47.190 47.190 47.026 0.164 18480 6835 1 10 . 1 1 14 14 GLY H H 14 8.288 8.288 8.058 0.230 18480 6836 1 10 . 1 1 15 15 LEU N N 15 122.906 122.906 122.384 0.522 18480 6837 1 10 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.085 -0.055 18480 6838 1 10 . 1 1 15 15 LEU C C 15 178.564 178.564 178.905 -0.341 18480 6839 1 10 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.951 0.925 18480 6840 1 10 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.709 0.607 18480 6841 1 10 . 1 1 15 15 LEU H H 15 7.956 7.956 8.604 -0.648 18480 6842 1 10 . 1 1 16 16 ALA N N 16 122.949 122.949 122.976 -0.027 18480 6843 1 10 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.438 -0.333 18480 6844 1 10 . 1 1 16 16 ALA C C 16 179.104 179.104 179.860 -0.756 18480 6845 1 10 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.879 1.101 18480 6846 1 10 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.691 0.444 18480 6847 1 10 . 1 1 16 16 ALA H H 16 7.598 7.598 7.990 -0.392 18480 6848 1 10 . 1 1 17 17 GLU N N 17 116.632 116.632 117.244 -0.612 18480 6849 1 10 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.914 -0.094 18480 6850 1 10 . 1 1 17 17 GLU C C 17 177.993 177.993 178.608 -0.615 18480 6851 1 10 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.816 0.233 18480 6852 1 10 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.357 -0.636 18480 6853 1 10 . 1 1 17 17 GLU H H 17 8.097 8.097 8.402 -0.305 18480 6854 1 10 . 1 1 18 18 ASN N N 18 117.645 117.645 119.308 -1.663 18480 6855 1 10 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.423 0.004 18480 6856 1 10 . 1 1 18 18 ASN C C 18 178.347 178.347 177.628 0.719 18480 6857 1 10 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.512 -0.418 18480 6858 1 10 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.515 -0.391 18480 6859 1 10 . 1 1 18 18 ASN H H 18 8.196 8.196 7.821 0.375 18480 6860 1 10 . 1 1 19 19 PHE N N 19 123.188 123.188 120.920 2.268 18480 6861 1 10 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.014 -0.063 18480 6862 1 10 . 1 1 19 19 PHE C C 19 176.837 176.837 177.758 -0.921 18480 6863 1 10 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.491 -0.594 18480 6864 1 10 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.049 0.680 18480 6865 1 10 . 1 1 19 19 PHE H H 19 8.868 8.868 8.307 0.561 18480 6866 1 10 . 1 1 20 20 MET N N 20 118.140 118.140 115.166 2.974 18480 6867 1 10 . 1 1 20 20 MET HA H 20 3.303 3.303 4.062 -0.759 18480 6868 1 10 . 1 1 20 20 MET C C 20 178.924 178.924 177.791 1.133 18480 6869 1 10 . 1 1 20 20 MET CA C 20 60.043 60.043 58.507 1.536 18480 6870 1 10 . 1 1 20 20 MET CB C 20 33.527 33.527 31.641 1.886 18480 6871 1 10 . 1 1 20 20 MET H H 20 7.644 7.644 7.656 -0.012 18480 6872 1 10 . 1 1 21 21 ASN N N 21 116.213 116.213 119.722 -3.509 18480 6873 1 10 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.398 0.055 18480 6874 1 10 . 1 1 21 21 ASN C C 21 178.249 178.249 177.795 0.454 18480 6875 1 10 . 1 1 21 21 ASN CA C 21 55.949 55.949 57.037 -1.088 18480 6876 1 10 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.940 -0.843 18480 6877 1 10 . 1 1 21 21 ASN H H 21 8.169 8.169 8.329 -0.160 18480 6878 1 10 . 1 1 22 22 SER N N 22 117.086 117.086 116.350 0.736 18480 6879 1 10 . 1 1 22 22 SER HA H 22 4.152 4.152 4.186 -0.034 18480 6880 1 10 . 1 1 22 22 SER C C 22 178.143 178.143 176.374 1.769 18480 6881 1 10 . 1 1 22 22 SER CA C 22 62.154 62.154 61.639 0.515 18480 6882 1 10 . 1 1 22 22 SER CB C 22 62.709 62.709 62.995 -0.286 18480 6883 1 10 . 1 1 22 22 SER H H 22 8.650 8.650 8.426 0.224 18480 6884 1 10 . 1 1 23 23 PHE N N 23 124.044 124.044 125.407 -1.363 18480 6885 1 10 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.176 -0.308 18480 6886 1 10 . 1 1 23 23 PHE C C 23 175.652 175.652 177.104 -1.452 18480 6887 1 10 . 1 1 23 23 PHE CA C 23 62.118 62.118 61.374 0.744 18480 6888 1 10 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.019 -0.769 18480 6889 1 10 . 1 1 23 23 PHE H H 23 8.394 8.394 7.983 0.411 18480 6890 1 10 . 1 1 24 24 MET N N 24 117.794 117.794 117.015 0.779 18480 6891 1 10 . 1 1 24 24 MET HA H 24 4.177 4.177 3.947 0.230 18480 6892 1 10 . 1 1 24 24 MET C C 24 179.797 179.797 178.797 1.000 18480 6893 1 10 . 1 1 24 24 MET CA C 24 56.498 56.498 57.295 -0.797 18480 6894 1 10 . 1 1 24 24 MET CB C 24 31.903 31.903 31.116 0.787 18480 6895 1 10 . 1 1 24 24 MET H H 24 7.781 7.781 8.161 -0.380 18480 6896 1 10 . 1 1 25 25 GLN N N 25 119.477 119.477 117.988 1.489 18480 6897 1 10 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.073 -0.109 18480 6898 1 10 . 1 1 25 25 GLN C C 25 179.870 179.870 178.498 1.372 18480 6899 1 10 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.471 0.278 18480 6900 1 10 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.278 0.106 18480 6901 1 10 . 1 1 25 25 GLN H H 25 8.233 8.233 7.687 0.546 18480 6902 1 10 . 1 1 26 26 GLY N N 26 107.052 107.052 107.176 -0.124 18480 6903 1 10 . 1 1 26 26 GLY C C 26 176.387 176.387 176.092 0.295 18480 6904 1 10 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.770 0.903 18480 6905 1 10 . 1 1 26 26 GLY H H 26 7.936 7.936 8.160 -0.224 18480 6906 1 10 . 1 1 27 27 LEU N N 27 122.471 122.471 122.652 -0.181 18480 6907 1 10 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.991 -0.273 18480 6908 1 10 . 1 1 27 27 LEU C C 27 178.564 178.564 178.407 0.157 18480 6909 1 10 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.180 1.013 18480 6910 1 10 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.478 0.214 18480 6911 1 10 . 1 1 27 27 LEU H H 27 8.157 8.157 8.292 -0.135 18480 6912 1 10 . 1 1 28 28 SER N N 28 109.215 109.215 112.972 -3.757 18480 6913 1 10 . 1 1 28 28 SER HA H 28 4.064 4.064 4.285 -0.221 18480 6914 1 10 . 1 1 28 28 SER C C 28 174.421 174.421 175.251 -0.830 18480 6915 1 10 . 1 1 28 28 SER CA C 28 61.444 61.444 60.267 1.177 18480 6916 1 10 . 1 1 28 28 SER CB C 28 63.210 63.210 62.622 0.588 18480 6917 1 10 . 1 1 28 28 SER H H 28 7.469 7.469 7.775 -0.306 18480 6918 1 10 . 1 1 29 29 SER N N 29 114.308 114.308 115.332 -1.024 18480 6919 1 10 . 1 1 29 29 SER HA H 29 4.667 4.667 4.517 0.150 18480 6920 1 10 . 1 1 29 29 SER C C 29 173.970 173.970 173.745 0.225 18480 6921 1 10 . 1 1 29 29 SER CA C 29 57.914 57.914 58.061 -0.147 18480 6922 1 10 . 1 1 29 29 SER CB C 29 64.359 64.359 63.902 0.457 18480 6923 1 10 . 1 1 29 29 SER H H 29 7.383 7.383 7.641 -0.258 18480 6924 1 10 . 1 1 30 30 MET N N 30 122.604 122.604 122.181 0.423 18480 6925 1 10 . 1 1 30 30 MET HA H 30 4.882 4.882 5.055 -0.173 18480 6926 1 10 . 1 1 30 30 MET C C 30 174.195 174.195 175.026 -0.831 18480 6927 1 10 . 1 1 30 30 MET CA C 30 53.753 53.753 51.522 2.231 18480 6928 1 10 . 1 1 30 30 MET CB C 30 32.013 32.013 32.008 0.006 18480 6929 1 10 . 1 1 30 30 MET H H 30 7.804 7.804 7.646 0.158 18480 6930 1 10 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.474 0.192 18480 6931 1 10 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.657 -0.960 18480 6932 1 10 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.130 0.823 18480 6933 1 10 . 1 1 32 32 GLY N N 32 104.648 104.648 106.475 -1.827 18480 6934 1 10 . 1 1 32 32 GLY C C 32 172.454 172.454 173.723 -1.269 18480 6935 1 10 . 1 1 32 32 GLY CA C 32 45.421 45.421 46.017 -0.596 18480 6936 1 10 . 1 1 32 32 GLY H H 32 8.363 8.363 7.877 0.486 18480 6937 1 10 . 1 1 33 33 PHE N N 33 116.917 116.917 118.977 -2.060 18480 6938 1 10 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.812 0.475 18480 6939 1 10 . 1 1 33 33 PHE C C 33 176.387 176.387 175.904 0.483 18480 6940 1 10 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.621 0.281 18480 6941 1 10 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.461 0.829 18480 6942 1 10 . 1 1 33 33 PHE H H 33 8.118 8.118 7.451 0.667 18480 6943 1 10 . 1 1 34 34 THR N N 34 113.457 113.457 115.219 -1.762 18480 6944 1 10 . 1 1 34 34 THR HA H 34 4.494 4.494 4.634 -0.140 18480 6945 1 10 . 1 1 34 34 THR C C 34 175.066 175.066 175.337 -0.271 18480 6946 1 10 . 1 1 34 34 THR CA C 34 59.946 59.946 60.025 -0.079 18480 6947 1 10 . 1 1 34 34 THR CB C 34 70.967 70.967 70.947 0.020 18480 6948 1 10 . 1 1 34 34 THR H H 34 8.727 8.727 8.102 0.625 18480 6949 1 10 . 1 1 35 35 ALA N N 35 122.737 122.737 122.999 -0.262 18480 6950 1 10 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.168 -0.083 18480 6951 1 10 . 1 1 35 35 ALA C C 35 180.755 180.755 179.517 1.238 18480 6952 1 10 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.568 0.955 18480 6953 1 10 . 1 1 35 35 ALA CB C 35 18.070 18.070 17.931 0.139 18480 6954 1 10 . 1 1 35 35 ALA H H 35 8.913 8.913 8.625 0.288 18480 6955 1 10 . 1 1 36 36 SER N N 36 113.331 113.331 112.645 0.686 18480 6956 1 10 . 1 1 36 36 SER HA H 36 4.244 4.244 4.300 -0.056 18480 6957 1 10 . 1 1 36 36 SER C C 36 177.033 177.033 176.641 0.392 18480 6958 1 10 . 1 1 36 36 SER CA C 36 61.453 61.453 60.367 1.086 18480 6959 1 10 . 1 1 36 36 SER CB C 36 62.529 62.529 63.068 -0.539 18480 6960 1 10 . 1 1 36 36 SER H H 36 8.347 8.347 8.091 0.256 18480 6961 1 10 . 1 1 37 37 GLN N N 37 122.548 122.548 122.530 0.018 18480 6962 1 10 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.252 -0.193 18480 6963 1 10 . 1 1 37 37 GLN C C 37 179.149 179.149 178.372 0.777 18480 6964 1 10 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.465 0.502 18480 6965 1 10 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.788 -0.766 18480 6966 1 10 . 1 1 37 37 GLN H H 37 7.500 7.500 7.627 -0.127 18480 6967 1 10 . 1 1 38 38 LEU N N 38 117.948 117.948 119.862 -1.914 18480 6968 1 10 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.909 -0.017 18480 6969 1 10 . 1 1 38 38 LEU C C 38 179.675 179.675 178.534 1.141 18480 6970 1 10 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.708 0.251 18480 6971 1 10 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.419 0.074 18480 6972 1 10 . 1 1 38 38 LEU H H 38 8.217 8.217 8.694 -0.477 18480 6973 1 10 . 1 1 39 39 ASP N N 39 120.923 120.923 118.938 1.985 18480 6974 1 10 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.309 0.102 18480 6975 1 10 . 1 1 39 39 ASP C C 39 179.224 179.224 178.076 1.148 18480 6976 1 10 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.038 -0.432 18480 6977 1 10 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.734 1.094 18480 6978 1 10 . 1 1 39 39 ASP H H 39 8.192 8.192 7.831 0.361 18480 6979 1 10 . 1 1 40 40 ASP N N 40 123.608 123.608 119.568 4.040 18480 6980 1 10 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.578 -0.361 18480 6981 1 10 . 1 1 40 40 ASP C C 40 179.600 179.600 178.484 1.116 18480 6982 1 10 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.328 2.312 18480 6983 1 10 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.455 -2.143 18480 6984 1 10 . 1 1 40 40 ASP H H 40 8.366 8.366 7.627 0.739 18480 6985 1 10 . 1 1 41 41 MET N N 41 118.772 118.772 117.175 1.597 18480 6986 1 10 . 1 1 41 41 MET HA H 41 3.638 3.638 4.446 -0.808 18480 6987 1 10 . 1 1 41 41 MET C C 41 177.693 177.693 178.310 -0.617 18480 6988 1 10 . 1 1 41 41 MET CA C 41 60.513 60.513 58.713 1.800 18480 6989 1 10 . 1 1 41 41 MET CB C 41 34.320 34.320 32.501 1.819 18480 6990 1 10 . 1 1 41 41 MET H H 41 8.423 8.423 8.114 0.309 18480 6991 1 10 . 1 1 42 42 SER N N 42 115.040 115.040 116.215 -1.175 18480 6992 1 10 . 1 1 42 42 SER HA H 42 4.168 4.168 4.377 -0.209 18480 6993 1 10 . 1 1 42 42 SER C C 42 177.483 177.483 176.506 0.977 18480 6994 1 10 . 1 1 42 42 SER CA C 42 61.923 61.923 61.264 0.659 18480 6995 1 10 . 1 1 42 42 SER CB C 42 63.084 63.084 62.804 0.280 18480 6996 1 10 . 1 1 42 42 SER H H 42 8.901 8.901 8.334 0.567 18480 6997 1 10 . 1 1 43 43 THR N N 43 118.747 118.747 119.385 -0.638 18480 6998 1 10 . 1 1 43 43 THR HA H 43 3.914 3.914 4.040 -0.126 18480 6999 1 10 . 1 1 43 43 THR C C 43 177.258 177.258 176.727 0.531 18480 7000 1 10 . 1 1 43 43 THR CA C 43 67.017 67.017 67.087 -0.070 18480 7001 1 10 . 1 1 43 43 THR CB C 43 69.500 69.500 68.595 0.905 18480 7002 1 10 . 1 1 43 43 THR H H 43 8.479 8.479 7.530 0.949 18480 7003 1 10 . 1 1 44 44 ILE N N 44 121.898 121.898 120.913 0.985 18480 7004 1 10 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.713 -0.010 18480 7005 1 10 . 1 1 44 44 ILE C C 44 178.564 178.564 177.376 1.188 18480 7006 1 10 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.109 -1.044 18480 7007 1 10 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.565 -1.355 18480 7008 1 10 . 1 1 44 44 ILE H H 44 7.807 7.807 7.566 0.241 18480 7009 1 10 . 1 1 45 45 ALA N N 45 124.002 124.002 122.635 1.367 18480 7010 1 10 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.963 0.079 18480 7011 1 10 . 1 1 45 45 ALA C C 45 179.404 179.404 179.260 0.144 18480 7012 1 10 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.342 1.199 18480 7013 1 10 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.501 -0.043 18480 7014 1 10 . 1 1 45 45 ALA H H 45 9.145 9.145 8.040 1.105 18480 7015 1 10 . 1 1 46 46 GLN N N 46 115.753 115.753 115.325 0.428 18480 7016 1 10 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.131 -0.108 18480 7017 1 10 . 1 1 46 46 GLN C C 46 179.014 179.014 178.387 0.627 18480 7018 1 10 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.247 0.706 18480 7019 1 10 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.065 0.335 18480 7020 1 10 . 1 1 46 46 GLN H H 46 8.459 8.459 8.239 0.221 18480 7021 1 10 . 1 1 47 47 SER N N 47 116.041 116.041 116.938 -0.897 18480 7022 1 10 . 1 1 47 47 SER HA H 47 4.258 4.258 4.351 -0.093 18480 7023 1 10 . 1 1 47 47 SER C C 47 177.483 177.483 176.049 1.434 18480 7024 1 10 . 1 1 47 47 SER CA C 47 62.328 62.328 61.426 0.902 18480 7025 1 10 . 1 1 47 47 SER CB C 47 63.154 63.154 63.219 -0.065 18480 7026 1 10 . 1 1 47 47 SER H H 47 7.961 7.961 7.458 0.503 18480 7027 1 10 . 1 1 48 48 MET N N 48 122.349 122.349 121.269 1.080 18480 7028 1 10 . 1 1 48 48 MET HA H 48 4.376 4.376 4.320 0.056 18480 7029 1 10 . 1 1 48 48 MET C C 48 177.798 177.798 178.508 -0.710 18480 7030 1 10 . 1 1 48 48 MET CA C 48 58.198 58.198 57.515 0.683 18480 7031 1 10 . 1 1 48 48 MET CB C 48 32.102 32.102 31.907 0.195 18480 7032 1 10 . 1 1 48 48 MET H H 48 8.508 8.508 8.326 0.182 18480 7033 1 10 . 1 1 49 49 VAL N N 49 122.061 122.061 114.826 7.235 18480 7034 1 10 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.632 -0.190 18480 7035 1 10 . 1 1 49 49 VAL C C 49 177.910 177.910 177.265 0.645 18480 7036 1 10 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.453 1.470 18480 7037 1 10 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.954 0.805 18480 7038 1 10 . 1 1 49 49 VAL H H 49 8.541 8.541 7.933 0.608 18480 7039 1 10 . 1 1 50 50 GLN N N 50 118.465 118.465 119.940 -1.475 18480 7040 1 10 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.076 -0.019 18480 7041 1 10 . 1 1 50 50 GLN C C 50 179.449 179.449 178.466 0.983 18480 7042 1 10 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.663 0.362 18480 7043 1 10 . 1 1 50 50 GLN CB C 50 28.007 28.007 27.984 0.023 18480 7044 1 10 . 1 1 50 50 GLN H H 50 8.165 8.165 7.907 0.258 18480 7045 1 10 . 1 1 51 51 SER N N 51 117.659 117.659 117.992 -0.333 18480 7046 1 10 . 1 1 51 51 SER HA H 51 3.854 3.854 4.224 -0.370 18480 7047 1 10 . 1 1 51 51 SER C C 51 176.374 176.374 176.626 -0.252 18480 7048 1 10 . 1 1 51 51 SER CA C 51 62.642 62.642 62.357 0.285 18480 7049 1 10 . 1 1 51 51 SER CB C 51 63.039 63.039 62.915 0.124 18480 7050 1 10 . 1 1 51 51 SER H H 51 8.199 8.199 7.608 0.591 18480 7051 1 10 . 1 1 52 52 ILE N N 52 122.930 122.930 122.784 0.146 18480 7052 1 10 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.587 -0.207 18480 7053 1 10 . 1 1 52 52 ILE C C 52 178.684 178.684 177.825 0.859 18480 7054 1 10 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.480 0.835 18480 7055 1 10 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.683 -0.135 18480 7056 1 10 . 1 1 52 52 ILE H H 52 8.068 8.068 7.844 0.224 18480 7057 1 10 . 1 1 53 53 GLN N N 53 118.774 118.774 118.266 0.508 18480 7058 1 10 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.948 -0.035 18480 7059 1 10 . 1 1 53 53 GLN C C 53 179.014 179.014 178.560 0.454 18480 7060 1 10 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.177 -0.009 18480 7061 1 10 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.513 -0.496 18480 7062 1 10 . 1 1 53 53 GLN H H 53 8.459 8.459 8.341 0.118 18480 7063 1 10 . 1 1 54 54 SER N N 54 115.452 115.452 116.436 -0.984 18480 7064 1 10 . 1 1 54 54 SER HA H 54 4.294 4.294 4.207 0.087 18480 7065 1 10 . 1 1 54 54 SER C C 54 176.822 176.822 176.412 0.410 18480 7066 1 10 . 1 1 54 54 SER CA C 54 61.276 61.276 61.528 -0.252 18480 7067 1 10 . 1 1 54 54 SER CB C 54 62.873 62.873 62.907 -0.034 18480 7068 1 10 . 1 1 54 54 SER H H 54 8.330 8.330 7.859 0.471 18480 7069 1 10 . 1 1 55 55 LEU N N 55 121.066 121.066 121.483 -0.417 18480 7070 1 10 . 1 1 55 55 LEU HA H 55 3.981 3.981 3.961 0.020 18480 7071 1 10 . 1 1 55 55 LEU C C 55 179.434 179.434 178.506 0.928 18480 7072 1 10 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.991 -0.015 18480 7073 1 10 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.495 1.111 18480 7074 1 10 . 1 1 55 55 LEU H H 55 8.211 8.211 8.274 -0.063 18480 7075 1 10 . 1 1 56 56 ALA N N 56 122.497 122.497 121.461 1.036 18480 7076 1 10 . 1 1 56 56 ALA HA H 56 4.149 4.149 3.998 0.151 18480 7077 1 10 . 1 1 56 56 ALA C C 56 180.530 180.530 179.487 1.043 18480 7078 1 10 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.734 0.335 18480 7079 1 10 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.135 -0.173 18480 7080 1 10 . 1 1 56 56 ALA H H 56 8.902 8.902 7.855 1.047 18480 7081 1 10 . 1 1 57 57 ALA N N 57 122.922 122.922 120.536 2.386 18480 7082 1 10 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.091 0.066 18480 7083 1 10 . 1 1 57 57 ALA C C 57 179.344 179.344 179.600 -0.256 18480 7084 1 10 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.316 0.683 18480 7085 1 10 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.630 -0.601 18480 7086 1 10 . 1 1 57 57 ALA H H 57 8.140 8.140 7.807 0.333 18480 7087 1 10 . 1 1 58 58 GLN N N 58 113.359 113.359 116.063 -2.704 18480 7088 1 10 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.333 0.029 18480 7089 1 10 . 1 1 58 58 GLN C C 58 176.612 176.612 175.964 0.648 18480 7090 1 10 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.427 0.171 18480 7091 1 10 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.250 1.825 18480 7092 1 10 . 1 1 58 58 GLN H H 58 7.415 7.415 7.854 -0.439 18480 7093 1 10 . 1 1 59 59 GLY N N 59 109.012 109.012 106.709 2.303 18480 7094 1 10 . 1 1 59 59 GLY C C 59 174.856 174.856 174.794 0.062 18480 7095 1 10 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.563 1.198 18480 7096 1 10 . 1 1 59 59 GLY H H 59 7.979 7.979 7.336 0.643 18480 7097 1 10 . 1 1 60 60 ARG N N 60 115.906 115.906 118.351 -2.445 18480 7098 1 10 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.478 0.124 18480 7099 1 10 . 1 1 60 60 ARG C C 60 175.847 175.847 175.520 0.327 18480 7100 1 10 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.585 1.223 18480 7101 1 10 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.377 2.029 18480 7102 1 10 . 1 1 60 60 ARG H H 60 8.126 8.126 8.329 -0.203 18480 7103 1 10 . 1 1 61 61 THR N N 61 107.985 107.985 113.502 -5.517 18480 7104 1 10 . 1 1 61 61 THR HA H 61 4.125 4.125 4.365 -0.240 18480 7105 1 10 . 1 1 61 61 THR C C 61 173.654 173.654 174.150 -0.496 18480 7106 1 10 . 1 1 61 61 THR CA C 61 62.194 62.194 62.703 -0.509 18480 7107 1 10 . 1 1 61 61 THR CB C 61 69.512 69.512 69.195 0.316 18480 7108 1 10 . 1 1 61 61 THR H H 61 7.663 7.663 7.902 -0.239 18480 7109 1 10 . 1 1 62 62 SER N N 62 113.733 113.733 121.172 -7.439 18480 7110 1 10 . 1 1 62 62 SER HA H 62 4.973 4.973 4.971 0.002 18480 7111 1 10 . 1 1 62 62 SER C C 62 173.207 173.207 173.335 -0.128 18480 7112 1 10 . 1 1 62 62 SER CA C 62 56.343 56.343 55.080 1.263 18480 7113 1 10 . 1 1 62 62 SER CB C 62 63.992 63.992 64.763 -0.770 18480 7114 1 10 . 1 1 62 62 SER H H 62 7.057 7.057 8.284 -1.227 18480 7115 1 10 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.593 0.109 18480 7116 1 10 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.745 0.555 18480 7117 1 10 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.326 -0.090 18480 7118 1 10 . 1 1 64 64 ASN N N 64 114.886 114.886 117.563 -2.677 18480 7119 1 10 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.457 -0.055 18480 7120 1 10 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.397 -0.146 18480 7121 1 10 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.921 0.116 18480 7122 1 10 . 1 1 64 64 ASN H H 64 8.642 8.642 8.560 0.082 18480 7123 1 10 . 1 1 65 65 LYS N N 65 119.774 119.774 120.885 -1.111 18480 7124 1 10 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.037 -0.231 18480 7125 1 10 . 1 1 65 65 LYS C C 65 178.999 178.999 178.629 0.370 18480 7126 1 10 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.086 1.792 18480 7127 1 10 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.140 1.097 18480 7128 1 10 . 1 1 65 65 LYS H H 65 7.882 7.882 8.189 -0.307 18480 7129 1 10 . 1 1 66 66 LEU N N 66 117.686 117.686 118.691 -1.005 18480 7130 1 10 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.069 -0.047 18480 7131 1 10 . 1 1 66 66 LEU C C 66 178.928 178.928 178.335 0.593 18480 7132 1 10 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.497 0.420 18480 7133 1 10 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.095 -0.562 18480 7134 1 10 . 1 1 66 66 LEU H H 66 8.666 8.666 7.952 0.714 18480 7135 1 10 . 1 1 67 67 GLN N N 67 124.469 124.469 119.848 4.621 18480 7136 1 10 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.432 -0.140 18480 7137 1 10 . 1 1 67 67 GLN C C 67 178.789 178.789 177.868 0.921 18480 7138 1 10 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.726 1.165 18480 7139 1 10 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.132 0.027 18480 7140 1 10 . 1 1 67 67 GLN H H 67 8.997 8.997 8.083 0.914 18480 7141 1 10 . 1 1 68 68 ALA N N 68 121.986 121.986 121.488 0.498 18480 7142 1 10 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.032 -0.222 18480 7143 1 10 . 1 1 68 68 ALA C C 68 180.320 180.320 179.776 0.544 18480 7144 1 10 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.910 0.593 18480 7145 1 10 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.114 0.098 18480 7146 1 10 . 1 1 68 68 ALA H H 68 7.427 7.427 8.624 -1.197 18480 7147 1 10 . 1 1 69 69 LEU N N 69 118.881 118.881 118.541 0.340 18480 7148 1 10 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.053 -0.001 18480 7149 1 10 . 1 1 69 69 LEU C C 69 178.864 178.864 178.514 0.350 18480 7150 1 10 . 1 1 69 69 LEU CA C 69 57.747 57.747 56.919 0.828 18480 7151 1 10 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.616 0.278 18480 7152 1 10 . 1 1 69 69 LEU H H 69 8.143 8.143 7.478 0.665 18480 7153 1 10 . 1 1 70 70 ASN N N 70 119.848 119.848 119.454 0.394 18480 7154 1 10 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.406 -0.015 18480 7155 1 10 . 1 1 70 70 ASN C C 70 177.483 177.483 177.615 -0.132 18480 7156 1 10 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.760 1.024 18480 7157 1 10 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.744 0.728 18480 7158 1 10 . 1 1 70 70 ASN H H 70 8.456 8.456 8.008 0.448 18480 7159 1 10 . 1 1 71 71 MET N N 71 118.843 118.843 117.823 1.020 18480 7160 1 10 . 1 1 71 71 MET HA H 71 4.769 4.769 4.286 0.483 18480 7161 1 10 . 1 1 71 71 MET C C 71 178.279 178.279 178.395 -0.116 18480 7162 1 10 . 1 1 71 71 MET CA C 71 56.415 56.415 56.739 -0.324 18480 7163 1 10 . 1 1 71 71 MET CB C 71 29.788 29.788 31.081 -1.293 18480 7164 1 10 . 1 1 71 71 MET H H 71 7.757 7.757 8.662 -0.905 18480 7165 1 10 . 1 1 72 72 ALA N N 72 126.265 126.265 124.286 1.979 18480 7166 1 10 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.145 0.097 18480 7167 1 10 . 1 1 72 72 ALA C C 72 179.059 179.059 179.577 -0.518 18480 7168 1 10 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.024 0.102 18480 7169 1 10 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.115 0.808 18480 7170 1 10 . 1 1 72 72 ALA H H 72 8.559 8.559 7.859 0.700 18480 7171 1 10 . 1 1 73 73 PHE N N 73 118.887 118.887 119.723 -0.836 18480 7172 1 10 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.088 -0.025 18480 7173 1 10 . 1 1 73 73 PHE C C 73 177.258 177.258 176.507 0.751 18480 7174 1 10 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.868 0.204 18480 7175 1 10 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.206 0.099 18480 7176 1 10 . 1 1 73 73 PHE H H 73 8.337 8.337 8.250 0.087 18480 7177 1 10 . 1 1 74 74 ALA N N 74 122.360 122.360 120.547 1.813 18480 7178 1 10 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.709 -0.478 18480 7179 1 10 . 1 1 74 74 ALA C C 74 179.374 179.374 179.563 -0.189 18480 7180 1 10 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.080 0.736 18480 7181 1 10 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.421 0.460 18480 7182 1 10 . 1 1 74 74 ALA H H 74 8.540 8.540 8.126 0.414 18480 7183 1 10 . 1 1 75 75 SER N N 75 112.265 112.265 113.836 -1.571 18480 7184 1 10 . 1 1 75 75 SER HA H 75 3.858 3.858 4.280 -0.422 18480 7185 1 10 . 1 1 75 75 SER CA C 75 62.251 62.251 61.647 0.605 18480 7186 1 10 . 1 1 75 75 SER CB C 75 62.874 62.874 62.834 0.040 18480 7187 1 10 . 1 1 75 75 SER H H 75 8.859 8.859 8.344 0.515 18480 7188 1 10 . 1 1 76 76 SER N N 76 118.859 118.859 120.174 -1.315 18480 7189 1 10 . 1 1 76 76 SER HA H 76 3.964 3.964 4.408 -0.444 18480 7190 1 10 . 1 1 76 76 SER CA C 76 63.066 63.066 61.739 1.327 18480 7191 1 10 . 1 1 76 76 SER CB C 76 63.377 63.377 62.877 0.500 18480 7192 1 10 . 1 1 76 76 SER H H 76 8.065 8.065 8.070 -0.005 18480 7193 1 10 . 1 1 77 77 MET N N 77 120.030 120.030 119.846 0.184 18480 7194 1 10 . 1 1 77 77 MET HA H 77 4.234 4.234 4.027 0.207 18480 7195 1 10 . 1 1 77 77 MET C C 77 178.354 178.354 178.384 -0.030 18480 7196 1 10 . 1 1 77 77 MET CA C 77 57.167 57.167 56.505 0.662 18480 7197 1 10 . 1 1 77 77 MET CB C 77 32.728 32.728 30.798 1.930 18480 7198 1 10 . 1 1 77 77 MET H H 77 7.397 7.397 8.008 -0.611 18480 7199 1 10 . 1 1 78 78 ALA N N 78 119.880 119.880 122.003 -2.123 18480 7200 1 10 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.174 -0.271 18480 7201 1 10 . 1 1 78 78 ALA C C 78 178.354 178.354 179.499 -1.145 18480 7202 1 10 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.209 -0.069 18480 7203 1 10 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.149 0.952 18480 7204 1 10 . 1 1 78 78 ALA H H 78 7.908 7.908 7.641 0.267 18480 7205 1 10 . 1 1 79 79 GLU N N 79 117.907 117.907 120.237 -2.330 18480 7206 1 10 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.724 0.215 18480 7207 1 10 . 1 1 79 79 GLU C C 79 178.894 178.894 178.974 -0.080 18480 7208 1 10 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.405 0.295 18480 7209 1 10 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.513 0.134 18480 7210 1 10 . 1 1 79 79 GLU H H 79 8.576 8.576 8.132 0.444 18480 7211 1 10 . 1 1 80 80 ILE N N 80 121.918 121.918 119.194 2.724 18480 7212 1 10 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.691 -0.089 18480 7213 1 10 . 1 1 80 80 ILE C C 80 179.014 179.014 178.272 0.742 18480 7214 1 10 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.645 0.486 18480 7215 1 10 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.659 -0.034 18480 7216 1 10 . 1 1 80 80 ILE H H 80 8.065 8.065 8.417 -0.352 18480 7217 1 10 . 1 1 81 81 ALA N N 81 120.266 120.266 122.948 -2.682 18480 7218 1 10 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.239 -0.092 18480 7219 1 10 . 1 1 81 81 ALA C C 81 177.258 177.258 178.960 -1.702 18480 7220 1 10 . 1 1 81 81 ALA CA C 81 55.140 55.140 55.101 0.039 18480 7221 1 10 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.680 0.475 18480 7222 1 10 . 1 1 81 81 ALA H H 81 8.169 8.169 7.783 0.386 18480 7223 1 10 . 1 1 82 82 ALA N N 82 114.813 114.813 118.258 -3.445 18480 7224 1 10 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.215 -0.164 18480 7225 1 10 . 1 1 82 82 ALA C C 82 177.693 177.693 178.813 -1.120 18480 7226 1 10 . 1 1 82 82 ALA CA C 82 53.767 53.767 53.944 -0.177 18480 7227 1 10 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.407 2.592 18480 7228 1 10 . 1 1 82 82 ALA H H 82 8.019 8.019 8.506 -0.487 18480 7229 1 10 . 1 1 83 83 SER N N 83 110.140 110.140 113.851 -3.711 18480 7230 1 10 . 1 1 83 83 SER HA H 83 4.415 4.415 4.458 -0.043 18480 7231 1 10 . 1 1 83 83 SER C C 83 174.856 174.856 175.496 -0.640 18480 7232 1 10 . 1 1 83 83 SER CA C 83 59.772 59.772 59.194 0.578 18480 7233 1 10 . 1 1 83 83 SER CB C 83 64.952 64.952 64.129 0.823 18480 7234 1 10 . 1 1 83 83 SER H H 83 7.823 7.823 7.838 -0.015 18480 7235 1 10 . 1 1 84 84 GLU N N 84 120.696 120.696 120.225 0.471 18480 7236 1 10 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.476 0.025 18480 7237 1 10 . 1 1 84 84 GLU C C 84 176.597 176.597 175.879 0.718 18480 7238 1 10 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.376 1.220 18480 7239 1 10 . 1 1 84 84 GLU CB C 84 28.537 28.537 31.444 -2.907 18480 7240 1 10 . 1 1 84 84 GLU H H 84 7.666 7.666 7.949 -0.283 18480 7241 1 10 . 1 1 85 85 GLU N N 85 124.951 124.951 118.329 6.622 18480 7242 1 10 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.192 0.070 18480 7243 1 10 . 1 1 85 85 GLU C C 85 177.258 177.258 176.662 0.596 18480 7244 1 10 . 1 1 85 85 GLU CA C 85 56.845 56.845 56.199 0.646 18480 7245 1 10 . 1 1 85 85 GLU CB C 85 30.803 30.803 30.651 0.152 18480 7246 1 10 . 1 1 85 85 GLU H H 85 8.735 8.735 8.541 0.194 18480 7247 1 10 . 1 1 86 86 GLY N N 86 110.356 110.356 106.333 4.023 18480 7248 1 10 . 1 1 86 86 GLY C C 86 174.856 174.856 172.978 1.878 18480 7249 1 10 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.626 -0.236 18480 7250 1 10 . 1 1 86 86 GLY H H 86 8.609 8.609 7.981 0.628 18480 7251 1 10 . 1 1 87 87 GLY N N 87 107.569 107.569 107.634 -0.065 18480 7252 1 10 . 1 1 87 87 GLY C C 87 174.436 174.436 173.923 0.513 18480 7253 1 10 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.505 -0.245 18480 7254 1 10 . 1 1 87 87 GLY H H 87 7.931 7.931 7.908 0.023 18480 7255 1 10 . 1 1 88 88 GLY N N 88 109.889 109.889 107.292 2.597 18480 7256 1 10 . 1 1 88 88 GLY C C 88 173.325 173.325 172.630 0.695 18480 7257 1 10 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.877 0.289 18480 7258 1 10 . 1 1 88 88 GLY H H 88 8.650 8.650 7.224 1.426 18480 7259 1 10 . 1 1 89 89 SER N N 89 114.731 114.731 114.648 0.083 18480 7260 1 10 . 1 1 89 89 SER HA H 89 4.411 4.411 4.602 -0.191 18480 7261 1 10 . 1 1 89 89 SER C C 89 175.066 175.066 176.300 -1.234 18480 7262 1 10 . 1 1 89 89 SER CA C 89 57.363 57.363 57.709 -0.346 18480 7263 1 10 . 1 1 89 89 SER CB C 89 62.483 62.483 64.227 -1.744 18480 7264 1 10 . 1 1 89 89 SER H H 89 8.640 8.640 7.994 0.646 18480 7265 1 10 . 1 1 90 90 LEU N N 90 123.210 123.210 124.192 -0.982 18480 7266 1 10 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.039 -0.064 18480 7267 1 10 . 1 1 90 90 LEU C C 90 179.434 179.434 178.421 1.013 18480 7268 1 10 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.458 -0.115 18480 7269 1 10 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.452 -0.088 18480 7270 1 10 . 1 1 90 90 LEU H H 90 8.976 8.976 8.649 0.327 18480 7271 1 10 . 1 1 91 91 SER N N 91 115.789 115.789 113.037 2.752 18480 7272 1 10 . 1 1 91 91 SER HA H 91 4.149 4.149 4.254 -0.105 18480 7273 1 10 . 1 1 91 91 SER C C 91 177.325 177.325 176.393 0.932 18480 7274 1 10 . 1 1 91 91 SER CA C 91 61.794 61.794 61.516 0.278 18480 7275 1 10 . 1 1 91 91 SER CB C 91 62.276 62.276 62.469 -0.193 18480 7276 1 10 . 1 1 91 91 SER H H 91 8.612 8.612 8.338 0.274 18480 7277 1 10 . 1 1 92 92 THR N N 92 122.677 122.677 118.778 3.899 18480 7278 1 10 . 1 1 92 92 THR HA H 92 3.919 3.919 4.072 -0.153 18480 7279 1 10 . 1 1 92 92 THR C C 92 176.162 176.162 176.608 -0.446 18480 7280 1 10 . 1 1 92 92 THR CA C 92 66.719 66.719 65.844 0.875 18480 7281 1 10 . 1 1 92 92 THR CB C 92 68.236 68.236 68.269 -0.033 18480 7282 1 10 . 1 1 92 92 THR H H 92 7.871 7.871 8.014 -0.143 18480 7283 1 10 . 1 1 93 93 LYS N N 93 119.820 119.820 121.321 -1.501 18480 7284 1 10 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.928 -0.359 18480 7285 1 10 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.557 1.095 18480 7286 1 10 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.825 1.903 18480 7287 1 10 . 1 1 93 93 LYS H H 93 8.263 8.263 7.567 0.696 18480 7288 1 10 . 1 1 94 94 THR N N 94 113.759 113.759 117.649 -3.890 18480 7289 1 10 . 1 1 94 94 THR HA H 94 3.692 3.692 4.021 -0.329 18480 7290 1 10 . 1 1 94 94 THR C C 94 177.033 177.033 176.574 0.459 18480 7291 1 10 . 1 1 94 94 THR CA C 94 68.122 68.122 67.251 0.871 18480 7292 1 10 . 1 1 94 94 THR CB C 94 68.342 68.342 68.598 -0.256 18480 7293 1 10 . 1 1 94 94 THR H H 94 8.448 8.448 7.724 0.724 18480 7294 1 10 . 1 1 95 95 SER N N 95 117.547 117.547 118.031 -0.484 18480 7295 1 10 . 1 1 95 95 SER HA H 95 4.262 4.262 4.201 0.061 18480 7296 1 10 . 1 1 95 95 SER C C 95 177.828 177.828 176.906 0.922 18480 7297 1 10 . 1 1 95 95 SER CA C 95 61.758 61.758 61.538 0.220 18480 7298 1 10 . 1 1 95 95 SER CB C 95 62.667 62.667 63.016 -0.349 18480 7299 1 10 . 1 1 95 95 SER H H 95 8.173 8.173 7.888 0.285 18480 7300 1 10 . 1 1 96 96 SER N N 96 121.366 121.366 119.077 2.289 18480 7301 1 10 . 1 1 96 96 SER HA H 96 4.035 4.035 4.263 -0.228 18480 7302 1 10 . 1 1 96 96 SER CA C 96 62.467 62.467 62.447 0.020 18480 7303 1 10 . 1 1 96 96 SER CB C 96 61.755 61.755 63.141 -1.386 18480 7304 1 10 . 1 1 96 96 SER H H 96 8.830 8.830 7.659 1.171 18480 7305 1 10 . 1 1 97 97 ILE N N 97 121.943 121.943 122.011 -0.068 18480 7306 1 10 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.908 -0.099 18480 7307 1 10 . 1 1 97 97 ILE C C 97 177.693 177.693 177.883 -0.190 18480 7308 1 10 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.517 0.525 18480 7309 1 10 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.951 -0.415 18480 7310 1 10 . 1 1 97 97 ILE H H 97 8.380 8.380 8.179 0.201 18480 7311 1 10 . 1 1 98 98 ALA N N 98 122.507 122.507 122.522 -0.015 18480 7312 1 10 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.050 -0.010 18480 7313 1 10 . 1 1 98 98 ALA C C 98 180.740 180.740 179.567 1.173 18480 7314 1 10 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.555 0.833 18480 7315 1 10 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.027 0.126 18480 7316 1 10 . 1 1 98 98 ALA H H 98 8.624 8.624 8.263 0.361 18480 7317 1 10 . 1 1 99 99 SER N N 99 115.850 115.850 114.395 1.455 18480 7318 1 10 . 1 1 99 99 SER HA H 99 4.325 4.325 4.181 0.144 18480 7319 1 10 . 1 1 99 99 SER C C 99 177.168 177.168 176.573 0.595 18480 7320 1 10 . 1 1 99 99 SER CA C 99 61.867 61.867 61.221 0.646 18480 7321 1 10 . 1 1 99 99 SER CB C 99 63.200 63.200 63.037 0.163 18480 7322 1 10 . 1 1 99 99 SER H H 99 8.667 8.667 8.161 0.506 18480 7323 1 10 . 1 1 100 100 ALA N N 100 124.410 124.410 123.745 0.665 18480 7324 1 10 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.046 0.096 18480 7325 1 10 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.897 0.491 18480 7326 1 10 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.346 0.281 18480 7327 1 10 . 1 1 100 100 ALA H H 100 8.744 8.744 7.696 1.048 18480 7328 1 10 . 1 1 101 101 MET N N 101 119.346 119.346 118.357 0.989 18480 7329 1 10 . 1 1 101 101 MET HA H 101 4.368 4.368 4.249 0.119 18480 7330 1 10 . 1 1 101 101 MET CA C 101 59.163 59.163 57.685 1.478 18480 7331 1 10 . 1 1 101 101 MET CB C 101 33.233 33.233 31.953 1.280 18480 7332 1 10 . 1 1 101 101 MET H H 101 9.152 9.152 8.837 0.315 18480 7333 1 10 . 1 1 102 102 SER N N 102 117.124 117.124 115.351 1.773 18480 7334 1 10 . 1 1 102 102 SER HA H 102 4.382 4.382 4.379 0.003 18480 7335 1 10 . 1 1 102 102 SER CA C 102 63.424 63.424 62.242 1.182 18480 7336 1 10 . 1 1 102 102 SER CB C 102 62.639 62.639 62.930 -0.291 18480 7337 1 10 . 1 1 102 102 SER H H 102 8.766 8.766 8.200 0.566 18480 7338 1 10 . 1 1 103 103 ASN N N 103 118.601 118.601 119.681 -1.080 18480 7339 1 10 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.502 -0.036 18480 7340 1 10 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.920 0.719 18480 7341 1 10 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.617 -0.310 18480 7342 1 10 . 1 1 103 103 ASN H H 103 8.298 8.298 7.757 0.541 18480 7343 1 10 . 1 1 104 104 ALA N N 104 122.821 122.821 121.746 1.075 18480 7344 1 10 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.925 0.314 18480 7345 1 10 . 1 1 104 104 ALA C C 104 181.701 181.701 179.660 2.041 18480 7346 1 10 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.325 0.947 18480 7347 1 10 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.637 0.537 18480 7348 1 10 . 1 1 104 104 ALA H H 104 7.969 7.969 7.696 0.273 18480 7349 1 10 . 1 1 105 105 PHE N N 105 119.585 119.585 116.958 2.627 18480 7350 1 10 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.444 -0.236 18480 7351 1 10 . 1 1 105 105 PHE C C 105 179.224 179.224 178.035 1.189 18480 7352 1 10 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.583 2.539 18480 7353 1 10 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.938 0.629 18480 7354 1 10 . 1 1 105 105 PHE H H 105 8.647 8.647 7.731 0.916 18480 7355 1 10 . 1 1 106 106 LEU N N 106 121.925 121.925 116.011 5.914 18480 7356 1 10 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.067 -0.368 18480 7357 1 10 . 1 1 106 106 LEU C C 106 179.074 179.074 178.615 0.459 18480 7358 1 10 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.960 2.095 18480 7359 1 10 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.068 0.394 18480 7360 1 10 . 1 1 106 106 LEU H H 106 8.450 8.450 7.523 0.927 18480 7361 1 10 . 1 1 107 107 GLN N N 107 115.214 115.214 117.746 -2.532 18480 7362 1 10 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.335 -0.233 18480 7363 1 10 . 1 1 107 107 GLN C C 107 176.822 176.822 177.314 -0.492 18480 7364 1 10 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.735 -0.149 18480 7365 1 10 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.059 0.220 18480 7366 1 10 . 1 1 107 107 GLN H H 107 8.444 8.444 7.498 0.946 18480 7367 1 10 . 1 1 108 108 THR N N 108 109.014 109.014 112.785 -3.771 18480 7368 1 10 . 1 1 108 108 THR HA H 108 4.369 4.369 4.402 -0.033 18480 7369 1 10 . 1 1 108 108 THR C C 108 175.952 175.952 176.182 -0.230 18480 7370 1 10 . 1 1 108 108 THR CA C 108 63.658 63.658 63.459 0.199 18480 7371 1 10 . 1 1 108 108 THR CB C 108 70.179 70.179 69.320 0.859 18480 7372 1 10 . 1 1 108 108 THR H H 108 7.631 7.631 7.764 -0.133 18480 7373 1 10 . 1 1 109 109 THR N N 109 110.844 110.844 112.466 -1.622 18480 7374 1 10 . 1 1 109 109 THR HA H 109 4.477 4.477 4.285 0.192 18480 7375 1 10 . 1 1 109 109 THR C C 109 176.162 176.162 176.089 0.073 18480 7376 1 10 . 1 1 109 109 THR CA C 109 61.728 61.728 62.960 -1.232 18480 7377 1 10 . 1 1 109 109 THR CB C 109 70.659 70.659 70.280 0.379 18480 7378 1 10 . 1 1 109 109 THR H H 109 8.623 8.623 7.766 0.857 18480 7379 1 10 . 1 1 110 110 GLY N N 110 109.549 109.549 109.844 -0.295 18480 7380 1 10 . 1 1 110 110 GLY C C 110 172.889 172.889 173.277 -0.388 18480 7381 1 10 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.860 0.683 18480 7382 1 10 . 1 1 110 110 GLY H H 110 8.113 8.113 8.343 -0.230 18480 7383 1 10 . 1 1 111 111 VAL N N 111 118.903 118.903 118.689 0.214 18480 7384 1 10 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.437 -0.181 18480 7385 1 10 . 1 1 111 111 VAL C C 111 174.421 174.421 173.980 0.441 18480 7386 1 10 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.235 0.526 18480 7387 1 10 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.109 1.401 18480 7388 1 10 . 1 1 111 111 VAL H H 111 7.724 7.724 7.551 0.173 18480 7389 1 10 . 1 1 112 112 VAL N N 112 124.398 124.398 124.891 -0.493 18480 7390 1 10 . 1 1 112 112 VAL HA H 112 3.233 3.233 3.949 -0.716 18480 7391 1 10 . 1 1 112 112 VAL C C 112 174.646 174.646 175.706 -1.060 18480 7392 1 10 . 1 1 112 112 VAL CA C 112 63.735 63.735 61.313 2.421 18480 7393 1 10 . 1 1 112 112 VAL CB C 112 32.806 32.806 32.277 0.529 18480 7394 1 10 . 1 1 112 112 VAL H H 112 8.627 8.627 8.398 0.229 18480 7395 1 10 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.347 0.222 18480 7396 1 10 . 1 1 113 113 ASN CA C 113 51.207 51.207 54.615 -3.408 18480 7397 1 10 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.681 -0.300 18480 7398 1 10 . 1 1 114 114 GLN N N 114 125.364 125.364 114.484 10.880 18480 7399 1 10 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.091 -0.151 18480 7400 1 10 . 1 1 114 114 GLN C C 114 174.811 174.811 173.966 0.845 18480 7401 1 10 . 1 1 114 114 GLN CA C 114 59.636 59.636 58.647 0.989 18480 7402 1 10 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.499 -0.407 18480 7403 1 10 . 1 1 114 114 GLN H H 114 8.731 8.731 7.960 0.771 18480 7404 1 10 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.319 -0.050 18480 7405 1 10 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.512 1.149 18480 7406 1 10 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.474 -0.277 18480 7407 1 10 . 1 1 116 116 PHE N N 116 118.102 118.102 118.813 -0.711 18480 7408 1 10 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.221 0.040 18480 7409 1 10 . 1 1 116 116 PHE C C 116 176.597 176.597 177.371 -0.774 18480 7410 1 10 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.837 -0.547 18480 7411 1 10 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.323 0.257 18480 7412 1 10 . 1 1 116 116 PHE H H 116 7.712 7.712 8.151 -0.439 18480 7413 1 10 . 1 1 117 117 ILE N N 117 118.950 118.950 118.153 0.797 18480 7414 1 10 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.848 -0.194 18480 7415 1 10 . 1 1 117 117 ILE C C 117 178.789 178.789 178.170 0.619 18480 7416 1 10 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.530 1.110 18480 7417 1 10 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.569 -0.055 18480 7418 1 10 . 1 1 117 117 ILE H H 117 7.747 7.747 7.971 -0.224 18480 7419 1 10 . 1 1 118 118 ASN N N 118 119.204 119.204 118.997 0.207 18480 7420 1 10 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.489 -0.122 18480 7421 1 10 . 1 1 118 118 ASN C C 118 177.033 177.033 178.198 -1.165 18480 7422 1 10 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.992 -0.211 18480 7423 1 10 . 1 1 118 118 ASN CB C 118 37.485 37.485 37.998 -0.513 18480 7424 1 10 . 1 1 118 118 ASN H H 118 8.847 8.847 7.672 1.175 18480 7425 1 10 . 1 1 119 119 GLU N N 119 120.684 120.684 119.564 1.120 18480 7426 1 10 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.086 -0.121 18480 7427 1 10 . 1 1 119 119 GLU C C 119 178.564 178.564 178.370 0.194 18480 7428 1 10 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.267 0.847 18480 7429 1 10 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.012 -0.495 18480 7430 1 10 . 1 1 119 119 GLU H H 119 8.081 8.081 7.806 0.275 18480 7431 1 10 . 1 1 120 120 ILE N N 120 118.037 118.037 119.327 -1.290 18480 7432 1 10 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.755 -0.183 18480 7433 1 10 . 1 1 120 120 ILE C C 120 178.279 178.279 178.271 0.008 18480 7434 1 10 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.791 -0.693 18480 7435 1 10 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.596 -1.344 18480 7436 1 10 . 1 1 120 120 ILE H H 120 7.948 7.948 7.863 0.085 18480 7437 1 10 . 1 1 121 121 THR N N 121 113.671 113.671 112.152 1.519 18480 7438 1 10 . 1 1 121 121 THR HA H 121 3.804 3.804 4.060 -0.256 18480 7439 1 10 . 1 1 121 121 THR C C 121 177.258 177.258 176.692 0.566 18480 7440 1 10 . 1 1 121 121 THR CA C 121 66.771 66.771 65.830 0.941 18480 7441 1 10 . 1 1 121 121 THR CB C 121 68.293 68.293 68.249 0.045 18480 7442 1 10 . 1 1 121 121 THR H H 121 8.345 8.345 7.720 0.625 18480 7443 1 10 . 1 1 122 122 GLN N N 122 121.849 121.849 120.174 1.675 18480 7444 1 10 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.069 -0.070 18480 7445 1 10 . 1 1 122 122 GLN C C 122 179.014 179.014 177.274 1.740 18480 7446 1 10 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.163 0.603 18480 7447 1 10 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.271 0.161 18480 7448 1 10 . 1 1 122 122 GLN H H 122 7.589 7.589 7.382 0.207 18480 7449 1 10 . 1 1 123 123 LEU N N 123 120.855 120.855 118.222 2.633 18480 7450 1 10 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.755 -0.337 18480 7451 1 10 . 1 1 123 123 LEU C C 123 178.354 178.354 178.727 -0.373 18480 7452 1 10 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.453 0.363 18480 7453 1 10 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.957 -1.106 18480 7454 1 10 . 1 1 123 123 LEU H H 123 8.081 8.081 7.452 0.629 18480 7455 1 10 . 1 1 124 124 VAL N N 124 115.864 115.864 116.738 -0.874 18480 7456 1 10 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.858 -0.508 18480 7457 1 10 . 1 1 124 124 VAL C C 124 177.453 177.453 178.051 -0.598 18480 7458 1 10 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.049 1.424 18480 7459 1 10 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.480 0.126 18480 7460 1 10 . 1 1 124 124 VAL H H 124 7.574 7.574 7.579 -0.005 18480 7461 1 10 . 1 1 125 125 SER N N 125 110.334 110.334 112.886 -2.552 18480 7462 1 10 . 1 1 125 125 SER HA H 125 4.054 4.054 4.456 -0.402 18480 7463 1 10 . 1 1 125 125 SER C C 125 175.937 175.937 174.326 1.611 18480 7464 1 10 . 1 1 125 125 SER CA C 125 61.763 61.763 59.084 2.679 18480 7465 1 10 . 1 1 125 125 SER CB C 125 62.864 62.864 62.259 0.605 18480 7466 1 10 . 1 1 125 125 SER H H 125 6.950 6.950 7.456 -0.506 18480 7467 1 10 . 1 1 126 126 MET N N 126 121.750 121.750 117.012 4.738 18480 7468 1 10 . 1 1 126 126 MET HA H 126 3.951 3.951 4.517 -0.566 18480 7469 1 10 . 1 1 126 126 MET C C 126 179.254 179.254 177.497 1.757 18480 7470 1 10 . 1 1 126 126 MET CA C 126 59.246 59.246 57.782 1.464 18480 7471 1 10 . 1 1 126 126 MET CB C 126 33.265 33.265 33.128 0.137 18480 7472 1 10 . 1 1 126 126 MET H H 126 8.113 8.113 7.392 0.721 18480 7473 1 10 . 1 1 127 127 PHE N N 127 118.909 118.909 119.135 -0.226 18480 7474 1 10 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.296 0.347 18480 7475 1 10 . 1 1 127 127 PHE C C 127 178.128 178.128 177.280 0.848 18480 7476 1 10 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.296 -3.537 18480 7477 1 10 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.684 -0.623 18480 7478 1 10 . 1 1 127 127 PHE H H 127 8.791 8.791 7.562 1.229 18480 7479 1 10 . 1 1 128 128 ALA N N 128 122.620 122.620 121.425 1.195 18480 7480 1 10 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.172 0.004 18480 7481 1 10 . 1 1 128 128 ALA C C 128 178.789 178.789 178.732 0.057 18480 7482 1 10 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.506 0.159 18480 7483 1 10 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.526 0.640 18480 7484 1 10 . 1 1 128 128 ALA H H 128 8.235 8.235 7.963 0.272 18480 7485 1 10 . 1 1 129 129 GLN N N 129 116.507 116.507 116.627 -0.120 18480 7486 1 10 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.267 -0.042 18480 7487 1 10 . 1 1 129 129 GLN C C 129 177.258 177.258 178.001 -0.743 18480 7488 1 10 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.344 -0.326 18480 7489 1 10 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.724 0.401 18480 7490 1 10 . 1 1 129 129 GLN H H 129 7.715 7.715 7.682 0.033 18480 7491 1 10 . 1 1 130 130 ALA N N 130 122.020 122.020 121.596 0.424 18480 7492 1 10 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.207 0.013 18480 7493 1 10 . 1 1 130 130 ALA C C 130 178.564 178.564 178.770 -0.206 18480 7494 1 10 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.353 0.453 18480 7495 1 10 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.967 -0.007 18480 7496 1 10 . 1 1 130 130 ALA H H 130 7.775 7.775 7.333 0.442 18480 7497 1 10 . 1 1 131 131 GLY N N 131 106.006 106.006 106.293 -0.287 18480 7498 1 10 . 1 1 131 131 GLY C C 131 173.970 173.970 175.114 -1.144 18480 7499 1 10 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.094 0.018 18480 7500 1 10 . 1 1 131 131 GLY H H 131 8.110 8.110 7.922 0.188 18480 7501 1 10 . 1 1 132 132 MET N N 132 118.637 118.637 115.763 2.874 18480 7502 1 10 . 1 1 132 132 MET HA H 132 4.401 4.401 4.503 -0.102 18480 7503 1 10 . 1 1 132 132 MET C C 132 175.952 175.952 175.944 0.008 18480 7504 1 10 . 1 1 132 132 MET CA C 132 56.375 56.375 55.003 1.372 18480 7505 1 10 . 1 1 132 132 MET CB C 132 32.939 32.939 30.657 2.282 18480 7506 1 10 . 1 1 132 132 MET H H 132 7.945 7.945 8.142 -0.197 18480 7507 1 10 . 1 1 133 133 ASN N N 133 117.955 117.955 117.645 0.310 18480 7508 1 10 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.561 0.210 18480 7509 1 10 . 1 1 133 133 ASN C C 133 174.646 174.646 175.683 -1.037 18480 7510 1 10 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.545 -1.057 18480 7511 1 10 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.936 1.440 18480 7512 1 10 . 1 1 133 133 ASN H H 133 8.283 8.283 7.913 0.370 18480 7513 1 10 . 1 1 134 134 ASP N N 134 120.891 120.891 119.898 0.993 18480 7514 1 10 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.703 -0.084 18480 7515 1 10 . 1 1 134 134 ASP C C 134 176.162 176.162 176.372 -0.210 18480 7516 1 10 . 1 1 134 134 ASP CA C 134 54.401 54.401 54.006 0.395 18480 7517 1 10 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.491 -1.318 18480 7518 1 10 . 1 1 134 134 ASP H H 134 8.192 8.192 8.109 0.083 18480 7519 1 10 . 1 1 135 135 VAL N N 135 119.737 119.737 117.732 2.005 18480 7520 1 10 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.740 0.440 18480 7521 1 10 . 1 1 135 135 VAL C C 135 176.162 176.162 175.742 0.420 18480 7522 1 10 . 1 1 135 135 VAL CA C 135 62.146 62.146 62.595 -0.449 18480 7523 1 10 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.206 2.525 18480 7524 1 10 . 1 1 135 135 VAL H H 135 8.056 8.056 7.477 0.579 18480 7525 1 10 . 1 1 136 136 SER N N 136 119.689 119.689 122.103 -2.414 18480 7526 1 10 . 1 1 136 136 SER HA H 136 4.427 4.427 4.422 0.005 18480 7527 1 10 . 1 1 136 136 SER C C 136 173.325 173.325 174.507 -1.182 18480 7528 1 10 . 1 1 136 136 SER CA C 136 58.351 58.351 58.638 -0.287 18480 7529 1 10 . 1 1 136 136 SER CB C 136 64.031 64.031 61.943 2.088 18480 7530 1 10 . 1 1 136 136 SER H H 136 8.355 8.355 8.567 -0.212 18480 7531 1 11 . 1 1 3 3 GLY N N 3 110.996 110.996 110.186 0.810 18480 7532 1 11 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.627 0.849 18480 7533 1 11 . 1 1 3 3 GLY H H 3 8.591 8.591 8.002 0.589 18480 7534 1 11 . 1 1 4 4 ASN N N 4 118.637 118.637 119.201 -0.564 18480 7535 1 11 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.593 0.135 18480 7536 1 11 . 1 1 4 4 ASN CA C 4 53.170 53.170 54.266 -1.096 18480 7537 1 11 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.333 0.731 18480 7538 1 11 . 1 1 4 4 ASN H H 4 8.318 8.318 8.055 0.263 18480 7539 1 11 . 1 1 5 5 SER N N 5 116.285 116.285 115.393 0.892 18480 7540 1 11 . 1 1 5 5 SER HA H 5 4.352 4.352 4.665 -0.313 18480 7541 1 11 . 1 1 5 5 SER CA C 5 58.593 58.593 58.005 0.588 18480 7542 1 11 . 1 1 5 5 SER CB C 5 63.633 63.633 63.449 0.184 18480 7543 1 11 . 1 1 5 5 SER H H 5 8.280 8.280 8.121 0.159 18480 7544 1 11 . 1 1 6 6 HIS N N 6 119.777 119.777 124.052 -4.275 18480 7545 1 11 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.760 -0.022 18480 7546 1 11 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.161 -0.817 18480 7547 1 11 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.314 -1.986 18480 7548 1 11 . 1 1 6 6 HIS H H 6 8.460 8.460 8.602 -0.142 18480 7549 1 11 . 1 1 7 7 THR N N 7 115.111 115.111 113.251 1.860 18480 7550 1 11 . 1 1 7 7 THR HA H 7 4.217 4.217 4.410 -0.193 18480 7551 1 11 . 1 1 7 7 THR C C 7 173.970 173.970 172.474 1.496 18480 7552 1 11 . 1 1 7 7 THR CA C 7 62.118 62.118 61.071 1.047 18480 7553 1 11 . 1 1 7 7 THR CB C 7 69.871 69.871 69.113 0.758 18480 7554 1 11 . 1 1 7 7 THR H H 7 8.202 8.202 8.053 0.149 18480 7555 1 11 . 1 1 8 8 THR N N 8 113.695 113.695 114.134 -0.439 18480 7556 1 11 . 1 1 8 8 THR HA H 8 4.439 4.439 4.485 -0.046 18480 7557 1 11 . 1 1 8 8 THR C C 8 172.664 172.664 172.564 0.100 18480 7558 1 11 . 1 1 8 8 THR CA C 8 58.847 58.847 59.725 -0.878 18480 7559 1 11 . 1 1 8 8 THR CB C 8 62.183 62.183 68.724 -6.541 18480 7560 1 11 . 1 1 8 8 THR H H 8 8.113 8.113 7.839 0.274 18480 7561 1 11 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.308 -0.343 18480 7562 1 11 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.726 -1.290 18480 7563 1 11 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.492 -0.321 18480 7564 1 11 . 1 1 10 10 TRP N N 10 108.872 108.872 111.385 -2.513 18480 7565 1 11 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.948 -0.359 18480 7566 1 11 . 1 1 10 10 TRP C C 10 175.817 175.817 175.991 -0.174 18480 7567 1 11 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.878 0.294 18480 7568 1 11 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.312 -1.337 18480 7569 1 11 . 1 1 10 10 TRP H H 10 6.511 6.511 7.000 -0.489 18480 7570 1 11 . 1 1 11 11 THR N N 11 113.736 113.736 116.036 -2.300 18480 7571 1 11 . 1 1 11 11 THR HA H 11 3.899 3.899 4.231 -0.332 18480 7572 1 11 . 1 1 11 11 THR C C 11 173.970 173.970 173.391 0.579 18480 7573 1 11 . 1 1 11 11 THR CA C 11 65.731 65.731 63.745 1.986 18480 7574 1 11 . 1 1 11 11 THR CB C 11 69.609 69.609 68.829 0.780 18480 7575 1 11 . 1 1 11 11 THR H H 11 7.310 7.310 7.581 -0.271 18480 7576 1 11 . 1 1 12 12 ASN N N 12 112.814 112.814 115.578 -2.764 18480 7577 1 11 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.059 -0.387 18480 7578 1 11 . 1 1 12 12 ASN C C 12 172.889 172.889 173.521 -0.632 18480 7579 1 11 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.136 0.992 18480 7580 1 11 . 1 1 12 12 ASN CB C 12 38.699 38.699 39.045 -0.346 18480 7581 1 11 . 1 1 12 12 ASN H H 12 7.234 7.234 7.296 -0.062 18480 7582 1 11 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.272 -0.190 18480 7583 1 11 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.315 0.327 18480 7584 1 11 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.936 0.117 18480 7585 1 11 . 1 1 14 14 GLY N N 14 107.424 107.424 107.624 -0.200 18480 7586 1 11 . 1 1 14 14 GLY C C 14 175.952 175.952 176.381 -0.429 18480 7587 1 11 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.937 0.253 18480 7588 1 11 . 1 1 14 14 GLY H H 14 8.288 8.288 7.914 0.374 18480 7589 1 11 . 1 1 15 15 LEU N N 15 122.906 122.906 122.357 0.549 18480 7590 1 11 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.053 -0.023 18480 7591 1 11 . 1 1 15 15 LEU C C 15 178.564 178.564 178.991 -0.427 18480 7592 1 11 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.925 0.952 18480 7593 1 11 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.666 0.650 18480 7594 1 11 . 1 1 15 15 LEU H H 15 7.956 7.956 8.666 -0.710 18480 7595 1 11 . 1 1 16 16 ALA N N 16 122.949 122.949 122.565 0.384 18480 7596 1 11 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.172 -0.067 18480 7597 1 11 . 1 1 16 16 ALA C C 16 179.104 179.104 179.666 -0.562 18480 7598 1 11 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.068 0.912 18480 7599 1 11 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.653 0.482 18480 7600 1 11 . 1 1 16 16 ALA H H 16 7.598 7.598 7.901 -0.303 18480 7601 1 11 . 1 1 17 17 GLU N N 17 116.632 116.632 117.523 -0.891 18480 7602 1 11 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.038 -0.218 18480 7603 1 11 . 1 1 17 17 GLU C C 17 177.993 177.993 178.429 -0.436 18480 7604 1 11 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.474 0.575 18480 7605 1 11 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.195 -0.474 18480 7606 1 11 . 1 1 17 17 GLU H H 17 8.097 8.097 7.991 0.106 18480 7607 1 11 . 1 1 18 18 ASN N N 18 117.645 117.645 119.637 -1.992 18480 7608 1 11 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.376 0.051 18480 7609 1 11 . 1 1 18 18 ASN C C 18 178.347 178.347 177.233 1.114 18480 7610 1 11 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.619 -0.525 18480 7611 1 11 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.664 -0.540 18480 7612 1 11 . 1 1 18 18 ASN H H 18 8.196 8.196 7.954 0.242 18480 7613 1 11 . 1 1 19 19 PHE N N 19 123.188 123.188 120.170 3.018 18480 7614 1 11 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.149 -0.199 18480 7615 1 11 . 1 1 19 19 PHE C C 19 176.837 176.837 177.362 -0.525 18480 7616 1 11 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.960 -0.063 18480 7617 1 11 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.895 0.834 18480 7618 1 11 . 1 1 19 19 PHE H H 19 8.868 8.868 8.611 0.257 18480 7619 1 11 . 1 1 20 20 MET N N 20 118.140 118.140 117.655 0.485 18480 7620 1 11 . 1 1 20 20 MET HA H 20 3.303 3.303 3.932 -0.629 18480 7621 1 11 . 1 1 20 20 MET C C 20 178.924 178.924 178.322 0.602 18480 7622 1 11 . 1 1 20 20 MET CA C 20 60.043 60.043 59.131 0.912 18480 7623 1 11 . 1 1 20 20 MET CB C 20 33.527 33.527 31.837 1.690 18480 7624 1 11 . 1 1 20 20 MET H H 20 7.644 7.644 7.514 0.130 18480 7625 1 11 . 1 1 21 21 ASN N N 21 116.213 116.213 118.815 -2.602 18480 7626 1 11 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.338 0.115 18480 7627 1 11 . 1 1 21 21 ASN C C 21 178.249 178.249 177.699 0.550 18480 7628 1 11 . 1 1 21 21 ASN CA C 21 55.949 55.949 57.216 -1.267 18480 7629 1 11 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.280 -0.183 18480 7630 1 11 . 1 1 21 21 ASN H H 21 8.169 8.169 8.412 -0.243 18480 7631 1 11 . 1 1 22 22 SER N N 22 117.086 117.086 115.534 1.552 18480 7632 1 11 . 1 1 22 22 SER HA H 22 4.152 4.152 4.577 -0.425 18480 7633 1 11 . 1 1 22 22 SER C C 22 178.143 178.143 176.320 1.823 18480 7634 1 11 . 1 1 22 22 SER CA C 22 62.154 62.154 61.154 1.000 18480 7635 1 11 . 1 1 22 22 SER CB C 22 62.709 62.709 63.262 -0.553 18480 7636 1 11 . 1 1 22 22 SER H H 22 8.650 8.650 8.467 0.183 18480 7637 1 11 . 1 1 23 23 PHE N N 23 124.044 124.044 124.386 -0.342 18480 7638 1 11 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.073 -0.205 18480 7639 1 11 . 1 1 23 23 PHE C C 23 175.652 175.652 176.875 -1.223 18480 7640 1 11 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.954 1.164 18480 7641 1 11 . 1 1 23 23 PHE CB C 23 38.250 38.250 38.852 -0.602 18480 7642 1 11 . 1 1 23 23 PHE H H 23 8.394 8.394 8.029 0.365 18480 7643 1 11 . 1 1 24 24 MET N N 24 117.794 117.794 117.031 0.763 18480 7644 1 11 . 1 1 24 24 MET HA H 24 4.177 4.177 3.734 0.443 18480 7645 1 11 . 1 1 24 24 MET C C 24 179.797 179.797 178.767 1.030 18480 7646 1 11 . 1 1 24 24 MET CA C 24 56.498 56.498 57.183 -0.685 18480 7647 1 11 . 1 1 24 24 MET CB C 24 31.903 31.903 30.965 0.938 18480 7648 1 11 . 1 1 24 24 MET H H 24 7.781 7.781 8.457 -0.676 18480 7649 1 11 . 1 1 25 25 GLN N N 25 119.477 119.477 119.083 0.394 18480 7650 1 11 . 1 1 25 25 GLN HA H 25 3.964 3.964 3.891 0.073 18480 7651 1 11 . 1 1 25 25 GLN C C 25 179.870 179.870 178.744 1.126 18480 7652 1 11 . 1 1 25 25 GLN CA C 25 58.748 58.748 59.192 -0.444 18480 7653 1 11 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.484 -0.100 18480 7654 1 11 . 1 1 25 25 GLN H H 25 8.233 8.233 7.852 0.381 18480 7655 1 11 . 1 1 26 26 GLY N N 26 107.052 107.052 107.695 -0.643 18480 7656 1 11 . 1 1 26 26 GLY C C 26 176.387 176.387 176.557 -0.170 18480 7657 1 11 . 1 1 26 26 GLY CA C 26 46.673 46.673 46.535 0.138 18480 7658 1 11 . 1 1 26 26 GLY H H 26 7.936 7.936 8.178 -0.242 18480 7659 1 11 . 1 1 27 27 LEU N N 27 122.471 122.471 122.980 -0.509 18480 7660 1 11 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.866 -0.148 18480 7661 1 11 . 1 1 27 27 LEU C C 27 178.564 178.564 178.592 -0.028 18480 7662 1 11 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.408 0.785 18480 7663 1 11 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.278 0.415 18480 7664 1 11 . 1 1 27 27 LEU H H 27 8.157 8.157 8.265 -0.108 18480 7665 1 11 . 1 1 28 28 SER N N 28 109.215 109.215 112.863 -3.648 18480 7666 1 11 . 1 1 28 28 SER HA H 28 4.064 4.064 4.251 -0.187 18480 7667 1 11 . 1 1 28 28 SER C C 28 174.421 174.421 175.160 -0.739 18480 7668 1 11 . 1 1 28 28 SER CA C 28 61.444 61.444 59.833 1.611 18480 7669 1 11 . 1 1 28 28 SER CB C 28 63.210 63.210 62.780 0.430 18480 7670 1 11 . 1 1 28 28 SER H H 28 7.469 7.469 8.001 -0.532 18480 7671 1 11 . 1 1 29 29 SER N N 29 114.308 114.308 115.415 -1.107 18480 7672 1 11 . 1 1 29 29 SER HA H 29 4.667 4.667 4.552 0.115 18480 7673 1 11 . 1 1 29 29 SER C C 29 173.970 173.970 173.939 0.031 18480 7674 1 11 . 1 1 29 29 SER CA C 29 57.914 57.914 58.414 -0.500 18480 7675 1 11 . 1 1 29 29 SER CB C 29 64.359 64.359 63.863 0.496 18480 7676 1 11 . 1 1 29 29 SER H H 29 7.383 7.383 7.504 -0.121 18480 7677 1 11 . 1 1 30 30 MET N N 30 122.604 122.604 122.118 0.486 18480 7678 1 11 . 1 1 30 30 MET HA H 30 4.882 4.882 4.921 -0.039 18480 7679 1 11 . 1 1 30 30 MET C C 30 174.195 174.195 175.517 -1.322 18480 7680 1 11 . 1 1 30 30 MET CA C 30 53.753 53.753 51.503 2.250 18480 7681 1 11 . 1 1 30 30 MET CB C 30 32.013 32.013 32.326 -0.313 18480 7682 1 11 . 1 1 30 30 MET H H 30 7.804 7.804 7.666 0.138 18480 7683 1 11 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.425 0.241 18480 7684 1 11 . 1 1 31 31 PRO CA C 31 63.697 63.697 65.082 -1.385 18480 7685 1 11 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.096 0.857 18480 7686 1 11 . 1 1 32 32 GLY N N 32 104.648 104.648 105.917 -1.269 18480 7687 1 11 . 1 1 32 32 GLY C C 32 172.454 172.454 173.848 -1.394 18480 7688 1 11 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.801 -0.380 18480 7689 1 11 . 1 1 32 32 GLY H H 32 8.363 8.363 7.924 0.439 18480 7690 1 11 . 1 1 33 33 PHE N N 33 116.917 116.917 118.976 -2.059 18480 7691 1 11 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.917 0.370 18480 7692 1 11 . 1 1 33 33 PHE C C 33 176.387 176.387 176.082 0.305 18480 7693 1 11 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.141 -0.239 18480 7694 1 11 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.782 0.508 18480 7695 1 11 . 1 1 33 33 PHE H H 33 8.118 8.118 7.566 0.552 18480 7696 1 11 . 1 1 34 34 THR N N 34 113.457 113.457 114.867 -1.410 18480 7697 1 11 . 1 1 34 34 THR HA H 34 4.494 4.494 4.752 -0.258 18480 7698 1 11 . 1 1 34 34 THR C C 34 175.066 175.066 175.302 -0.236 18480 7699 1 11 . 1 1 34 34 THR CA C 34 59.946 59.946 59.552 0.394 18480 7700 1 11 . 1 1 34 34 THR CB C 34 70.967 70.967 70.864 0.103 18480 7701 1 11 . 1 1 34 34 THR H H 34 8.727 8.727 8.623 0.104 18480 7702 1 11 . 1 1 35 35 ALA N N 35 122.737 122.737 124.624 -1.887 18480 7703 1 11 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.033 0.052 18480 7704 1 11 . 1 1 35 35 ALA C C 35 180.755 180.755 179.467 1.288 18480 7705 1 11 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.389 0.134 18480 7706 1 11 . 1 1 35 35 ALA CB C 35 18.070 18.070 17.957 0.113 18480 7707 1 11 . 1 1 35 35 ALA H H 35 8.913 8.913 8.642 0.271 18480 7708 1 11 . 1 1 36 36 SER N N 36 113.331 113.331 113.814 -0.483 18480 7709 1 11 . 1 1 36 36 SER HA H 36 4.244 4.244 4.137 0.107 18480 7710 1 11 . 1 1 36 36 SER C C 36 177.033 177.033 177.197 -0.164 18480 7711 1 11 . 1 1 36 36 SER CA C 36 61.453 61.453 61.948 -0.495 18480 7712 1 11 . 1 1 36 36 SER CB C 36 62.529 62.529 62.580 -0.050 18480 7713 1 11 . 1 1 36 36 SER H H 36 8.347 8.347 8.432 -0.085 18480 7714 1 11 . 1 1 37 37 GLN N N 37 122.548 122.548 121.123 1.425 18480 7715 1 11 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.143 -0.084 18480 7716 1 11 . 1 1 37 37 GLN C C 37 179.149 179.149 178.616 0.533 18480 7717 1 11 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.653 0.314 18480 7718 1 11 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.945 -0.924 18480 7719 1 11 . 1 1 37 37 GLN H H 37 7.500 7.500 7.495 0.005 18480 7720 1 11 . 1 1 38 38 LEU N N 38 117.948 117.948 120.207 -2.259 18480 7721 1 11 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.951 -0.059 18480 7722 1 11 . 1 1 38 38 LEU C C 38 179.675 179.675 179.225 0.450 18480 7723 1 11 . 1 1 38 38 LEU CA C 38 57.959 57.959 58.047 -0.088 18480 7724 1 11 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.739 -0.246 18480 7725 1 11 . 1 1 38 38 LEU H H 38 8.217 8.217 8.426 -0.209 18480 7726 1 11 . 1 1 39 39 ASP N N 39 120.923 120.923 117.780 3.143 18480 7727 1 11 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.315 0.096 18480 7728 1 11 . 1 1 39 39 ASP C C 39 179.224 179.224 177.904 1.320 18480 7729 1 11 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.846 -0.240 18480 7730 1 11 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.946 0.882 18480 7731 1 11 . 1 1 39 39 ASP H H 39 8.192 8.192 8.471 -0.279 18480 7732 1 11 . 1 1 40 40 ASP N N 40 123.608 123.608 118.789 4.819 18480 7733 1 11 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.575 -0.358 18480 7734 1 11 . 1 1 40 40 ASP C C 40 179.600 179.600 178.779 0.821 18480 7735 1 11 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.172 2.468 18480 7736 1 11 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.607 -2.295 18480 7737 1 11 . 1 1 40 40 ASP H H 40 8.366 8.366 7.580 0.786 18480 7738 1 11 . 1 1 41 41 MET N N 41 118.772 118.772 118.487 0.285 18480 7739 1 11 . 1 1 41 41 MET HA H 41 3.638 3.638 4.291 -0.653 18480 7740 1 11 . 1 1 41 41 MET C C 41 177.693 177.693 177.885 -0.192 18480 7741 1 11 . 1 1 41 41 MET CA C 41 60.513 60.513 58.834 1.679 18480 7742 1 11 . 1 1 41 41 MET CB C 41 34.320 34.320 32.125 2.195 18480 7743 1 11 . 1 1 41 41 MET H H 41 8.423 8.423 8.435 -0.012 18480 7744 1 11 . 1 1 42 42 SER N N 42 115.040 115.040 116.156 -1.116 18480 7745 1 11 . 1 1 42 42 SER HA H 42 4.168 4.168 4.281 -0.113 18480 7746 1 11 . 1 1 42 42 SER C C 42 177.483 177.483 176.424 1.059 18480 7747 1 11 . 1 1 42 42 SER CA C 42 61.923 61.923 61.494 0.429 18480 7748 1 11 . 1 1 42 42 SER CB C 42 63.084 63.084 62.808 0.276 18480 7749 1 11 . 1 1 42 42 SER H H 42 8.901 8.901 8.425 0.476 18480 7750 1 11 . 1 1 43 43 THR N N 43 118.747 118.747 118.540 0.207 18480 7751 1 11 . 1 1 43 43 THR HA H 43 3.914 3.914 4.107 -0.193 18480 7752 1 11 . 1 1 43 43 THR C C 43 177.258 177.258 176.554 0.704 18480 7753 1 11 . 1 1 43 43 THR CA C 43 67.017 67.017 66.388 0.629 18480 7754 1 11 . 1 1 43 43 THR CB C 43 69.500 69.500 68.757 0.743 18480 7755 1 11 . 1 1 43 43 THR H H 43 8.479 8.479 7.780 0.699 18480 7756 1 11 . 1 1 44 44 ILE N N 44 121.898 121.898 122.160 -0.262 18480 7757 1 11 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.700 0.003 18480 7758 1 11 . 1 1 44 44 ILE C C 44 178.564 178.564 177.646 0.918 18480 7759 1 11 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.862 -0.798 18480 7760 1 11 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.309 -1.100 18480 7761 1 11 . 1 1 44 44 ILE H H 44 7.807 7.807 7.547 0.260 18480 7762 1 11 . 1 1 45 45 ALA N N 45 124.002 124.002 123.109 0.893 18480 7763 1 11 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.906 0.136 18480 7764 1 11 . 1 1 45 45 ALA C C 45 179.404 179.404 179.264 0.140 18480 7765 1 11 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.608 0.933 18480 7766 1 11 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.309 0.149 18480 7767 1 11 . 1 1 45 45 ALA H H 45 9.145 9.145 8.069 1.076 18480 7768 1 11 . 1 1 46 46 GLN N N 46 115.753 115.753 115.958 -0.205 18480 7769 1 11 . 1 1 46 46 GLN HA H 46 4.023 4.023 3.993 0.030 18480 7770 1 11 . 1 1 46 46 GLN C C 46 179.014 179.014 178.327 0.687 18480 7771 1 11 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.096 0.857 18480 7772 1 11 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.402 -0.002 18480 7773 1 11 . 1 1 46 46 GLN H H 46 8.459 8.459 8.018 0.441 18480 7774 1 11 . 1 1 47 47 SER N N 47 116.041 116.041 117.411 -1.370 18480 7775 1 11 . 1 1 47 47 SER HA H 47 4.258 4.258 4.239 0.019 18480 7776 1 11 . 1 1 47 47 SER C C 47 177.483 177.483 176.472 1.011 18480 7777 1 11 . 1 1 47 47 SER CA C 47 62.328 62.328 61.324 1.004 18480 7778 1 11 . 1 1 47 47 SER CB C 47 63.154 63.154 63.152 0.002 18480 7779 1 11 . 1 1 47 47 SER H H 47 7.961 7.961 8.078 -0.117 18480 7780 1 11 . 1 1 48 48 MET N N 48 122.349 122.349 120.021 2.328 18480 7781 1 11 . 1 1 48 48 MET HA H 48 4.376 4.376 4.307 0.069 18480 7782 1 11 . 1 1 48 48 MET C C 48 177.798 177.798 178.403 -0.605 18480 7783 1 11 . 1 1 48 48 MET CA C 48 58.198 58.198 57.810 0.388 18480 7784 1 11 . 1 1 48 48 MET CB C 48 32.102 32.102 32.040 0.062 18480 7785 1 11 . 1 1 48 48 MET H H 48 8.508 8.508 8.403 0.105 18480 7786 1 11 . 1 1 49 49 VAL N N 49 122.061 122.061 116.262 5.799 18480 7787 1 11 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.680 -0.238 18480 7788 1 11 . 1 1 49 49 VAL C C 49 177.910 177.910 177.833 0.077 18480 7789 1 11 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.377 1.546 18480 7790 1 11 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.245 1.514 18480 7791 1 11 . 1 1 49 49 VAL H H 49 8.541 8.541 7.659 0.882 18480 7792 1 11 . 1 1 50 50 GLN N N 50 118.465 118.465 120.535 -2.070 18480 7793 1 11 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.132 -0.075 18480 7794 1 11 . 1 1 50 50 GLN C C 50 179.449 179.449 178.891 0.558 18480 7795 1 11 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.023 0.002 18480 7796 1 11 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.663 -0.656 18480 7797 1 11 . 1 1 50 50 GLN H H 50 8.165 8.165 7.621 0.544 18480 7798 1 11 . 1 1 51 51 SER N N 51 117.659 117.659 117.664 -0.005 18480 7799 1 11 . 1 1 51 51 SER HA H 51 3.854 3.854 4.156 -0.302 18480 7800 1 11 . 1 1 51 51 SER C C 51 176.374 176.374 176.798 -0.424 18480 7801 1 11 . 1 1 51 51 SER CA C 51 62.642 62.642 62.476 0.166 18480 7802 1 11 . 1 1 51 51 SER CB C 51 63.039 63.039 62.994 0.045 18480 7803 1 11 . 1 1 51 51 SER H H 51 8.199 8.199 8.296 -0.097 18480 7804 1 11 . 1 1 52 52 ILE N N 52 122.930 122.930 122.159 0.771 18480 7805 1 11 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.636 -0.256 18480 7806 1 11 . 1 1 52 52 ILE C C 52 178.684 178.684 177.604 1.080 18480 7807 1 11 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.301 1.014 18480 7808 1 11 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.773 -0.225 18480 7809 1 11 . 1 1 52 52 ILE H H 52 8.068 8.068 8.394 -0.326 18480 7810 1 11 . 1 1 53 53 GLN N N 53 118.774 118.774 118.943 -0.169 18480 7811 1 11 . 1 1 53 53 GLN HA H 53 3.913 3.913 4.004 -0.091 18480 7812 1 11 . 1 1 53 53 GLN C C 53 179.014 179.014 178.580 0.434 18480 7813 1 11 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.049 0.119 18480 7814 1 11 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.095 -0.077 18480 7815 1 11 . 1 1 53 53 GLN H H 53 8.459 8.459 8.040 0.419 18480 7816 1 11 . 1 1 54 54 SER N N 54 115.452 115.452 118.064 -2.612 18480 7817 1 11 . 1 1 54 54 SER HA H 54 4.294 4.294 4.209 0.085 18480 7818 1 11 . 1 1 54 54 SER C C 54 176.822 176.822 176.730 0.092 18480 7819 1 11 . 1 1 54 54 SER CA C 54 61.276 61.276 62.482 -1.206 18480 7820 1 11 . 1 1 54 54 SER CB C 54 62.873 62.873 62.930 -0.057 18480 7821 1 11 . 1 1 54 54 SER H H 54 8.330 8.330 8.125 0.205 18480 7822 1 11 . 1 1 55 55 LEU N N 55 121.066 121.066 121.496 -0.430 18480 7823 1 11 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.091 -0.110 18480 7824 1 11 . 1 1 55 55 LEU C C 55 179.434 179.434 178.448 0.986 18480 7825 1 11 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.476 0.500 18480 7826 1 11 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.548 1.058 18480 7827 1 11 . 1 1 55 55 LEU H H 55 8.211 8.211 7.946 0.265 18480 7828 1 11 . 1 1 56 56 ALA N N 56 122.497 122.497 122.826 -0.329 18480 7829 1 11 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.102 0.047 18480 7830 1 11 . 1 1 56 56 ALA C C 56 180.530 180.530 179.547 0.983 18480 7831 1 11 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.743 0.326 18480 7832 1 11 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.286 -0.324 18480 7833 1 11 . 1 1 56 56 ALA H H 56 8.902 8.902 8.389 0.513 18480 7834 1 11 . 1 1 57 57 ALA N N 57 122.922 122.922 120.142 2.780 18480 7835 1 11 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.063 0.094 18480 7836 1 11 . 1 1 57 57 ALA C C 57 179.344 179.344 179.734 -0.390 18480 7837 1 11 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.386 0.612 18480 7838 1 11 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.527 -0.498 18480 7839 1 11 . 1 1 57 57 ALA H H 57 8.140 8.140 8.103 0.037 18480 7840 1 11 . 1 1 58 58 GLN N N 58 113.359 113.359 115.329 -1.970 18480 7841 1 11 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.239 0.123 18480 7842 1 11 . 1 1 58 58 GLN C C 58 176.612 176.612 176.169 0.443 18480 7843 1 11 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.856 -0.258 18480 7844 1 11 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.323 1.752 18480 7845 1 11 . 1 1 58 58 GLN H H 58 7.415 7.415 7.697 -0.282 18480 7846 1 11 . 1 1 59 59 GLY N N 59 109.012 109.012 106.259 2.753 18480 7847 1 11 . 1 1 59 59 GLY C C 59 174.856 174.856 174.929 -0.073 18480 7848 1 11 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.467 1.294 18480 7849 1 11 . 1 1 59 59 GLY H H 59 7.979 7.979 7.558 0.421 18480 7850 1 11 . 1 1 60 60 ARG N N 60 115.906 115.906 117.608 -1.702 18480 7851 1 11 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.567 0.035 18480 7852 1 11 . 1 1 60 60 ARG C C 60 175.847 175.847 176.528 -0.681 18480 7853 1 11 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.316 1.492 18480 7854 1 11 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.512 1.894 18480 7855 1 11 . 1 1 60 60 ARG H H 60 8.126 8.126 8.578 -0.452 18480 7856 1 11 . 1 1 61 61 THR N N 61 107.985 107.985 115.177 -7.192 18480 7857 1 11 . 1 1 61 61 THR HA H 61 4.125 4.125 4.360 -0.235 18480 7858 1 11 . 1 1 61 61 THR C C 61 173.654 173.654 173.953 -0.299 18480 7859 1 11 . 1 1 61 61 THR CA C 61 62.194 62.194 62.210 -0.016 18480 7860 1 11 . 1 1 61 61 THR CB C 61 69.512 69.512 69.527 -0.015 18480 7861 1 11 . 1 1 61 61 THR H H 61 7.663 7.663 7.618 0.045 18480 7862 1 11 . 1 1 62 62 SER N N 62 113.733 113.733 118.233 -4.500 18480 7863 1 11 . 1 1 62 62 SER HA H 62 4.973 4.973 4.845 0.128 18480 7864 1 11 . 1 1 62 62 SER C C 62 173.207 173.207 173.620 -0.413 18480 7865 1 11 . 1 1 62 62 SER CA C 62 56.343 56.343 56.411 -0.069 18480 7866 1 11 . 1 1 62 62 SER CB C 62 63.992 63.992 65.349 -1.357 18480 7867 1 11 . 1 1 62 62 SER H H 62 7.057 7.057 8.126 -1.069 18480 7868 1 11 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.732 -0.030 18480 7869 1 11 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.757 0.543 18480 7870 1 11 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.084 0.152 18480 7871 1 11 . 1 1 64 64 ASN N N 64 114.886 114.886 115.958 -1.072 18480 7872 1 11 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.552 -0.150 18480 7873 1 11 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.746 0.505 18480 7874 1 11 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.610 0.427 18480 7875 1 11 . 1 1 64 64 ASN H H 64 8.642 8.642 8.806 -0.164 18480 7876 1 11 . 1 1 65 65 LYS N N 65 119.774 119.774 120.877 -1.103 18480 7877 1 11 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.139 -0.333 18480 7878 1 11 . 1 1 65 65 LYS C C 65 178.999 178.999 178.756 0.243 18480 7879 1 11 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.918 1.960 18480 7880 1 11 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.308 0.929 18480 7881 1 11 . 1 1 65 65 LYS H H 65 7.882 7.882 7.842 0.040 18480 7882 1 11 . 1 1 66 66 LEU N N 66 117.686 117.686 119.861 -2.175 18480 7883 1 11 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.945 0.077 18480 7884 1 11 . 1 1 66 66 LEU C C 66 178.928 178.928 178.589 0.339 18480 7885 1 11 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.842 0.075 18480 7886 1 11 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.797 -0.264 18480 7887 1 11 . 1 1 66 66 LEU H H 66 8.666 8.666 8.582 0.085 18480 7888 1 11 . 1 1 67 67 GLN N N 67 124.469 124.469 119.389 5.080 18480 7889 1 11 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.401 -0.109 18480 7890 1 11 . 1 1 67 67 GLN C C 67 178.789 178.789 177.887 0.902 18480 7891 1 11 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.929 0.962 18480 7892 1 11 . 1 1 67 67 GLN CB C 67 28.159 28.159 27.971 0.188 18480 7893 1 11 . 1 1 67 67 GLN H H 67 8.997 8.997 7.966 1.031 18480 7894 1 11 . 1 1 68 68 ALA N N 68 121.986 121.986 122.295 -0.309 18480 7895 1 11 . 1 1 68 68 ALA HA H 68 3.810 3.810 3.981 -0.171 18480 7896 1 11 . 1 1 68 68 ALA C C 68 180.320 180.320 179.802 0.518 18480 7897 1 11 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.981 0.521 18480 7898 1 11 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.083 0.129 18480 7899 1 11 . 1 1 68 68 ALA H H 68 7.427 7.427 7.792 -0.365 18480 7900 1 11 . 1 1 69 69 LEU N N 69 118.881 118.881 118.643 0.238 18480 7901 1 11 . 1 1 69 69 LEU HA H 69 4.052 4.052 3.924 0.128 18480 7902 1 11 . 1 1 69 69 LEU C C 69 178.864 178.864 179.097 -0.233 18480 7903 1 11 . 1 1 69 69 LEU CA C 69 57.747 57.747 57.839 -0.092 18480 7904 1 11 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.510 0.384 18480 7905 1 11 . 1 1 69 69 LEU H H 69 8.143 8.143 7.862 0.281 18480 7906 1 11 . 1 1 70 70 ASN N N 70 119.848 119.848 118.835 1.013 18480 7907 1 11 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.422 -0.031 18480 7908 1 11 . 1 1 70 70 ASN C C 70 177.483 177.483 177.764 -0.281 18480 7909 1 11 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.508 1.276 18480 7910 1 11 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.580 0.892 18480 7911 1 11 . 1 1 70 70 ASN H H 70 8.456 8.456 8.250 0.206 18480 7912 1 11 . 1 1 71 71 MET N N 71 118.843 118.843 119.028 -0.185 18480 7913 1 11 . 1 1 71 71 MET HA H 71 4.769 4.769 4.217 0.552 18480 7914 1 11 . 1 1 71 71 MET C C 71 178.279 178.279 178.569 -0.290 18480 7915 1 11 . 1 1 71 71 MET CA C 71 56.415 56.415 56.789 -0.374 18480 7916 1 11 . 1 1 71 71 MET CB C 71 29.788 29.788 31.106 -1.318 18480 7917 1 11 . 1 1 71 71 MET H H 71 7.757 7.757 8.237 -0.480 18480 7918 1 11 . 1 1 72 72 ALA N N 72 126.265 126.265 123.988 2.277 18480 7919 1 11 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.154 0.088 18480 7920 1 11 . 1 1 72 72 ALA C C 72 179.059 179.059 179.671 -0.612 18480 7921 1 11 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.095 0.031 18480 7922 1 11 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.192 0.731 18480 7923 1 11 . 1 1 72 72 ALA H H 72 8.559 8.559 8.593 -0.034 18480 7924 1 11 . 1 1 73 73 PHE N N 73 118.887 118.887 120.433 -1.546 18480 7925 1 11 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.469 -0.406 18480 7926 1 11 . 1 1 73 73 PHE C C 73 177.258 177.258 177.268 -0.010 18480 7927 1 11 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.178 0.894 18480 7928 1 11 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.312 -0.007 18480 7929 1 11 . 1 1 73 73 PHE H H 73 8.337 8.337 8.243 0.094 18480 7930 1 11 . 1 1 74 74 ALA N N 74 122.360 122.360 120.454 1.906 18480 7931 1 11 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.853 -0.622 18480 7932 1 11 . 1 1 74 74 ALA C C 74 179.374 179.374 178.653 0.721 18480 7933 1 11 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.569 1.247 18480 7934 1 11 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.276 0.605 18480 7935 1 11 . 1 1 74 74 ALA H H 74 8.540 8.540 8.033 0.507 18480 7936 1 11 . 1 1 75 75 SER N N 75 112.265 112.265 112.209 0.056 18480 7937 1 11 . 1 1 75 75 SER HA H 75 3.858 3.858 4.368 -0.510 18480 7938 1 11 . 1 1 75 75 SER CA C 75 62.251 62.251 60.571 1.680 18480 7939 1 11 . 1 1 75 75 SER CB C 75 62.874 62.874 64.002 -1.128 18480 7940 1 11 . 1 1 75 75 SER H H 75 8.859 8.859 8.294 0.565 18480 7941 1 11 . 1 1 76 76 SER N N 76 118.859 118.859 115.309 3.550 18480 7942 1 11 . 1 1 76 76 SER HA H 76 3.964 3.964 4.816 -0.853 18480 7943 1 11 . 1 1 76 76 SER CA C 76 63.066 63.066 60.104 2.962 18480 7944 1 11 . 1 1 76 76 SER CB C 76 63.377 63.377 63.291 0.085 18480 7945 1 11 . 1 1 76 76 SER H H 76 8.065 8.065 7.325 0.740 18480 7946 1 11 . 1 1 77 77 MET N N 77 120.030 120.030 119.091 0.939 18480 7947 1 11 . 1 1 77 77 MET HA H 77 4.234 4.234 4.632 -0.398 18480 7948 1 11 . 1 1 77 77 MET C C 77 178.354 178.354 176.924 1.430 18480 7949 1 11 . 1 1 77 77 MET CA C 77 57.167 57.167 55.388 1.779 18480 7950 1 11 . 1 1 77 77 MET CB C 77 32.728 32.728 32.203 0.525 18480 7951 1 11 . 1 1 77 77 MET H H 77 7.397 7.397 7.556 -0.159 18480 7952 1 11 . 1 1 78 78 ALA N N 78 119.880 119.880 123.614 -3.734 18480 7953 1 11 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.168 -0.265 18480 7954 1 11 . 1 1 78 78 ALA C C 78 178.354 178.354 179.096 -0.742 18480 7955 1 11 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.974 -0.834 18480 7956 1 11 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.794 0.307 18480 7957 1 11 . 1 1 78 78 ALA H H 78 7.908 7.908 7.353 0.555 18480 7958 1 11 . 1 1 79 79 GLU N N 79 117.907 117.907 117.871 0.036 18480 7959 1 11 . 1 1 79 79 GLU HA H 79 3.939 3.939 4.157 -0.218 18480 7960 1 11 . 1 1 79 79 GLU C C 79 178.894 178.894 178.531 0.363 18480 7961 1 11 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.048 0.652 18480 7962 1 11 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.391 1.256 18480 7963 1 11 . 1 1 79 79 GLU H H 79 8.576 8.576 8.062 0.514 18480 7964 1 11 . 1 1 80 80 ILE N N 80 121.918 121.918 120.524 1.394 18480 7965 1 11 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.928 -0.326 18480 7966 1 11 . 1 1 80 80 ILE C C 80 179.014 179.014 178.101 0.913 18480 7967 1 11 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.547 0.584 18480 7968 1 11 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.530 0.095 18480 7969 1 11 . 1 1 80 80 ILE H H 80 8.065 8.065 7.924 0.141 18480 7970 1 11 . 1 1 81 81 ALA N N 81 120.266 120.266 121.974 -1.708 18480 7971 1 11 . 1 1 81 81 ALA HA H 81 4.148 4.148 3.981 0.167 18480 7972 1 11 . 1 1 81 81 ALA C C 81 177.258 177.258 179.108 -1.850 18480 7973 1 11 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.650 0.490 18480 7974 1 11 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.536 0.619 18480 7975 1 11 . 1 1 81 81 ALA H H 81 8.169 8.169 7.599 0.570 18480 7976 1 11 . 1 1 82 82 ALA N N 82 114.813 114.813 121.509 -6.696 18480 7977 1 11 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.958 0.093 18480 7978 1 11 . 1 1 82 82 ALA C C 82 177.693 177.693 179.285 -1.592 18480 7979 1 11 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.863 -1.096 18480 7980 1 11 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.551 2.448 18480 7981 1 11 . 1 1 82 82 ALA H H 82 8.019 8.019 8.433 -0.414 18480 7982 1 11 . 1 1 83 83 SER N N 83 110.140 110.140 113.685 -3.545 18480 7983 1 11 . 1 1 83 83 SER HA H 83 4.415 4.415 4.257 0.158 18480 7984 1 11 . 1 1 83 83 SER C C 83 174.856 174.856 175.698 -0.842 18480 7985 1 11 . 1 1 83 83 SER CA C 83 59.772 59.772 60.556 -0.784 18480 7986 1 11 . 1 1 83 83 SER CB C 83 64.952 64.952 63.451 1.501 18480 7987 1 11 . 1 1 83 83 SER H H 83 7.823 7.823 8.230 -0.407 18480 7988 1 11 . 1 1 84 84 GLU N N 84 120.696 120.696 120.409 0.287 18480 7989 1 11 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.288 0.213 18480 7990 1 11 . 1 1 84 84 GLU C C 84 176.597 176.597 175.955 0.642 18480 7991 1 11 . 1 1 84 84 GLU CA C 84 56.596 56.596 56.523 0.073 18480 7992 1 11 . 1 1 84 84 GLU CB C 84 28.537 28.537 30.429 -1.892 18480 7993 1 11 . 1 1 84 84 GLU H H 84 7.666 7.666 7.668 -0.002 18480 7994 1 11 . 1 1 85 85 GLU N N 85 124.951 124.951 119.623 5.328 18480 7995 1 11 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.323 -0.061 18480 7996 1 11 . 1 1 85 85 GLU C C 85 177.258 177.258 176.190 1.068 18480 7997 1 11 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.849 1.996 18480 7998 1 11 . 1 1 85 85 GLU CB C 85 30.803 30.803 33.185 -2.382 18480 7999 1 11 . 1 1 85 85 GLU H H 85 8.735 8.735 8.336 0.399 18480 8000 1 11 . 1 1 86 86 GLY N N 86 110.356 110.356 106.923 3.433 18480 8001 1 11 . 1 1 86 86 GLY C C 86 174.856 174.856 174.531 0.325 18480 8002 1 11 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.114 -0.724 18480 8003 1 11 . 1 1 86 86 GLY H H 86 8.609 8.609 8.186 0.423 18480 8004 1 11 . 1 1 87 87 GLY N N 87 107.569 107.569 110.014 -2.445 18480 8005 1 11 . 1 1 87 87 GLY C C 87 174.436 174.436 174.239 0.197 18480 8006 1 11 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.944 -0.684 18480 8007 1 11 . 1 1 87 87 GLY H H 87 7.931 7.931 8.140 -0.209 18480 8008 1 11 . 1 1 88 88 GLY N N 88 109.889 109.889 106.968 2.921 18480 8009 1 11 . 1 1 88 88 GLY C C 88 173.325 173.325 172.498 0.827 18480 8010 1 11 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.955 0.211 18480 8011 1 11 . 1 1 88 88 GLY H H 88 8.650 8.650 7.359 1.291 18480 8012 1 11 . 1 1 89 89 SER N N 89 114.731 114.731 113.831 0.900 18480 8013 1 11 . 1 1 89 89 SER HA H 89 4.411 4.411 4.714 -0.303 18480 8014 1 11 . 1 1 89 89 SER C C 89 175.066 175.066 176.302 -1.236 18480 8015 1 11 . 1 1 89 89 SER CA C 89 57.363 57.363 55.550 1.813 18480 8016 1 11 . 1 1 89 89 SER CB C 89 62.483 62.483 64.632 -2.149 18480 8017 1 11 . 1 1 89 89 SER H H 89 8.640 8.640 7.940 0.700 18480 8018 1 11 . 1 1 90 90 LEU N N 90 123.210 123.210 122.764 0.446 18480 8019 1 11 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.001 -0.026 18480 8020 1 11 . 1 1 90 90 LEU C C 90 179.434 179.434 178.645 0.789 18480 8021 1 11 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.699 -0.356 18480 8022 1 11 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.746 -0.382 18480 8023 1 11 . 1 1 90 90 LEU H H 90 8.976 8.976 8.593 0.383 18480 8024 1 11 . 1 1 91 91 SER N N 91 115.789 115.789 112.670 3.119 18480 8025 1 11 . 1 1 91 91 SER HA H 91 4.149 4.149 4.359 -0.210 18480 8026 1 11 . 1 1 91 91 SER C C 91 177.325 177.325 175.499 1.826 18480 8027 1 11 . 1 1 91 91 SER CA C 91 61.794 61.794 61.441 0.353 18480 8028 1 11 . 1 1 91 91 SER CB C 91 62.276 62.276 62.421 -0.145 18480 8029 1 11 . 1 1 91 91 SER H H 91 8.612 8.612 8.360 0.252 18480 8030 1 11 . 1 1 92 92 THR N N 92 122.677 122.677 119.035 3.642 18480 8031 1 11 . 1 1 92 92 THR HA H 92 3.919 3.919 4.031 -0.112 18480 8032 1 11 . 1 1 92 92 THR C C 92 176.162 176.162 176.076 0.086 18480 8033 1 11 . 1 1 92 92 THR CA C 92 66.719 66.719 66.576 0.143 18480 8034 1 11 . 1 1 92 92 THR CB C 92 68.236 68.236 68.549 -0.313 18480 8035 1 11 . 1 1 92 92 THR H H 92 7.871 7.871 8.041 -0.170 18480 8036 1 11 . 1 1 93 93 LYS N N 93 119.820 119.820 117.127 2.693 18480 8037 1 11 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.392 -0.823 18480 8038 1 11 . 1 1 93 93 LYS CA C 93 60.652 60.652 57.706 2.946 18480 8039 1 11 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.520 2.208 18480 8040 1 11 . 1 1 93 93 LYS H H 93 8.263 8.263 7.847 0.416 18480 8041 1 11 . 1 1 94 94 THR N N 94 113.759 113.759 117.225 -3.466 18480 8042 1 11 . 1 1 94 94 THR HA H 94 3.692 3.692 4.349 -0.657 18480 8043 1 11 . 1 1 94 94 THR C C 94 177.033 177.033 176.032 1.001 18480 8044 1 11 . 1 1 94 94 THR CA C 94 68.122 68.122 66.511 1.611 18480 8045 1 11 . 1 1 94 94 THR CB C 94 68.342 68.342 69.605 -1.263 18480 8046 1 11 . 1 1 94 94 THR H H 94 8.448 8.448 7.308 1.140 18480 8047 1 11 . 1 1 95 95 SER N N 95 117.547 117.547 118.099 -0.552 18480 8048 1 11 . 1 1 95 95 SER HA H 95 4.262 4.262 4.266 -0.004 18480 8049 1 11 . 1 1 95 95 SER C C 95 177.828 177.828 176.771 1.057 18480 8050 1 11 . 1 1 95 95 SER CA C 95 61.758 61.758 61.973 -0.215 18480 8051 1 11 . 1 1 95 95 SER CB C 95 62.667 62.667 62.811 -0.144 18480 8052 1 11 . 1 1 95 95 SER H H 95 8.173 8.173 8.453 -0.280 18480 8053 1 11 . 1 1 96 96 SER N N 96 121.366 121.366 119.148 2.218 18480 8054 1 11 . 1 1 96 96 SER HA H 96 4.035 4.035 4.344 -0.309 18480 8055 1 11 . 1 1 96 96 SER CA C 96 62.467 62.467 62.463 0.004 18480 8056 1 11 . 1 1 96 96 SER CB C 96 61.755 61.755 62.911 -1.156 18480 8057 1 11 . 1 1 96 96 SER H H 96 8.830 8.830 7.814 1.016 18480 8058 1 11 . 1 1 97 97 ILE N N 97 121.943 121.943 122.170 -0.227 18480 8059 1 11 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.870 -0.061 18480 8060 1 11 . 1 1 97 97 ILE C C 97 177.693 177.693 177.670 0.023 18480 8061 1 11 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.253 0.789 18480 8062 1 11 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.799 -0.263 18480 8063 1 11 . 1 1 97 97 ILE H H 97 8.380 8.380 7.619 0.761 18480 8064 1 11 . 1 1 98 98 ALA N N 98 122.507 122.507 122.792 -0.285 18480 8065 1 11 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.038 0.002 18480 8066 1 11 . 1 1 98 98 ALA C C 98 180.740 180.740 179.652 1.088 18480 8067 1 11 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.569 0.819 18480 8068 1 11 . 1 1 98 98 ALA CB C 98 18.154 18.154 17.961 0.193 18480 8069 1 11 . 1 1 98 98 ALA H H 98 8.624 8.624 7.801 0.823 18480 8070 1 11 . 1 1 99 99 SER N N 99 115.850 115.850 114.164 1.686 18480 8071 1 11 . 1 1 99 99 SER HA H 99 4.325 4.325 4.207 0.118 18480 8072 1 11 . 1 1 99 99 SER C C 99 177.168 177.168 176.697 0.471 18480 8073 1 11 . 1 1 99 99 SER CA C 99 61.867 61.867 61.332 0.535 18480 8074 1 11 . 1 1 99 99 SER CB C 99 63.200 63.200 63.022 0.178 18480 8075 1 11 . 1 1 99 99 SER H H 99 8.667 8.667 8.367 0.300 18480 8076 1 11 . 1 1 100 100 ALA N N 100 124.410 124.410 124.402 0.008 18480 8077 1 11 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.032 0.110 18480 8078 1 11 . 1 1 100 100 ALA CA C 100 55.388 55.388 55.078 0.310 18480 8079 1 11 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.309 0.318 18480 8080 1 11 . 1 1 100 100 ALA H H 100 8.744 8.744 7.774 0.970 18480 8081 1 11 . 1 1 101 101 MET N N 101 119.346 119.346 118.361 0.985 18480 8082 1 11 . 1 1 101 101 MET HA H 101 4.368 4.368 4.122 0.246 18480 8083 1 11 . 1 1 101 101 MET CA C 101 59.163 59.163 60.072 -0.909 18480 8084 1 11 . 1 1 101 101 MET CB C 101 33.233 33.233 33.052 0.181 18480 8085 1 11 . 1 1 101 101 MET H H 101 9.152 9.152 8.996 0.156 18480 8086 1 11 . 1 1 102 102 SER N N 102 117.124 117.124 115.640 1.484 18480 8087 1 11 . 1 1 102 102 SER HA H 102 4.382 4.382 4.386 -0.004 18480 8088 1 11 . 1 1 102 102 SER CA C 102 63.424 63.424 62.614 0.810 18480 8089 1 11 . 1 1 102 102 SER CB C 102 62.639 62.639 62.913 -0.274 18480 8090 1 11 . 1 1 102 102 SER H H 102 8.766 8.766 8.422 0.344 18480 8091 1 11 . 1 1 103 103 ASN N N 103 118.601 118.601 119.695 -1.094 18480 8092 1 11 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.566 -0.100 18480 8093 1 11 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.912 0.727 18480 8094 1 11 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.622 -0.315 18480 8095 1 11 . 1 1 103 103 ASN H H 103 8.298 8.298 8.022 0.276 18480 8096 1 11 . 1 1 104 104 ALA N N 104 122.821 122.821 122.321 0.500 18480 8097 1 11 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.984 0.255 18480 8098 1 11 . 1 1 104 104 ALA C C 104 181.701 181.701 179.913 1.788 18480 8099 1 11 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.551 0.721 18480 8100 1 11 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.852 0.322 18480 8101 1 11 . 1 1 104 104 ALA H H 104 7.969 7.969 8.131 -0.162 18480 8102 1 11 . 1 1 105 105 PHE N N 105 119.585 119.585 118.336 1.249 18480 8103 1 11 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.458 -0.250 18480 8104 1 11 . 1 1 105 105 PHE C C 105 179.224 179.224 178.354 0.870 18480 8105 1 11 . 1 1 105 105 PHE CA C 105 64.122 64.122 62.021 2.101 18480 8106 1 11 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.936 0.631 18480 8107 1 11 . 1 1 105 105 PHE H H 105 8.647 8.647 8.215 0.432 18480 8108 1 11 . 1 1 106 106 LEU N N 106 121.925 121.925 117.679 4.246 18480 8109 1 11 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.019 -0.321 18480 8110 1 11 . 1 1 106 106 LEU C C 106 179.074 179.074 179.421 -0.347 18480 8111 1 11 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.624 1.431 18480 8112 1 11 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.195 0.267 18480 8113 1 11 . 1 1 106 106 LEU H H 106 8.450 8.450 7.667 0.783 18480 8114 1 11 . 1 1 107 107 GLN N N 107 115.214 115.214 117.724 -2.510 18480 8115 1 11 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.282 -0.180 18480 8116 1 11 . 1 1 107 107 GLN C C 107 176.822 176.822 177.648 -0.826 18480 8117 1 11 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.965 -0.379 18480 8118 1 11 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.634 0.645 18480 8119 1 11 . 1 1 107 107 GLN H H 107 8.444 8.444 7.943 0.501 18480 8120 1 11 . 1 1 108 108 THR N N 108 109.014 109.014 112.805 -3.791 18480 8121 1 11 . 1 1 108 108 THR HA H 108 4.369 4.369 4.356 0.013 18480 8122 1 11 . 1 1 108 108 THR C C 108 175.952 175.952 176.433 -0.481 18480 8123 1 11 . 1 1 108 108 THR CA C 108 63.658 63.658 64.115 -0.457 18480 8124 1 11 . 1 1 108 108 THR CB C 108 70.179 70.179 69.001 1.178 18480 8125 1 11 . 1 1 108 108 THR H H 108 7.631 7.631 7.934 -0.303 18480 8126 1 11 . 1 1 109 109 THR N N 109 110.844 110.844 113.243 -2.399 18480 8127 1 11 . 1 1 109 109 THR HA H 109 4.477 4.477 4.313 0.164 18480 8128 1 11 . 1 1 109 109 THR C C 109 176.162 176.162 176.287 -0.125 18480 8129 1 11 . 1 1 109 109 THR CA C 109 61.728 61.728 62.851 -1.123 18480 8130 1 11 . 1 1 109 109 THR CB C 109 70.659 70.659 69.790 0.869 18480 8131 1 11 . 1 1 109 109 THR H H 109 8.623 8.623 7.732 0.891 18480 8132 1 11 . 1 1 110 110 GLY N N 110 109.549 109.549 109.716 -0.167 18480 8133 1 11 . 1 1 110 110 GLY C C 110 172.889 172.889 173.250 -0.361 18480 8134 1 11 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.852 0.691 18480 8135 1 11 . 1 1 110 110 GLY H H 110 8.113 8.113 8.304 -0.191 18480 8136 1 11 . 1 1 111 111 VAL N N 111 118.903 118.903 118.312 0.591 18480 8137 1 11 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.420 -0.164 18480 8138 1 11 . 1 1 111 111 VAL C C 111 174.421 174.421 173.465 0.956 18480 8139 1 11 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.594 0.167 18480 8140 1 11 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.968 0.542 18480 8141 1 11 . 1 1 111 111 VAL H H 111 7.724 7.724 7.548 0.176 18480 8142 1 11 . 1 1 112 112 VAL N N 112 124.398 124.398 124.138 0.260 18480 8143 1 11 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.145 -0.912 18480 8144 1 11 . 1 1 112 112 VAL C C 112 174.646 174.646 175.186 -0.540 18480 8145 1 11 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.217 3.518 18480 8146 1 11 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.803 -0.997 18480 8147 1 11 . 1 1 112 112 VAL H H 112 8.627 8.627 8.365 0.262 18480 8148 1 11 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.424 0.145 18480 8149 1 11 . 1 1 113 113 ASN CA C 113 51.207 51.207 54.246 -3.039 18480 8150 1 11 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.532 -0.152 18480 8151 1 11 . 1 1 114 114 GLN N N 114 125.364 125.364 115.457 9.907 18480 8152 1 11 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.084 -0.144 18480 8153 1 11 . 1 1 114 114 GLN C C 114 174.811 174.811 174.141 0.670 18480 8154 1 11 . 1 1 114 114 GLN CA C 114 59.636 59.636 57.943 1.693 18480 8155 1 11 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.614 -0.522 18480 8156 1 11 . 1 1 114 114 GLN H H 114 8.731 8.731 7.879 0.852 18480 8157 1 11 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.289 -0.021 18480 8158 1 11 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.331 1.330 18480 8159 1 11 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.402 -0.205 18480 8160 1 11 . 1 1 116 116 PHE N N 116 118.102 118.102 118.729 -0.627 18480 8161 1 11 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.220 0.041 18480 8162 1 11 . 1 1 116 116 PHE C C 116 176.597 176.597 177.496 -0.899 18480 8163 1 11 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.540 -0.250 18480 8164 1 11 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.310 0.270 18480 8165 1 11 . 1 1 116 116 PHE H H 116 7.712 7.712 8.066 -0.354 18480 8166 1 11 . 1 1 117 117 ILE N N 117 118.950 118.950 117.238 1.712 18480 8167 1 11 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.955 -0.301 18480 8168 1 11 . 1 1 117 117 ILE C C 117 178.789 178.789 177.792 0.997 18480 8169 1 11 . 1 1 117 117 ILE CA C 117 64.640 64.640 62.914 1.726 18480 8170 1 11 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.836 -0.322 18480 8171 1 11 . 1 1 117 117 ILE H H 117 7.747 7.747 8.118 -0.371 18480 8172 1 11 . 1 1 118 118 ASN N N 118 119.204 119.204 118.329 0.875 18480 8173 1 11 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.552 -0.185 18480 8174 1 11 . 1 1 118 118 ASN C C 118 177.033 177.033 177.941 -0.908 18480 8175 1 11 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.526 0.255 18480 8176 1 11 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.094 -0.609 18480 8177 1 11 . 1 1 118 118 ASN H H 118 8.847 8.847 7.581 1.266 18480 8178 1 11 . 1 1 119 119 GLU N N 119 120.684 120.684 120.066 0.618 18480 8179 1 11 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.172 -0.207 18480 8180 1 11 . 1 1 119 119 GLU C C 119 178.564 178.564 178.574 -0.010 18480 8181 1 11 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.353 0.761 18480 8182 1 11 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.271 -0.753 18480 8183 1 11 . 1 1 119 119 GLU H H 119 8.081 8.081 7.571 0.510 18480 8184 1 11 . 1 1 120 120 ILE N N 120 118.037 118.037 119.463 -1.426 18480 8185 1 11 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.745 -0.173 18480 8186 1 11 . 1 1 120 120 ILE C C 120 178.279 178.279 177.902 0.377 18480 8187 1 11 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.750 -0.652 18480 8188 1 11 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.372 -1.120 18480 8189 1 11 . 1 1 120 120 ILE H H 120 7.948 7.948 7.387 0.561 18480 8190 1 11 . 1 1 121 121 THR N N 121 113.671 113.671 112.508 1.163 18480 8191 1 11 . 1 1 121 121 THR HA H 121 3.804 3.804 3.989 -0.185 18480 8192 1 11 . 1 1 121 121 THR C C 121 177.258 177.258 176.762 0.496 18480 8193 1 11 . 1 1 121 121 THR CA C 121 66.771 66.771 65.981 0.790 18480 8194 1 11 . 1 1 121 121 THR CB C 121 68.293 68.293 68.555 -0.262 18480 8195 1 11 . 1 1 121 121 THR H H 121 8.345 8.345 7.595 0.750 18480 8196 1 11 . 1 1 122 122 GLN N N 122 121.849 121.849 121.120 0.729 18480 8197 1 11 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.055 -0.056 18480 8198 1 11 . 1 1 122 122 GLN C C 122 179.014 179.014 178.272 0.742 18480 8199 1 11 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.523 0.243 18480 8200 1 11 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.314 0.118 18480 8201 1 11 . 1 1 122 122 GLN H H 122 7.589 7.589 7.474 0.115 18480 8202 1 11 . 1 1 123 123 LEU N N 123 120.855 120.855 120.378 0.477 18480 8203 1 11 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.613 -0.195 18480 8204 1 11 . 1 1 123 123 LEU C C 123 178.354 178.354 178.905 -0.551 18480 8205 1 11 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.720 0.096 18480 8206 1 11 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.652 -0.801 18480 8207 1 11 . 1 1 123 123 LEU H H 123 8.081 8.081 7.818 0.263 18480 8208 1 11 . 1 1 124 124 VAL N N 124 115.864 115.864 117.785 -1.921 18480 8209 1 11 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.698 -0.348 18480 8210 1 11 . 1 1 124 124 VAL C C 124 177.453 177.453 178.451 -0.998 18480 8211 1 11 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.437 1.036 18480 8212 1 11 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.516 0.090 18480 8213 1 11 . 1 1 124 124 VAL H H 124 7.574 7.574 8.006 -0.432 18480 8214 1 11 . 1 1 125 125 SER N N 125 110.334 110.334 114.134 -3.800 18480 8215 1 11 . 1 1 125 125 SER HA H 125 4.054 4.054 4.267 -0.213 18480 8216 1 11 . 1 1 125 125 SER C C 125 175.937 175.937 176.184 -0.247 18480 8217 1 11 . 1 1 125 125 SER CA C 125 61.763 61.763 60.737 1.026 18480 8218 1 11 . 1 1 125 125 SER CB C 125 62.864 62.864 63.327 -0.463 18480 8219 1 11 . 1 1 125 125 SER H H 125 6.950 6.950 7.483 -0.533 18480 8220 1 11 . 1 1 126 126 MET N N 126 121.750 121.750 119.254 2.496 18480 8221 1 11 . 1 1 126 126 MET HA H 126 3.951 3.951 4.272 -0.321 18480 8222 1 11 . 1 1 126 126 MET C C 126 179.254 179.254 178.217 1.037 18480 8223 1 11 . 1 1 126 126 MET CA C 126 59.246 59.246 58.662 0.584 18480 8224 1 11 . 1 1 126 126 MET CB C 126 33.265 33.265 32.219 1.046 18480 8225 1 11 . 1 1 126 126 MET H H 126 8.113 8.113 7.730 0.383 18480 8226 1 11 . 1 1 127 127 PHE N N 127 118.909 118.909 118.495 0.414 18480 8227 1 11 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.298 0.345 18480 8228 1 11 . 1 1 127 127 PHE C C 127 178.128 178.128 177.327 0.801 18480 8229 1 11 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.574 -2.815 18480 8230 1 11 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.234 -0.173 18480 8231 1 11 . 1 1 127 127 PHE H H 127 8.791 8.791 7.729 1.062 18480 8232 1 11 . 1 1 128 128 ALA N N 128 122.620 122.620 121.802 0.818 18480 8233 1 11 . 1 1 128 128 ALA HA H 128 4.176 4.176 3.998 0.178 18480 8234 1 11 . 1 1 128 128 ALA C C 128 178.789 178.789 178.967 -0.178 18480 8235 1 11 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.803 -0.138 18480 8236 1 11 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.338 0.827 18480 8237 1 11 . 1 1 128 128 ALA H H 128 8.235 8.235 7.963 0.272 18480 8238 1 11 . 1 1 129 129 GLN N N 129 116.507 116.507 116.961 -0.454 18480 8239 1 11 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.214 0.011 18480 8240 1 11 . 1 1 129 129 GLN C C 129 177.258 177.258 178.112 -0.854 18480 8241 1 11 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.705 -0.686 18480 8242 1 11 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.709 0.416 18480 8243 1 11 . 1 1 129 129 GLN H H 129 7.715 7.715 7.653 0.062 18480 8244 1 11 . 1 1 130 130 ALA N N 130 122.020 122.020 121.166 0.854 18480 8245 1 11 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.215 0.005 18480 8246 1 11 . 1 1 130 130 ALA C C 130 178.564 178.564 178.842 -0.278 18480 8247 1 11 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.302 0.504 18480 8248 1 11 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.125 -0.166 18480 8249 1 11 . 1 1 130 130 ALA H H 130 7.775 7.775 7.390 0.385 18480 8250 1 11 . 1 1 131 131 GLY N N 131 106.006 106.006 106.111 -0.105 18480 8251 1 11 . 1 1 131 131 GLY C C 131 173.970 173.970 175.406 -1.436 18480 8252 1 11 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.438 -0.325 18480 8253 1 11 . 1 1 131 131 GLY H H 131 8.110 8.110 8.453 -0.343 18480 8254 1 11 . 1 1 132 132 MET N N 132 118.637 118.637 116.364 2.273 18480 8255 1 11 . 1 1 132 132 MET HA H 132 4.401 4.401 4.424 -0.023 18480 8256 1 11 . 1 1 132 132 MET C C 132 175.952 175.952 175.969 -0.017 18480 8257 1 11 . 1 1 132 132 MET CA C 132 56.375 56.375 55.632 0.743 18480 8258 1 11 . 1 1 132 132 MET CB C 132 32.939 32.939 30.645 2.293 18480 8259 1 11 . 1 1 132 132 MET H H 132 7.945 7.945 8.208 -0.263 18480 8260 1 11 . 1 1 133 133 ASN N N 133 117.955 117.955 117.338 0.617 18480 8261 1 11 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.566 0.205 18480 8262 1 11 . 1 1 133 133 ASN C C 133 174.646 174.646 176.014 -1.368 18480 8263 1 11 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.179 -0.692 18480 8264 1 11 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.945 1.431 18480 8265 1 11 . 1 1 133 133 ASN H H 133 8.283 8.283 7.859 0.424 18480 8266 1 11 . 1 1 134 134 ASP N N 134 120.891 120.891 121.546 -0.655 18480 8267 1 11 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.493 0.126 18480 8268 1 11 . 1 1 134 134 ASP C C 134 176.162 176.162 176.762 -0.600 18480 8269 1 11 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.069 -0.668 18480 8270 1 11 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.806 -0.633 18480 8271 1 11 . 1 1 134 134 ASP H H 134 8.192 8.192 7.737 0.455 18480 8272 1 11 . 1 1 135 135 VAL N N 135 119.737 119.737 117.667 2.070 18480 8273 1 11 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.747 0.433 18480 8274 1 11 . 1 1 135 135 VAL C C 135 176.162 176.162 175.719 0.443 18480 8275 1 11 . 1 1 135 135 VAL CA C 135 62.146 62.146 62.792 -0.646 18480 8276 1 11 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.246 2.484 18480 8277 1 11 . 1 1 135 135 VAL H H 135 8.056 8.056 7.730 0.326 18480 8278 1 11 . 1 1 136 136 SER N N 136 119.689 119.689 121.624 -1.935 18480 8279 1 11 . 1 1 136 136 SER HA H 136 4.427 4.427 4.436 -0.009 18480 8280 1 11 . 1 1 136 136 SER C C 136 173.325 173.325 174.437 -1.112 18480 8281 1 11 . 1 1 136 136 SER CA C 136 58.351 58.351 59.000 -0.649 18480 8282 1 11 . 1 1 136 136 SER CB C 136 64.031 64.031 60.983 3.049 18480 8283 1 11 . 1 1 136 136 SER H H 136 8.355 8.355 8.497 -0.142 18480 8284 1 12 . 1 1 3 3 GLY N N 3 110.996 110.996 111.267 -0.271 18480 8285 1 12 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.650 0.826 18480 8286 1 12 . 1 1 3 3 GLY H H 3 8.591 8.591 8.055 0.536 18480 8287 1 12 . 1 1 4 4 ASN N N 4 118.637 118.637 119.850 -1.213 18480 8288 1 12 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.260 0.468 18480 8289 1 12 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.351 -0.181 18480 8290 1 12 . 1 1 4 4 ASN CB C 4 39.064 39.064 37.296 1.768 18480 8291 1 12 . 1 1 4 4 ASN H H 4 8.318 8.318 8.675 -0.357 18480 8292 1 12 . 1 1 5 5 SER N N 5 116.285 116.285 114.418 1.867 18480 8293 1 12 . 1 1 5 5 SER HA H 5 4.352 4.352 4.247 0.105 18480 8294 1 12 . 1 1 5 5 SER CA C 5 58.593 58.593 58.963 -0.370 18480 8295 1 12 . 1 1 5 5 SER CB C 5 63.633 63.633 63.582 0.051 18480 8296 1 12 . 1 1 5 5 SER H H 5 8.280 8.280 7.906 0.374 18480 8297 1 12 . 1 1 6 6 HIS N N 6 119.777 119.777 125.212 -5.435 18480 8298 1 12 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.719 0.019 18480 8299 1 12 . 1 1 6 6 HIS CA C 6 55.344 55.344 54.473 0.871 18480 8300 1 12 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.520 -2.192 18480 8301 1 12 . 1 1 6 6 HIS H H 6 8.460 8.460 8.296 0.164 18480 8302 1 12 . 1 1 7 7 THR N N 7 115.111 115.111 115.474 -0.363 18480 8303 1 12 . 1 1 7 7 THR HA H 7 4.217 4.217 4.135 0.082 18480 8304 1 12 . 1 1 7 7 THR C C 7 173.970 173.970 173.641 0.329 18480 8305 1 12 . 1 1 7 7 THR CA C 7 62.118 62.118 62.292 -0.174 18480 8306 1 12 . 1 1 7 7 THR CB C 7 69.871 69.871 69.254 0.617 18480 8307 1 12 . 1 1 7 7 THR H H 7 8.202 8.202 8.370 -0.168 18480 8308 1 12 . 1 1 8 8 THR N N 8 113.695 113.695 117.430 -3.735 18480 8309 1 12 . 1 1 8 8 THR HA H 8 4.439 4.439 4.276 0.163 18480 8310 1 12 . 1 1 8 8 THR C C 8 172.664 172.664 172.365 0.299 18480 8311 1 12 . 1 1 8 8 THR CA C 8 58.847 58.847 59.413 -0.566 18480 8312 1 12 . 1 1 8 8 THR CB C 8 62.183 62.183 68.767 -6.584 18480 8313 1 12 . 1 1 8 8 THR H H 8 8.113 8.113 7.715 0.398 18480 8314 1 12 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.326 -0.361 18480 8315 1 12 . 1 1 9 9 PRO CA C 9 63.436 63.436 63.794 -0.358 18480 8316 1 12 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.019 0.152 18480 8317 1 12 . 1 1 10 10 TRP N N 10 108.872 108.872 112.231 -3.359 18480 8318 1 12 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.094 -0.505 18480 8319 1 12 . 1 1 10 10 TRP C C 10 175.817 175.817 175.549 0.268 18480 8320 1 12 . 1 1 10 10 TRP CA C 10 55.172 55.172 55.185 -0.013 18480 8321 1 12 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.049 -1.074 18480 8322 1 12 . 1 1 10 10 TRP H H 10 6.511 6.511 6.955 -0.444 18480 8323 1 12 . 1 1 11 11 THR N N 11 113.736 113.736 116.489 -2.753 18480 8324 1 12 . 1 1 11 11 THR HA H 11 3.899 3.899 4.142 -0.243 18480 8325 1 12 . 1 1 11 11 THR C C 11 173.970 173.970 174.037 -0.067 18480 8326 1 12 . 1 1 11 11 THR CA C 11 65.731 65.731 64.925 0.806 18480 8327 1 12 . 1 1 11 11 THR CB C 11 69.609 69.609 68.580 1.029 18480 8328 1 12 . 1 1 11 11 THR H H 11 7.310 7.310 7.597 -0.287 18480 8329 1 12 . 1 1 12 12 ASN N N 12 112.814 112.814 115.481 -2.667 18480 8330 1 12 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.043 -0.371 18480 8331 1 12 . 1 1 12 12 ASN C C 12 172.889 172.889 173.057 -0.168 18480 8332 1 12 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.379 0.749 18480 8333 1 12 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.358 0.341 18480 8334 1 12 . 1 1 12 12 ASN H H 12 7.234 7.234 7.466 -0.232 18480 8335 1 12 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.235 -0.153 18480 8336 1 12 . 1 1 13 13 PRO CA C 13 65.642 65.642 66.062 -0.420 18480 8337 1 12 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.916 0.137 18480 8338 1 12 . 1 1 14 14 GLY N N 14 107.424 107.424 106.687 0.737 18480 8339 1 12 . 1 1 14 14 GLY C C 14 175.952 175.952 176.324 -0.372 18480 8340 1 12 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.976 0.214 18480 8341 1 12 . 1 1 14 14 GLY H H 14 8.288 8.288 7.854 0.434 18480 8342 1 12 . 1 1 15 15 LEU N N 15 122.906 122.906 121.867 1.039 18480 8343 1 12 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.913 0.117 18480 8344 1 12 . 1 1 15 15 LEU C C 15 178.564 178.564 179.164 -0.600 18480 8345 1 12 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.137 0.739 18480 8346 1 12 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.657 0.659 18480 8347 1 12 . 1 1 15 15 LEU H H 15 7.956 7.956 8.684 -0.728 18480 8348 1 12 . 1 1 16 16 ALA N N 16 122.949 122.949 122.545 0.404 18480 8349 1 12 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.348 -0.243 18480 8350 1 12 . 1 1 16 16 ALA C C 16 179.104 179.104 179.633 -0.529 18480 8351 1 12 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.736 1.244 18480 8352 1 12 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.866 0.269 18480 8353 1 12 . 1 1 16 16 ALA H H 16 7.598 7.598 7.568 0.030 18480 8354 1 12 . 1 1 17 17 GLU N N 17 116.632 116.632 116.243 0.389 18480 8355 1 12 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.110 -0.290 18480 8356 1 12 . 1 1 17 17 GLU C C 17 177.993 177.993 178.885 -0.892 18480 8357 1 12 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.373 0.676 18480 8358 1 12 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.501 -0.780 18480 8359 1 12 . 1 1 17 17 GLU H H 17 8.097 8.097 8.345 -0.248 18480 8360 1 12 . 1 1 18 18 ASN N N 18 117.645 117.645 117.982 -0.337 18480 8361 1 12 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.637 -0.210 18480 8362 1 12 . 1 1 18 18 ASN C C 18 178.347 178.347 176.613 1.734 18480 8363 1 12 . 1 1 18 18 ASN CA C 18 56.094 56.094 54.718 1.375 18480 8364 1 12 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.378 -0.254 18480 8365 1 12 . 1 1 18 18 ASN H H 18 8.196 8.196 8.130 0.066 18480 8366 1 12 . 1 1 19 19 PHE N N 19 123.188 123.188 123.066 0.122 18480 8367 1 12 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.170 -0.218 18480 8368 1 12 . 1 1 19 19 PHE C C 19 176.837 176.837 176.609 0.228 18480 8369 1 12 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.779 0.118 18480 8370 1 12 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.268 0.461 18480 8371 1 12 . 1 1 19 19 PHE H H 19 8.868 8.868 7.610 1.258 18480 8372 1 12 . 1 1 20 20 MET N N 20 118.140 118.140 115.218 2.922 18480 8373 1 12 . 1 1 20 20 MET HA H 20 3.303 3.303 3.586 -0.283 18480 8374 1 12 . 1 1 20 20 MET C C 20 178.924 178.924 177.539 1.385 18480 8375 1 12 . 1 1 20 20 MET CA C 20 60.043 60.043 57.067 2.976 18480 8376 1 12 . 1 1 20 20 MET CB C 20 33.527 33.527 30.108 3.418 18480 8377 1 12 . 1 1 20 20 MET H H 20 7.644 7.644 7.774 -0.130 18480 8378 1 12 . 1 1 21 21 ASN N N 21 116.213 116.213 120.777 -4.564 18480 8379 1 12 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.439 0.014 18480 8380 1 12 . 1 1 21 21 ASN C C 21 178.249 178.249 177.822 0.427 18480 8381 1 12 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.603 -0.654 18480 8382 1 12 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.249 -0.152 18480 8383 1 12 . 1 1 21 21 ASN H H 21 8.169 8.169 7.781 0.388 18480 8384 1 12 . 1 1 22 22 SER N N 22 117.086 117.086 115.377 1.709 18480 8385 1 12 . 1 1 22 22 SER HA H 22 4.152 4.152 4.162 -0.010 18480 8386 1 12 . 1 1 22 22 SER C C 22 178.143 178.143 174.960 3.183 18480 8387 1 12 . 1 1 22 22 SER CA C 22 62.154 62.154 61.382 0.772 18480 8388 1 12 . 1 1 22 22 SER CB C 22 62.709 62.709 63.037 -0.328 18480 8389 1 12 . 1 1 22 22 SER H H 22 8.650 8.650 8.213 0.437 18480 8390 1 12 . 1 1 23 23 PHE N N 23 124.044 124.044 121.996 2.048 18480 8391 1 12 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.281 -0.413 18480 8392 1 12 . 1 1 23 23 PHE C C 23 175.652 175.652 176.670 -1.018 18480 8393 1 12 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.197 1.921 18480 8394 1 12 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.736 -1.486 18480 8395 1 12 . 1 1 23 23 PHE H H 23 8.394 8.394 7.309 1.085 18480 8396 1 12 . 1 1 24 24 MET N N 24 117.794 117.794 117.135 0.659 18480 8397 1 12 . 1 1 24 24 MET HA H 24 4.177 4.177 3.863 0.314 18480 8398 1 12 . 1 1 24 24 MET C C 24 179.797 179.797 178.396 1.401 18480 8399 1 12 . 1 1 24 24 MET CA C 24 56.498 56.498 56.487 0.011 18480 8400 1 12 . 1 1 24 24 MET CB C 24 31.903 31.903 31.349 0.554 18480 8401 1 12 . 1 1 24 24 MET H H 24 7.781 7.781 8.322 -0.541 18480 8402 1 12 . 1 1 25 25 GLN N N 25 119.477 119.477 117.632 1.845 18480 8403 1 12 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.165 -0.201 18480 8404 1 12 . 1 1 25 25 GLN C C 25 179.870 179.870 177.592 2.278 18480 8405 1 12 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.034 0.714 18480 8406 1 12 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.225 0.159 18480 8407 1 12 . 1 1 25 25 GLN H H 25 8.233 8.233 7.937 0.296 18480 8408 1 12 . 1 1 26 26 GLY N N 26 107.052 107.052 106.786 0.266 18480 8409 1 12 . 1 1 26 26 GLY C C 26 176.387 176.387 175.247 1.140 18480 8410 1 12 . 1 1 26 26 GLY CA C 26 46.673 46.673 44.754 1.919 18480 8411 1 12 . 1 1 26 26 GLY H H 26 7.936 7.936 7.792 0.144 18480 8412 1 12 . 1 1 27 27 LEU N N 27 122.471 122.471 123.635 -1.164 18480 8413 1 12 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.037 -0.319 18480 8414 1 12 . 1 1 27 27 LEU C C 27 178.564 178.564 177.797 0.767 18480 8415 1 12 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.046 1.147 18480 8416 1 12 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.546 0.147 18480 8417 1 12 . 1 1 27 27 LEU H H 27 8.157 8.157 7.679 0.478 18480 8418 1 12 . 1 1 28 28 SER N N 28 109.215 109.215 113.358 -4.143 18480 8419 1 12 . 1 1 28 28 SER HA H 28 4.064 4.064 4.256 -0.192 18480 8420 1 12 . 1 1 28 28 SER C C 28 174.421 174.421 175.290 -0.869 18480 8421 1 12 . 1 1 28 28 SER CA C 28 61.444 61.444 60.472 0.972 18480 8422 1 12 . 1 1 28 28 SER CB C 28 63.210 63.210 63.121 0.089 18480 8423 1 12 . 1 1 28 28 SER H H 28 7.469 7.469 7.738 -0.269 18480 8424 1 12 . 1 1 29 29 SER N N 29 114.308 114.308 115.787 -1.479 18480 8425 1 12 . 1 1 29 29 SER HA H 29 4.667 4.667 4.616 0.051 18480 8426 1 12 . 1 1 29 29 SER C C 29 173.970 173.970 173.590 0.380 18480 8427 1 12 . 1 1 29 29 SER CA C 29 57.914 57.914 58.203 -0.289 18480 8428 1 12 . 1 1 29 29 SER CB C 29 64.359 64.359 63.817 0.542 18480 8429 1 12 . 1 1 29 29 SER H H 29 7.383 7.383 7.545 -0.162 18480 8430 1 12 . 1 1 30 30 MET N N 30 122.604 122.604 122.513 0.091 18480 8431 1 12 . 1 1 30 30 MET HA H 30 4.882 4.882 4.960 -0.078 18480 8432 1 12 . 1 1 30 30 MET C C 30 174.195 174.195 174.277 -0.082 18480 8433 1 12 . 1 1 30 30 MET CA C 30 53.753 53.753 51.779 1.974 18480 8434 1 12 . 1 1 30 30 MET CB C 30 32.013 32.013 32.548 -0.535 18480 8435 1 12 . 1 1 30 30 MET H H 30 7.804 7.804 7.619 0.185 18480 8436 1 12 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.575 0.091 18480 8437 1 12 . 1 1 31 31 PRO CA C 31 63.697 63.697 63.017 0.680 18480 8438 1 12 . 1 1 31 31 PRO CB C 31 32.953 32.953 33.065 -0.112 18480 8439 1 12 . 1 1 32 32 GLY N N 32 104.648 104.648 107.129 -2.481 18480 8440 1 12 . 1 1 32 32 GLY C C 32 172.454 172.454 173.829 -1.375 18480 8441 1 12 . 1 1 32 32 GLY CA C 32 45.421 45.421 44.990 0.431 18480 8442 1 12 . 1 1 32 32 GLY H H 32 8.363 8.363 8.656 -0.293 18480 8443 1 12 . 1 1 33 33 PHE N N 33 116.917 116.917 123.593 -6.676 18480 8444 1 12 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.658 0.629 18480 8445 1 12 . 1 1 33 33 PHE C C 33 176.387 176.387 175.845 0.542 18480 8446 1 12 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.894 -0.992 18480 8447 1 12 . 1 1 33 33 PHE CB C 33 42.290 42.290 39.380 2.910 18480 8448 1 12 . 1 1 33 33 PHE H H 33 8.118 8.118 7.536 0.582 18480 8449 1 12 . 1 1 34 34 THR N N 34 113.457 113.457 114.821 -1.364 18480 8450 1 12 . 1 1 34 34 THR HA H 34 4.494 4.494 4.485 0.009 18480 8451 1 12 . 1 1 34 34 THR C C 34 175.066 175.066 175.746 -0.680 18480 8452 1 12 . 1 1 34 34 THR CA C 34 59.946 59.946 60.060 -0.114 18480 8453 1 12 . 1 1 34 34 THR CB C 34 70.967 70.967 71.549 -0.582 18480 8454 1 12 . 1 1 34 34 THR H H 34 8.727 8.727 8.370 0.357 18480 8455 1 12 . 1 1 35 35 ALA N N 35 122.737 122.737 126.635 -3.898 18480 8456 1 12 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.056 0.029 18480 8457 1 12 . 1 1 35 35 ALA C C 35 180.755 180.755 179.665 1.090 18480 8458 1 12 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.995 0.528 18480 8459 1 12 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.009 0.061 18480 8460 1 12 . 1 1 35 35 ALA H H 35 8.913 8.913 8.866 0.047 18480 8461 1 12 . 1 1 36 36 SER N N 36 113.331 113.331 112.143 1.188 18480 8462 1 12 . 1 1 36 36 SER HA H 36 4.244 4.244 4.317 -0.073 18480 8463 1 12 . 1 1 36 36 SER C C 36 177.033 177.033 176.671 0.362 18480 8464 1 12 . 1 1 36 36 SER CA C 36 61.453 61.453 61.134 0.319 18480 8465 1 12 . 1 1 36 36 SER CB C 36 62.529 62.529 62.557 -0.028 18480 8466 1 12 . 1 1 36 36 SER H H 36 8.347 8.347 8.250 0.097 18480 8467 1 12 . 1 1 37 37 GLN N N 37 122.548 122.548 120.614 1.934 18480 8468 1 12 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.536 -0.477 18480 8469 1 12 . 1 1 37 37 GLN C C 37 179.149 179.149 178.391 0.758 18480 8470 1 12 . 1 1 37 37 GLN CA C 37 58.967 58.967 56.702 2.265 18480 8471 1 12 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.830 -0.809 18480 8472 1 12 . 1 1 37 37 GLN H H 37 7.500 7.500 7.854 -0.354 18480 8473 1 12 . 1 1 38 38 LEU N N 38 117.948 117.948 120.838 -2.890 18480 8474 1 12 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.008 -0.116 18480 8475 1 12 . 1 1 38 38 LEU C C 38 179.675 179.675 178.358 1.317 18480 8476 1 12 . 1 1 38 38 LEU CA C 38 57.959 57.959 58.475 -0.516 18480 8477 1 12 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.417 0.076 18480 8478 1 12 . 1 1 38 38 LEU H H 38 8.217 8.217 7.763 0.454 18480 8479 1 12 . 1 1 39 39 ASP N N 39 120.923 120.923 120.065 0.858 18480 8480 1 12 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.241 0.170 18480 8481 1 12 . 1 1 39 39 ASP C C 39 179.224 179.224 178.023 1.201 18480 8482 1 12 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.150 -0.544 18480 8483 1 12 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.565 1.263 18480 8484 1 12 . 1 1 39 39 ASP H H 39 8.192 8.192 7.917 0.275 18480 8485 1 12 . 1 1 40 40 ASP N N 40 123.608 123.608 119.349 4.259 18480 8486 1 12 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.472 -0.255 18480 8487 1 12 . 1 1 40 40 ASP C C 40 179.600 179.600 178.689 0.911 18480 8488 1 12 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.933 1.707 18480 8489 1 12 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.883 -1.571 18480 8490 1 12 . 1 1 40 40 ASP H H 40 8.366 8.366 7.754 0.612 18480 8491 1 12 . 1 1 41 41 MET N N 41 118.772 118.772 118.800 -0.028 18480 8492 1 12 . 1 1 41 41 MET HA H 41 3.638 3.638 4.206 -0.568 18480 8493 1 12 . 1 1 41 41 MET C C 41 177.693 177.693 178.429 -0.736 18480 8494 1 12 . 1 1 41 41 MET CA C 41 60.513 60.513 59.105 1.408 18480 8495 1 12 . 1 1 41 41 MET CB C 41 34.320 34.320 32.619 1.701 18480 8496 1 12 . 1 1 41 41 MET H H 41 8.423 8.423 7.446 0.977 18480 8497 1 12 . 1 1 42 42 SER N N 42 115.040 115.040 115.099 -0.059 18480 8498 1 12 . 1 1 42 42 SER HA H 42 4.168 4.168 4.295 -0.127 18480 8499 1 12 . 1 1 42 42 SER C C 42 177.483 177.483 176.643 0.840 18480 8500 1 12 . 1 1 42 42 SER CA C 42 61.923 61.923 61.649 0.274 18480 8501 1 12 . 1 1 42 42 SER CB C 42 63.084 63.084 62.743 0.341 18480 8502 1 12 . 1 1 42 42 SER H H 42 8.901 8.901 8.813 0.088 18480 8503 1 12 . 1 1 43 43 THR N N 43 118.747 118.747 118.582 0.165 18480 8504 1 12 . 1 1 43 43 THR HA H 43 3.914 3.914 4.078 -0.164 18480 8505 1 12 . 1 1 43 43 THR C C 43 177.258 177.258 176.660 0.598 18480 8506 1 12 . 1 1 43 43 THR CA C 43 67.017 67.017 67.095 -0.078 18480 8507 1 12 . 1 1 43 43 THR CB C 43 69.500 69.500 68.583 0.917 18480 8508 1 12 . 1 1 43 43 THR H H 43 8.479 8.479 7.680 0.799 18480 8509 1 12 . 1 1 44 44 ILE N N 44 121.898 121.898 121.229 0.669 18480 8510 1 12 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.844 -0.141 18480 8511 1 12 . 1 1 44 44 ILE C C 44 178.564 178.564 177.202 1.362 18480 8512 1 12 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.561 -0.497 18480 8513 1 12 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.512 -1.303 18480 8514 1 12 . 1 1 44 44 ILE H H 44 7.807 7.807 7.553 0.254 18480 8515 1 12 . 1 1 45 45 ALA N N 45 124.002 124.002 123.074 0.928 18480 8516 1 12 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.916 0.126 18480 8517 1 12 . 1 1 45 45 ALA C C 45 179.404 179.404 179.782 -0.378 18480 8518 1 12 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.657 0.884 18480 8519 1 12 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.152 0.306 18480 8520 1 12 . 1 1 45 45 ALA H H 45 9.145 9.145 8.188 0.957 18480 8521 1 12 . 1 1 46 46 GLN N N 46 115.753 115.753 116.995 -1.242 18480 8522 1 12 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.088 -0.065 18480 8523 1 12 . 1 1 46 46 GLN C C 46 179.014 179.014 178.499 0.515 18480 8524 1 12 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.443 0.510 18480 8525 1 12 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.383 0.017 18480 8526 1 12 . 1 1 46 46 GLN H H 46 8.459 8.459 8.050 0.409 18480 8527 1 12 . 1 1 47 47 SER N N 47 116.041 116.041 116.551 -0.510 18480 8528 1 12 . 1 1 47 47 SER HA H 47 4.258 4.258 4.164 0.094 18480 8529 1 12 . 1 1 47 47 SER C C 47 177.483 177.483 176.905 0.578 18480 8530 1 12 . 1 1 47 47 SER CA C 47 62.328 62.328 61.811 0.517 18480 8531 1 12 . 1 1 47 47 SER CB C 47 63.154 63.154 63.091 0.063 18480 8532 1 12 . 1 1 47 47 SER H H 47 7.961 7.961 8.061 -0.100 18480 8533 1 12 . 1 1 48 48 MET N N 48 122.349 122.349 119.440 2.909 18480 8534 1 12 . 1 1 48 48 MET HA H 48 4.376 4.376 4.356 0.020 18480 8535 1 12 . 1 1 48 48 MET C C 48 177.798 177.798 178.425 -0.627 18480 8536 1 12 . 1 1 48 48 MET CA C 48 58.198 58.198 57.553 0.645 18480 8537 1 12 . 1 1 48 48 MET CB C 48 32.102 32.102 31.915 0.187 18480 8538 1 12 . 1 1 48 48 MET H H 48 8.508 8.508 8.484 0.024 18480 8539 1 12 . 1 1 49 49 VAL N N 49 122.061 122.061 116.614 5.447 18480 8540 1 12 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.726 -0.284 18480 8541 1 12 . 1 1 49 49 VAL C C 49 177.910 177.910 178.087 -0.177 18480 8542 1 12 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.187 1.736 18480 8543 1 12 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.006 1.753 18480 8544 1 12 . 1 1 49 49 VAL H H 49 8.541 8.541 7.549 0.992 18480 8545 1 12 . 1 1 50 50 GLN N N 50 118.465 118.465 120.399 -1.934 18480 8546 1 12 . 1 1 50 50 GLN HA H 50 4.057 4.057 3.996 0.061 18480 8547 1 12 . 1 1 50 50 GLN C C 50 179.449 179.449 178.773 0.676 18480 8548 1 12 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.199 -0.174 18480 8549 1 12 . 1 1 50 50 GLN CB C 50 28.007 28.007 27.872 0.135 18480 8550 1 12 . 1 1 50 50 GLN H H 50 8.165 8.165 8.489 -0.324 18480 8551 1 12 . 1 1 51 51 SER N N 51 117.659 117.659 117.145 0.514 18480 8552 1 12 . 1 1 51 51 SER HA H 51 3.854 3.854 4.161 -0.307 18480 8553 1 12 . 1 1 51 51 SER C C 51 176.374 176.374 176.891 -0.517 18480 8554 1 12 . 1 1 51 51 SER CA C 51 62.642 62.642 62.356 0.286 18480 8555 1 12 . 1 1 51 51 SER CB C 51 63.039 63.039 62.882 0.157 18480 8556 1 12 . 1 1 51 51 SER H H 51 8.199 8.199 7.872 0.327 18480 8557 1 12 . 1 1 52 52 ILE N N 52 122.930 122.930 121.666 1.264 18480 8558 1 12 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.633 -0.253 18480 8559 1 12 . 1 1 52 52 ILE C C 52 178.684 178.684 177.744 0.940 18480 8560 1 12 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.021 1.294 18480 8561 1 12 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.863 -0.315 18480 8562 1 12 . 1 1 52 52 ILE H H 52 8.068 8.068 8.045 0.023 18480 8563 1 12 . 1 1 53 53 GLN N N 53 118.774 118.774 118.868 -0.094 18480 8564 1 12 . 1 1 53 53 GLN HA H 53 3.913 3.913 4.036 -0.123 18480 8565 1 12 . 1 1 53 53 GLN C C 53 179.014 179.014 178.373 0.641 18480 8566 1 12 . 1 1 53 53 GLN CA C 53 59.168 59.168 58.909 0.259 18480 8567 1 12 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.299 -0.282 18480 8568 1 12 . 1 1 53 53 GLN H H 53 8.459 8.459 8.514 -0.055 18480 8569 1 12 . 1 1 54 54 SER N N 54 115.452 115.452 116.668 -1.216 18480 8570 1 12 . 1 1 54 54 SER HA H 54 4.294 4.294 4.254 0.040 18480 8571 1 12 . 1 1 54 54 SER C C 54 176.822 176.822 176.107 0.715 18480 8572 1 12 . 1 1 54 54 SER CA C 54 61.276 61.276 61.889 -0.613 18480 8573 1 12 . 1 1 54 54 SER CB C 54 62.873 62.873 62.873 -0.000 18480 8574 1 12 . 1 1 54 54 SER H H 54 8.330 8.330 8.178 0.151 18480 8575 1 12 . 1 1 55 55 LEU N N 55 121.066 121.066 121.237 -0.171 18480 8576 1 12 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.212 -0.231 18480 8577 1 12 . 1 1 55 55 LEU C C 55 179.434 179.434 177.950 1.484 18480 8578 1 12 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.021 0.955 18480 8579 1 12 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.685 0.921 18480 8580 1 12 . 1 1 55 55 LEU H H 55 8.211 8.211 7.558 0.653 18480 8581 1 12 . 1 1 56 56 ALA N N 56 122.497 122.497 122.291 0.206 18480 8582 1 12 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.107 0.042 18480 8583 1 12 . 1 1 56 56 ALA C C 56 180.530 180.530 179.402 1.128 18480 8584 1 12 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.487 0.582 18480 8585 1 12 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.320 -0.358 18480 8586 1 12 . 1 1 56 56 ALA H H 56 8.902 8.902 7.792 1.110 18480 8587 1 12 . 1 1 57 57 ALA N N 57 122.922 122.922 119.844 3.078 18480 8588 1 12 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.094 0.063 18480 8589 1 12 . 1 1 57 57 ALA C C 57 179.344 179.344 179.333 0.011 18480 8590 1 12 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.304 0.694 18480 8591 1 12 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.537 -0.508 18480 8592 1 12 . 1 1 57 57 ALA H H 57 8.140 8.140 8.098 0.042 18480 8593 1 12 . 1 1 58 58 GLN N N 58 113.359 113.359 116.776 -3.417 18480 8594 1 12 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.332 0.030 18480 8595 1 12 . 1 1 58 58 GLN C C 58 176.612 176.612 176.770 -0.158 18480 8596 1 12 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.739 -0.141 18480 8597 1 12 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.598 1.477 18480 8598 1 12 . 1 1 58 58 GLN H H 58 7.415 7.415 7.905 -0.490 18480 8599 1 12 . 1 1 59 59 GLY N N 59 109.012 109.012 107.507 1.505 18480 8600 1 12 . 1 1 59 59 GLY C C 59 174.856 174.856 174.693 0.163 18480 8601 1 12 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.097 1.664 18480 8602 1 12 . 1 1 59 59 GLY H H 59 7.979 7.979 8.095 -0.115 18480 8603 1 12 . 1 1 60 60 ARG N N 60 115.906 115.906 119.638 -3.732 18480 8604 1 12 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.423 0.179 18480 8605 1 12 . 1 1 60 60 ARG C C 60 175.847 175.847 175.342 0.505 18480 8606 1 12 . 1 1 60 60 ARG CA C 60 55.808 55.808 55.263 0.545 18480 8607 1 12 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.073 2.333 18480 8608 1 12 . 1 1 60 60 ARG H H 60 8.126 8.126 8.342 -0.216 18480 8609 1 12 . 1 1 61 61 THR N N 61 107.985 107.985 114.085 -6.100 18480 8610 1 12 . 1 1 61 61 THR HA H 61 4.125 4.125 4.389 -0.264 18480 8611 1 12 . 1 1 61 61 THR C C 61 173.654 173.654 174.080 -0.426 18480 8612 1 12 . 1 1 61 61 THR CA C 61 62.194 62.194 62.401 -0.207 18480 8613 1 12 . 1 1 61 61 THR CB C 61 69.512 69.512 69.055 0.457 18480 8614 1 12 . 1 1 61 61 THR H H 61 7.663 7.663 7.844 -0.181 18480 8615 1 12 . 1 1 62 62 SER N N 62 113.733 113.733 122.090 -8.357 18480 8616 1 12 . 1 1 62 62 SER HA H 62 4.973 4.973 4.982 -0.009 18480 8617 1 12 . 1 1 62 62 SER C C 62 173.207 173.207 173.534 -0.327 18480 8618 1 12 . 1 1 62 62 SER CA C 62 56.343 56.343 55.967 0.376 18480 8619 1 12 . 1 1 62 62 SER CB C 62 63.992 63.992 65.692 -1.700 18480 8620 1 12 . 1 1 62 62 SER H H 62 7.057 7.057 8.164 -1.107 18480 8621 1 12 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.816 -0.114 18480 8622 1 12 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.611 0.689 18480 8623 1 12 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.262 -0.026 18480 8624 1 12 . 1 1 64 64 ASN N N 64 114.886 114.886 117.115 -2.229 18480 8625 1 12 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.458 -0.056 18480 8626 1 12 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.267 -0.016 18480 8627 1 12 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.636 0.401 18480 8628 1 12 . 1 1 64 64 ASN H H 64 8.642 8.642 8.864 -0.222 18480 8629 1 12 . 1 1 65 65 LYS N N 65 119.774 119.774 120.537 -0.763 18480 8630 1 12 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.047 -0.241 18480 8631 1 12 . 1 1 65 65 LYS C C 65 178.999 178.999 178.260 0.739 18480 8632 1 12 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.930 1.948 18480 8633 1 12 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.260 0.977 18480 8634 1 12 . 1 1 65 65 LYS H H 65 7.882 7.882 7.512 0.370 18480 8635 1 12 . 1 1 66 66 LEU N N 66 117.686 117.686 118.265 -0.579 18480 8636 1 12 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.078 -0.056 18480 8637 1 12 . 1 1 66 66 LEU C C 66 178.928 178.928 179.479 -0.551 18480 8638 1 12 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.292 0.625 18480 8639 1 12 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.977 -0.444 18480 8640 1 12 . 1 1 66 66 LEU H H 66 8.666 8.666 8.398 0.268 18480 8641 1 12 . 1 1 67 67 GLN N N 67 124.469 124.469 120.107 4.362 18480 8642 1 12 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.515 -0.223 18480 8643 1 12 . 1 1 67 67 GLN C C 67 178.789 178.789 177.943 0.846 18480 8644 1 12 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.403 1.488 18480 8645 1 12 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.005 0.154 18480 8646 1 12 . 1 1 67 67 GLN H H 67 8.997 8.997 8.116 0.881 18480 8647 1 12 . 1 1 68 68 ALA N N 68 121.986 121.986 121.463 0.523 18480 8648 1 12 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.141 -0.331 18480 8649 1 12 . 1 1 68 68 ALA C C 68 180.320 180.320 177.716 2.604 18480 8650 1 12 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.945 1.558 18480 8651 1 12 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.472 -0.260 18480 8652 1 12 . 1 1 68 68 ALA H H 68 7.427 7.427 7.774 -0.347 18480 8653 1 12 . 1 1 69 69 LEU N N 69 118.881 118.881 117.060 1.821 18480 8654 1 12 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.541 -0.489 18480 8655 1 12 . 1 1 69 69 LEU C C 69 178.864 178.864 176.447 2.417 18480 8656 1 12 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.343 3.405 18480 8657 1 12 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.415 -0.521 18480 8658 1 12 . 1 1 69 69 LEU H H 69 8.143 8.143 7.231 0.912 18480 8659 1 12 . 1 1 70 70 ASN N N 70 119.848 119.848 118.340 1.508 18480 8660 1 12 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.712 -0.321 18480 8661 1 12 . 1 1 70 70 ASN C C 70 177.483 177.483 176.697 0.786 18480 8662 1 12 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.471 2.313 18480 8663 1 12 . 1 1 70 70 ASN CB C 70 39.472 39.472 40.346 -0.874 18480 8664 1 12 . 1 1 70 70 ASN H H 70 8.456 8.456 7.815 0.641 18480 8665 1 12 . 1 1 71 71 MET N N 71 118.843 118.843 119.519 -0.676 18480 8666 1 12 . 1 1 71 71 MET HA H 71 4.769 4.769 4.431 0.338 18480 8667 1 12 . 1 1 71 71 MET C C 71 178.279 178.279 177.502 0.777 18480 8668 1 12 . 1 1 71 71 MET CA C 71 56.415 56.415 58.910 -2.494 18480 8669 1 12 . 1 1 71 71 MET CB C 71 29.788 29.788 32.593 -2.805 18480 8670 1 12 . 1 1 71 71 MET H H 71 7.757 7.757 7.617 0.140 18480 8671 1 12 . 1 1 72 72 ALA N N 72 126.265 126.265 121.608 4.657 18480 8672 1 12 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.160 0.082 18480 8673 1 12 . 1 1 72 72 ALA C C 72 179.059 179.059 179.071 -0.012 18480 8674 1 12 . 1 1 72 72 ALA CA C 72 55.126 55.126 54.793 0.333 18480 8675 1 12 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.262 0.661 18480 8676 1 12 . 1 1 72 72 ALA H H 72 8.559 8.559 8.433 0.126 18480 8677 1 12 . 1 1 73 73 PHE N N 73 118.887 118.887 119.983 -1.096 18480 8678 1 12 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.653 -0.590 18480 8679 1 12 . 1 1 73 73 PHE C C 73 177.258 177.258 176.932 0.326 18480 8680 1 12 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.102 0.970 18480 8681 1 12 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.487 -0.182 18480 8682 1 12 . 1 1 73 73 PHE H H 73 8.337 8.337 7.602 0.735 18480 8683 1 12 . 1 1 74 74 ALA N N 74 122.360 122.360 121.897 0.463 18480 8684 1 12 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.794 -0.563 18480 8685 1 12 . 1 1 74 74 ALA C C 74 179.374 179.374 179.219 0.155 18480 8686 1 12 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.733 1.083 18480 8687 1 12 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.492 0.389 18480 8688 1 12 . 1 1 74 74 ALA H H 74 8.540 8.540 7.760 0.780 18480 8689 1 12 . 1 1 75 75 SER N N 75 112.265 112.265 114.079 -1.814 18480 8690 1 12 . 1 1 75 75 SER HA H 75 3.858 3.858 4.269 -0.411 18480 8691 1 12 . 1 1 75 75 SER CA C 75 62.251 62.251 61.361 0.890 18480 8692 1 12 . 1 1 75 75 SER CB C 75 62.874 62.874 63.453 -0.579 18480 8693 1 12 . 1 1 75 75 SER H H 75 8.859 8.859 8.498 0.361 18480 8694 1 12 . 1 1 76 76 SER N N 76 118.859 118.859 119.356 -0.497 18480 8695 1 12 . 1 1 76 76 SER HA H 76 3.964 3.964 4.411 -0.447 18480 8696 1 12 . 1 1 76 76 SER CA C 76 63.066 63.066 60.947 2.119 18480 8697 1 12 . 1 1 76 76 SER CB C 76 63.377 63.377 62.941 0.435 18480 8698 1 12 . 1 1 76 76 SER H H 76 8.065 8.065 7.624 0.441 18480 8699 1 12 . 1 1 77 77 MET N N 77 120.030 120.030 119.986 0.044 18480 8700 1 12 . 1 1 77 77 MET HA H 77 4.234 4.234 4.054 0.180 18480 8701 1 12 . 1 1 77 77 MET C C 77 178.354 178.354 178.228 0.126 18480 8702 1 12 . 1 1 77 77 MET CA C 77 57.167 57.167 56.322 0.845 18480 8703 1 12 . 1 1 77 77 MET CB C 77 32.728 32.728 30.853 1.875 18480 8704 1 12 . 1 1 77 77 MET H H 77 7.397 7.397 7.980 -0.583 18480 8705 1 12 . 1 1 78 78 ALA N N 78 119.880 119.880 122.586 -2.706 18480 8706 1 12 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.206 -0.303 18480 8707 1 12 . 1 1 78 78 ALA C C 78 178.354 178.354 179.203 -0.849 18480 8708 1 12 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.323 -0.183 18480 8709 1 12 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.652 0.449 18480 8710 1 12 . 1 1 78 78 ALA H H 78 7.908 7.908 7.426 0.482 18480 8711 1 12 . 1 1 79 79 GLU N N 79 117.907 117.907 118.740 -0.833 18480 8712 1 12 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.959 -0.020 18480 8713 1 12 . 1 1 79 79 GLU C C 79 178.894 178.894 178.750 0.144 18480 8714 1 12 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.932 0.768 18480 8715 1 12 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.914 0.733 18480 8716 1 12 . 1 1 79 79 GLU H H 79 8.576 8.576 8.187 0.389 18480 8717 1 12 . 1 1 80 80 ILE N N 80 121.918 121.918 121.048 0.870 18480 8718 1 12 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.696 -0.094 18480 8719 1 12 . 1 1 80 80 ILE C C 80 179.014 179.014 177.997 1.017 18480 8720 1 12 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.858 0.273 18480 8721 1 12 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.462 0.163 18480 8722 1 12 . 1 1 80 80 ILE H H 80 8.065 8.065 7.868 0.197 18480 8723 1 12 . 1 1 81 81 ALA N N 81 120.266 120.266 122.966 -2.700 18480 8724 1 12 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.097 0.051 18480 8725 1 12 . 1 1 81 81 ALA C C 81 177.258 177.258 179.326 -2.068 18480 8726 1 12 . 1 1 81 81 ALA CA C 81 55.140 55.140 55.502 -0.362 18480 8727 1 12 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.299 0.856 18480 8728 1 12 . 1 1 81 81 ALA H H 81 8.169 8.169 7.970 0.199 18480 8729 1 12 . 1 1 82 82 ALA N N 82 114.813 114.813 120.465 -5.652 18480 8730 1 12 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.051 0.000 18480 8731 1 12 . 1 1 82 82 ALA C C 82 177.693 177.693 179.961 -2.268 18480 8732 1 12 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.130 -1.363 18480 8733 1 12 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.653 2.346 18480 8734 1 12 . 1 1 82 82 ALA H H 82 8.019 8.019 8.723 -0.704 18480 8735 1 12 . 1 1 83 83 SER N N 83 110.140 110.140 113.262 -3.122 18480 8736 1 12 . 1 1 83 83 SER HA H 83 4.415 4.415 4.252 0.163 18480 8737 1 12 . 1 1 83 83 SER C C 83 174.856 174.856 175.521 -0.665 18480 8738 1 12 . 1 1 83 83 SER CA C 83 59.772 59.772 61.428 -1.656 18480 8739 1 12 . 1 1 83 83 SER CB C 83 64.952 64.952 63.663 1.288 18480 8740 1 12 . 1 1 83 83 SER H H 83 7.823 7.823 7.657 0.166 18480 8741 1 12 . 1 1 84 84 GLU N N 84 120.696 120.696 120.156 0.540 18480 8742 1 12 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.365 0.136 18480 8743 1 12 . 1 1 84 84 GLU C C 84 176.597 176.597 175.443 1.154 18480 8744 1 12 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.875 0.721 18480 8745 1 12 . 1 1 84 84 GLU CB C 84 28.537 28.537 30.838 -2.301 18480 8746 1 12 . 1 1 84 84 GLU H H 84 7.666 7.666 8.229 -0.563 18480 8747 1 12 . 1 1 85 85 GLU N N 85 124.951 124.951 117.241 7.710 18480 8748 1 12 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.510 -0.248 18480 8749 1 12 . 1 1 85 85 GLU C C 85 177.258 177.258 176.190 1.068 18480 8750 1 12 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.966 1.879 18480 8751 1 12 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.416 -1.613 18480 8752 1 12 . 1 1 85 85 GLU H H 85 8.735 8.735 8.339 0.396 18480 8753 1 12 . 1 1 86 86 GLY N N 86 110.356 110.356 107.794 2.562 18480 8754 1 12 . 1 1 86 86 GLY C C 86 174.856 174.856 173.446 1.410 18480 8755 1 12 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.257 -0.867 18480 8756 1 12 . 1 1 86 86 GLY H H 86 8.609 8.609 8.419 0.190 18480 8757 1 12 . 1 1 87 87 GLY N N 87 107.569 107.569 110.908 -3.339 18480 8758 1 12 . 1 1 87 87 GLY C C 87 174.436 174.436 173.984 0.452 18480 8759 1 12 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.673 -0.413 18480 8760 1 12 . 1 1 87 87 GLY H H 87 7.931 7.931 8.049 -0.118 18480 8761 1 12 . 1 1 88 88 GLY N N 88 109.889 109.889 107.079 2.810 18480 8762 1 12 . 1 1 88 88 GLY C C 88 173.325 173.325 172.706 0.619 18480 8763 1 12 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.510 0.656 18480 8764 1 12 . 1 1 88 88 GLY H H 88 8.650 8.650 7.425 1.225 18480 8765 1 12 . 1 1 89 89 SER N N 89 114.731 114.731 116.329 -1.598 18480 8766 1 12 . 1 1 89 89 SER HA H 89 4.411 4.411 4.606 -0.195 18480 8767 1 12 . 1 1 89 89 SER C C 89 175.066 175.066 176.156 -1.090 18480 8768 1 12 . 1 1 89 89 SER CA C 89 57.363 57.363 56.145 1.218 18480 8769 1 12 . 1 1 89 89 SER CB C 89 62.483 62.483 64.615 -2.132 18480 8770 1 12 . 1 1 89 89 SER H H 89 8.640 8.640 7.769 0.871 18480 8771 1 12 . 1 1 90 90 LEU N N 90 123.210 123.210 122.685 0.525 18480 8772 1 12 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.097 -0.122 18480 8773 1 12 . 1 1 90 90 LEU C C 90 179.434 179.434 177.785 1.649 18480 8774 1 12 . 1 1 90 90 LEU CA C 90 58.343 58.343 57.827 0.516 18480 8775 1 12 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.971 -0.607 18480 8776 1 12 . 1 1 90 90 LEU H H 90 8.976 8.976 8.745 0.231 18480 8777 1 12 . 1 1 91 91 SER N N 91 115.789 115.789 113.386 2.403 18480 8778 1 12 . 1 1 91 91 SER HA H 91 4.149 4.149 4.164 -0.015 18480 8779 1 12 . 1 1 91 91 SER C C 91 177.325 177.325 176.143 1.182 18480 8780 1 12 . 1 1 91 91 SER CA C 91 61.794 61.794 61.908 -0.114 18480 8781 1 12 . 1 1 91 91 SER CB C 91 62.276 62.276 62.071 0.205 18480 8782 1 12 . 1 1 91 91 SER H H 91 8.612 8.612 8.438 0.174 18480 8783 1 12 . 1 1 92 92 THR N N 92 122.677 122.677 119.828 2.849 18480 8784 1 12 . 1 1 92 92 THR HA H 92 3.919 3.919 4.104 -0.185 18480 8785 1 12 . 1 1 92 92 THR C C 92 176.162 176.162 176.445 -0.283 18480 8786 1 12 . 1 1 92 92 THR CA C 92 66.719 66.719 66.087 0.632 18480 8787 1 12 . 1 1 92 92 THR CB C 92 68.236 68.236 68.449 -0.213 18480 8788 1 12 . 1 1 92 92 THR H H 92 7.871 7.871 7.967 -0.096 18480 8789 1 12 . 1 1 93 93 LYS N N 93 119.820 119.820 119.122 0.698 18480 8790 1 12 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.342 -0.773 18480 8791 1 12 . 1 1 93 93 LYS CA C 93 60.652 60.652 58.558 2.094 18480 8792 1 12 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.544 2.184 18480 8793 1 12 . 1 1 93 93 LYS H H 93 8.263 8.263 8.128 0.135 18480 8794 1 12 . 1 1 94 94 THR N N 94 113.759 113.759 117.932 -4.173 18480 8795 1 12 . 1 1 94 94 THR HA H 94 3.692 3.692 4.362 -0.670 18480 8796 1 12 . 1 1 94 94 THR C C 94 177.033 177.033 176.211 0.822 18480 8797 1 12 . 1 1 94 94 THR CA C 94 68.122 68.122 66.702 1.420 18480 8798 1 12 . 1 1 94 94 THR CB C 94 68.342 68.342 68.811 -0.468 18480 8799 1 12 . 1 1 94 94 THR H H 94 8.448 8.448 7.631 0.817 18480 8800 1 12 . 1 1 95 95 SER N N 95 117.547 117.547 118.410 -0.863 18480 8801 1 12 . 1 1 95 95 SER HA H 95 4.262 4.262 4.282 -0.020 18480 8802 1 12 . 1 1 95 95 SER C C 95 177.828 177.828 176.457 1.371 18480 8803 1 12 . 1 1 95 95 SER CA C 95 61.758 61.758 62.386 -0.628 18480 8804 1 12 . 1 1 95 95 SER CB C 95 62.667 62.667 63.020 -0.353 18480 8805 1 12 . 1 1 95 95 SER H H 95 8.173 8.173 7.966 0.207 18480 8806 1 12 . 1 1 96 96 SER N N 96 121.366 121.366 117.739 3.627 18480 8807 1 12 . 1 1 96 96 SER HA H 96 4.035 4.035 4.294 -0.259 18480 8808 1 12 . 1 1 96 96 SER CA C 96 62.467 62.467 61.404 1.063 18480 8809 1 12 . 1 1 96 96 SER CB C 96 61.755 61.755 63.176 -1.421 18480 8810 1 12 . 1 1 96 96 SER H H 96 8.830 8.830 8.042 0.788 18480 8811 1 12 . 1 1 97 97 ILE N N 97 121.943 121.943 123.209 -1.266 18480 8812 1 12 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.961 -0.152 18480 8813 1 12 . 1 1 97 97 ILE C C 97 177.693 177.693 177.831 -0.138 18480 8814 1 12 . 1 1 97 97 ILE CA C 97 66.042 66.042 64.863 1.179 18480 8815 1 12 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.781 -0.245 18480 8816 1 12 . 1 1 97 97 ILE H H 97 8.380 8.380 7.551 0.829 18480 8817 1 12 . 1 1 98 98 ALA N N 98 122.507 122.507 122.458 0.049 18480 8818 1 12 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.048 -0.008 18480 8819 1 12 . 1 1 98 98 ALA C C 98 180.740 180.740 179.693 1.047 18480 8820 1 12 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.565 0.823 18480 8821 1 12 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.031 0.123 18480 8822 1 12 . 1 1 98 98 ALA H H 98 8.624 8.624 8.106 0.518 18480 8823 1 12 . 1 1 99 99 SER N N 99 115.850 115.850 114.519 1.331 18480 8824 1 12 . 1 1 99 99 SER HA H 99 4.325 4.325 4.236 0.089 18480 8825 1 12 . 1 1 99 99 SER C C 99 177.168 177.168 176.611 0.557 18480 8826 1 12 . 1 1 99 99 SER CA C 99 61.867 61.867 61.215 0.652 18480 8827 1 12 . 1 1 99 99 SER CB C 99 63.200 63.200 63.057 0.143 18480 8828 1 12 . 1 1 99 99 SER H H 99 8.667 8.667 8.276 0.391 18480 8829 1 12 . 1 1 100 100 ALA N N 100 124.410 124.410 124.130 0.280 18480 8830 1 12 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.065 0.077 18480 8831 1 12 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.879 0.509 18480 8832 1 12 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.325 0.302 18480 8833 1 12 . 1 1 100 100 ALA H H 100 8.744 8.744 8.013 0.731 18480 8834 1 12 . 1 1 101 101 MET N N 101 119.346 119.346 118.699 0.647 18480 8835 1 12 . 1 1 101 101 MET HA H 101 4.368 4.368 4.395 -0.027 18480 8836 1 12 . 1 1 101 101 MET CA C 101 59.163 59.163 57.752 1.411 18480 8837 1 12 . 1 1 101 101 MET CB C 101 33.233 33.233 31.887 1.346 18480 8838 1 12 . 1 1 101 101 MET H H 101 9.152 9.152 9.059 0.093 18480 8839 1 12 . 1 1 102 102 SER N N 102 117.124 117.124 115.122 2.002 18480 8840 1 12 . 1 1 102 102 SER HA H 102 4.382 4.382 4.263 0.119 18480 8841 1 12 . 1 1 102 102 SER CA C 102 63.424 63.424 62.271 1.153 18480 8842 1 12 . 1 1 102 102 SER CB C 102 62.639 62.639 62.818 -0.179 18480 8843 1 12 . 1 1 102 102 SER H H 102 8.766 8.766 8.321 0.445 18480 8844 1 12 . 1 1 103 103 ASN N N 103 118.601 118.601 119.588 -0.987 18480 8845 1 12 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.568 -0.102 18480 8846 1 12 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.855 0.784 18480 8847 1 12 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.598 -0.291 18480 8848 1 12 . 1 1 103 103 ASN H H 103 8.298 8.298 7.715 0.583 18480 8849 1 12 . 1 1 104 104 ALA N N 104 122.821 122.821 122.520 0.301 18480 8850 1 12 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.967 0.272 18480 8851 1 12 . 1 1 104 104 ALA C C 104 181.701 181.701 179.789 1.912 18480 8852 1 12 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.976 0.296 18480 8853 1 12 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.118 0.056 18480 8854 1 12 . 1 1 104 104 ALA H H 104 7.969 7.969 7.963 0.006 18480 8855 1 12 . 1 1 105 105 PHE N N 105 119.585 119.585 117.671 1.914 18480 8856 1 12 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.436 -0.228 18480 8857 1 12 . 1 1 105 105 PHE C C 105 179.224 179.224 178.202 1.022 18480 8858 1 12 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.994 2.128 18480 8859 1 12 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.988 0.579 18480 8860 1 12 . 1 1 105 105 PHE H H 105 8.647 8.647 8.070 0.577 18480 8861 1 12 . 1 1 106 106 LEU N N 106 121.925 121.925 116.421 5.504 18480 8862 1 12 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.223 -0.524 18480 8863 1 12 . 1 1 106 106 LEU C C 106 179.074 179.074 178.883 0.191 18480 8864 1 12 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.799 2.256 18480 8865 1 12 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.300 0.162 18480 8866 1 12 . 1 1 106 106 LEU H H 106 8.450 8.450 7.618 0.832 18480 8867 1 12 . 1 1 107 107 GLN N N 107 115.214 115.214 117.503 -2.289 18480 8868 1 12 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.362 -0.260 18480 8869 1 12 . 1 1 107 107 GLN C C 107 176.822 176.822 177.087 -0.265 18480 8870 1 12 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.440 0.146 18480 8871 1 12 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.279 -0.000 18480 8872 1 12 . 1 1 107 107 GLN H H 107 8.444 8.444 7.618 0.826 18480 8873 1 12 . 1 1 108 108 THR N N 108 109.014 109.014 112.832 -3.818 18480 8874 1 12 . 1 1 108 108 THR HA H 108 4.369 4.369 4.429 -0.060 18480 8875 1 12 . 1 1 108 108 THR C C 108 175.952 175.952 175.990 -0.038 18480 8876 1 12 . 1 1 108 108 THR CA C 108 63.658 63.658 63.933 -0.275 18480 8877 1 12 . 1 1 108 108 THR CB C 108 70.179 70.179 69.252 0.927 18480 8878 1 12 . 1 1 108 108 THR H H 108 7.631 7.631 7.701 -0.070 18480 8879 1 12 . 1 1 109 109 THR N N 109 110.844 110.844 114.361 -3.517 18480 8880 1 12 . 1 1 109 109 THR HA H 109 4.477 4.477 4.275 0.202 18480 8881 1 12 . 1 1 109 109 THR C C 109 176.162 176.162 176.424 -0.262 18480 8882 1 12 . 1 1 109 109 THR CA C 109 61.728 61.728 62.989 -1.260 18480 8883 1 12 . 1 1 109 109 THR CB C 109 70.659 70.659 70.436 0.223 18480 8884 1 12 . 1 1 109 109 THR H H 109 8.623 8.623 7.807 0.816 18480 8885 1 12 . 1 1 110 110 GLY N N 110 109.549 109.549 110.609 -1.060 18480 8886 1 12 . 1 1 110 110 GLY C C 110 172.889 172.889 173.222 -0.333 18480 8887 1 12 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.933 0.610 18480 8888 1 12 . 1 1 110 110 GLY H H 110 8.113 8.113 8.446 -0.333 18480 8889 1 12 . 1 1 111 111 VAL N N 111 118.903 118.903 119.499 -0.596 18480 8890 1 12 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.490 -0.234 18480 8891 1 12 . 1 1 111 111 VAL C C 111 174.421 174.421 174.024 0.397 18480 8892 1 12 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.306 0.455 18480 8893 1 12 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.061 0.449 18480 8894 1 12 . 1 1 111 111 VAL H H 111 7.724 7.724 7.505 0.219 18480 8895 1 12 . 1 1 112 112 VAL N N 112 124.398 124.398 125.722 -1.324 18480 8896 1 12 . 1 1 112 112 VAL HA H 112 3.233 3.233 3.898 -0.665 18480 8897 1 12 . 1 1 112 112 VAL C C 112 174.646 174.646 174.731 -0.085 18480 8898 1 12 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.749 2.986 18480 8899 1 12 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.430 -0.624 18480 8900 1 12 . 1 1 112 112 VAL H H 112 8.627 8.627 8.358 0.269 18480 8901 1 12 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.521 0.047 18480 8902 1 12 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.995 -1.788 18480 8903 1 12 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.408 -0.028 18480 8904 1 12 . 1 1 114 114 GLN N N 114 125.364 125.364 126.339 -0.975 18480 8905 1 12 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.096 -0.156 18480 8906 1 12 . 1 1 114 114 GLN C C 114 174.811 174.811 175.035 -0.224 18480 8907 1 12 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.851 -1.215 18480 8908 1 12 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.816 -1.724 18480 8909 1 12 . 1 1 114 114 GLN H H 114 8.731 8.731 8.605 0.126 18480 8910 1 12 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.528 -0.260 18480 8911 1 12 . 1 1 115 115 PRO CA C 115 66.661 66.661 63.526 3.135 18480 8912 1 12 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.111 0.086 18480 8913 1 12 . 1 1 116 116 PHE N N 116 118.102 118.102 118.956 -0.854 18480 8914 1 12 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.443 -0.182 18480 8915 1 12 . 1 1 116 116 PHE C C 116 176.597 176.597 176.756 -0.159 18480 8916 1 12 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.102 0.188 18480 8917 1 12 . 1 1 116 116 PHE CB C 116 39.580 39.580 40.984 -1.404 18480 8918 1 12 . 1 1 116 116 PHE H H 116 7.712 7.712 7.661 0.051 18480 8919 1 12 . 1 1 117 117 ILE N N 117 118.950 118.950 118.924 0.026 18480 8920 1 12 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.820 -0.166 18480 8921 1 12 . 1 1 117 117 ILE C C 117 178.789 178.789 178.060 0.729 18480 8922 1 12 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.978 0.662 18480 8923 1 12 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.697 -0.182 18480 8924 1 12 . 1 1 117 117 ILE H H 117 7.747 7.747 7.626 0.121 18480 8925 1 12 . 1 1 118 118 ASN N N 118 119.204 119.204 116.425 2.779 18480 8926 1 12 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.502 -0.135 18480 8927 1 12 . 1 1 118 118 ASN C C 118 177.033 177.033 177.059 -0.026 18480 8928 1 12 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.983 -0.202 18480 8929 1 12 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.526 -1.041 18480 8930 1 12 . 1 1 118 118 ASN H H 118 8.847 8.847 7.760 1.087 18480 8931 1 12 . 1 1 119 119 GLU N N 119 120.684 120.684 119.030 1.654 18480 8932 1 12 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.299 -0.334 18480 8933 1 12 . 1 1 119 119 GLU C C 119 178.564 178.564 178.064 0.500 18480 8934 1 12 . 1 1 119 119 GLU CA C 119 59.114 59.114 57.127 1.987 18480 8935 1 12 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.599 -1.081 18480 8936 1 12 . 1 1 119 119 GLU H H 119 8.081 8.081 7.569 0.512 18480 8937 1 12 . 1 1 120 120 ILE N N 120 118.037 118.037 120.219 -2.182 18480 8938 1 12 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.805 -0.233 18480 8939 1 12 . 1 1 120 120 ILE C C 120 178.279 178.279 178.124 0.155 18480 8940 1 12 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.768 -0.670 18480 8941 1 12 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.516 -1.264 18480 8942 1 12 . 1 1 120 120 ILE H H 120 7.948 7.948 7.674 0.274 18480 8943 1 12 . 1 1 121 121 THR N N 121 113.671 113.671 112.797 0.874 18480 8944 1 12 . 1 1 121 121 THR HA H 121 3.804 3.804 4.022 -0.218 18480 8945 1 12 . 1 1 121 121 THR C C 121 177.258 177.258 176.773 0.485 18480 8946 1 12 . 1 1 121 121 THR CA C 121 66.771 66.771 66.209 0.562 18480 8947 1 12 . 1 1 121 121 THR CB C 121 68.293 68.293 68.241 0.052 18480 8948 1 12 . 1 1 121 121 THR H H 121 8.345 8.345 7.692 0.653 18480 8949 1 12 . 1 1 122 122 GLN N N 122 121.849 121.849 121.204 0.645 18480 8950 1 12 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.079 -0.080 18480 8951 1 12 . 1 1 122 122 GLN C C 122 179.014 179.014 178.304 0.710 18480 8952 1 12 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.455 0.311 18480 8953 1 12 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.134 0.298 18480 8954 1 12 . 1 1 122 122 GLN H H 122 7.589 7.589 7.336 0.253 18480 8955 1 12 . 1 1 123 123 LEU N N 123 120.855 120.855 120.293 0.562 18480 8956 1 12 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.503 -0.085 18480 8957 1 12 . 1 1 123 123 LEU C C 123 178.354 178.354 178.680 -0.326 18480 8958 1 12 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.801 0.015 18480 8959 1 12 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.500 -0.649 18480 8960 1 12 . 1 1 123 123 LEU H H 123 8.081 8.081 7.492 0.589 18480 8961 1 12 . 1 1 124 124 VAL N N 124 115.864 115.864 117.417 -1.553 18480 8962 1 12 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.879 -0.529 18480 8963 1 12 . 1 1 124 124 VAL C C 124 177.453 177.453 177.539 -0.086 18480 8964 1 12 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.127 1.346 18480 8965 1 12 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.343 0.263 18480 8966 1 12 . 1 1 124 124 VAL H H 124 7.574 7.574 7.658 -0.084 18480 8967 1 12 . 1 1 125 125 SER N N 125 110.334 110.334 113.205 -2.871 18480 8968 1 12 . 1 1 125 125 SER HA H 125 4.054 4.054 4.313 -0.259 18480 8969 1 12 . 1 1 125 125 SER C C 125 175.937 175.937 176.850 -0.913 18480 8970 1 12 . 1 1 125 125 SER CA C 125 61.763 61.763 61.181 0.582 18480 8971 1 12 . 1 1 125 125 SER CB C 125 62.864 62.864 63.318 -0.454 18480 8972 1 12 . 1 1 125 125 SER H H 125 6.950 6.950 7.232 -0.282 18480 8973 1 12 . 1 1 126 126 MET N N 126 121.750 121.750 120.810 0.940 18480 8974 1 12 . 1 1 126 126 MET HA H 126 3.951 3.951 4.197 -0.246 18480 8975 1 12 . 1 1 126 126 MET C C 126 179.254 179.254 178.307 0.947 18480 8976 1 12 . 1 1 126 126 MET CA C 126 59.246 59.246 58.843 0.403 18480 8977 1 12 . 1 1 126 126 MET CB C 126 33.265 33.265 32.218 1.048 18480 8978 1 12 . 1 1 126 126 MET H H 126 8.113 8.113 8.403 -0.290 18480 8979 1 12 . 1 1 127 127 PHE N N 127 118.909 118.909 117.414 1.495 18480 8980 1 12 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.396 0.247 18480 8981 1 12 . 1 1 127 127 PHE C C 127 178.128 178.128 176.684 1.444 18480 8982 1 12 . 1 1 127 127 PHE CA C 127 56.759 56.759 58.528 -1.769 18480 8983 1 12 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.425 -0.364 18480 8984 1 12 . 1 1 127 127 PHE H H 127 8.791 8.791 7.875 0.916 18480 8985 1 12 . 1 1 128 128 ALA N N 128 122.620 122.620 120.748 1.872 18480 8986 1 12 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.272 -0.096 18480 8987 1 12 . 1 1 128 128 ALA C C 128 178.789 178.789 179.154 -0.365 18480 8988 1 12 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.113 0.552 18480 8989 1 12 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.923 0.242 18480 8990 1 12 . 1 1 128 128 ALA H H 128 8.235 8.235 7.553 0.682 18480 8991 1 12 . 1 1 129 129 GLN N N 129 116.507 116.507 117.534 -1.027 18480 8992 1 12 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.247 -0.022 18480 8993 1 12 . 1 1 129 129 GLN C C 129 177.258 177.258 177.462 -0.204 18480 8994 1 12 . 1 1 129 129 GLN CA C 129 57.018 57.018 56.801 0.217 18480 8995 1 12 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.144 0.981 18480 8996 1 12 . 1 1 129 129 GLN H H 129 7.715 7.715 7.781 -0.066 18480 8997 1 12 . 1 1 130 130 ALA N N 130 122.020 122.020 120.795 1.225 18480 8998 1 12 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.176 0.044 18480 8999 1 12 . 1 1 130 130 ALA C C 130 178.564 178.564 178.518 0.046 18480 9000 1 12 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.730 0.076 18480 9001 1 12 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.614 0.346 18480 9002 1 12 . 1 1 130 130 ALA H H 130 7.775 7.775 7.616 0.159 18480 9003 1 12 . 1 1 131 131 GLY N N 131 106.006 106.006 105.339 0.667 18480 9004 1 12 . 1 1 131 131 GLY C C 131 173.970 173.970 175.068 -1.098 18480 9005 1 12 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.340 -0.227 18480 9006 1 12 . 1 1 131 131 GLY H H 131 8.110 8.110 8.436 -0.326 18480 9007 1 12 . 1 1 132 132 MET N N 132 118.637 118.637 119.335 -0.698 18480 9008 1 12 . 1 1 132 132 MET HA H 132 4.401 4.401 4.545 -0.144 18480 9009 1 12 . 1 1 132 132 MET C C 132 175.952 175.952 176.251 -0.299 18480 9010 1 12 . 1 1 132 132 MET CA C 132 56.375 56.375 56.334 0.041 18480 9011 1 12 . 1 1 132 132 MET CB C 132 32.939 32.939 30.957 1.982 18480 9012 1 12 . 1 1 132 132 MET H H 132 7.945 7.945 7.515 0.430 18480 9013 1 12 . 1 1 133 133 ASN N N 133 117.955 117.955 117.055 0.900 18480 9014 1 12 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.540 0.231 18480 9015 1 12 . 1 1 133 133 ASN C C 133 174.646 174.646 175.588 -0.942 18480 9016 1 12 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.361 -0.873 18480 9017 1 12 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.310 1.066 18480 9018 1 12 . 1 1 133 133 ASN H H 133 8.283 8.283 8.125 0.158 18480 9019 1 12 . 1 1 134 134 ASP N N 134 120.891 120.891 120.184 0.707 18480 9020 1 12 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.643 -0.024 18480 9021 1 12 . 1 1 134 134 ASP C C 134 176.162 176.162 177.248 -1.086 18480 9022 1 12 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.669 -1.268 18480 9023 1 12 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.755 -1.581 18480 9024 1 12 . 1 1 134 134 ASP H H 134 8.192 8.192 7.590 0.602 18480 9025 1 12 . 1 1 135 135 VAL N N 135 119.737 119.737 116.020 3.717 18480 9026 1 12 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.626 0.554 18480 9027 1 12 . 1 1 135 135 VAL C C 135 176.162 176.162 175.094 1.068 18480 9028 1 12 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.605 -1.459 18480 9029 1 12 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.740 2.990 18480 9030 1 12 . 1 1 135 135 VAL H H 135 8.056 8.056 8.170 -0.114 18480 9031 1 12 . 1 1 136 136 SER N N 136 119.689 119.689 109.371 10.318 18480 9032 1 12 . 1 1 136 136 SER HA H 136 4.427 4.427 4.056 0.371 18480 9033 1 12 . 1 1 136 136 SER C C 136 173.325 173.325 174.535 -1.210 18480 9034 1 12 . 1 1 136 136 SER CA C 136 58.351 58.351 59.723 -1.372 18480 9035 1 12 . 1 1 136 136 SER CB C 136 64.031 64.031 60.793 3.238 18480 9036 1 12 . 1 1 136 136 SER H H 136 8.355 8.355 8.580 -0.225 18480 9037 1 13 . 1 1 3 3 GLY N N 3 110.996 110.996 110.971 0.025 18480 9038 1 13 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.811 0.665 18480 9039 1 13 . 1 1 3 3 GLY H H 3 8.591 8.591 8.278 0.313 18480 9040 1 13 . 1 1 4 4 ASN N N 4 118.637 118.637 119.636 -0.999 18480 9041 1 13 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.740 -0.012 18480 9042 1 13 . 1 1 4 4 ASN CA C 4 53.170 53.170 54.346 -1.176 18480 9043 1 13 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.953 0.111 18480 9044 1 13 . 1 1 4 4 ASN H H 4 8.318 8.318 8.017 0.301 18480 9045 1 13 . 1 1 5 5 SER N N 5 116.285 116.285 115.645 0.640 18480 9046 1 13 . 1 1 5 5 SER HA H 5 4.352 4.352 4.416 -0.064 18480 9047 1 13 . 1 1 5 5 SER CA C 5 58.593 58.593 58.498 0.095 18480 9048 1 13 . 1 1 5 5 SER CB C 5 63.633 63.633 62.091 1.542 18480 9049 1 13 . 1 1 5 5 SER H H 5 8.280 8.280 8.113 0.167 18480 9050 1 13 . 1 1 6 6 HIS N N 6 119.777 119.777 122.756 -2.979 18480 9051 1 13 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.800 -0.062 18480 9052 1 13 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.103 0.241 18480 9053 1 13 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.439 -1.111 18480 9054 1 13 . 1 1 6 6 HIS H H 6 8.460 8.460 7.672 0.788 18480 9055 1 13 . 1 1 7 7 THR N N 7 115.111 115.111 114.170 0.941 18480 9056 1 13 . 1 1 7 7 THR HA H 7 4.217 4.217 4.522 -0.305 18480 9057 1 13 . 1 1 7 7 THR C C 7 173.970 173.970 173.658 0.312 18480 9058 1 13 . 1 1 7 7 THR CA C 7 62.118 62.118 61.126 0.992 18480 9059 1 13 . 1 1 7 7 THR CB C 7 69.871 69.871 69.526 0.345 18480 9060 1 13 . 1 1 7 7 THR H H 7 8.202 8.202 8.472 -0.270 18480 9061 1 13 . 1 1 8 8 THR N N 8 113.695 113.695 116.017 -2.322 18480 9062 1 13 . 1 1 8 8 THR HA H 8 4.439 4.439 4.384 0.055 18480 9063 1 13 . 1 1 8 8 THR C C 8 172.664 172.664 172.762 -0.098 18480 9064 1 13 . 1 1 8 8 THR CA C 8 58.847 58.847 59.006 -0.159 18480 9065 1 13 . 1 1 8 8 THR CB C 8 62.183 62.183 69.246 -7.063 18480 9066 1 13 . 1 1 8 8 THR H H 8 8.113 8.113 7.628 0.485 18480 9067 1 13 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.235 -0.270 18480 9068 1 13 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.828 -1.392 18480 9069 1 13 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.548 -0.377 18480 9070 1 13 . 1 1 10 10 TRP N N 10 108.872 108.872 113.557 -4.685 18480 9071 1 13 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.913 -0.324 18480 9072 1 13 . 1 1 10 10 TRP C C 10 175.817 175.817 176.054 -0.237 18480 9073 1 13 . 1 1 10 10 TRP CA C 10 55.172 55.172 53.970 1.202 18480 9074 1 13 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.533 -0.558 18480 9075 1 13 . 1 1 10 10 TRP H H 10 6.511 6.511 6.788 -0.277 18480 9076 1 13 . 1 1 11 11 THR N N 11 113.736 113.736 116.291 -2.555 18480 9077 1 13 . 1 1 11 11 THR HA H 11 3.899 3.899 4.301 -0.402 18480 9078 1 13 . 1 1 11 11 THR C C 11 173.970 173.970 174.067 -0.097 18480 9079 1 13 . 1 1 11 11 THR CA C 11 65.731 65.731 63.481 2.250 18480 9080 1 13 . 1 1 11 11 THR CB C 11 69.609 69.609 69.028 0.581 18480 9081 1 13 . 1 1 11 11 THR H H 11 7.310 7.310 7.521 -0.211 18480 9082 1 13 . 1 1 12 12 ASN N N 12 112.814 112.814 118.383 -5.569 18480 9083 1 13 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.221 -0.549 18480 9084 1 13 . 1 1 12 12 ASN C C 12 172.889 172.889 173.447 -0.558 18480 9085 1 13 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.674 1.454 18480 9086 1 13 . 1 1 12 12 ASN CB C 12 38.699 38.699 39.620 -0.920 18480 9087 1 13 . 1 1 12 12 ASN H H 12 7.234 7.234 7.593 -0.359 18480 9088 1 13 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.281 -0.199 18480 9089 1 13 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.894 -0.252 18480 9090 1 13 . 1 1 13 13 PRO CB C 13 32.053 32.053 32.010 0.043 18480 9091 1 13 . 1 1 14 14 GLY N N 14 107.424 107.424 103.983 3.441 18480 9092 1 13 . 1 1 14 14 GLY C C 14 175.952 175.952 176.347 -0.395 18480 9093 1 13 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.867 0.323 18480 9094 1 13 . 1 1 14 14 GLY H H 14 8.288 8.288 8.802 -0.514 18480 9095 1 13 . 1 1 15 15 LEU N N 15 122.906 122.906 122.267 0.639 18480 9096 1 13 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.168 -0.138 18480 9097 1 13 . 1 1 15 15 LEU C C 15 178.564 178.564 178.416 0.148 18480 9098 1 13 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.512 1.364 18480 9099 1 13 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.819 0.497 18480 9100 1 13 . 1 1 15 15 LEU H H 15 7.956 7.956 7.565 0.391 18480 9101 1 13 . 1 1 16 16 ALA N N 16 122.949 122.949 123.091 -0.142 18480 9102 1 13 . 1 1 16 16 ALA HA H 16 4.105 4.105 3.957 0.148 18480 9103 1 13 . 1 1 16 16 ALA C C 16 179.104 179.104 179.439 -0.335 18480 9104 1 13 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.535 0.445 18480 9105 1 13 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.335 0.800 18480 9106 1 13 . 1 1 16 16 ALA H H 16 7.598 7.598 8.359 -0.761 18480 9107 1 13 . 1 1 17 17 GLU N N 17 116.632 116.632 116.935 -0.303 18480 9108 1 13 . 1 1 17 17 GLU HA H 17 3.820 3.820 3.927 -0.107 18480 9109 1 13 . 1 1 17 17 GLU C C 17 177.993 177.993 178.349 -0.356 18480 9110 1 13 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.643 0.406 18480 9111 1 13 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.254 -0.533 18480 9112 1 13 . 1 1 17 17 GLU H H 17 8.097 8.097 8.478 -0.381 18480 9113 1 13 . 1 1 18 18 ASN N N 18 117.645 117.645 119.093 -1.448 18480 9114 1 13 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.441 -0.014 18480 9115 1 13 . 1 1 18 18 ASN C C 18 178.347 178.347 177.446 0.901 18480 9116 1 13 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.460 -0.366 18480 9117 1 13 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.498 -0.374 18480 9118 1 13 . 1 1 18 18 ASN H H 18 8.196 8.196 7.606 0.590 18480 9119 1 13 . 1 1 19 19 PHE N N 19 123.188 123.188 121.087 2.101 18480 9120 1 13 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.066 -0.115 18480 9121 1 13 . 1 1 19 19 PHE C C 19 176.837 176.837 177.176 -0.339 18480 9122 1 13 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.113 -0.216 18480 9123 1 13 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.911 0.818 18480 9124 1 13 . 1 1 19 19 PHE H H 19 8.868 8.868 8.281 0.587 18480 9125 1 13 . 1 1 20 20 MET N N 20 118.140 118.140 116.495 1.645 18480 9126 1 13 . 1 1 20 20 MET HA H 20 3.303 3.303 3.471 -0.168 18480 9127 1 13 . 1 1 20 20 MET C C 20 178.924 178.924 178.215 0.709 18480 9128 1 13 . 1 1 20 20 MET CA C 20 60.043 60.043 59.203 0.840 18480 9129 1 13 . 1 1 20 20 MET CB C 20 33.527 33.527 31.729 1.798 18480 9130 1 13 . 1 1 20 20 MET H H 20 7.644 7.644 7.331 0.313 18480 9131 1 13 . 1 1 21 21 ASN N N 21 116.213 116.213 118.766 -2.553 18480 9132 1 13 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.437 0.016 18480 9133 1 13 . 1 1 21 21 ASN C C 21 178.249 178.249 177.825 0.424 18480 9134 1 13 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.897 -0.947 18480 9135 1 13 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.445 -0.348 18480 9136 1 13 . 1 1 21 21 ASN H H 21 8.169 8.169 8.288 -0.119 18480 9137 1 13 . 1 1 22 22 SER N N 22 117.086 117.086 114.207 2.879 18480 9138 1 13 . 1 1 22 22 SER HA H 22 4.152 4.152 4.424 -0.272 18480 9139 1 13 . 1 1 22 22 SER C C 22 178.143 178.143 174.327 3.816 18480 9140 1 13 . 1 1 22 22 SER CA C 22 62.154 62.154 61.024 1.130 18480 9141 1 13 . 1 1 22 22 SER CB C 22 62.709 62.709 63.014 -0.305 18480 9142 1 13 . 1 1 22 22 SER H H 22 8.650 8.650 8.519 0.131 18480 9143 1 13 . 1 1 23 23 PHE N N 23 124.044 124.044 121.863 2.181 18480 9144 1 13 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.427 -0.559 18480 9145 1 13 . 1 1 23 23 PHE C C 23 175.652 175.652 176.117 -0.465 18480 9146 1 13 . 1 1 23 23 PHE CA C 23 62.118 62.118 59.784 2.334 18480 9147 1 13 . 1 1 23 23 PHE CB C 23 38.250 38.250 40.243 -1.993 18480 9148 1 13 . 1 1 23 23 PHE H H 23 8.394 8.394 7.406 0.988 18480 9149 1 13 . 1 1 24 24 MET N N 24 117.794 117.794 118.197 -0.403 18480 9150 1 13 . 1 1 24 24 MET HA H 24 4.177 4.177 3.798 0.379 18480 9151 1 13 . 1 1 24 24 MET C C 24 179.797 179.797 178.451 1.346 18480 9152 1 13 . 1 1 24 24 MET CA C 24 56.498 56.498 56.634 -0.136 18480 9153 1 13 . 1 1 24 24 MET CB C 24 31.903 31.903 31.322 0.581 18480 9154 1 13 . 1 1 24 24 MET H H 24 7.781 7.781 8.512 -0.731 18480 9155 1 13 . 1 1 25 25 GLN N N 25 119.477 119.477 117.361 2.116 18480 9156 1 13 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.195 -0.231 18480 9157 1 13 . 1 1 25 25 GLN C C 25 179.870 179.870 177.733 2.137 18480 9158 1 13 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.014 0.734 18480 9159 1 13 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.137 0.247 18480 9160 1 13 . 1 1 25 25 GLN H H 25 8.233 8.233 8.040 0.193 18480 9161 1 13 . 1 1 26 26 GLY N N 26 107.052 107.052 106.887 0.165 18480 9162 1 13 . 1 1 26 26 GLY C C 26 176.387 176.387 175.274 1.113 18480 9163 1 13 . 1 1 26 26 GLY CA C 26 46.673 46.673 44.829 1.844 18480 9164 1 13 . 1 1 26 26 GLY H H 26 7.936 7.936 7.688 0.248 18480 9165 1 13 . 1 1 27 27 LEU N N 27 122.471 122.471 123.479 -1.008 18480 9166 1 13 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.012 -0.294 18480 9167 1 13 . 1 1 27 27 LEU C C 27 178.564 178.564 177.821 0.743 18480 9168 1 13 . 1 1 27 27 LEU CA C 27 57.193 57.193 55.912 1.281 18480 9169 1 13 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.540 0.153 18480 9170 1 13 . 1 1 27 27 LEU H H 27 8.157 8.157 7.836 0.321 18480 9171 1 13 . 1 1 28 28 SER N N 28 109.215 109.215 115.190 -5.975 18480 9172 1 13 . 1 1 28 28 SER HA H 28 4.064 4.064 4.274 -0.210 18480 9173 1 13 . 1 1 28 28 SER C C 28 174.421 174.421 174.925 -0.504 18480 9174 1 13 . 1 1 28 28 SER CA C 28 61.444 61.444 60.495 0.949 18480 9175 1 13 . 1 1 28 28 SER CB C 28 63.210 63.210 62.762 0.448 18480 9176 1 13 . 1 1 28 28 SER H H 28 7.469 7.469 8.006 -0.537 18480 9177 1 13 . 1 1 29 29 SER N N 29 114.308 114.308 115.423 -1.115 18480 9178 1 13 . 1 1 29 29 SER HA H 29 4.667 4.667 4.627 0.040 18480 9179 1 13 . 1 1 29 29 SER C C 29 173.970 173.970 173.433 0.537 18480 9180 1 13 . 1 1 29 29 SER CA C 29 57.914 57.914 57.996 -0.082 18480 9181 1 13 . 1 1 29 29 SER CB C 29 64.359 64.359 64.101 0.258 18480 9182 1 13 . 1 1 29 29 SER H H 29 7.383 7.383 7.470 -0.087 18480 9183 1 13 . 1 1 30 30 MET N N 30 122.604 122.604 122.667 -0.063 18480 9184 1 13 . 1 1 30 30 MET HA H 30 4.882 4.882 4.888 -0.006 18480 9185 1 13 . 1 1 30 30 MET C C 30 174.195 174.195 175.756 -1.561 18480 9186 1 13 . 1 1 30 30 MET CA C 30 53.753 53.753 52.095 1.658 18480 9187 1 13 . 1 1 30 30 MET CB C 30 32.013 32.013 32.043 -0.030 18480 9188 1 13 . 1 1 30 30 MET H H 30 7.804 7.804 7.717 0.087 18480 9189 1 13 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.518 0.148 18480 9190 1 13 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.154 -0.457 18480 9191 1 13 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.202 0.751 18480 9192 1 13 . 1 1 32 32 GLY N N 32 104.648 104.648 106.318 -1.670 18480 9193 1 13 . 1 1 32 32 GLY C C 32 172.454 172.454 174.048 -1.594 18480 9194 1 13 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.477 -0.056 18480 9195 1 13 . 1 1 32 32 GLY H H 32 8.363 8.363 7.928 0.435 18480 9196 1 13 . 1 1 33 33 PHE N N 33 116.917 116.917 119.329 -2.412 18480 9197 1 13 . 1 1 33 33 PHE HA H 33 5.287 5.287 5.513 -0.226 18480 9198 1 13 . 1 1 33 33 PHE C C 33 176.387 176.387 174.645 1.742 18480 9199 1 13 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.814 0.088 18480 9200 1 13 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.945 -0.655 18480 9201 1 13 . 1 1 33 33 PHE H H 33 8.118 8.118 7.489 0.629 18480 9202 1 13 . 1 1 34 34 THR N N 34 113.457 113.457 112.284 1.173 18480 9203 1 13 . 1 1 34 34 THR HA H 34 4.494 4.494 4.796 -0.302 18480 9204 1 13 . 1 1 34 34 THR C C 34 175.066 175.066 174.927 0.139 18480 9205 1 13 . 1 1 34 34 THR CA C 34 59.946 59.946 59.793 0.153 18480 9206 1 13 . 1 1 34 34 THR CB C 34 70.967 70.967 71.652 -0.685 18480 9207 1 13 . 1 1 34 34 THR H H 34 8.727 8.727 9.024 -0.297 18480 9208 1 13 . 1 1 35 35 ALA N N 35 122.737 122.737 124.702 -1.965 18480 9209 1 13 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.125 -0.040 18480 9210 1 13 . 1 1 35 35 ALA C C 35 180.755 180.755 179.966 0.789 18480 9211 1 13 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.356 0.167 18480 9212 1 13 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.305 -0.235 18480 9213 1 13 . 1 1 35 35 ALA H H 35 8.913 8.913 8.777 0.136 18480 9214 1 13 . 1 1 36 36 SER N N 36 113.331 113.331 113.660 -0.329 18480 9215 1 13 . 1 1 36 36 SER HA H 36 4.244 4.244 4.111 0.133 18480 9216 1 13 . 1 1 36 36 SER C C 36 177.033 177.033 177.055 -0.022 18480 9217 1 13 . 1 1 36 36 SER CA C 36 61.453 61.453 61.385 0.068 18480 9218 1 13 . 1 1 36 36 SER CB C 36 62.529 62.529 62.857 -0.328 18480 9219 1 13 . 1 1 36 36 SER H H 36 8.347 8.347 8.381 -0.034 18480 9220 1 13 . 1 1 37 37 GLN N N 37 122.548 122.548 121.013 1.535 18480 9221 1 13 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.127 -0.068 18480 9222 1 13 . 1 1 37 37 GLN C C 37 179.149 179.149 178.322 0.827 18480 9223 1 13 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.676 0.291 18480 9224 1 13 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.902 -0.881 18480 9225 1 13 . 1 1 37 37 GLN H H 37 7.500 7.500 7.590 -0.090 18480 9226 1 13 . 1 1 38 38 LEU N N 38 117.948 117.948 120.006 -2.058 18480 9227 1 13 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.097 -0.205 18480 9228 1 13 . 1 1 38 38 LEU C C 38 179.675 179.675 178.634 1.041 18480 9229 1 13 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.609 0.350 18480 9230 1 13 . 1 1 38 38 LEU CB C 38 41.493 41.493 40.692 0.801 18480 9231 1 13 . 1 1 38 38 LEU H H 38 8.217 8.217 7.892 0.325 18480 9232 1 13 . 1 1 39 39 ASP N N 39 120.923 120.923 121.139 -0.216 18480 9233 1 13 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.262 0.149 18480 9234 1 13 . 1 1 39 39 ASP C C 39 179.224 179.224 178.085 1.139 18480 9235 1 13 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.360 -0.754 18480 9236 1 13 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.890 0.938 18480 9237 1 13 . 1 1 39 39 ASP H H 39 8.192 8.192 8.083 0.109 18480 9238 1 13 . 1 1 40 40 ASP N N 40 123.608 123.608 119.631 3.977 18480 9239 1 13 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.460 -0.243 18480 9240 1 13 . 1 1 40 40 ASP C C 40 179.600 179.600 178.720 0.880 18480 9241 1 13 . 1 1 40 40 ASP CA C 40 58.640 58.640 57.142 1.498 18480 9242 1 13 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.800 -1.488 18480 9243 1 13 . 1 1 40 40 ASP H H 40 8.366 8.366 7.619 0.747 18480 9244 1 13 . 1 1 41 41 MET N N 41 118.772 118.772 120.206 -1.434 18480 9245 1 13 . 1 1 41 41 MET HA H 41 3.638 3.638 4.169 -0.531 18480 9246 1 13 . 1 1 41 41 MET C C 41 177.693 177.693 177.994 -0.301 18480 9247 1 13 . 1 1 41 41 MET CA C 41 60.513 60.513 59.069 1.444 18480 9248 1 13 . 1 1 41 41 MET CB C 41 34.320 34.320 32.951 1.369 18480 9249 1 13 . 1 1 41 41 MET H H 41 8.423 8.423 8.012 0.411 18480 9250 1 13 . 1 1 42 42 SER N N 42 115.040 115.040 114.496 0.544 18480 9251 1 13 . 1 1 42 42 SER HA H 42 4.168 4.168 4.188 -0.020 18480 9252 1 13 . 1 1 42 42 SER C C 42 177.483 177.483 176.414 1.069 18480 9253 1 13 . 1 1 42 42 SER CA C 42 61.923 61.923 61.857 0.066 18480 9254 1 13 . 1 1 42 42 SER CB C 42 63.084 63.084 63.163 -0.080 18480 9255 1 13 . 1 1 42 42 SER H H 42 8.901 8.901 8.643 0.258 18480 9256 1 13 . 1 1 43 43 THR N N 43 118.747 118.747 117.093 1.654 18480 9257 1 13 . 1 1 43 43 THR HA H 43 3.914 3.914 4.048 -0.134 18480 9258 1 13 . 1 1 43 43 THR C C 43 177.258 177.258 176.703 0.555 18480 9259 1 13 . 1 1 43 43 THR CA C 43 67.017 67.017 66.816 0.201 18480 9260 1 13 . 1 1 43 43 THR CB C 43 69.500 69.500 68.380 1.120 18480 9261 1 13 . 1 1 43 43 THR H H 43 8.479 8.479 7.667 0.812 18480 9262 1 13 . 1 1 44 44 ILE N N 44 121.898 121.898 121.470 0.428 18480 9263 1 13 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.888 -0.185 18480 9264 1 13 . 1 1 44 44 ILE C C 44 178.564 178.564 177.301 1.263 18480 9265 1 13 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.803 -0.739 18480 9266 1 13 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.321 -1.112 18480 9267 1 13 . 1 1 44 44 ILE H H 44 7.807 7.807 7.679 0.128 18480 9268 1 13 . 1 1 45 45 ALA N N 45 124.002 124.002 123.663 0.339 18480 9269 1 13 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.169 -0.127 18480 9270 1 13 . 1 1 45 45 ALA C C 45 179.404 179.404 179.798 -0.394 18480 9271 1 13 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.770 0.771 18480 9272 1 13 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.217 0.241 18480 9273 1 13 . 1 1 45 45 ALA H H 45 9.145 9.145 8.047 1.098 18480 9274 1 13 . 1 1 46 46 GLN N N 46 115.753 115.753 117.615 -1.862 18480 9275 1 13 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.021 0.002 18480 9276 1 13 . 1 1 46 46 GLN C C 46 179.014 179.014 178.820 0.194 18480 9277 1 13 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.422 0.531 18480 9278 1 13 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.052 0.348 18480 9279 1 13 . 1 1 46 46 GLN H H 46 8.459 8.459 8.036 0.423 18480 9280 1 13 . 1 1 47 47 SER N N 47 116.041 116.041 117.068 -1.027 18480 9281 1 13 . 1 1 47 47 SER HA H 47 4.258 4.258 4.225 0.033 18480 9282 1 13 . 1 1 47 47 SER C C 47 177.483 177.483 176.915 0.568 18480 9283 1 13 . 1 1 47 47 SER CA C 47 62.328 62.328 62.030 0.298 18480 9284 1 13 . 1 1 47 47 SER CB C 47 63.154 63.154 62.833 0.321 18480 9285 1 13 . 1 1 47 47 SER H H 47 7.961 7.961 7.979 -0.018 18480 9286 1 13 . 1 1 48 48 MET N N 48 122.349 122.349 121.186 1.163 18480 9287 1 13 . 1 1 48 48 MET HA H 48 4.376 4.376 4.241 0.135 18480 9288 1 13 . 1 1 48 48 MET C C 48 177.798 177.798 178.226 -0.428 18480 9289 1 13 . 1 1 48 48 MET CA C 48 58.198 58.198 58.004 0.194 18480 9290 1 13 . 1 1 48 48 MET CB C 48 32.102 32.102 32.158 -0.056 18480 9291 1 13 . 1 1 48 48 MET H H 48 8.508 8.508 8.480 0.028 18480 9292 1 13 . 1 1 49 49 VAL N N 49 122.061 122.061 120.953 1.108 18480 9293 1 13 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.488 -0.046 18480 9294 1 13 . 1 1 49 49 VAL C C 49 177.910 177.910 178.492 -0.582 18480 9295 1 13 . 1 1 49 49 VAL CA C 49 67.923 67.923 67.038 0.885 18480 9296 1 13 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.530 0.229 18480 9297 1 13 . 1 1 49 49 VAL H H 49 8.541 8.541 8.687 -0.146 18480 9298 1 13 . 1 1 50 50 GLN N N 50 118.465 118.465 117.633 0.832 18480 9299 1 13 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.045 0.012 18480 9300 1 13 . 1 1 50 50 GLN C C 50 179.449 179.449 178.648 0.801 18480 9301 1 13 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.335 0.690 18480 9302 1 13 . 1 1 50 50 GLN CB C 50 28.007 28.007 27.850 0.157 18480 9303 1 13 . 1 1 50 50 GLN H H 50 8.165 8.165 8.525 -0.360 18480 9304 1 13 . 1 1 51 51 SER N N 51 117.659 117.659 116.560 1.099 18480 9305 1 13 . 1 1 51 51 SER HA H 51 3.854 3.854 4.165 -0.311 18480 9306 1 13 . 1 1 51 51 SER C C 51 176.374 176.374 176.696 -0.322 18480 9307 1 13 . 1 1 51 51 SER CA C 51 62.642 62.642 61.864 0.778 18480 9308 1 13 . 1 1 51 51 SER CB C 51 63.039 63.039 62.763 0.276 18480 9309 1 13 . 1 1 51 51 SER H H 51 8.199 8.199 7.876 0.323 18480 9310 1 13 . 1 1 52 52 ILE N N 52 122.930 122.930 122.236 0.694 18480 9311 1 13 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.659 -0.279 18480 9312 1 13 . 1 1 52 52 ILE C C 52 178.684 178.684 177.972 0.712 18480 9313 1 13 . 1 1 52 52 ILE CA C 52 66.315 66.315 64.960 1.355 18480 9314 1 13 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.724 -0.176 18480 9315 1 13 . 1 1 52 52 ILE H H 52 8.068 8.068 7.985 0.083 18480 9316 1 13 . 1 1 53 53 GLN N N 53 118.774 118.774 119.324 -0.550 18480 9317 1 13 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.982 -0.069 18480 9318 1 13 . 1 1 53 53 GLN C C 53 179.014 179.014 178.844 0.170 18480 9319 1 13 . 1 1 53 53 GLN CA C 53 59.168 59.168 58.655 0.513 18480 9320 1 13 . 1 1 53 53 GLN CB C 53 28.017 28.017 27.842 0.175 18480 9321 1 13 . 1 1 53 53 GLN H H 53 8.459 8.459 8.289 0.170 18480 9322 1 13 . 1 1 54 54 SER N N 54 115.452 115.452 116.890 -1.438 18480 9323 1 13 . 1 1 54 54 SER HA H 54 4.294 4.294 4.218 0.076 18480 9324 1 13 . 1 1 54 54 SER C C 54 176.822 176.822 176.949 -0.127 18480 9325 1 13 . 1 1 54 54 SER CA C 54 61.276 61.276 62.236 -0.960 18480 9326 1 13 . 1 1 54 54 SER CB C 54 62.873 62.873 62.780 0.093 18480 9327 1 13 . 1 1 54 54 SER H H 54 8.330 8.330 8.286 0.044 18480 9328 1 13 . 1 1 55 55 LEU N N 55 121.066 121.066 121.535 -0.469 18480 9329 1 13 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.079 -0.098 18480 9330 1 13 . 1 1 55 55 LEU C C 55 179.434 179.434 178.542 0.892 18480 9331 1 13 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.740 0.236 18480 9332 1 13 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.542 1.063 18480 9333 1 13 . 1 1 55 55 LEU H H 55 8.211 8.211 7.772 0.439 18480 9334 1 13 . 1 1 56 56 ALA N N 56 122.497 122.497 122.080 0.417 18480 9335 1 13 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.060 0.089 18480 9336 1 13 . 1 1 56 56 ALA C C 56 180.530 180.530 179.594 0.936 18480 9337 1 13 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.583 0.486 18480 9338 1 13 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.290 -0.328 18480 9339 1 13 . 1 1 56 56 ALA H H 56 8.902 8.902 8.240 0.662 18480 9340 1 13 . 1 1 57 57 ALA N N 57 122.922 122.922 120.641 2.281 18480 9341 1 13 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.030 0.127 18480 9342 1 13 . 1 1 57 57 ALA C C 57 179.344 179.344 179.713 -0.369 18480 9343 1 13 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.371 0.627 18480 9344 1 13 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.463 -0.434 18480 9345 1 13 . 1 1 57 57 ALA H H 57 8.140 8.140 8.279 -0.139 18480 9346 1 13 . 1 1 58 58 GLN N N 58 113.359 113.359 116.872 -3.513 18480 9347 1 13 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.173 0.189 18480 9348 1 13 . 1 1 58 58 GLN C C 58 176.612 176.612 176.650 -0.038 18480 9349 1 13 . 1 1 58 58 GLN CA C 58 55.598 55.598 56.993 -1.395 18480 9350 1 13 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.851 1.224 18480 9351 1 13 . 1 1 58 58 GLN H H 58 7.415 7.415 7.745 -0.330 18480 9352 1 13 . 1 1 59 59 GLY N N 59 109.012 109.012 106.159 2.853 18480 9353 1 13 . 1 1 59 59 GLY C C 59 174.856 174.856 173.765 1.091 18480 9354 1 13 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.092 1.669 18480 9355 1 13 . 1 1 59 59 GLY H H 59 7.979 7.979 8.070 -0.091 18480 9356 1 13 . 1 1 60 60 ARG N N 60 115.906 115.906 118.484 -2.578 18480 9357 1 13 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.625 -0.023 18480 9358 1 13 . 1 1 60 60 ARG C C 60 175.847 175.847 174.892 0.955 18480 9359 1 13 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.651 1.157 18480 9360 1 13 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.470 1.936 18480 9361 1 13 . 1 1 60 60 ARG H H 60 8.126 8.126 8.268 -0.142 18480 9362 1 13 . 1 1 61 61 THR N N 61 107.985 107.985 113.465 -5.480 18480 9363 1 13 . 1 1 61 61 THR HA H 61 4.125 4.125 4.415 -0.290 18480 9364 1 13 . 1 1 61 61 THR C C 61 173.654 173.654 174.269 -0.615 18480 9365 1 13 . 1 1 61 61 THR CA C 61 62.194 62.194 61.959 0.235 18480 9366 1 13 . 1 1 61 61 THR CB C 61 69.512 69.512 69.055 0.457 18480 9367 1 13 . 1 1 61 61 THR H H 61 7.663 7.663 7.936 -0.273 18480 9368 1 13 . 1 1 62 62 SER N N 62 113.733 113.733 121.157 -7.424 18480 9369 1 13 . 1 1 62 62 SER HA H 62 4.973 4.973 4.989 -0.017 18480 9370 1 13 . 1 1 62 62 SER C C 62 173.207 173.207 173.606 -0.399 18480 9371 1 13 . 1 1 62 62 SER CA C 62 56.343 56.343 55.255 1.088 18480 9372 1 13 . 1 1 62 62 SER CB C 62 63.992 63.992 64.864 -0.872 18480 9373 1 13 . 1 1 62 62 SER H H 62 7.057 7.057 8.330 -1.273 18480 9374 1 13 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.454 0.248 18480 9375 1 13 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.782 0.518 18480 9376 1 13 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.133 0.103 18480 9377 1 13 . 1 1 64 64 ASN N N 64 114.886 114.886 118.727 -3.841 18480 9378 1 13 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.461 -0.059 18480 9379 1 13 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.317 -0.066 18480 9380 1 13 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.549 0.488 18480 9381 1 13 . 1 1 64 64 ASN H H 64 8.642 8.642 8.606 0.036 18480 9382 1 13 . 1 1 65 65 LYS N N 65 119.774 119.774 119.797 -0.023 18480 9383 1 13 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.001 -0.195 18480 9384 1 13 . 1 1 65 65 LYS C C 65 178.999 178.999 178.447 0.552 18480 9385 1 13 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.078 1.800 18480 9386 1 13 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.086 1.151 18480 9387 1 13 . 1 1 65 65 LYS H H 65 7.882 7.882 8.126 -0.244 18480 9388 1 13 . 1 1 66 66 LEU N N 66 117.686 117.686 118.161 -0.475 18480 9389 1 13 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.050 -0.028 18480 9390 1 13 . 1 1 66 66 LEU C C 66 178.928 178.928 179.470 -0.542 18480 9391 1 13 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.350 0.567 18480 9392 1 13 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.031 -0.498 18480 9393 1 13 . 1 1 66 66 LEU H H 66 8.666 8.666 8.244 0.422 18480 9394 1 13 . 1 1 67 67 GLN N N 67 124.469 124.469 120.244 4.225 18480 9395 1 13 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.435 -0.143 18480 9396 1 13 . 1 1 67 67 GLN C C 67 178.789 178.789 177.432 1.357 18480 9397 1 13 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.500 1.391 18480 9398 1 13 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.273 -0.114 18480 9399 1 13 . 1 1 67 67 GLN H H 67 8.997 8.997 8.257 0.740 18480 9400 1 13 . 1 1 68 68 ALA N N 68 121.986 121.986 119.964 2.022 18480 9401 1 13 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.165 -0.355 18480 9402 1 13 . 1 1 68 68 ALA C C 68 180.320 180.320 177.980 2.340 18480 9403 1 13 . 1 1 68 68 ALA CA C 68 55.503 55.503 53.620 1.883 18480 9404 1 13 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.414 -0.202 18480 9405 1 13 . 1 1 68 68 ALA H H 68 7.427 7.427 8.330 -0.903 18480 9406 1 13 . 1 1 69 69 LEU N N 69 118.881 118.881 116.997 1.884 18480 9407 1 13 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.442 -0.390 18480 9408 1 13 . 1 1 69 69 LEU C C 69 178.864 178.864 177.446 1.418 18480 9409 1 13 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.689 3.058 18480 9410 1 13 . 1 1 69 69 LEU CB C 69 41.894 41.894 42.330 -0.436 18480 9411 1 13 . 1 1 69 69 LEU H H 69 8.143 8.143 7.317 0.826 18480 9412 1 13 . 1 1 70 70 ASN N N 70 119.848 119.848 120.293 -0.445 18480 9413 1 13 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.536 -0.145 18480 9414 1 13 . 1 1 70 70 ASN C C 70 177.483 177.483 176.915 0.568 18480 9415 1 13 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.372 1.412 18480 9416 1 13 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.389 0.083 18480 9417 1 13 . 1 1 70 70 ASN H H 70 8.456 8.456 7.922 0.534 18480 9418 1 13 . 1 1 71 71 MET N N 71 118.843 118.843 118.876 -0.033 18480 9419 1 13 . 1 1 71 71 MET HA H 71 4.769 4.769 4.279 0.490 18480 9420 1 13 . 1 1 71 71 MET C C 71 178.279 178.279 177.505 0.774 18480 9421 1 13 . 1 1 71 71 MET CA C 71 56.415 56.415 58.753 -2.338 18480 9422 1 13 . 1 1 71 71 MET CB C 71 29.788 29.788 32.477 -2.689 18480 9423 1 13 . 1 1 71 71 MET H H 71 7.757 7.757 7.773 -0.016 18480 9424 1 13 . 1 1 72 72 ALA N N 72 126.265 126.265 122.792 3.473 18480 9425 1 13 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.003 0.239 18480 9426 1 13 . 1 1 72 72 ALA C C 72 179.059 179.059 179.243 -0.184 18480 9427 1 13 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.306 -0.180 18480 9428 1 13 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.886 1.037 18480 9429 1 13 . 1 1 72 72 ALA H H 72 8.559 8.559 8.193 0.366 18480 9430 1 13 . 1 1 73 73 PHE N N 73 118.887 118.887 119.772 -0.885 18480 9431 1 13 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.083 -0.020 18480 9432 1 13 . 1 1 73 73 PHE C C 73 177.258 177.258 176.740 0.518 18480 9433 1 13 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.672 0.400 18480 9434 1 13 . 1 1 73 73 PHE CB C 73 39.305 39.305 38.997 0.308 18480 9435 1 13 . 1 1 73 73 PHE H H 73 8.337 8.337 7.604 0.733 18480 9436 1 13 . 1 1 74 74 ALA N N 74 122.360 122.360 121.178 1.182 18480 9437 1 13 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.714 -0.483 18480 9438 1 13 . 1 1 74 74 ALA C C 74 179.374 179.374 179.661 -0.287 18480 9439 1 13 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.835 0.981 18480 9440 1 13 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.262 0.619 18480 9441 1 13 . 1 1 74 74 ALA H H 74 8.540 8.540 7.898 0.642 18480 9442 1 13 . 1 1 75 75 SER N N 75 112.265 112.265 114.547 -2.282 18480 9443 1 13 . 1 1 75 75 SER HA H 75 3.858 3.858 4.123 -0.265 18480 9444 1 13 . 1 1 75 75 SER CA C 75 62.251 62.251 62.456 -0.205 18480 9445 1 13 . 1 1 75 75 SER CB C 75 62.874 62.874 63.040 -0.166 18480 9446 1 13 . 1 1 75 75 SER H H 75 8.859 8.859 8.607 0.252 18480 9447 1 13 . 1 1 76 76 SER N N 76 118.859 118.859 118.777 0.082 18480 9448 1 13 . 1 1 76 76 SER HA H 76 3.964 3.964 4.358 -0.394 18480 9449 1 13 . 1 1 76 76 SER CA C 76 63.066 63.066 60.720 2.346 18480 9450 1 13 . 1 1 76 76 SER CB C 76 63.377 63.377 62.830 0.547 18480 9451 1 13 . 1 1 76 76 SER H H 76 8.065 8.065 7.882 0.183 18480 9452 1 13 . 1 1 77 77 MET N N 77 120.030 120.030 118.638 1.392 18480 9453 1 13 . 1 1 77 77 MET HA H 77 4.234 4.234 4.123 0.111 18480 9454 1 13 . 1 1 77 77 MET C C 77 178.354 178.354 178.346 0.008 18480 9455 1 13 . 1 1 77 77 MET CA C 77 57.167 57.167 56.447 0.720 18480 9456 1 13 . 1 1 77 77 MET CB C 77 32.728 32.728 30.739 1.989 18480 9457 1 13 . 1 1 77 77 MET H H 77 7.397 7.397 8.199 -0.802 18480 9458 1 13 . 1 1 78 78 ALA N N 78 119.880 119.880 122.773 -2.893 18480 9459 1 13 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.127 -0.224 18480 9460 1 13 . 1 1 78 78 ALA C C 78 178.354 178.354 178.903 -0.549 18480 9461 1 13 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.211 -0.071 18480 9462 1 13 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.579 0.522 18480 9463 1 13 . 1 1 78 78 ALA H H 78 7.908 7.908 7.663 0.245 18480 9464 1 13 . 1 1 79 79 GLU N N 79 117.907 117.907 119.496 -1.589 18480 9465 1 13 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.909 0.030 18480 9466 1 13 . 1 1 79 79 GLU C C 79 178.894 178.894 179.064 -0.170 18480 9467 1 13 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.807 0.893 18480 9468 1 13 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.198 1.449 18480 9469 1 13 . 1 1 79 79 GLU H H 79 8.576 8.576 7.912 0.664 18480 9470 1 13 . 1 1 80 80 ILE N N 80 121.918 121.918 120.712 1.206 18480 9471 1 13 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.529 0.073 18480 9472 1 13 . 1 1 80 80 ILE C C 80 179.014 179.014 178.054 0.960 18480 9473 1 13 . 1 1 80 80 ILE CA C 80 65.131 65.131 65.353 -0.222 18480 9474 1 13 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.649 -0.024 18480 9475 1 13 . 1 1 80 80 ILE H H 80 8.065 8.065 8.028 0.037 18480 9476 1 13 . 1 1 81 81 ALA N N 81 120.266 120.266 121.864 -1.598 18480 9477 1 13 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.035 0.113 18480 9478 1 13 . 1 1 81 81 ALA C C 81 177.258 177.258 179.424 -2.166 18480 9479 1 13 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.621 0.519 18480 9480 1 13 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.602 0.553 18480 9481 1 13 . 1 1 81 81 ALA H H 81 8.169 8.169 7.483 0.686 18480 9482 1 13 . 1 1 82 82 ALA N N 82 114.813 114.813 121.888 -7.075 18480 9483 1 13 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.985 0.066 18480 9484 1 13 . 1 1 82 82 ALA C C 82 177.693 177.693 179.952 -2.259 18480 9485 1 13 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.124 -1.357 18480 9486 1 13 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.656 2.343 18480 9487 1 13 . 1 1 82 82 ALA H H 82 8.019 8.019 8.664 -0.645 18480 9488 1 13 . 1 1 83 83 SER N N 83 110.140 110.140 112.513 -2.373 18480 9489 1 13 . 1 1 83 83 SER HA H 83 4.415 4.415 4.205 0.210 18480 9490 1 13 . 1 1 83 83 SER C C 83 174.856 174.856 174.713 0.143 18480 9491 1 13 . 1 1 83 83 SER CA C 83 59.772 59.772 61.291 -1.519 18480 9492 1 13 . 1 1 83 83 SER CB C 83 64.952 64.952 64.003 0.949 18480 9493 1 13 . 1 1 83 83 SER H H 83 7.823 7.823 8.119 -0.296 18480 9494 1 13 . 1 1 84 84 GLU N N 84 120.696 120.696 119.570 1.126 18480 9495 1 13 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.410 0.091 18480 9496 1 13 . 1 1 84 84 GLU C C 84 176.597 176.597 174.126 2.471 18480 9497 1 13 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.154 1.442 18480 9498 1 13 . 1 1 84 84 GLU CB C 84 28.537 28.537 32.100 -3.563 18480 9499 1 13 . 1 1 84 84 GLU H H 84 7.666 7.666 7.428 0.238 18480 9500 1 13 . 1 1 85 85 GLU N N 85 124.951 124.951 121.453 3.498 18480 9501 1 13 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.450 -0.188 18480 9502 1 13 . 1 1 85 85 GLU C C 85 177.258 177.258 174.569 2.689 18480 9503 1 13 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.631 2.214 18480 9504 1 13 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.167 -1.364 18480 9505 1 13 . 1 1 85 85 GLU H H 85 8.735 8.735 8.277 0.458 18480 9506 1 13 . 1 1 86 86 GLY N N 86 110.356 110.356 109.226 1.130 18480 9507 1 13 . 1 1 86 86 GLY C C 86 174.856 174.856 174.271 0.585 18480 9508 1 13 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.227 -0.837 18480 9509 1 13 . 1 1 86 86 GLY H H 86 8.609 8.609 8.663 -0.054 18480 9510 1 13 . 1 1 87 87 GLY N N 87 107.569 107.569 110.161 -2.592 18480 9511 1 13 . 1 1 87 87 GLY C C 87 174.436 174.436 173.852 0.584 18480 9512 1 13 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.529 -0.269 18480 9513 1 13 . 1 1 87 87 GLY H H 87 7.931 7.931 8.278 -0.347 18480 9514 1 13 . 1 1 88 88 GLY N N 88 109.889 109.889 107.636 2.253 18480 9515 1 13 . 1 1 88 88 GLY C C 88 173.325 173.325 173.457 -0.132 18480 9516 1 13 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.923 1.243 18480 9517 1 13 . 1 1 88 88 GLY H H 88 8.650 8.650 7.624 1.026 18480 9518 1 13 . 1 1 89 89 SER N N 89 114.731 114.731 118.040 -3.309 18480 9519 1 13 . 1 1 89 89 SER HA H 89 4.411 4.411 4.526 -0.115 18480 9520 1 13 . 1 1 89 89 SER C C 89 175.066 175.066 175.934 -0.868 18480 9521 1 13 . 1 1 89 89 SER CA C 89 57.363 57.363 57.078 0.285 18480 9522 1 13 . 1 1 89 89 SER CB C 89 62.483 62.483 64.838 -2.356 18480 9523 1 13 . 1 1 89 89 SER H H 89 8.640 8.640 8.243 0.397 18480 9524 1 13 . 1 1 90 90 LEU N N 90 123.210 123.210 124.807 -1.597 18480 9525 1 13 . 1 1 90 90 LEU HA H 90 3.975 3.975 3.982 -0.007 18480 9526 1 13 . 1 1 90 90 LEU C C 90 179.434 179.434 178.313 1.121 18480 9527 1 13 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.298 0.045 18480 9528 1 13 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.358 0.006 18480 9529 1 13 . 1 1 90 90 LEU H H 90 8.976 8.976 8.785 0.191 18480 9530 1 13 . 1 1 91 91 SER N N 91 115.789 115.789 111.915 3.874 18480 9531 1 13 . 1 1 91 91 SER HA H 91 4.149 4.149 4.215 -0.066 18480 9532 1 13 . 1 1 91 91 SER C C 91 177.325 177.325 175.773 1.552 18480 9533 1 13 . 1 1 91 91 SER CA C 91 61.794 61.794 61.224 0.570 18480 9534 1 13 . 1 1 91 91 SER CB C 91 62.276 62.276 62.277 -0.001 18480 9535 1 13 . 1 1 91 91 SER H H 91 8.612 8.612 8.368 0.244 18480 9536 1 13 . 1 1 92 92 THR N N 92 122.677 122.677 119.808 2.869 18480 9537 1 13 . 1 1 92 92 THR HA H 92 3.919 3.919 4.092 -0.173 18480 9538 1 13 . 1 1 92 92 THR C C 92 176.162 176.162 176.546 -0.384 18480 9539 1 13 . 1 1 92 92 THR CA C 92 66.719 66.719 66.708 0.011 18480 9540 1 13 . 1 1 92 92 THR CB C 92 68.236 68.236 68.298 -0.062 18480 9541 1 13 . 1 1 92 92 THR H H 92 7.871 7.871 7.998 -0.127 18480 9542 1 13 . 1 1 93 93 LYS N N 93 119.820 119.820 122.207 -2.387 18480 9543 1 13 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.842 -0.273 18480 9544 1 13 . 1 1 93 93 LYS CA C 93 60.652 60.652 60.221 0.431 18480 9545 1 13 . 1 1 93 93 LYS CB C 93 33.728 33.728 32.033 1.695 18480 9546 1 13 . 1 1 93 93 LYS H H 93 8.263 8.263 8.097 0.166 18480 9547 1 13 . 1 1 94 94 THR N N 94 113.759 113.759 116.476 -2.717 18480 9548 1 13 . 1 1 94 94 THR HA H 94 3.692 3.692 4.009 -0.317 18480 9549 1 13 . 1 1 94 94 THR C C 94 177.033 177.033 176.505 0.528 18480 9550 1 13 . 1 1 94 94 THR CA C 94 68.122 68.122 67.386 0.736 18480 9551 1 13 . 1 1 94 94 THR CB C 94 68.342 68.342 68.681 -0.339 18480 9552 1 13 . 1 1 94 94 THR H H 94 8.448 8.448 8.079 0.369 18480 9553 1 13 . 1 1 95 95 SER N N 95 117.547 117.547 116.524 1.023 18480 9554 1 13 . 1 1 95 95 SER HA H 95 4.262 4.262 4.284 -0.022 18480 9555 1 13 . 1 1 95 95 SER C C 95 177.828 177.828 176.994 0.834 18480 9556 1 13 . 1 1 95 95 SER CA C 95 61.758 61.758 61.554 0.204 18480 9557 1 13 . 1 1 95 95 SER CB C 95 62.667 62.667 62.858 -0.191 18480 9558 1 13 . 1 1 95 95 SER H H 95 8.173 8.173 8.502 -0.329 18480 9559 1 13 . 1 1 96 96 SER N N 96 121.366 121.366 118.512 2.854 18480 9560 1 13 . 1 1 96 96 SER HA H 96 4.035 4.035 4.320 -0.285 18480 9561 1 13 . 1 1 96 96 SER CA C 96 62.467 62.467 62.453 0.014 18480 9562 1 13 . 1 1 96 96 SER CB C 96 61.755 61.755 63.199 -1.444 18480 9563 1 13 . 1 1 96 96 SER H H 96 8.830 8.830 7.987 0.843 18480 9564 1 13 . 1 1 97 97 ILE N N 97 121.943 121.943 122.490 -0.547 18480 9565 1 13 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.918 -0.109 18480 9566 1 13 . 1 1 97 97 ILE C C 97 177.693 177.693 177.887 -0.194 18480 9567 1 13 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.634 0.408 18480 9568 1 13 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.933 -0.397 18480 9569 1 13 . 1 1 97 97 ILE H H 97 8.380 8.380 7.790 0.590 18480 9570 1 13 . 1 1 98 98 ALA N N 98 122.507 122.507 122.841 -0.334 18480 9571 1 13 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.065 -0.025 18480 9572 1 13 . 1 1 98 98 ALA C C 98 180.740 180.740 179.869 0.871 18480 9573 1 13 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.626 0.762 18480 9574 1 13 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.125 0.029 18480 9575 1 13 . 1 1 98 98 ALA H H 98 8.624 8.624 8.437 0.187 18480 9576 1 13 . 1 1 99 99 SER N N 99 115.850 115.850 115.262 0.588 18480 9577 1 13 . 1 1 99 99 SER HA H 99 4.325 4.325 4.195 0.130 18480 9578 1 13 . 1 1 99 99 SER C C 99 177.168 177.168 176.674 0.494 18480 9579 1 13 . 1 1 99 99 SER CA C 99 61.867 61.867 61.981 -0.114 18480 9580 1 13 . 1 1 99 99 SER CB C 99 63.200 63.200 62.717 0.483 18480 9581 1 13 . 1 1 99 99 SER H H 99 8.667 8.667 8.099 0.568 18480 9582 1 13 . 1 1 100 100 ALA N N 100 124.410 124.410 124.134 0.276 18480 9583 1 13 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.080 0.062 18480 9584 1 13 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.937 0.451 18480 9585 1 13 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.343 0.284 18480 9586 1 13 . 1 1 100 100 ALA H H 100 8.744 8.744 7.666 1.078 18480 9587 1 13 . 1 1 101 101 MET N N 101 119.346 119.346 118.203 1.143 18480 9588 1 13 . 1 1 101 101 MET HA H 101 4.368 4.368 4.160 0.208 18480 9589 1 13 . 1 1 101 101 MET CA C 101 59.163 59.163 57.553 1.611 18480 9590 1 13 . 1 1 101 101 MET CB C 101 33.233 33.233 31.870 1.363 18480 9591 1 13 . 1 1 101 101 MET H H 101 9.152 9.152 8.912 0.240 18480 9592 1 13 . 1 1 102 102 SER N N 102 117.124 117.124 115.524 1.600 18480 9593 1 13 . 1 1 102 102 SER HA H 102 4.382 4.382 4.399 -0.017 18480 9594 1 13 . 1 1 102 102 SER CA C 102 63.424 63.424 62.305 1.119 18480 9595 1 13 . 1 1 102 102 SER CB C 102 62.639 62.639 62.920 -0.281 18480 9596 1 13 . 1 1 102 102 SER H H 102 8.766 8.766 8.207 0.559 18480 9597 1 13 . 1 1 103 103 ASN N N 103 118.601 118.601 119.863 -1.262 18480 9598 1 13 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.494 -0.028 18480 9599 1 13 . 1 1 103 103 ASN CA C 103 56.639 56.639 56.074 0.565 18480 9600 1 13 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.556 -0.249 18480 9601 1 13 . 1 1 103 103 ASN H H 103 8.298 8.298 7.791 0.507 18480 9602 1 13 . 1 1 104 104 ALA N N 104 122.821 122.821 121.909 0.912 18480 9603 1 13 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.905 0.334 18480 9604 1 13 . 1 1 104 104 ALA C C 104 181.701 181.701 179.619 2.082 18480 9605 1 13 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.744 0.528 18480 9606 1 13 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.799 0.376 18480 9607 1 13 . 1 1 104 104 ALA H H 104 7.969 7.969 7.746 0.223 18480 9608 1 13 . 1 1 105 105 PHE N N 105 119.585 119.585 117.339 2.246 18480 9609 1 13 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.459 -0.251 18480 9610 1 13 . 1 1 105 105 PHE C C 105 179.224 179.224 178.078 1.146 18480 9611 1 13 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.567 2.555 18480 9612 1 13 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.884 0.683 18480 9613 1 13 . 1 1 105 105 PHE H H 105 8.647 8.647 7.788 0.859 18480 9614 1 13 . 1 1 106 106 LEU N N 106 121.925 121.925 118.938 2.987 18480 9615 1 13 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.095 -0.396 18480 9616 1 13 . 1 1 106 106 LEU C C 106 179.074 179.074 179.418 -0.344 18480 9617 1 13 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.808 1.247 18480 9618 1 13 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.517 -0.055 18480 9619 1 13 . 1 1 106 106 LEU H H 106 8.450 8.450 7.380 1.070 18480 9620 1 13 . 1 1 107 107 GLN N N 107 115.214 115.214 117.365 -2.151 18480 9621 1 13 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.204 -0.102 18480 9622 1 13 . 1 1 107 107 GLN C C 107 176.822 176.822 177.551 -0.729 18480 9623 1 13 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.928 -0.342 18480 9624 1 13 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.451 0.828 18480 9625 1 13 . 1 1 107 107 GLN H H 107 8.444 8.444 7.996 0.448 18480 9626 1 13 . 1 1 108 108 THR N N 108 109.014 109.014 112.688 -3.674 18480 9627 1 13 . 1 1 108 108 THR HA H 108 4.369 4.369 4.365 0.004 18480 9628 1 13 . 1 1 108 108 THR C C 108 175.952 175.952 176.035 -0.083 18480 9629 1 13 . 1 1 108 108 THR CA C 108 63.658 63.658 64.011 -0.353 18480 9630 1 13 . 1 1 108 108 THR CB C 108 70.179 70.179 68.939 1.240 18480 9631 1 13 . 1 1 108 108 THR H H 108 7.631 7.631 7.630 0.001 18480 9632 1 13 . 1 1 109 109 THR N N 109 110.844 110.844 114.643 -3.799 18480 9633 1 13 . 1 1 109 109 THR HA H 109 4.477 4.477 4.308 0.169 18480 9634 1 13 . 1 1 109 109 THR C C 109 176.162 176.162 175.859 0.303 18480 9635 1 13 . 1 1 109 109 THR CA C 109 61.728 61.728 62.804 -1.077 18480 9636 1 13 . 1 1 109 109 THR CB C 109 70.659 70.659 69.376 1.283 18480 9637 1 13 . 1 1 109 109 THR H H 109 8.623 8.623 7.876 0.747 18480 9638 1 13 . 1 1 110 110 GLY N N 110 109.549 109.549 109.914 -0.365 18480 9639 1 13 . 1 1 110 110 GLY C C 110 172.889 172.889 173.198 -0.309 18480 9640 1 13 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.978 0.565 18480 9641 1 13 . 1 1 110 110 GLY H H 110 8.113 8.113 8.515 -0.402 18480 9642 1 13 . 1 1 111 111 VAL N N 111 118.903 118.903 119.034 -0.131 18480 9643 1 13 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.455 -0.199 18480 9644 1 13 . 1 1 111 111 VAL C C 111 174.421 174.421 174.340 0.081 18480 9645 1 13 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.380 0.381 18480 9646 1 13 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.461 0.049 18480 9647 1 13 . 1 1 111 111 VAL H H 111 7.724 7.724 7.615 0.109 18480 9648 1 13 . 1 1 112 112 VAL N N 112 124.398 124.398 124.861 -0.463 18480 9649 1 13 . 1 1 112 112 VAL HA H 112 3.233 3.233 3.958 -0.725 18480 9650 1 13 . 1 1 112 112 VAL C C 112 174.646 174.646 174.281 0.365 18480 9651 1 13 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.975 2.760 18480 9652 1 13 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.083 -0.277 18480 9653 1 13 . 1 1 112 112 VAL H H 112 8.627 8.627 8.287 0.340 18480 9654 1 13 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.557 0.012 18480 9655 1 13 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.742 -1.535 18480 9656 1 13 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.278 -0.897 18480 9657 1 13 . 1 1 114 114 GLN N N 114 125.364 125.364 128.009 -2.645 18480 9658 1 13 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.066 -0.126 18480 9659 1 13 . 1 1 114 114 GLN C C 114 174.811 174.811 175.490 -0.679 18480 9660 1 13 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.184 -1.548 18480 9661 1 13 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.344 -1.252 18480 9662 1 13 . 1 1 114 114 GLN H H 114 8.731 8.731 8.770 -0.039 18480 9663 1 13 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.209 0.059 18480 9664 1 13 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.606 1.055 18480 9665 1 13 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.237 -0.040 18480 9666 1 13 . 1 1 116 116 PHE N N 116 118.102 118.102 119.666 -1.564 18480 9667 1 13 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.167 0.094 18480 9668 1 13 . 1 1 116 116 PHE C C 116 176.597 176.597 177.581 -0.984 18480 9669 1 13 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.869 -0.579 18480 9670 1 13 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.252 0.329 18480 9671 1 13 . 1 1 116 116 PHE H H 116 7.712 7.712 8.489 -0.777 18480 9672 1 13 . 1 1 117 117 ILE N N 117 118.950 118.950 117.899 1.051 18480 9673 1 13 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.899 -0.245 18480 9674 1 13 . 1 1 117 117 ILE C C 117 178.789 178.789 178.531 0.258 18480 9675 1 13 . 1 1 117 117 ILE CA C 117 64.640 64.640 64.238 0.402 18480 9676 1 13 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.735 -0.221 18480 9677 1 13 . 1 1 117 117 ILE H H 117 7.747 7.747 7.867 -0.120 18480 9678 1 13 . 1 1 118 118 ASN N N 118 119.204 119.204 118.595 0.609 18480 9679 1 13 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.498 -0.131 18480 9680 1 13 . 1 1 118 118 ASN C C 118 177.033 177.033 178.079 -1.046 18480 9681 1 13 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.620 -0.839 18480 9682 1 13 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.515 -1.030 18480 9683 1 13 . 1 1 118 118 ASN H H 118 8.847 8.847 7.975 0.872 18480 9684 1 13 . 1 1 119 119 GLU N N 119 120.684 120.684 120.170 0.514 18480 9685 1 13 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.086 -0.121 18480 9686 1 13 . 1 1 119 119 GLU C C 119 178.564 178.564 178.770 -0.206 18480 9687 1 13 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.668 0.446 18480 9688 1 13 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.804 -0.286 18480 9689 1 13 . 1 1 119 119 GLU H H 119 8.081 8.081 8.617 -0.536 18480 9690 1 13 . 1 1 120 120 ILE N N 120 118.037 118.037 118.665 -0.628 18480 9691 1 13 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.828 -0.256 18480 9692 1 13 . 1 1 120 120 ILE C C 120 178.279 178.279 177.922 0.357 18480 9693 1 13 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.937 -0.839 18480 9694 1 13 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.358 -1.105 18480 9695 1 13 . 1 1 120 120 ILE H H 120 7.948 7.948 7.716 0.232 18480 9696 1 13 . 1 1 121 121 THR N N 121 113.671 113.671 111.889 1.782 18480 9697 1 13 . 1 1 121 121 THR HA H 121 3.804 3.804 3.999 -0.195 18480 9698 1 13 . 1 1 121 121 THR C C 121 177.258 177.258 176.819 0.439 18480 9699 1 13 . 1 1 121 121 THR CA C 121 66.771 66.771 65.847 0.923 18480 9700 1 13 . 1 1 121 121 THR CB C 121 68.293 68.293 68.601 -0.308 18480 9701 1 13 . 1 1 121 121 THR H H 121 8.345 8.345 7.688 0.657 18480 9702 1 13 . 1 1 122 122 GLN N N 122 121.849 121.849 121.078 0.771 18480 9703 1 13 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.082 -0.083 18480 9704 1 13 . 1 1 122 122 GLN C C 122 179.014 179.014 178.342 0.672 18480 9705 1 13 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.477 0.289 18480 9706 1 13 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.416 0.016 18480 9707 1 13 . 1 1 122 122 GLN H H 122 7.589 7.589 7.411 0.178 18480 9708 1 13 . 1 1 123 123 LEU N N 123 120.855 120.855 120.759 0.096 18480 9709 1 13 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.739 -0.321 18480 9710 1 13 . 1 1 123 123 LEU C C 123 178.354 178.354 178.816 -0.462 18480 9711 1 13 . 1 1 123 123 LEU CA C 123 57.816 57.816 58.091 -0.275 18480 9712 1 13 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.710 -0.859 18480 9713 1 13 . 1 1 123 123 LEU H H 123 8.081 8.081 7.796 0.285 18480 9714 1 13 . 1 1 124 124 VAL N N 124 115.864 115.864 117.338 -1.474 18480 9715 1 13 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.824 -0.474 18480 9716 1 13 . 1 1 124 124 VAL C C 124 177.453 177.453 178.327 -0.874 18480 9717 1 13 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.148 1.325 18480 9718 1 13 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.299 0.307 18480 9719 1 13 . 1 1 124 124 VAL H H 124 7.574 7.574 8.044 -0.470 18480 9720 1 13 . 1 1 125 125 SER N N 125 110.334 110.334 115.189 -4.855 18480 9721 1 13 . 1 1 125 125 SER HA H 125 4.054 4.054 4.156 -0.102 18480 9722 1 13 . 1 1 125 125 SER C C 125 175.937 175.937 176.476 -0.539 18480 9723 1 13 . 1 1 125 125 SER CA C 125 61.763 61.763 61.334 0.429 18480 9724 1 13 . 1 1 125 125 SER CB C 125 62.864 62.864 63.011 -0.148 18480 9725 1 13 . 1 1 125 125 SER H H 125 6.950 6.950 7.592 -0.642 18480 9726 1 13 . 1 1 126 126 MET N N 126 121.750 121.750 119.376 2.374 18480 9727 1 13 . 1 1 126 126 MET HA H 126 3.951 3.951 4.109 -0.158 18480 9728 1 13 . 1 1 126 126 MET C C 126 179.254 179.254 178.458 0.796 18480 9729 1 13 . 1 1 126 126 MET CA C 126 59.246 59.246 58.704 0.542 18480 9730 1 13 . 1 1 126 126 MET CB C 126 33.265 33.265 32.253 1.012 18480 9731 1 13 . 1 1 126 126 MET H H 126 8.113 8.113 8.218 -0.105 18480 9732 1 13 . 1 1 127 127 PHE N N 127 118.909 118.909 117.721 1.188 18480 9733 1 13 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.275 0.368 18480 9734 1 13 . 1 1 127 127 PHE C C 127 178.128 178.128 177.093 1.035 18480 9735 1 13 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.953 -3.193 18480 9736 1 13 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.531 -0.469 18480 9737 1 13 . 1 1 127 127 PHE H H 127 8.791 8.791 7.904 0.887 18480 9738 1 13 . 1 1 128 128 ALA N N 128 122.620 122.620 121.768 0.852 18480 9739 1 13 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.283 -0.107 18480 9740 1 13 . 1 1 128 128 ALA C C 128 178.789 178.789 178.870 -0.081 18480 9741 1 13 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.570 0.095 18480 9742 1 13 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.382 0.783 18480 9743 1 13 . 1 1 128 128 ALA H H 128 8.235 8.235 7.563 0.672 18480 9744 1 13 . 1 1 129 129 GLN N N 129 116.507 116.507 117.265 -0.758 18480 9745 1 13 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.166 0.059 18480 9746 1 13 . 1 1 129 129 GLN C C 129 177.258 177.258 178.081 -0.823 18480 9747 1 13 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.910 -0.892 18480 9748 1 13 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.619 0.506 18480 9749 1 13 . 1 1 129 129 GLN H H 129 7.715 7.715 7.662 0.053 18480 9750 1 13 . 1 1 130 130 ALA N N 130 122.020 122.020 121.056 0.964 18480 9751 1 13 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.200 0.020 18480 9752 1 13 . 1 1 130 130 ALA C C 130 178.564 178.564 178.814 -0.250 18480 9753 1 13 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.228 0.578 18480 9754 1 13 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.142 -0.182 18480 9755 1 13 . 1 1 130 130 ALA H H 130 7.775 7.775 7.346 0.429 18480 9756 1 13 . 1 1 131 131 GLY N N 131 106.006 106.006 106.413 -0.407 18480 9757 1 13 . 1 1 131 131 GLY C C 131 173.970 173.970 174.838 -0.868 18480 9758 1 13 . 1 1 131 131 GLY CA C 131 46.113 46.113 45.927 0.186 18480 9759 1 13 . 1 1 131 131 GLY H H 131 8.110 8.110 8.064 0.046 18480 9760 1 13 . 1 1 132 132 MET N N 132 118.637 118.637 116.192 2.445 18480 9761 1 13 . 1 1 132 132 MET HA H 132 4.401 4.401 4.529 -0.128 18480 9762 1 13 . 1 1 132 132 MET C C 132 175.952 175.952 176.052 -0.100 18480 9763 1 13 . 1 1 132 132 MET CA C 132 56.375 56.375 55.090 1.285 18480 9764 1 13 . 1 1 132 132 MET CB C 132 32.939 32.939 30.660 2.279 18480 9765 1 13 . 1 1 132 132 MET H H 132 7.945 7.945 8.248 -0.303 18480 9766 1 13 . 1 1 133 133 ASN N N 133 117.955 117.955 116.848 1.107 18480 9767 1 13 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.538 0.233 18480 9768 1 13 . 1 1 133 133 ASN C C 133 174.646 174.646 175.787 -1.141 18480 9769 1 13 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.150 -0.662 18480 9770 1 13 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.890 1.486 18480 9771 1 13 . 1 1 133 133 ASN H H 133 8.283 8.283 7.702 0.581 18480 9772 1 13 . 1 1 134 134 ASP N N 134 120.891 120.891 120.888 0.003 18480 9773 1 13 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.567 0.052 18480 9774 1 13 . 1 1 134 134 ASP C C 134 176.162 176.162 176.805 -0.643 18480 9775 1 13 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.416 -1.015 18480 9776 1 13 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.830 -0.657 18480 9777 1 13 . 1 1 134 134 ASP H H 134 8.192 8.192 7.678 0.514 18480 9778 1 13 . 1 1 135 135 VAL N N 135 119.737 119.737 115.245 4.492 18480 9779 1 13 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.707 0.473 18480 9780 1 13 . 1 1 135 135 VAL C C 135 176.162 176.162 175.250 0.912 18480 9781 1 13 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.792 -1.646 18480 9782 1 13 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.115 2.615 18480 9783 1 13 . 1 1 135 135 VAL H H 135 8.056 8.056 7.783 0.273 18480 9784 1 13 . 1 1 136 136 SER N N 136 119.689 119.689 109.616 10.073 18480 9785 1 13 . 1 1 136 136 SER HA H 136 4.427 4.427 4.099 0.328 18480 9786 1 13 . 1 1 136 136 SER C C 136 173.325 173.325 174.161 -0.836 18480 9787 1 13 . 1 1 136 136 SER CA C 136 58.351 58.351 59.373 -1.022 18480 9788 1 13 . 1 1 136 136 SER CB C 136 64.031 64.031 61.597 2.433 18480 9789 1 13 . 1 1 136 136 SER H H 136 8.355 8.355 8.420 -0.065 18480 9790 1 14 . 1 1 3 3 GLY N N 3 110.996 110.996 111.132 -0.136 18480 9791 1 14 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.574 0.902 18480 9792 1 14 . 1 1 3 3 GLY H H 3 8.591 8.591 8.571 0.020 18480 9793 1 14 . 1 1 4 4 ASN N N 4 118.637 118.637 120.528 -1.891 18480 9794 1 14 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.583 0.145 18480 9795 1 14 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.993 0.177 18480 9796 1 14 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.674 0.390 18480 9797 1 14 . 1 1 4 4 ASN H H 4 8.318 8.318 8.006 0.312 18480 9798 1 14 . 1 1 5 5 SER N N 5 116.285 116.285 117.753 -1.468 18480 9799 1 14 . 1 1 5 5 SER HA H 5 4.352 4.352 4.320 0.032 18480 9800 1 14 . 1 1 5 5 SER CA C 5 58.593 58.593 58.670 -0.077 18480 9801 1 14 . 1 1 5 5 SER CB C 5 63.633 63.633 63.505 0.128 18480 9802 1 14 . 1 1 5 5 SER H H 5 8.280 8.280 8.396 -0.117 18480 9803 1 14 . 1 1 6 6 HIS N N 6 119.777 119.777 123.286 -3.509 18480 9804 1 14 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.568 0.170 18480 9805 1 14 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.652 -1.308 18480 9806 1 14 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.495 -1.167 18480 9807 1 14 . 1 1 6 6 HIS H H 6 8.460 8.460 8.557 -0.097 18480 9808 1 14 . 1 1 7 7 THR N N 7 115.111 115.111 113.583 1.528 18480 9809 1 14 . 1 1 7 7 THR HA H 7 4.217 4.217 4.433 -0.216 18480 9810 1 14 . 1 1 7 7 THR C C 7 173.970 173.970 173.266 0.704 18480 9811 1 14 . 1 1 7 7 THR CA C 7 62.118 62.118 60.975 1.143 18480 9812 1 14 . 1 1 7 7 THR CB C 7 69.871 69.871 69.590 0.281 18480 9813 1 14 . 1 1 7 7 THR H H 7 8.202 8.202 8.083 0.119 18480 9814 1 14 . 1 1 8 8 THR N N 8 113.695 113.695 114.692 -0.997 18480 9815 1 14 . 1 1 8 8 THR HA H 8 4.439 4.439 4.425 0.014 18480 9816 1 14 . 1 1 8 8 THR C C 8 172.664 172.664 172.475 0.189 18480 9817 1 14 . 1 1 8 8 THR CA C 8 58.847 58.847 59.210 -0.363 18480 9818 1 14 . 1 1 8 8 THR CB C 8 62.183 62.183 69.236 -7.053 18480 9819 1 14 . 1 1 8 8 THR H H 8 8.113 8.113 7.927 0.186 18480 9820 1 14 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.382 -0.417 18480 9821 1 14 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.031 -0.595 18480 9822 1 14 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.209 -0.038 18480 9823 1 14 . 1 1 10 10 TRP N N 10 108.872 108.872 111.741 -2.869 18480 9824 1 14 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.998 -0.409 18480 9825 1 14 . 1 1 10 10 TRP C C 10 175.817 175.817 175.813 0.004 18480 9826 1 14 . 1 1 10 10 TRP CA C 10 55.172 55.172 55.052 0.120 18480 9827 1 14 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.581 -1.606 18480 9828 1 14 . 1 1 10 10 TRP H H 10 6.511 6.511 7.090 -0.579 18480 9829 1 14 . 1 1 11 11 THR N N 11 113.736 113.736 117.424 -3.688 18480 9830 1 14 . 1 1 11 11 THR HA H 11 3.899 3.899 4.251 -0.352 18480 9831 1 14 . 1 1 11 11 THR C C 11 173.970 173.970 173.892 0.078 18480 9832 1 14 . 1 1 11 11 THR CA C 11 65.731 65.731 64.627 1.104 18480 9833 1 14 . 1 1 11 11 THR CB C 11 69.609 69.609 68.986 0.623 18480 9834 1 14 . 1 1 11 11 THR H H 11 7.310 7.310 7.657 -0.347 18480 9835 1 14 . 1 1 12 12 ASN N N 12 112.814 112.814 116.313 -3.499 18480 9836 1 14 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.090 -0.418 18480 9837 1 14 . 1 1 12 12 ASN C C 12 172.889 172.889 173.382 -0.493 18480 9838 1 14 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.818 1.310 18480 9839 1 14 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.223 0.476 18480 9840 1 14 . 1 1 12 12 ASN H H 12 7.234 7.234 7.476 -0.242 18480 9841 1 14 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.274 -0.192 18480 9842 1 14 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.812 -0.170 18480 9843 1 14 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.880 0.173 18480 9844 1 14 . 1 1 14 14 GLY N N 14 107.424 107.424 107.472 -0.048 18480 9845 1 14 . 1 1 14 14 GLY C C 14 175.952 175.952 176.644 -0.692 18480 9846 1 14 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.882 0.308 18480 9847 1 14 . 1 1 14 14 GLY H H 14 8.288 8.288 8.393 -0.105 18480 9848 1 14 . 1 1 15 15 LEU N N 15 122.906 122.906 122.162 0.744 18480 9849 1 14 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.039 -0.009 18480 9850 1 14 . 1 1 15 15 LEU C C 15 178.564 178.564 178.976 -0.412 18480 9851 1 14 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.136 0.740 18480 9852 1 14 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.647 0.669 18480 9853 1 14 . 1 1 15 15 LEU H H 15 7.956 7.956 8.854 -0.898 18480 9854 1 14 . 1 1 16 16 ALA N N 16 122.949 122.949 122.793 0.156 18480 9855 1 14 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.273 -0.168 18480 9856 1 14 . 1 1 16 16 ALA C C 16 179.104 179.104 179.676 -0.572 18480 9857 1 14 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.968 1.012 18480 9858 1 14 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.708 0.427 18480 9859 1 14 . 1 1 16 16 ALA H H 16 7.598 7.598 7.802 -0.204 18480 9860 1 14 . 1 1 17 17 GLU N N 17 116.632 116.632 116.442 0.190 18480 9861 1 14 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.010 -0.190 18480 9862 1 14 . 1 1 17 17 GLU C C 17 177.993 177.993 178.457 -0.464 18480 9863 1 14 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.641 0.408 18480 9864 1 14 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.350 -0.629 18480 9865 1 14 . 1 1 17 17 GLU H H 17 8.097 8.097 8.092 0.005 18480 9866 1 14 . 1 1 18 18 ASN N N 18 117.645 117.645 119.035 -1.390 18480 9867 1 14 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.560 -0.133 18480 9868 1 14 . 1 1 18 18 ASN C C 18 178.347 178.347 177.425 0.922 18480 9869 1 14 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.431 0.663 18480 9870 1 14 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.370 -0.245 18480 9871 1 14 . 1 1 18 18 ASN H H 18 8.196 8.196 7.686 0.510 18480 9872 1 14 . 1 1 19 19 PHE N N 19 123.188 123.188 122.693 0.495 18480 9873 1 14 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.165 -0.214 18480 9874 1 14 . 1 1 19 19 PHE C C 19 176.837 176.837 177.412 -0.575 18480 9875 1 14 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.735 0.162 18480 9876 1 14 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.070 0.659 18480 9877 1 14 . 1 1 19 19 PHE H H 19 8.868 8.868 8.401 0.467 18480 9878 1 14 . 1 1 20 20 MET N N 20 118.140 118.140 117.161 0.979 18480 9879 1 14 . 1 1 20 20 MET HA H 20 3.303 3.303 3.715 -0.412 18480 9880 1 14 . 1 1 20 20 MET C C 20 178.924 178.924 177.880 1.044 18480 9881 1 14 . 1 1 20 20 MET CA C 20 60.043 60.043 59.435 0.608 18480 9882 1 14 . 1 1 20 20 MET CB C 20 33.527 33.527 32.232 1.295 18480 9883 1 14 . 1 1 20 20 MET H H 20 7.644 7.644 7.608 0.036 18480 9884 1 14 . 1 1 21 21 ASN N N 21 116.213 116.213 117.849 -1.636 18480 9885 1 14 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.400 0.053 18480 9886 1 14 . 1 1 21 21 ASN C C 21 178.249 178.249 177.772 0.477 18480 9887 1 14 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.358 -0.409 18480 9888 1 14 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.070 0.027 18480 9889 1 14 . 1 1 21 21 ASN H H 21 8.169 8.169 7.881 0.288 18480 9890 1 14 . 1 1 22 22 SER N N 22 117.086 117.086 116.548 0.538 18480 9891 1 14 . 1 1 22 22 SER HA H 22 4.152 4.152 4.109 0.043 18480 9892 1 14 . 1 1 22 22 SER C C 22 178.143 178.143 176.227 1.916 18480 9893 1 14 . 1 1 22 22 SER CA C 22 62.154 62.154 61.443 0.711 18480 9894 1 14 . 1 1 22 22 SER CB C 22 62.709 62.709 62.993 -0.284 18480 9895 1 14 . 1 1 22 22 SER H H 22 8.650 8.650 7.944 0.706 18480 9896 1 14 . 1 1 23 23 PHE N N 23 124.044 124.044 125.306 -1.262 18480 9897 1 14 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.188 -0.320 18480 9898 1 14 . 1 1 23 23 PHE C C 23 175.652 175.652 177.095 -1.443 18480 9899 1 14 . 1 1 23 23 PHE CA C 23 62.118 62.118 61.020 1.098 18480 9900 1 14 . 1 1 23 23 PHE CB C 23 38.250 38.250 38.889 -0.639 18480 9901 1 14 . 1 1 23 23 PHE H H 23 8.394 8.394 7.567 0.827 18480 9902 1 14 . 1 1 24 24 MET N N 24 117.794 117.794 117.254 0.540 18480 9903 1 14 . 1 1 24 24 MET HA H 24 4.177 4.177 3.764 0.413 18480 9904 1 14 . 1 1 24 24 MET C C 24 179.797 179.797 178.712 1.085 18480 9905 1 14 . 1 1 24 24 MET CA C 24 56.498 56.498 57.203 -0.705 18480 9906 1 14 . 1 1 24 24 MET CB C 24 31.903 31.903 30.942 0.961 18480 9907 1 14 . 1 1 24 24 MET H H 24 7.781 7.781 8.242 -0.461 18480 9908 1 14 . 1 1 25 25 GLN N N 25 119.477 119.477 118.600 0.877 18480 9909 1 14 . 1 1 25 25 GLN HA H 25 3.964 3.964 3.963 0.001 18480 9910 1 14 . 1 1 25 25 GLN C C 25 179.870 179.870 178.491 1.379 18480 9911 1 14 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.360 0.388 18480 9912 1 14 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.373 0.011 18480 9913 1 14 . 1 1 25 25 GLN H H 25 8.233 8.233 7.943 0.290 18480 9914 1 14 . 1 1 26 26 GLY N N 26 107.052 107.052 107.215 -0.163 18480 9915 1 14 . 1 1 26 26 GLY C C 26 176.387 176.387 175.846 0.541 18480 9916 1 14 . 1 1 26 26 GLY CA C 26 46.673 46.673 46.011 0.662 18480 9917 1 14 . 1 1 26 26 GLY H H 26 7.936 7.936 7.862 0.074 18480 9918 1 14 . 1 1 27 27 LEU N N 27 122.471 122.471 122.898 -0.427 18480 9919 1 14 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.885 -0.167 18480 9920 1 14 . 1 1 27 27 LEU C C 27 178.564 178.564 178.577 -0.013 18480 9921 1 14 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.253 0.940 18480 9922 1 14 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.319 0.374 18480 9923 1 14 . 1 1 27 27 LEU H H 27 8.157 8.157 8.213 -0.056 18480 9924 1 14 . 1 1 28 28 SER N N 28 109.215 109.215 114.506 -5.291 18480 9925 1 14 . 1 1 28 28 SER HA H 28 4.064 4.064 4.250 -0.186 18480 9926 1 14 . 1 1 28 28 SER C C 28 174.421 174.421 175.169 -0.748 18480 9927 1 14 . 1 1 28 28 SER CA C 28 61.444 61.444 60.152 1.292 18480 9928 1 14 . 1 1 28 28 SER CB C 28 63.210 63.210 62.484 0.726 18480 9929 1 14 . 1 1 28 28 SER H H 28 7.469 7.469 8.180 -0.711 18480 9930 1 14 . 1 1 29 29 SER N N 29 114.308 114.308 114.694 -0.386 18480 9931 1 14 . 1 1 29 29 SER HA H 29 4.667 4.667 4.556 0.111 18480 9932 1 14 . 1 1 29 29 SER C C 29 173.970 173.970 173.464 0.506 18480 9933 1 14 . 1 1 29 29 SER CA C 29 57.914 57.914 57.934 -0.020 18480 9934 1 14 . 1 1 29 29 SER CB C 29 64.359 64.359 63.722 0.637 18480 9935 1 14 . 1 1 29 29 SER H H 29 7.383 7.383 7.522 -0.139 18480 9936 1 14 . 1 1 30 30 MET N N 30 122.604 122.604 122.963 -0.359 18480 9937 1 14 . 1 1 30 30 MET HA H 30 4.882 4.882 4.939 -0.057 18480 9938 1 14 . 1 1 30 30 MET C C 30 174.195 174.195 174.623 -0.428 18480 9939 1 14 . 1 1 30 30 MET CA C 30 53.753 53.753 52.132 1.621 18480 9940 1 14 . 1 1 30 30 MET CB C 30 32.013 32.013 31.579 0.434 18480 9941 1 14 . 1 1 30 30 MET H H 30 7.804 7.804 7.589 0.215 18480 9942 1 14 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.503 0.163 18480 9943 1 14 . 1 1 31 31 PRO CA C 31 63.697 63.697 62.916 0.781 18480 9944 1 14 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.855 0.098 18480 9945 1 14 . 1 1 32 32 GLY N N 32 104.648 104.648 106.887 -2.239 18480 9946 1 14 . 1 1 32 32 GLY C C 32 172.454 172.454 174.176 -1.722 18480 9947 1 14 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.379 0.042 18480 9948 1 14 . 1 1 32 32 GLY H H 32 8.363 8.363 8.341 0.022 18480 9949 1 14 . 1 1 33 33 PHE N N 33 116.917 116.917 120.035 -3.118 18480 9950 1 14 . 1 1 33 33 PHE HA H 33 5.287 5.287 5.087 0.200 18480 9951 1 14 . 1 1 33 33 PHE C C 33 176.387 176.387 175.081 1.306 18480 9952 1 14 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.118 -0.216 18480 9953 1 14 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.506 0.784 18480 9954 1 14 . 1 1 33 33 PHE H H 33 8.118 8.118 7.499 0.619 18480 9955 1 14 . 1 1 34 34 THR N N 34 113.457 113.457 111.782 1.675 18480 9956 1 14 . 1 1 34 34 THR HA H 34 4.494 4.494 4.617 -0.123 18480 9957 1 14 . 1 1 34 34 THR C C 34 175.066 175.066 174.925 0.141 18480 9958 1 14 . 1 1 34 34 THR CA C 34 59.946 59.946 59.464 0.482 18480 9959 1 14 . 1 1 34 34 THR CB C 34 70.967 70.967 72.462 -1.495 18480 9960 1 14 . 1 1 34 34 THR H H 34 8.727 8.727 8.208 0.519 18480 9961 1 14 . 1 1 35 35 ALA N N 35 122.737 122.737 123.818 -1.081 18480 9962 1 14 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.238 -0.153 18480 9963 1 14 . 1 1 35 35 ALA C C 35 180.755 180.755 178.917 1.838 18480 9964 1 14 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.075 1.448 18480 9965 1 14 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.235 -0.165 18480 9966 1 14 . 1 1 35 35 ALA H H 35 8.913 8.913 8.627 0.286 18480 9967 1 14 . 1 1 36 36 SER N N 36 113.331 113.331 111.645 1.686 18480 9968 1 14 . 1 1 36 36 SER HA H 36 4.244 4.244 4.508 -0.264 18480 9969 1 14 . 1 1 36 36 SER C C 36 177.033 177.033 175.425 1.608 18480 9970 1 14 . 1 1 36 36 SER CA C 36 61.453 61.453 60.102 1.351 18480 9971 1 14 . 1 1 36 36 SER CB C 36 62.529 62.529 63.363 -0.834 18480 9972 1 14 . 1 1 36 36 SER H H 36 8.347 8.347 8.122 0.225 18480 9973 1 14 . 1 1 37 37 GLN N N 37 122.548 122.548 121.536 1.012 18480 9974 1 14 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.372 -0.313 18480 9975 1 14 . 1 1 37 37 GLN C C 37 179.149 179.149 177.701 1.448 18480 9976 1 14 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.165 0.802 18480 9977 1 14 . 1 1 37 37 GLN CB C 37 28.021 28.021 29.788 -1.768 18480 9978 1 14 . 1 1 37 37 GLN H H 37 7.500 7.500 7.824 -0.324 18480 9979 1 14 . 1 1 38 38 LEU N N 38 117.948 117.948 119.770 -1.822 18480 9980 1 14 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.081 -0.189 18480 9981 1 14 . 1 1 38 38 LEU C C 38 179.675 179.675 178.470 1.205 18480 9982 1 14 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.295 0.664 18480 9983 1 14 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.054 0.439 18480 9984 1 14 . 1 1 38 38 LEU H H 38 8.217 8.217 8.118 0.099 18480 9985 1 14 . 1 1 39 39 ASP N N 39 120.923 120.923 119.208 1.715 18480 9986 1 14 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.261 0.150 18480 9987 1 14 . 1 1 39 39 ASP C C 39 179.224 179.224 177.913 1.311 18480 9988 1 14 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.326 -0.720 18480 9989 1 14 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.909 0.919 18480 9990 1 14 . 1 1 39 39 ASP H H 39 8.192 8.192 8.368 -0.176 18480 9991 1 14 . 1 1 40 40 ASP N N 40 123.608 123.608 118.740 4.868 18480 9992 1 14 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.489 -0.272 18480 9993 1 14 . 1 1 40 40 ASP C C 40 179.600 179.600 178.371 1.229 18480 9994 1 14 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.882 1.758 18480 9995 1 14 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.356 -2.044 18480 9996 1 14 . 1 1 40 40 ASP H H 40 8.366 8.366 7.662 0.704 18480 9997 1 14 . 1 1 41 41 MET N N 41 118.772 118.772 116.942 1.830 18480 9998 1 14 . 1 1 41 41 MET HA H 41 3.638 3.638 4.438 -0.800 18480 9999 1 14 . 1 1 41 41 MET C C 41 177.693 177.693 178.262 -0.569 18480 10000 1 14 . 1 1 41 41 MET CA C 41 60.513 60.513 58.726 1.787 18480 10001 1 14 . 1 1 41 41 MET CB C 41 34.320 34.320 32.526 1.794 18480 10002 1 14 . 1 1 41 41 MET H H 41 8.423 8.423 7.555 0.868 18480 10003 1 14 . 1 1 42 42 SER N N 42 115.040 115.040 116.199 -1.159 18480 10004 1 14 . 1 1 42 42 SER HA H 42 4.168 4.168 4.258 -0.090 18480 10005 1 14 . 1 1 42 42 SER C C 42 177.483 177.483 176.235 1.248 18480 10006 1 14 . 1 1 42 42 SER CA C 42 61.923 61.923 61.558 0.365 18480 10007 1 14 . 1 1 42 42 SER CB C 42 63.084 63.084 62.917 0.167 18480 10008 1 14 . 1 1 42 42 SER H H 42 8.901 8.901 8.688 0.213 18480 10009 1 14 . 1 1 43 43 THR N N 43 118.747 118.747 119.225 -0.478 18480 10010 1 14 . 1 1 43 43 THR HA H 43 3.914 3.914 4.050 -0.136 18480 10011 1 14 . 1 1 43 43 THR C C 43 177.258 177.258 176.499 0.759 18480 10012 1 14 . 1 1 43 43 THR CA C 43 67.017 67.017 66.984 0.034 18480 10013 1 14 . 1 1 43 43 THR CB C 43 69.500 69.500 68.607 0.893 18480 10014 1 14 . 1 1 43 43 THR H H 43 8.479 8.479 7.392 1.087 18480 10015 1 14 . 1 1 44 44 ILE N N 44 121.898 121.898 121.373 0.525 18480 10016 1 14 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.718 -0.015 18480 10017 1 14 . 1 1 44 44 ILE C C 44 178.564 178.564 177.407 1.157 18480 10018 1 14 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.202 -1.138 18480 10019 1 14 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.446 -1.237 18480 10020 1 14 . 1 1 44 44 ILE H H 44 7.807 7.807 7.497 0.310 18480 10021 1 14 . 1 1 45 45 ALA N N 45 124.002 124.002 123.511 0.491 18480 10022 1 14 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.730 0.312 18480 10023 1 14 . 1 1 45 45 ALA C C 45 179.404 179.404 179.571 -0.167 18480 10024 1 14 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.657 0.884 18480 10025 1 14 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.102 0.356 18480 10026 1 14 . 1 1 45 45 ALA H H 45 9.145 9.145 8.565 0.580 18480 10027 1 14 . 1 1 46 46 GLN N N 46 115.753 115.753 116.907 -1.154 18480 10028 1 14 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.004 0.019 18480 10029 1 14 . 1 1 46 46 GLN C C 46 179.014 179.014 178.623 0.391 18480 10030 1 14 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.515 0.438 18480 10031 1 14 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.513 -0.113 18480 10032 1 14 . 1 1 46 46 GLN H H 46 8.459 8.459 7.951 0.508 18480 10033 1 14 . 1 1 47 47 SER N N 47 116.041 116.041 117.021 -0.980 18480 10034 1 14 . 1 1 47 47 SER HA H 47 4.258 4.258 4.184 0.074 18480 10035 1 14 . 1 1 47 47 SER C C 47 177.483 177.483 176.810 0.673 18480 10036 1 14 . 1 1 47 47 SER CA C 47 62.328 62.328 61.759 0.569 18480 10037 1 14 . 1 1 47 47 SER CB C 47 63.154 63.154 63.087 0.067 18480 10038 1 14 . 1 1 47 47 SER H H 47 7.961 7.961 8.162 -0.201 18480 10039 1 14 . 1 1 48 48 MET N N 48 122.349 122.349 121.177 1.172 18480 10040 1 14 . 1 1 48 48 MET HA H 48 4.376 4.376 4.254 0.122 18480 10041 1 14 . 1 1 48 48 MET C C 48 177.798 177.798 178.515 -0.717 18480 10042 1 14 . 1 1 48 48 MET CA C 48 58.198 58.198 57.688 0.510 18480 10043 1 14 . 1 1 48 48 MET CB C 48 32.102 32.102 31.729 0.373 18480 10044 1 14 . 1 1 48 48 MET H H 48 8.508 8.508 8.484 0.024 18480 10045 1 14 . 1 1 49 49 VAL N N 49 122.061 122.061 120.027 2.034 18480 10046 1 14 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.559 -0.117 18480 10047 1 14 . 1 1 49 49 VAL C C 49 177.910 177.910 178.585 -0.675 18480 10048 1 14 . 1 1 49 49 VAL CA C 49 67.923 67.923 67.111 0.812 18480 10049 1 14 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.746 1.013 18480 10050 1 14 . 1 1 49 49 VAL H H 49 8.541 8.541 8.229 0.312 18480 10051 1 14 . 1 1 50 50 GLN N N 50 118.465 118.465 117.861 0.604 18480 10052 1 14 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.017 0.040 18480 10053 1 14 . 1 1 50 50 GLN C C 50 179.449 179.449 178.626 0.823 18480 10054 1 14 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.842 0.183 18480 10055 1 14 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.548 -0.541 18480 10056 1 14 . 1 1 50 50 GLN H H 50 8.165 8.165 8.596 -0.431 18480 10057 1 14 . 1 1 51 51 SER N N 51 117.659 117.659 118.232 -0.573 18480 10058 1 14 . 1 1 51 51 SER HA H 51 3.854 3.854 4.173 -0.319 18480 10059 1 14 . 1 1 51 51 SER C C 51 176.374 176.374 176.450 -0.076 18480 10060 1 14 . 1 1 51 51 SER CA C 51 62.642 62.642 62.773 -0.131 18480 10061 1 14 . 1 1 51 51 SER CB C 51 63.039 63.039 62.740 0.299 18480 10062 1 14 . 1 1 51 51 SER H H 51 8.199 8.199 8.144 0.055 18480 10063 1 14 . 1 1 52 52 ILE N N 52 122.930 122.930 122.528 0.402 18480 10064 1 14 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.565 -0.185 18480 10065 1 14 . 1 1 52 52 ILE C C 52 178.684 178.684 177.850 0.834 18480 10066 1 14 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.537 0.778 18480 10067 1 14 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.654 -0.106 18480 10068 1 14 . 1 1 52 52 ILE H H 52 8.068 8.068 8.239 -0.171 18480 10069 1 14 . 1 1 53 53 GLN N N 53 118.774 118.774 118.620 0.154 18480 10070 1 14 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.936 -0.023 18480 10071 1 14 . 1 1 53 53 GLN C C 53 179.014 179.014 178.631 0.383 18480 10072 1 14 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.386 -0.218 18480 10073 1 14 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.578 -0.561 18480 10074 1 14 . 1 1 53 53 GLN H H 53 8.459 8.459 7.957 0.502 18480 10075 1 14 . 1 1 54 54 SER N N 54 115.452 115.452 117.102 -1.650 18480 10076 1 14 . 1 1 54 54 SER HA H 54 4.294 4.294 4.218 0.076 18480 10077 1 14 . 1 1 54 54 SER C C 54 176.822 176.822 176.623 0.199 18480 10078 1 14 . 1 1 54 54 SER CA C 54 61.276 61.276 62.402 -1.126 18480 10079 1 14 . 1 1 54 54 SER CB C 54 62.873 62.873 62.924 -0.051 18480 10080 1 14 . 1 1 54 54 SER H H 54 8.330 8.330 8.013 0.317 18480 10081 1 14 . 1 1 55 55 LEU N N 55 121.066 121.066 121.526 -0.460 18480 10082 1 14 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.106 -0.125 18480 10083 1 14 . 1 1 55 55 LEU C C 55 179.434 179.434 178.470 0.964 18480 10084 1 14 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.546 0.430 18480 10085 1 14 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.547 1.059 18480 10086 1 14 . 1 1 55 55 LEU H H 55 8.211 8.211 8.243 -0.032 18480 10087 1 14 . 1 1 56 56 ALA N N 56 122.497 122.497 122.353 0.144 18480 10088 1 14 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.139 0.010 18480 10089 1 14 . 1 1 56 56 ALA C C 56 180.530 180.530 179.559 0.971 18480 10090 1 14 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.543 0.526 18480 10091 1 14 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.289 -0.327 18480 10092 1 14 . 1 1 56 56 ALA H H 56 8.902 8.902 8.341 0.561 18480 10093 1 14 . 1 1 57 57 ALA N N 57 122.922 122.922 120.406 2.516 18480 10094 1 14 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.050 0.107 18480 10095 1 14 . 1 1 57 57 ALA C C 57 179.344 179.344 179.661 -0.317 18480 10096 1 14 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.366 0.632 18480 10097 1 14 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.439 -0.409 18480 10098 1 14 . 1 1 57 57 ALA H H 57 8.140 8.140 7.941 0.199 18480 10099 1 14 . 1 1 58 58 GLN N N 58 113.359 113.359 117.069 -3.710 18480 10100 1 14 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.241 0.121 18480 10101 1 14 . 1 1 58 58 GLN C C 58 176.612 176.612 177.033 -0.421 18480 10102 1 14 . 1 1 58 58 GLN CA C 58 55.598 55.598 56.395 -0.797 18480 10103 1 14 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.669 1.405 18480 10104 1 14 . 1 1 58 58 GLN H H 58 7.415 7.415 7.850 -0.435 18480 10105 1 14 . 1 1 59 59 GLY N N 59 109.012 109.012 105.537 3.475 18480 10106 1 14 . 1 1 59 59 GLY C C 59 174.856 174.856 174.806 0.050 18480 10107 1 14 . 1 1 59 59 GLY CA C 59 46.761 46.761 44.969 1.792 18480 10108 1 14 . 1 1 59 59 GLY H H 59 7.979 7.979 8.098 -0.119 18480 10109 1 14 . 1 1 60 60 ARG N N 60 115.906 115.906 117.697 -1.791 18480 10110 1 14 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.456 0.146 18480 10111 1 14 . 1 1 60 60 ARG C C 60 175.847 175.847 176.423 -0.576 18480 10112 1 14 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.431 1.377 18480 10113 1 14 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.165 2.241 18480 10114 1 14 . 1 1 60 60 ARG H H 60 8.126 8.126 8.396 -0.270 18480 10115 1 14 . 1 1 61 61 THR N N 61 107.985 107.985 114.978 -6.993 18480 10116 1 14 . 1 1 61 61 THR HA H 61 4.125 4.125 4.277 -0.152 18480 10117 1 14 . 1 1 61 61 THR C C 61 173.654 173.654 174.077 -0.423 18480 10118 1 14 . 1 1 61 61 THR CA C 61 62.194 62.194 63.263 -1.069 18480 10119 1 14 . 1 1 61 61 THR CB C 61 69.512 69.512 69.077 0.435 18480 10120 1 14 . 1 1 61 61 THR H H 61 7.663 7.663 7.640 0.023 18480 10121 1 14 . 1 1 62 62 SER N N 62 113.733 113.733 120.332 -6.599 18480 10122 1 14 . 1 1 62 62 SER HA H 62 4.973 4.973 4.841 0.132 18480 10123 1 14 . 1 1 62 62 SER C C 62 173.207 173.207 173.522 -0.315 18480 10124 1 14 . 1 1 62 62 SER CA C 62 56.343 56.343 56.181 0.162 18480 10125 1 14 . 1 1 62 62 SER CB C 62 63.992 63.992 65.634 -1.642 18480 10126 1 14 . 1 1 62 62 SER H H 62 7.057 7.057 7.793 -0.736 18480 10127 1 14 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.817 -0.115 18480 10128 1 14 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.800 0.500 18480 10129 1 14 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.048 0.188 18480 10130 1 14 . 1 1 64 64 ASN N N 64 114.886 114.886 116.667 -1.781 18480 10131 1 14 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.416 -0.014 18480 10132 1 14 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.913 0.338 18480 10133 1 14 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.115 0.922 18480 10134 1 14 . 1 1 64 64 ASN H H 64 8.642 8.642 8.696 -0.054 18480 10135 1 14 . 1 1 65 65 LYS N N 65 119.774 119.774 122.327 -2.553 18480 10136 1 14 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.106 -0.300 18480 10137 1 14 . 1 1 65 65 LYS C C 65 178.999 178.999 178.873 0.126 18480 10138 1 14 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.805 2.073 18480 10139 1 14 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.129 1.108 18480 10140 1 14 . 1 1 65 65 LYS H H 65 7.882 7.882 7.660 0.222 18480 10141 1 14 . 1 1 66 66 LEU N N 66 117.686 117.686 118.891 -1.205 18480 10142 1 14 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.964 0.058 18480 10143 1 14 . 1 1 66 66 LEU C C 66 178.928 178.928 178.469 0.459 18480 10144 1 14 . 1 1 66 66 LEU CA C 66 57.917 57.917 58.046 -0.129 18480 10145 1 14 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.590 -0.057 18480 10146 1 14 . 1 1 66 66 LEU H H 66 8.666 8.666 8.076 0.590 18480 10147 1 14 . 1 1 67 67 GLN N N 67 124.469 124.469 119.802 4.667 18480 10148 1 14 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.397 -0.105 18480 10149 1 14 . 1 1 67 67 GLN C C 67 178.789 178.789 177.941 0.848 18480 10150 1 14 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.994 0.897 18480 10151 1 14 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.014 0.145 18480 10152 1 14 . 1 1 67 67 GLN H H 67 8.997 8.997 8.150 0.847 18480 10153 1 14 . 1 1 68 68 ALA N N 68 121.986 121.986 121.820 0.166 18480 10154 1 14 . 1 1 68 68 ALA HA H 68 3.810 3.810 3.992 -0.182 18480 10155 1 14 . 1 1 68 68 ALA C C 68 180.320 180.320 179.757 0.563 18480 10156 1 14 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.894 0.609 18480 10157 1 14 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.107 0.105 18480 10158 1 14 . 1 1 68 68 ALA H H 68 7.427 7.427 7.962 -0.535 18480 10159 1 14 . 1 1 69 69 LEU N N 69 118.881 118.881 119.443 -0.562 18480 10160 1 14 . 1 1 69 69 LEU HA H 69 4.052 4.052 3.899 0.153 18480 10161 1 14 . 1 1 69 69 LEU C C 69 178.864 178.864 179.071 -0.207 18480 10162 1 14 . 1 1 69 69 LEU CA C 69 57.747 57.747 58.050 -0.303 18480 10163 1 14 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.440 0.454 18480 10164 1 14 . 1 1 69 69 LEU H H 69 8.143 8.143 7.738 0.405 18480 10165 1 14 . 1 1 70 70 ASN N N 70 119.848 119.848 117.785 2.063 18480 10166 1 14 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.539 -0.148 18480 10167 1 14 . 1 1 70 70 ASN C C 70 177.483 177.483 177.862 -0.379 18480 10168 1 14 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.246 1.538 18480 10169 1 14 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.040 1.432 18480 10170 1 14 . 1 1 70 70 ASN H H 70 8.456 8.456 8.459 -0.003 18480 10171 1 14 . 1 1 71 71 MET N N 71 118.843 118.843 119.389 -0.546 18480 10172 1 14 . 1 1 71 71 MET HA H 71 4.769 4.769 4.280 0.489 18480 10173 1 14 . 1 1 71 71 MET C C 71 178.279 178.279 178.187 0.092 18480 10174 1 14 . 1 1 71 71 MET CA C 71 56.415 56.415 57.124 -0.709 18480 10175 1 14 . 1 1 71 71 MET CB C 71 29.788 29.788 31.283 -1.495 18480 10176 1 14 . 1 1 71 71 MET H H 71 7.757 7.757 7.958 -0.201 18480 10177 1 14 . 1 1 72 72 ALA N N 72 126.265 126.265 122.820 3.445 18480 10178 1 14 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.056 0.186 18480 10179 1 14 . 1 1 72 72 ALA C C 72 179.059 179.059 179.701 -0.642 18480 10180 1 14 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.208 -0.082 18480 10181 1 14 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.987 0.936 18480 10182 1 14 . 1 1 72 72 ALA H H 72 8.559 8.559 8.500 0.059 18480 10183 1 14 . 1 1 73 73 PHE N N 73 118.887 118.887 120.624 -1.737 18480 10184 1 14 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.307 -0.244 18480 10185 1 14 . 1 1 73 73 PHE C C 73 177.258 177.258 177.337 -0.079 18480 10186 1 14 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.405 0.667 18480 10187 1 14 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.083 0.223 18480 10188 1 14 . 1 1 73 73 PHE H H 73 8.337 8.337 8.627 -0.290 18480 10189 1 14 . 1 1 74 74 ALA N N 74 122.360 122.360 121.737 0.623 18480 10190 1 14 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.611 -0.380 18480 10191 1 14 . 1 1 74 74 ALA C C 74 179.374 179.374 179.560 -0.186 18480 10192 1 14 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.970 0.846 18480 10193 1 14 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.172 0.709 18480 10194 1 14 . 1 1 74 74 ALA H H 74 8.540 8.540 8.382 0.158 18480 10195 1 14 . 1 1 75 75 SER N N 75 112.265 112.265 114.188 -1.923 18480 10196 1 14 . 1 1 75 75 SER HA H 75 3.858 3.858 3.915 -0.057 18480 10197 1 14 . 1 1 75 75 SER CA C 75 62.251 62.251 61.663 0.587 18480 10198 1 14 . 1 1 75 75 SER CB C 75 62.874 62.874 63.312 -0.438 18480 10199 1 14 . 1 1 75 75 SER H H 75 8.859 8.859 8.493 0.366 18480 10200 1 14 . 1 1 76 76 SER N N 76 118.859 118.859 118.536 0.323 18480 10201 1 14 . 1 1 76 76 SER HA H 76 3.964 3.964 4.430 -0.466 18480 10202 1 14 . 1 1 76 76 SER CA C 76 63.066 63.066 61.171 1.895 18480 10203 1 14 . 1 1 76 76 SER CB C 76 63.377 63.377 63.166 0.211 18480 10204 1 14 . 1 1 76 76 SER H H 76 8.065 8.065 7.698 0.367 18480 10205 1 14 . 1 1 77 77 MET N N 77 120.030 120.030 121.181 -1.151 18480 10206 1 14 . 1 1 77 77 MET HA H 77 4.234 4.234 4.189 0.045 18480 10207 1 14 . 1 1 77 77 MET C C 77 178.354 178.354 178.341 0.013 18480 10208 1 14 . 1 1 77 77 MET CA C 77 57.167 57.167 56.913 0.254 18480 10209 1 14 . 1 1 77 77 MET CB C 77 32.728 32.728 30.934 1.794 18480 10210 1 14 . 1 1 77 77 MET H H 77 7.397 7.397 7.774 -0.377 18480 10211 1 14 . 1 1 78 78 ALA N N 78 119.880 119.880 122.177 -2.297 18480 10212 1 14 . 1 1 78 78 ALA HA H 78 3.903 3.903 3.882 0.021 18480 10213 1 14 . 1 1 78 78 ALA C C 78 178.354 178.354 178.714 -0.360 18480 10214 1 14 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.085 0.055 18480 10215 1 14 . 1 1 78 78 ALA CB C 78 19.101 19.101 17.734 1.367 18480 10216 1 14 . 1 1 78 78 ALA H H 78 7.908 7.908 7.680 0.228 18480 10217 1 14 . 1 1 79 79 GLU N N 79 117.907 117.907 119.637 -1.730 18480 10218 1 14 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.775 0.164 18480 10219 1 14 . 1 1 79 79 GLU C C 79 178.894 178.894 179.038 -0.144 18480 10220 1 14 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.207 0.493 18480 10221 1 14 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.544 0.103 18480 10222 1 14 . 1 1 79 79 GLU H H 79 8.576 8.576 7.437 1.139 18480 10223 1 14 . 1 1 80 80 ILE N N 80 121.918 121.918 119.154 2.764 18480 10224 1 14 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.724 -0.122 18480 10225 1 14 . 1 1 80 80 ILE C C 80 179.014 179.014 177.921 1.093 18480 10226 1 14 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.579 0.552 18480 10227 1 14 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.825 -0.200 18480 10228 1 14 . 1 1 80 80 ILE H H 80 8.065 8.065 8.113 -0.048 18480 10229 1 14 . 1 1 81 81 ALA N N 81 120.266 120.266 122.519 -2.253 18480 10230 1 14 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.034 0.114 18480 10231 1 14 . 1 1 81 81 ALA C C 81 177.258 177.258 178.655 -1.397 18480 10232 1 14 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.349 0.791 18480 10233 1 14 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.799 0.357 18480 10234 1 14 . 1 1 81 81 ALA H H 81 8.169 8.169 7.815 0.354 18480 10235 1 14 . 1 1 82 82 ALA N N 82 114.813 114.813 118.339 -3.526 18480 10236 1 14 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.165 -0.114 18480 10237 1 14 . 1 1 82 82 ALA C C 82 177.693 177.693 178.840 -1.147 18480 10238 1 14 . 1 1 82 82 ALA CA C 82 53.767 53.767 53.572 0.195 18480 10239 1 14 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.530 2.469 18480 10240 1 14 . 1 1 82 82 ALA H H 82 8.019 8.019 8.209 -0.190 18480 10241 1 14 . 1 1 83 83 SER N N 83 110.140 110.140 113.949 -3.809 18480 10242 1 14 . 1 1 83 83 SER HA H 83 4.415 4.415 4.334 0.081 18480 10243 1 14 . 1 1 83 83 SER C C 83 174.856 174.856 175.043 -0.187 18480 10244 1 14 . 1 1 83 83 SER CA C 83 59.772 59.772 60.592 -0.820 18480 10245 1 14 . 1 1 83 83 SER CB C 83 64.952 64.952 63.626 1.326 18480 10246 1 14 . 1 1 83 83 SER H H 83 7.823 7.823 7.364 0.459 18480 10247 1 14 . 1 1 84 84 GLU N N 84 120.696 120.696 119.046 1.650 18480 10248 1 14 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.483 0.018 18480 10249 1 14 . 1 1 84 84 GLU C C 84 176.597 176.597 174.335 2.262 18480 10250 1 14 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.538 1.058 18480 10251 1 14 . 1 1 84 84 GLU CB C 84 28.537 28.537 33.065 -4.528 18480 10252 1 14 . 1 1 84 84 GLU H H 84 7.666 7.666 7.597 0.069 18480 10253 1 14 . 1 1 85 85 GLU N N 85 124.951 124.951 119.380 5.571 18480 10254 1 14 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.297 -0.035 18480 10255 1 14 . 1 1 85 85 GLU C C 85 177.258 177.258 175.919 1.339 18480 10256 1 14 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.706 2.139 18480 10257 1 14 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.473 -0.669 18480 10258 1 14 . 1 1 85 85 GLU H H 85 8.735 8.735 8.340 0.395 18480 10259 1 14 . 1 1 86 86 GLY N N 86 110.356 110.356 106.748 3.608 18480 10260 1 14 . 1 1 86 86 GLY C C 86 174.856 174.856 174.469 0.387 18480 10261 1 14 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.238 -0.848 18480 10262 1 14 . 1 1 86 86 GLY H H 86 8.609 8.609 7.810 0.799 18480 10263 1 14 . 1 1 87 87 GLY N N 87 107.569 107.569 111.091 -3.522 18480 10264 1 14 . 1 1 87 87 GLY C C 87 174.436 174.436 173.582 0.854 18480 10265 1 14 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.459 -0.199 18480 10266 1 14 . 1 1 87 87 GLY H H 87 7.931 7.931 7.879 0.052 18480 10267 1 14 . 1 1 88 88 GLY N N 88 109.889 109.889 106.027 3.862 18480 10268 1 14 . 1 1 88 88 GLY C C 88 173.325 173.325 172.459 0.866 18480 10269 1 14 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.962 0.204 18480 10270 1 14 . 1 1 88 88 GLY H H 88 8.650 8.650 7.449 1.201 18480 10271 1 14 . 1 1 89 89 SER N N 89 114.731 114.731 115.354 -0.623 18480 10272 1 14 . 1 1 89 89 SER HA H 89 4.411 4.411 4.795 -0.384 18480 10273 1 14 . 1 1 89 89 SER C C 89 175.066 175.066 175.505 -0.439 18480 10274 1 14 . 1 1 89 89 SER CA C 89 57.363 57.363 57.344 0.019 18480 10275 1 14 . 1 1 89 89 SER CB C 89 62.483 62.483 64.198 -1.716 18480 10276 1 14 . 1 1 89 89 SER H H 89 8.640 8.640 8.048 0.592 18480 10277 1 14 . 1 1 90 90 LEU N N 90 123.210 123.210 124.016 -0.806 18480 10278 1 14 . 1 1 90 90 LEU HA H 90 3.975 3.975 3.976 -0.001 18480 10279 1 14 . 1 1 90 90 LEU C C 90 179.434 179.434 178.548 0.886 18480 10280 1 14 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.480 -0.137 18480 10281 1 14 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.927 -0.563 18480 10282 1 14 . 1 1 90 90 LEU H H 90 8.976 8.976 8.858 0.118 18480 10283 1 14 . 1 1 91 91 SER N N 91 115.789 115.789 113.617 2.172 18480 10284 1 14 . 1 1 91 91 SER HA H 91 4.149 4.149 4.218 -0.069 18480 10285 1 14 . 1 1 91 91 SER C C 91 177.325 177.325 176.167 1.158 18480 10286 1 14 . 1 1 91 91 SER CA C 91 61.794 61.794 61.596 0.198 18480 10287 1 14 . 1 1 91 91 SER CB C 91 62.276 62.276 62.277 -0.001 18480 10288 1 14 . 1 1 91 91 SER H H 91 8.612 8.612 8.382 0.230 18480 10289 1 14 . 1 1 92 92 THR N N 92 122.677 122.677 117.688 4.989 18480 10290 1 14 . 1 1 92 92 THR HA H 92 3.919 3.919 4.091 -0.172 18480 10291 1 14 . 1 1 92 92 THR C C 92 176.162 176.162 176.251 -0.089 18480 10292 1 14 . 1 1 92 92 THR CA C 92 66.719 66.719 65.791 0.928 18480 10293 1 14 . 1 1 92 92 THR CB C 92 68.236 68.236 68.468 -0.232 18480 10294 1 14 . 1 1 92 92 THR H H 92 7.871 7.871 8.015 -0.144 18480 10295 1 14 . 1 1 93 93 LYS N N 93 119.820 119.820 117.051 2.769 18480 10296 1 14 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.444 -0.875 18480 10297 1 14 . 1 1 93 93 LYS CA C 93 60.652 60.652 58.129 2.523 18480 10298 1 14 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.540 2.188 18480 10299 1 14 . 1 1 93 93 LYS H H 93 8.263 8.263 7.882 0.381 18480 10300 1 14 . 1 1 94 94 THR N N 94 113.759 113.759 118.766 -5.007 18480 10301 1 14 . 1 1 94 94 THR HA H 94 3.692 3.692 4.231 -0.539 18480 10302 1 14 . 1 1 94 94 THR C C 94 177.033 177.033 176.231 0.802 18480 10303 1 14 . 1 1 94 94 THR CA C 94 68.122 68.122 66.615 1.507 18480 10304 1 14 . 1 1 94 94 THR CB C 94 68.342 68.342 68.777 -0.435 18480 10305 1 14 . 1 1 94 94 THR H H 94 8.448 8.448 7.587 0.861 18480 10306 1 14 . 1 1 95 95 SER N N 95 117.547 117.547 118.009 -0.462 18480 10307 1 14 . 1 1 95 95 SER HA H 95 4.262 4.262 4.202 0.060 18480 10308 1 14 . 1 1 95 95 SER C C 95 177.828 177.828 176.238 1.590 18480 10309 1 14 . 1 1 95 95 SER CA C 95 61.758 61.758 61.420 0.338 18480 10310 1 14 . 1 1 95 95 SER CB C 95 62.667 62.667 62.591 0.076 18480 10311 1 14 . 1 1 95 95 SER H H 95 8.173 8.173 7.885 0.288 18480 10312 1 14 . 1 1 96 96 SER N N 96 121.366 121.366 117.898 3.468 18480 10313 1 14 . 1 1 96 96 SER HA H 96 4.035 4.035 4.221 -0.186 18480 10314 1 14 . 1 1 96 96 SER CA C 96 62.467 62.467 61.749 0.718 18480 10315 1 14 . 1 1 96 96 SER CB C 96 61.755 61.755 63.157 -1.403 18480 10316 1 14 . 1 1 96 96 SER H H 96 8.830 8.830 7.685 1.145 18480 10317 1 14 . 1 1 97 97 ILE N N 97 121.943 121.943 121.564 0.379 18480 10318 1 14 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.855 -0.046 18480 10319 1 14 . 1 1 97 97 ILE C C 97 177.693 177.693 177.652 0.041 18480 10320 1 14 . 1 1 97 97 ILE CA C 97 66.042 66.042 64.803 1.239 18480 10321 1 14 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.930 -0.394 18480 10322 1 14 . 1 1 97 97 ILE H H 97 8.380 8.380 7.585 0.795 18480 10323 1 14 . 1 1 98 98 ALA N N 98 122.507 122.507 122.408 0.099 18480 10324 1 14 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.046 -0.006 18480 10325 1 14 . 1 1 98 98 ALA C C 98 180.740 180.740 179.740 1.000 18480 10326 1 14 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.574 0.814 18480 10327 1 14 . 1 1 98 98 ALA CB C 98 18.154 18.154 17.945 0.209 18480 10328 1 14 . 1 1 98 98 ALA H H 98 8.624 8.624 7.748 0.876 18480 10329 1 14 . 1 1 99 99 SER N N 99 115.850 115.850 113.476 2.374 18480 10330 1 14 . 1 1 99 99 SER HA H 99 4.325 4.325 4.309 0.016 18480 10331 1 14 . 1 1 99 99 SER C C 99 177.168 177.168 176.398 0.770 18480 10332 1 14 . 1 1 99 99 SER CA C 99 61.867 61.867 60.753 1.114 18480 10333 1 14 . 1 1 99 99 SER CB C 99 63.200 63.200 63.134 0.066 18480 10334 1 14 . 1 1 99 99 SER H H 99 8.667 8.667 8.544 0.123 18480 10335 1 14 . 1 1 100 100 ALA N N 100 124.410 124.410 123.545 0.865 18480 10336 1 14 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.189 -0.047 18480 10337 1 14 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.556 0.833 18480 10338 1 14 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.570 0.057 18480 10339 1 14 . 1 1 100 100 ALA H H 100 8.744 8.744 7.288 1.456 18480 10340 1 14 . 1 1 101 101 MET N N 101 119.346 119.346 119.282 0.064 18480 10341 1 14 . 1 1 101 101 MET HA H 101 4.368 4.368 4.294 0.074 18480 10342 1 14 . 1 1 101 101 MET CA C 101 59.163 59.163 57.658 1.505 18480 10343 1 14 . 1 1 101 101 MET CB C 101 33.233 33.233 32.294 0.939 18480 10344 1 14 . 1 1 101 101 MET H H 101 9.152 9.152 8.785 0.367 18480 10345 1 14 . 1 1 102 102 SER N N 102 117.124 117.124 114.875 2.249 18480 10346 1 14 . 1 1 102 102 SER HA H 102 4.382 4.382 4.377 0.005 18480 10347 1 14 . 1 1 102 102 SER CA C 102 63.424 63.424 61.445 1.979 18480 10348 1 14 . 1 1 102 102 SER CB C 102 62.639 62.639 62.732 -0.093 18480 10349 1 14 . 1 1 102 102 SER H H 102 8.766 8.766 8.405 0.361 18480 10350 1 14 . 1 1 103 103 ASN N N 103 118.601 118.601 121.304 -2.703 18480 10351 1 14 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.491 -0.025 18480 10352 1 14 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.985 0.654 18480 10353 1 14 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.507 -0.200 18480 10354 1 14 . 1 1 103 103 ASN H H 103 8.298 8.298 7.693 0.605 18480 10355 1 14 . 1 1 104 104 ALA N N 104 122.821 122.821 121.075 1.746 18480 10356 1 14 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.007 0.232 18480 10357 1 14 . 1 1 104 104 ALA C C 104 181.701 181.701 179.694 2.007 18480 10358 1 14 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.565 0.708 18480 10359 1 14 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.233 -0.059 18480 10360 1 14 . 1 1 104 104 ALA H H 104 7.969 7.969 7.468 0.501 18480 10361 1 14 . 1 1 105 105 PHE N N 105 119.585 119.585 118.046 1.539 18480 10362 1 14 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.487 -0.279 18480 10363 1 14 . 1 1 105 105 PHE C C 105 179.224 179.224 178.197 1.027 18480 10364 1 14 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.592 2.530 18480 10365 1 14 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.012 0.555 18480 10366 1 14 . 1 1 105 105 PHE H H 105 8.647 8.647 7.956 0.691 18480 10367 1 14 . 1 1 106 106 LEU N N 106 121.925 121.925 115.207 6.718 18480 10368 1 14 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.076 -0.377 18480 10369 1 14 . 1 1 106 106 LEU C C 106 179.074 179.074 178.660 0.414 18480 10370 1 14 . 1 1 106 106 LEU CA C 106 59.055 59.055 56.240 2.815 18480 10371 1 14 . 1 1 106 106 LEU CB C 106 41.462 41.462 40.840 0.622 18480 10372 1 14 . 1 1 106 106 LEU H H 106 8.450 8.450 8.064 0.386 18480 10373 1 14 . 1 1 107 107 GLN N N 107 115.214 115.214 118.478 -3.264 18480 10374 1 14 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.374 -0.272 18480 10375 1 14 . 1 1 107 107 GLN C C 107 176.822 176.822 177.656 -0.834 18480 10376 1 14 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.885 -0.299 18480 10377 1 14 . 1 1 107 107 GLN CB C 107 29.279 29.279 29.231 0.048 18480 10378 1 14 . 1 1 107 107 GLN H H 107 8.444 8.444 7.822 0.622 18480 10379 1 14 . 1 1 108 108 THR N N 108 109.014 109.014 113.121 -4.107 18480 10380 1 14 . 1 1 108 108 THR HA H 108 4.369 4.369 4.252 0.117 18480 10381 1 14 . 1 1 108 108 THR C C 108 175.952 175.952 176.366 -0.414 18480 10382 1 14 . 1 1 108 108 THR CA C 108 63.658 63.658 64.803 -1.145 18480 10383 1 14 . 1 1 108 108 THR CB C 108 70.179 70.179 69.086 1.093 18480 10384 1 14 . 1 1 108 108 THR H H 108 7.631 7.631 8.070 -0.439 18480 10385 1 14 . 1 1 109 109 THR N N 109 110.844 110.844 112.567 -1.723 18480 10386 1 14 . 1 1 109 109 THR HA H 109 4.477 4.477 4.260 0.217 18480 10387 1 14 . 1 1 109 109 THR C C 109 176.162 176.162 175.966 0.196 18480 10388 1 14 . 1 1 109 109 THR CA C 109 61.728 61.728 62.831 -1.103 18480 10389 1 14 . 1 1 109 109 THR CB C 109 70.659 70.659 70.578 0.081 18480 10390 1 14 . 1 1 109 109 THR H H 109 8.623 8.623 7.700 0.923 18480 10391 1 14 . 1 1 110 110 GLY N N 110 109.549 109.549 110.557 -1.008 18480 10392 1 14 . 1 1 110 110 GLY C C 110 172.889 172.889 173.238 -0.349 18480 10393 1 14 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.982 0.561 18480 10394 1 14 . 1 1 110 110 GLY H H 110 8.113 8.113 8.370 -0.257 18480 10395 1 14 . 1 1 111 111 VAL N N 111 118.903 118.903 119.597 -0.694 18480 10396 1 14 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.568 -0.312 18480 10397 1 14 . 1 1 111 111 VAL C C 111 174.421 174.421 173.843 0.578 18480 10398 1 14 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.537 0.224 18480 10399 1 14 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.760 -0.250 18480 10400 1 14 . 1 1 111 111 VAL H H 111 7.724 7.724 7.554 0.170 18480 10401 1 14 . 1 1 112 112 VAL N N 112 124.398 124.398 123.986 0.412 18480 10402 1 14 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.139 -0.906 18480 10403 1 14 . 1 1 112 112 VAL C C 112 174.646 174.646 174.194 0.452 18480 10404 1 14 . 1 1 112 112 VAL CA C 112 63.735 63.735 59.986 3.749 18480 10405 1 14 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.649 -1.843 18480 10406 1 14 . 1 1 112 112 VAL H H 112 8.627 8.627 8.368 0.259 18480 10407 1 14 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.537 0.032 18480 10408 1 14 . 1 1 113 113 ASN CA C 113 51.207 51.207 53.385 -2.178 18480 10409 1 14 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.350 0.031 18480 10410 1 14 . 1 1 114 114 GLN N N 114 125.364 125.364 126.304 -0.940 18480 10411 1 14 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.135 -0.195 18480 10412 1 14 . 1 1 114 114 GLN C C 114 174.811 174.811 175.683 -0.872 18480 10413 1 14 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.052 -1.416 18480 10414 1 14 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.530 -1.438 18480 10415 1 14 . 1 1 114 114 GLN H H 114 8.731 8.731 8.523 0.208 18480 10416 1 14 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.210 0.058 18480 10417 1 14 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.721 0.940 18480 10418 1 14 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.266 -0.069 18480 10419 1 14 . 1 1 116 116 PHE N N 116 118.102 118.102 118.788 -0.686 18480 10420 1 14 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.185 0.076 18480 10421 1 14 . 1 1 116 116 PHE C C 116 176.597 176.597 177.597 -1.000 18480 10422 1 14 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.738 -0.448 18480 10423 1 14 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.154 0.426 18480 10424 1 14 . 1 1 116 116 PHE H H 116 7.712 7.712 7.991 -0.279 18480 10425 1 14 . 1 1 117 117 ILE N N 117 118.950 118.950 118.345 0.605 18480 10426 1 14 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.796 -0.142 18480 10427 1 14 . 1 1 117 117 ILE C C 117 178.789 178.789 178.263 0.526 18480 10428 1 14 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.842 0.798 18480 10429 1 14 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.544 -0.030 18480 10430 1 14 . 1 1 117 117 ILE H H 117 7.747 7.747 7.824 -0.077 18480 10431 1 14 . 1 1 118 118 ASN N N 118 119.204 119.204 118.345 0.859 18480 10432 1 14 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.531 -0.164 18480 10433 1 14 . 1 1 118 118 ASN C C 118 177.033 177.033 178.017 -0.984 18480 10434 1 14 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.299 -0.518 18480 10435 1 14 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.544 -1.058 18480 10436 1 14 . 1 1 118 118 ASN H H 118 8.847 8.847 8.087 0.760 18480 10437 1 14 . 1 1 119 119 GLU N N 119 120.684 120.684 120.556 0.128 18480 10438 1 14 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.169 -0.204 18480 10439 1 14 . 1 1 119 119 GLU C C 119 178.564 178.564 178.751 -0.187 18480 10440 1 14 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.578 0.536 18480 10441 1 14 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.277 -0.759 18480 10442 1 14 . 1 1 119 119 GLU H H 119 8.081 8.081 7.897 0.184 18480 10443 1 14 . 1 1 120 120 ILE N N 120 118.037 118.037 119.764 -1.727 18480 10444 1 14 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.756 -0.184 18480 10445 1 14 . 1 1 120 120 ILE C C 120 178.279 178.279 178.262 0.017 18480 10446 1 14 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.985 -0.887 18480 10447 1 14 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.369 -1.117 18480 10448 1 14 . 1 1 120 120 ILE H H 120 7.948 7.948 7.948 0.000 18480 10449 1 14 . 1 1 121 121 THR N N 121 113.671 113.671 113.519 0.152 18480 10450 1 14 . 1 1 121 121 THR HA H 121 3.804 3.804 4.010 -0.206 18480 10451 1 14 . 1 1 121 121 THR C C 121 177.258 177.258 176.918 0.340 18480 10452 1 14 . 1 1 121 121 THR CA C 121 66.771 66.771 66.638 0.133 18480 10453 1 14 . 1 1 121 121 THR CB C 121 68.293 68.293 68.029 0.264 18480 10454 1 14 . 1 1 121 121 THR H H 121 8.345 8.345 7.883 0.462 18480 10455 1 14 . 1 1 122 122 GLN N N 122 121.849 121.849 121.820 0.029 18480 10456 1 14 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.100 -0.101 18480 10457 1 14 . 1 1 122 122 GLN C C 122 179.014 179.014 178.603 0.411 18480 10458 1 14 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.724 0.042 18480 10459 1 14 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.398 0.033 18480 10460 1 14 . 1 1 122 122 GLN H H 122 7.589 7.589 7.492 0.097 18480 10461 1 14 . 1 1 123 123 LEU N N 123 120.855 120.855 120.831 0.024 18480 10462 1 14 . 1 1 123 123 LEU HA H 123 3.418 3.418 4.090 -0.672 18480 10463 1 14 . 1 1 123 123 LEU C C 123 178.354 178.354 178.903 -0.549 18480 10464 1 14 . 1 1 123 123 LEU CA C 123 57.816 57.816 58.342 -0.526 18480 10465 1 14 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.602 -0.751 18480 10466 1 14 . 1 1 123 123 LEU H H 123 8.081 8.081 8.286 -0.205 18480 10467 1 14 . 1 1 124 124 VAL N N 124 115.864 115.864 118.082 -2.218 18480 10468 1 14 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.605 -0.255 18480 10469 1 14 . 1 1 124 124 VAL C C 124 177.453 177.453 178.608 -1.155 18480 10470 1 14 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.152 1.321 18480 10471 1 14 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.501 0.105 18480 10472 1 14 . 1 1 124 124 VAL H H 124 7.574 7.574 8.059 -0.485 18480 10473 1 14 . 1 1 125 125 SER N N 125 110.334 110.334 114.438 -4.104 18480 10474 1 14 . 1 1 125 125 SER HA H 125 4.054 4.054 4.215 -0.161 18480 10475 1 14 . 1 1 125 125 SER C C 125 175.937 175.937 176.246 -0.309 18480 10476 1 14 . 1 1 125 125 SER CA C 125 61.763 61.763 61.993 -0.230 18480 10477 1 14 . 1 1 125 125 SER CB C 125 62.864 62.864 63.371 -0.507 18480 10478 1 14 . 1 1 125 125 SER H H 125 6.950 6.950 7.562 -0.612 18480 10479 1 14 . 1 1 126 126 MET N N 126 121.750 121.750 119.496 2.254 18480 10480 1 14 . 1 1 126 126 MET HA H 126 3.951 3.951 4.369 -0.418 18480 10481 1 14 . 1 1 126 126 MET C C 126 179.254 179.254 178.075 1.179 18480 10482 1 14 . 1 1 126 126 MET CA C 126 59.246 59.246 58.681 0.565 18480 10483 1 14 . 1 1 126 126 MET CB C 126 33.265 33.265 32.683 0.582 18480 10484 1 14 . 1 1 126 126 MET H H 126 8.113 8.113 8.269 -0.156 18480 10485 1 14 . 1 1 127 127 PHE N N 127 118.909 118.909 118.918 -0.009 18480 10486 1 14 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.243 0.400 18480 10487 1 14 . 1 1 127 127 PHE C C 127 178.128 178.128 177.051 1.077 18480 10488 1 14 . 1 1 127 127 PHE CA C 127 56.759 56.759 61.210 -4.451 18480 10489 1 14 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.862 -0.801 18480 10490 1 14 . 1 1 127 127 PHE H H 127 8.791 8.791 8.794 -0.003 18480 10491 1 14 . 1 1 128 128 ALA N N 128 122.620 122.620 121.678 0.942 18480 10492 1 14 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.181 -0.005 18480 10493 1 14 . 1 1 128 128 ALA C C 128 178.789 178.789 178.538 0.251 18480 10494 1 14 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.418 0.247 18480 10495 1 14 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.487 0.678 18480 10496 1 14 . 1 1 128 128 ALA H H 128 8.235 8.235 7.769 0.466 18480 10497 1 14 . 1 1 129 129 GLN N N 129 116.507 116.507 117.166 -0.659 18480 10498 1 14 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.168 0.057 18480 10499 1 14 . 1 1 129 129 GLN C C 129 177.258 177.258 178.032 -0.774 18480 10500 1 14 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.747 -0.729 18480 10501 1 14 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.607 0.518 18480 10502 1 14 . 1 1 129 129 GLN H H 129 7.715 7.715 7.591 0.124 18480 10503 1 14 . 1 1 130 130 ALA N N 130 122.020 122.020 121.411 0.609 18480 10504 1 14 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.097 0.123 18480 10505 1 14 . 1 1 130 130 ALA C C 130 178.564 178.564 178.600 -0.036 18480 10506 1 14 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.109 0.697 18480 10507 1 14 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.735 0.225 18480 10508 1 14 . 1 1 130 130 ALA H H 130 7.775 7.775 7.288 0.487 18480 10509 1 14 . 1 1 131 131 GLY N N 131 106.006 106.006 107.362 -1.356 18480 10510 1 14 . 1 1 131 131 GLY C C 131 173.970 173.970 174.531 -0.561 18480 10511 1 14 . 1 1 131 131 GLY CA C 131 46.113 46.113 45.954 0.159 18480 10512 1 14 . 1 1 131 131 GLY H H 131 8.110 8.110 7.913 0.197 18480 10513 1 14 . 1 1 132 132 MET N N 132 118.637 118.637 114.254 4.383 18480 10514 1 14 . 1 1 132 132 MET HA H 132 4.401 4.401 4.690 -0.289 18480 10515 1 14 . 1 1 132 132 MET C C 132 175.952 175.952 175.576 0.376 18480 10516 1 14 . 1 1 132 132 MET CA C 132 56.375 56.375 53.772 2.603 18480 10517 1 14 . 1 1 132 132 MET CB C 132 32.939 32.939 31.714 1.225 18480 10518 1 14 . 1 1 132 132 MET H H 132 7.945 7.945 8.085 -0.140 18480 10519 1 14 . 1 1 133 133 ASN N N 133 117.955 117.955 120.176 -2.221 18480 10520 1 14 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.613 0.158 18480 10521 1 14 . 1 1 133 133 ASN C C 133 174.646 174.646 176.126 -1.480 18480 10522 1 14 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.934 -1.446 18480 10523 1 14 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.066 1.310 18480 10524 1 14 . 1 1 133 133 ASN H H 133 8.283 8.283 7.978 0.305 18480 10525 1 14 . 1 1 134 134 ASP N N 134 120.891 120.891 120.672 0.219 18480 10526 1 14 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.534 0.085 18480 10527 1 14 . 1 1 134 134 ASP C C 134 176.162 176.162 175.824 0.338 18480 10528 1 14 . 1 1 134 134 ASP CA C 134 54.401 54.401 54.725 -0.324 18480 10529 1 14 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.179 -0.006 18480 10530 1 14 . 1 1 134 134 ASP H H 134 8.192 8.192 8.435 -0.243 18480 10531 1 14 . 1 1 135 135 VAL N N 135 119.737 119.737 115.703 4.034 18480 10532 1 14 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.756 0.424 18480 10533 1 14 . 1 1 135 135 VAL C C 135 176.162 176.162 175.650 0.512 18480 10534 1 14 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.118 -0.972 18480 10535 1 14 . 1 1 135 135 VAL CB C 135 32.730 32.730 30.369 2.361 18480 10536 1 14 . 1 1 135 135 VAL H H 135 8.056 8.056 7.940 0.116 18480 10537 1 14 . 1 1 136 136 SER N N 136 119.689 119.689 122.376 -2.687 18480 10538 1 14 . 1 1 136 136 SER HA H 136 4.427 4.427 4.405 0.022 18480 10539 1 14 . 1 1 136 136 SER C C 136 173.325 173.325 174.428 -1.103 18480 10540 1 14 . 1 1 136 136 SER CA C 136 58.351 58.351 59.261 -0.910 18480 10541 1 14 . 1 1 136 136 SER CB C 136 64.031 64.031 61.736 2.295 18480 10542 1 14 . 1 1 136 136 SER H H 136 8.355 8.355 8.563 -0.208 18480 10543 1 15 . 1 1 3 3 GLY N N 3 110.996 110.996 108.879 2.117 18480 10544 1 15 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.637 0.839 18480 10545 1 15 . 1 1 3 3 GLY H H 3 8.591 8.591 8.367 0.224 18480 10546 1 15 . 1 1 4 4 ASN N N 4 118.637 118.637 120.116 -1.479 18480 10547 1 15 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.891 -0.163 18480 10548 1 15 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.749 0.421 18480 10549 1 15 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.972 0.091 18480 10550 1 15 . 1 1 4 4 ASN H H 4 8.318 8.318 8.416 -0.098 18480 10551 1 15 . 1 1 5 5 SER N N 5 116.285 116.285 120.818 -4.533 18480 10552 1 15 . 1 1 5 5 SER HA H 5 4.352 4.352 4.463 -0.111 18480 10553 1 15 . 1 1 5 5 SER CA C 5 58.593 58.593 58.644 -0.051 18480 10554 1 15 . 1 1 5 5 SER CB C 5 63.633 63.633 62.621 1.012 18480 10555 1 15 . 1 1 5 5 SER H H 5 8.280 8.280 8.915 -0.635 18480 10556 1 15 . 1 1 6 6 HIS N N 6 119.777 119.777 124.904 -5.127 18480 10557 1 15 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.462 0.276 18480 10558 1 15 . 1 1 6 6 HIS CA C 6 55.344 55.344 57.860 -2.516 18480 10559 1 15 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.537 -1.209 18480 10560 1 15 . 1 1 6 6 HIS H H 6 8.460 8.460 8.479 -0.019 18480 10561 1 15 . 1 1 7 7 THR N N 7 115.111 115.111 110.600 4.511 18480 10562 1 15 . 1 1 7 7 THR HA H 7 4.217 4.217 4.354 -0.137 18480 10563 1 15 . 1 1 7 7 THR C C 7 173.970 173.970 172.642 1.328 18480 10564 1 15 . 1 1 7 7 THR CA C 7 62.118 62.118 61.771 0.347 18480 10565 1 15 . 1 1 7 7 THR CB C 7 69.871 69.871 69.406 0.465 18480 10566 1 15 . 1 1 7 7 THR H H 7 8.202 8.202 8.016 0.186 18480 10567 1 15 . 1 1 8 8 THR N N 8 113.695 113.695 115.302 -1.607 18480 10568 1 15 . 1 1 8 8 THR HA H 8 4.439 4.439 4.422 0.017 18480 10569 1 15 . 1 1 8 8 THR C C 8 172.664 172.664 173.333 -0.669 18480 10570 1 15 . 1 1 8 8 THR CA C 8 58.847 58.847 59.086 -0.239 18480 10571 1 15 . 1 1 8 8 THR CB C 8 62.183 62.183 69.156 -6.973 18480 10572 1 15 . 1 1 8 8 THR H H 8 8.113 8.113 7.701 0.412 18480 10573 1 15 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.266 -0.301 18480 10574 1 15 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.183 -0.747 18480 10575 1 15 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.930 -0.759 18480 10576 1 15 . 1 1 10 10 TRP N N 10 108.872 108.872 111.158 -2.286 18480 10577 1 15 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.059 -0.470 18480 10578 1 15 . 1 1 10 10 TRP C C 10 175.817 175.817 175.991 -0.174 18480 10579 1 15 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.582 0.590 18480 10580 1 15 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.224 -1.249 18480 10581 1 15 . 1 1 10 10 TRP H H 10 6.511 6.511 6.793 -0.282 18480 10582 1 15 . 1 1 11 11 THR N N 11 113.736 113.736 116.353 -2.617 18480 10583 1 15 . 1 1 11 11 THR HA H 11 3.899 3.899 4.158 -0.259 18480 10584 1 15 . 1 1 11 11 THR C C 11 173.970 173.970 173.382 0.588 18480 10585 1 15 . 1 1 11 11 THR CA C 11 65.731 65.731 64.320 1.411 18480 10586 1 15 . 1 1 11 11 THR CB C 11 69.609 69.609 68.886 0.723 18480 10587 1 15 . 1 1 11 11 THR H H 11 7.310 7.310 7.635 -0.325 18480 10588 1 15 . 1 1 12 12 ASN N N 12 112.814 112.814 114.917 -2.103 18480 10589 1 15 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.130 -0.458 18480 10590 1 15 . 1 1 12 12 ASN C C 12 172.889 172.889 173.371 -0.482 18480 10591 1 15 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.794 1.333 18480 10592 1 15 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.999 -0.300 18480 10593 1 15 . 1 1 12 12 ASN H H 12 7.234 7.234 7.379 -0.145 18480 10594 1 15 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.251 -0.169 18480 10595 1 15 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.555 0.087 18480 10596 1 15 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.925 0.128 18480 10597 1 15 . 1 1 14 14 GLY N N 14 107.424 107.424 104.848 2.576 18480 10598 1 15 . 1 1 14 14 GLY C C 14 175.952 175.952 175.528 0.424 18480 10599 1 15 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.477 0.713 18480 10600 1 15 . 1 1 14 14 GLY H H 14 8.288 8.288 8.006 0.282 18480 10601 1 15 . 1 1 15 15 LEU N N 15 122.906 122.906 119.778 3.128 18480 10602 1 15 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.290 -0.260 18480 10603 1 15 . 1 1 15 15 LEU C C 15 178.564 178.564 177.650 0.914 18480 10604 1 15 . 1 1 15 15 LEU CA C 15 57.876 57.876 55.233 2.643 18480 10605 1 15 . 1 1 15 15 LEU CB C 15 42.316 42.316 42.774 -0.458 18480 10606 1 15 . 1 1 15 15 LEU H H 15 7.956 7.956 7.687 0.269 18480 10607 1 15 . 1 1 16 16 ALA N N 16 122.949 122.949 123.109 -0.160 18480 10608 1 15 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.334 -0.229 18480 10609 1 15 . 1 1 16 16 ALA C C 16 179.104 179.104 179.473 -0.369 18480 10610 1 15 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.356 0.624 18480 10611 1 15 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.779 0.356 18480 10612 1 15 . 1 1 16 16 ALA H H 16 7.598 7.598 7.935 -0.337 18480 10613 1 15 . 1 1 17 17 GLU N N 17 116.632 116.632 116.984 -0.352 18480 10614 1 15 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.023 -0.203 18480 10615 1 15 . 1 1 17 17 GLU C C 17 177.993 177.993 178.191 -0.198 18480 10616 1 15 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.424 0.625 18480 10617 1 15 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.004 -0.283 18480 10618 1 15 . 1 1 17 17 GLU H H 17 8.097 8.097 8.409 -0.312 18480 10619 1 15 . 1 1 18 18 ASN N N 18 117.645 117.645 119.039 -1.394 18480 10620 1 15 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.370 0.057 18480 10621 1 15 . 1 1 18 18 ASN C C 18 178.347 178.347 177.088 1.259 18480 10622 1 15 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.274 -0.180 18480 10623 1 15 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.235 -0.111 18480 10624 1 15 . 1 1 18 18 ASN H H 18 8.196 8.196 7.859 0.337 18480 10625 1 15 . 1 1 19 19 PHE N N 19 123.188 123.188 118.390 4.798 18480 10626 1 15 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.173 -0.222 18480 10627 1 15 . 1 1 19 19 PHE C C 19 176.837 176.837 178.789 -1.952 18480 10628 1 15 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.523 0.374 18480 10629 1 15 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.426 1.303 18480 10630 1 15 . 1 1 19 19 PHE H H 19 8.868 8.868 7.556 1.312 18480 10631 1 15 . 1 1 20 20 MET N N 20 118.140 118.140 117.287 0.853 18480 10632 1 15 . 1 1 20 20 MET HA H 20 3.303 3.303 3.817 -0.514 18480 10633 1 15 . 1 1 20 20 MET C C 20 178.924 178.924 178.120 0.804 18480 10634 1 15 . 1 1 20 20 MET CA C 20 60.043 60.043 57.056 2.987 18480 10635 1 15 . 1 1 20 20 MET CB C 20 33.527 33.527 30.747 2.780 18480 10636 1 15 . 1 1 20 20 MET H H 20 7.644 7.644 7.586 0.058 18480 10637 1 15 . 1 1 21 21 ASN N N 21 116.213 116.213 119.353 -3.140 18480 10638 1 15 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.415 0.038 18480 10639 1 15 . 1 1 21 21 ASN C C 21 178.249 178.249 178.000 0.249 18480 10640 1 15 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.499 -0.550 18480 10641 1 15 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.362 -0.265 18480 10642 1 15 . 1 1 21 21 ASN H H 21 8.169 8.169 7.854 0.315 18480 10643 1 15 . 1 1 22 22 SER N N 22 117.086 117.086 115.191 1.895 18480 10644 1 15 . 1 1 22 22 SER HA H 22 4.152 4.152 4.249 -0.097 18480 10645 1 15 . 1 1 22 22 SER C C 22 178.143 178.143 175.625 2.518 18480 10646 1 15 . 1 1 22 22 SER CA C 22 62.154 62.154 60.752 1.402 18480 10647 1 15 . 1 1 22 22 SER CB C 22 62.709 62.709 62.903 -0.194 18480 10648 1 15 . 1 1 22 22 SER H H 22 8.650 8.650 8.312 0.338 18480 10649 1 15 . 1 1 23 23 PHE N N 23 124.044 124.044 122.940 1.104 18480 10650 1 15 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.618 -0.750 18480 10651 1 15 . 1 1 23 23 PHE C C 23 175.652 175.652 176.994 -1.342 18480 10652 1 15 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.318 1.800 18480 10653 1 15 . 1 1 23 23 PHE CB C 23 38.250 38.250 40.213 -1.963 18480 10654 1 15 . 1 1 23 23 PHE H H 23 8.394 8.394 7.718 0.676 18480 10655 1 15 . 1 1 24 24 MET N N 24 117.794 117.794 117.840 -0.046 18480 10656 1 15 . 1 1 24 24 MET HA H 24 4.177 4.177 3.911 0.266 18480 10657 1 15 . 1 1 24 24 MET C C 24 179.797 179.797 178.562 1.235 18480 10658 1 15 . 1 1 24 24 MET CA C 24 56.498 56.498 56.914 -0.416 18480 10659 1 15 . 1 1 24 24 MET CB C 24 31.903 31.903 31.329 0.574 18480 10660 1 15 . 1 1 24 24 MET H H 24 7.781 7.781 8.446 -0.665 18480 10661 1 15 . 1 1 25 25 GLN N N 25 119.477 119.477 118.511 0.966 18480 10662 1 15 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.085 -0.121 18480 10663 1 15 . 1 1 25 25 GLN C C 25 179.870 179.870 177.864 2.006 18480 10664 1 15 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.423 0.325 18480 10665 1 15 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.035 0.349 18480 10666 1 15 . 1 1 25 25 GLN H H 25 8.233 8.233 7.932 0.301 18480 10667 1 15 . 1 1 26 26 GLY N N 26 107.052 107.052 106.942 0.110 18480 10668 1 15 . 1 1 26 26 GLY C C 26 176.387 176.387 175.569 0.818 18480 10669 1 15 . 1 1 26 26 GLY CA C 26 46.673 46.673 44.925 1.748 18480 10670 1 15 . 1 1 26 26 GLY H H 26 7.936 7.936 7.684 0.252 18480 10671 1 15 . 1 1 27 27 LEU N N 27 122.471 122.471 123.330 -0.859 18480 10672 1 15 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.984 -0.266 18480 10673 1 15 . 1 1 27 27 LEU C C 27 178.564 178.564 178.168 0.396 18480 10674 1 15 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.236 0.957 18480 10675 1 15 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.524 0.169 18480 10676 1 15 . 1 1 27 27 LEU H H 27 8.157 8.157 8.098 0.059 18480 10677 1 15 . 1 1 28 28 SER N N 28 109.215 109.215 114.164 -4.949 18480 10678 1 15 . 1 1 28 28 SER HA H 28 4.064 4.064 4.314 -0.250 18480 10679 1 15 . 1 1 28 28 SER C C 28 174.421 174.421 174.986 -0.565 18480 10680 1 15 . 1 1 28 28 SER CA C 28 61.444 61.444 59.921 1.523 18480 10681 1 15 . 1 1 28 28 SER CB C 28 63.210 63.210 62.387 0.823 18480 10682 1 15 . 1 1 28 28 SER H H 28 7.469 7.469 7.868 -0.399 18480 10683 1 15 . 1 1 29 29 SER N N 29 114.308 114.308 114.761 -0.453 18480 10684 1 15 . 1 1 29 29 SER HA H 29 4.667 4.667 4.540 0.127 18480 10685 1 15 . 1 1 29 29 SER C C 29 173.970 173.970 173.473 0.497 18480 10686 1 15 . 1 1 29 29 SER CA C 29 57.914 57.914 57.744 0.170 18480 10687 1 15 . 1 1 29 29 SER CB C 29 64.359 64.359 63.575 0.784 18480 10688 1 15 . 1 1 29 29 SER H H 29 7.383 7.383 7.692 -0.309 18480 10689 1 15 . 1 1 30 30 MET N N 30 122.604 122.604 122.230 0.374 18480 10690 1 15 . 1 1 30 30 MET HA H 30 4.882 4.882 4.963 -0.081 18480 10691 1 15 . 1 1 30 30 MET C C 30 174.195 174.195 175.282 -1.087 18480 10692 1 15 . 1 1 30 30 MET CA C 30 53.753 53.753 51.798 1.955 18480 10693 1 15 . 1 1 30 30 MET CB C 30 32.013 32.013 31.783 0.230 18480 10694 1 15 . 1 1 30 30 MET H H 30 7.804 7.804 7.605 0.199 18480 10695 1 15 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.568 0.098 18480 10696 1 15 . 1 1 31 31 PRO CA C 31 63.697 63.697 63.871 -0.174 18480 10697 1 15 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.164 0.789 18480 10698 1 15 . 1 1 32 32 GLY N N 32 104.648 104.648 105.583 -0.935 18480 10699 1 15 . 1 1 32 32 GLY C C 32 172.454 172.454 174.093 -1.639 18480 10700 1 15 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.299 0.122 18480 10701 1 15 . 1 1 32 32 GLY H H 32 8.363 8.363 8.605 -0.242 18480 10702 1 15 . 1 1 33 33 PHE N N 33 116.917 116.917 119.291 -2.374 18480 10703 1 15 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.854 0.433 18480 10704 1 15 . 1 1 33 33 PHE C C 33 176.387 176.387 174.422 1.965 18480 10705 1 15 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.276 -0.374 18480 10706 1 15 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.348 -0.058 18480 10707 1 15 . 1 1 33 33 PHE H H 33 8.118 8.118 7.446 0.672 18480 10708 1 15 . 1 1 34 34 THR N N 34 113.457 113.457 112.803 0.654 18480 10709 1 15 . 1 1 34 34 THR HA H 34 4.494 4.494 4.696 -0.202 18480 10710 1 15 . 1 1 34 34 THR C C 34 175.066 175.066 175.359 -0.293 18480 10711 1 15 . 1 1 34 34 THR CA C 34 59.946 59.946 59.194 0.752 18480 10712 1 15 . 1 1 34 34 THR CB C 34 70.967 70.967 71.987 -1.020 18480 10713 1 15 . 1 1 34 34 THR H H 34 8.727 8.727 8.127 0.600 18480 10714 1 15 . 1 1 35 35 ALA N N 35 122.737 122.737 125.168 -2.431 18480 10715 1 15 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.045 0.040 18480 10716 1 15 . 1 1 35 35 ALA C C 35 180.755 180.755 179.793 0.962 18480 10717 1 15 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.098 0.425 18480 10718 1 15 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.155 -0.085 18480 10719 1 15 . 1 1 35 35 ALA H H 35 8.913 8.913 8.680 0.233 18480 10720 1 15 . 1 1 36 36 SER N N 36 113.331 113.331 114.200 -0.869 18480 10721 1 15 . 1 1 36 36 SER HA H 36 4.244 4.244 4.156 0.088 18480 10722 1 15 . 1 1 36 36 SER C C 36 177.033 177.033 177.135 -0.102 18480 10723 1 15 . 1 1 36 36 SER CA C 36 61.453 61.453 61.485 -0.032 18480 10724 1 15 . 1 1 36 36 SER CB C 36 62.529 62.529 62.853 -0.324 18480 10725 1 15 . 1 1 36 36 SER H H 36 8.347 8.347 8.347 0.000 18480 10726 1 15 . 1 1 37 37 GLN N N 37 122.548 122.548 120.215 2.333 18480 10727 1 15 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.238 -0.179 18480 10728 1 15 . 1 1 37 37 GLN C C 37 179.149 179.149 178.172 0.977 18480 10729 1 15 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.397 1.570 18480 10730 1 15 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.505 -0.484 18480 10731 1 15 . 1 1 37 37 GLN H H 37 7.500 7.500 7.686 -0.186 18480 10732 1 15 . 1 1 38 38 LEU N N 38 117.948 117.948 120.716 -2.768 18480 10733 1 15 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.879 0.013 18480 10734 1 15 . 1 1 38 38 LEU C C 38 179.675 179.675 179.192 0.483 18480 10735 1 15 . 1 1 38 38 LEU CA C 38 57.959 57.959 58.306 -0.347 18480 10736 1 15 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.454 0.039 18480 10737 1 15 . 1 1 38 38 LEU H H 38 8.217 8.217 8.526 -0.309 18480 10738 1 15 . 1 1 39 39 ASP N N 39 120.923 120.923 119.077 1.846 18480 10739 1 15 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.330 0.081 18480 10740 1 15 . 1 1 39 39 ASP C C 39 179.224 179.224 178.260 0.964 18480 10741 1 15 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.926 -0.320 18480 10742 1 15 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.846 0.982 18480 10743 1 15 . 1 1 39 39 ASP H H 39 8.192 8.192 7.859 0.333 18480 10744 1 15 . 1 1 40 40 ASP N N 40 123.608 123.608 120.429 3.179 18480 10745 1 15 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.372 -0.155 18480 10746 1 15 . 1 1 40 40 ASP C C 40 179.600 179.600 178.494 1.106 18480 10747 1 15 . 1 1 40 40 ASP CA C 40 58.640 58.640 57.265 1.375 18480 10748 1 15 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.215 -1.903 18480 10749 1 15 . 1 1 40 40 ASP H H 40 8.366 8.366 7.620 0.746 18480 10750 1 15 . 1 1 41 41 MET N N 41 118.772 118.772 116.315 2.457 18480 10751 1 15 . 1 1 41 41 MET HA H 41 3.638 3.638 4.439 -0.801 18480 10752 1 15 . 1 1 41 41 MET C C 41 177.693 177.693 178.244 -0.551 18480 10753 1 15 . 1 1 41 41 MET CA C 41 60.513 60.513 58.889 1.624 18480 10754 1 15 . 1 1 41 41 MET CB C 41 34.320 34.320 32.592 1.728 18480 10755 1 15 . 1 1 41 41 MET H H 41 8.423 8.423 8.361 0.062 18480 10756 1 15 . 1 1 42 42 SER N N 42 115.040 115.040 116.924 -1.884 18480 10757 1 15 . 1 1 42 42 SER HA H 42 4.168 4.168 4.251 -0.083 18480 10758 1 15 . 1 1 42 42 SER C C 42 177.483 177.483 176.673 0.810 18480 10759 1 15 . 1 1 42 42 SER CA C 42 61.923 61.923 61.749 0.174 18480 10760 1 15 . 1 1 42 42 SER CB C 42 63.084 63.084 62.982 0.102 18480 10761 1 15 . 1 1 42 42 SER H H 42 8.901 8.901 8.390 0.511 18480 10762 1 15 . 1 1 43 43 THR N N 43 118.747 118.747 118.825 -0.078 18480 10763 1 15 . 1 1 43 43 THR HA H 43 3.914 3.914 4.079 -0.165 18480 10764 1 15 . 1 1 43 43 THR C C 43 177.258 177.258 176.523 0.735 18480 10765 1 15 . 1 1 43 43 THR CA C 43 67.017 67.017 67.266 -0.249 18480 10766 1 15 . 1 1 43 43 THR CB C 43 69.500 69.500 68.556 0.944 18480 10767 1 15 . 1 1 43 43 THR H H 43 8.479 8.479 8.005 0.474 18480 10768 1 15 . 1 1 44 44 ILE N N 44 121.898 121.898 121.205 0.693 18480 10769 1 15 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.719 -0.016 18480 10770 1 15 . 1 1 44 44 ILE C C 44 178.564 178.564 177.497 1.067 18480 10771 1 15 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.104 -1.040 18480 10772 1 15 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.476 -1.267 18480 10773 1 15 . 1 1 44 44 ILE H H 44 7.807 7.807 7.506 0.301 18480 10774 1 15 . 1 1 45 45 ALA N N 45 124.002 124.002 123.300 0.702 18480 10775 1 15 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.986 0.056 18480 10776 1 15 . 1 1 45 45 ALA C C 45 179.404 179.404 179.721 -0.317 18480 10777 1 15 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.519 1.022 18480 10778 1 15 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.158 0.300 18480 10779 1 15 . 1 1 45 45 ALA H H 45 9.145 9.145 8.519 0.626 18480 10780 1 15 . 1 1 46 46 GLN N N 46 115.753 115.753 117.104 -1.351 18480 10781 1 15 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.015 0.008 18480 10782 1 15 . 1 1 46 46 GLN C C 46 179.014 179.014 178.690 0.324 18480 10783 1 15 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.729 0.224 18480 10784 1 15 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.640 -0.240 18480 10785 1 15 . 1 1 46 46 GLN H H 46 8.459 8.459 8.249 0.210 18480 10786 1 15 . 1 1 47 47 SER N N 47 116.041 116.041 115.711 0.330 18480 10787 1 15 . 1 1 47 47 SER HA H 47 4.258 4.258 4.118 0.140 18480 10788 1 15 . 1 1 47 47 SER C C 47 177.483 177.483 176.519 0.964 18480 10789 1 15 . 1 1 47 47 SER CA C 47 62.328 62.328 61.910 0.418 18480 10790 1 15 . 1 1 47 47 SER CB C 47 63.154 63.154 63.062 0.092 18480 10791 1 15 . 1 1 47 47 SER H H 47 7.961 7.961 8.095 -0.134 18480 10792 1 15 . 1 1 48 48 MET N N 48 122.349 122.349 120.471 1.878 18480 10793 1 15 . 1 1 48 48 MET HA H 48 4.376 4.376 4.253 0.123 18480 10794 1 15 . 1 1 48 48 MET C C 48 177.798 177.798 178.461 -0.663 18480 10795 1 15 . 1 1 48 48 MET CA C 48 58.198 58.198 57.982 0.216 18480 10796 1 15 . 1 1 48 48 MET CB C 48 32.102 32.102 32.072 0.030 18480 10797 1 15 . 1 1 48 48 MET H H 48 8.508 8.508 8.573 -0.065 18480 10798 1 15 . 1 1 49 49 VAL N N 49 122.061 122.061 116.351 5.710 18480 10799 1 15 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.561 -0.119 18480 10800 1 15 . 1 1 49 49 VAL C C 49 177.910 177.910 177.858 0.052 18480 10801 1 15 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.357 1.566 18480 10802 1 15 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.093 0.666 18480 10803 1 15 . 1 1 49 49 VAL H H 49 8.541 8.541 7.691 0.850 18480 10804 1 15 . 1 1 50 50 GLN N N 50 118.465 118.465 119.423 -0.958 18480 10805 1 15 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.050 0.008 18480 10806 1 15 . 1 1 50 50 GLN C C 50 179.449 179.449 178.634 0.815 18480 10807 1 15 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.833 0.193 18480 10808 1 15 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.454 -0.447 18480 10809 1 15 . 1 1 50 50 GLN H H 50 8.165 8.165 8.532 -0.367 18480 10810 1 15 . 1 1 51 51 SER N N 51 117.659 117.659 117.043 0.616 18480 10811 1 15 . 1 1 51 51 SER HA H 51 3.854 3.854 4.180 -0.326 18480 10812 1 15 . 1 1 51 51 SER C C 51 176.374 176.374 176.631 -0.257 18480 10813 1 15 . 1 1 51 51 SER CA C 51 62.642 62.642 61.773 0.869 18480 10814 1 15 . 1 1 51 51 SER CB C 51 63.039 63.039 62.909 0.130 18480 10815 1 15 . 1 1 51 51 SER H H 51 8.199 8.199 8.122 0.077 18480 10816 1 15 . 1 1 52 52 ILE N N 52 122.930 122.930 122.452 0.478 18480 10817 1 15 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.603 -0.223 18480 10818 1 15 . 1 1 52 52 ILE C C 52 178.684 178.684 177.851 0.833 18480 10819 1 15 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.208 1.107 18480 10820 1 15 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.728 -0.180 18480 10821 1 15 . 1 1 52 52 ILE H H 52 8.068 8.068 8.214 -0.146 18480 10822 1 15 . 1 1 53 53 GLN N N 53 118.774 118.774 119.027 -0.253 18480 10823 1 15 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.946 -0.033 18480 10824 1 15 . 1 1 53 53 GLN C C 53 179.014 179.014 178.775 0.239 18480 10825 1 15 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.288 -0.121 18480 10826 1 15 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.445 -0.428 18480 10827 1 15 . 1 1 53 53 GLN H H 53 8.459 8.459 8.115 0.344 18480 10828 1 15 . 1 1 54 54 SER N N 54 115.452 115.452 117.203 -1.751 18480 10829 1 15 . 1 1 54 54 SER HA H 54 4.294 4.294 4.200 0.094 18480 10830 1 15 . 1 1 54 54 SER C C 54 176.822 176.822 176.605 0.217 18480 10831 1 15 . 1 1 54 54 SER CA C 54 61.276 61.276 62.410 -1.133 18480 10832 1 15 . 1 1 54 54 SER CB C 54 62.873 62.873 62.894 -0.021 18480 10833 1 15 . 1 1 54 54 SER H H 54 8.330 8.330 8.070 0.260 18480 10834 1 15 . 1 1 55 55 LEU N N 55 121.066 121.066 121.540 -0.474 18480 10835 1 15 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.004 -0.023 18480 10836 1 15 . 1 1 55 55 LEU C C 55 179.434 179.434 178.542 0.892 18480 10837 1 15 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.790 0.186 18480 10838 1 15 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.383 1.223 18480 10839 1 15 . 1 1 55 55 LEU H H 55 8.211 8.211 8.447 -0.236 18480 10840 1 15 . 1 1 56 56 ALA N N 56 122.497 122.497 122.217 0.280 18480 10841 1 15 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.058 0.091 18480 10842 1 15 . 1 1 56 56 ALA C C 56 180.530 180.530 180.009 0.521 18480 10843 1 15 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.775 0.294 18480 10844 1 15 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.002 -0.040 18480 10845 1 15 . 1 1 56 56 ALA H H 56 8.902 8.902 8.317 0.585 18480 10846 1 15 . 1 1 57 57 ALA N N 57 122.922 122.922 121.360 1.562 18480 10847 1 15 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.101 0.056 18480 10848 1 15 . 1 1 57 57 ALA C C 57 179.344 179.344 179.316 0.028 18480 10849 1 15 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.382 0.616 18480 10850 1 15 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.582 -0.553 18480 10851 1 15 . 1 1 57 57 ALA H H 57 8.140 8.140 7.825 0.315 18480 10852 1 15 . 1 1 58 58 GLN N N 58 113.359 113.359 115.472 -2.113 18480 10853 1 15 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.321 0.041 18480 10854 1 15 . 1 1 58 58 GLN C C 58 176.612 176.612 176.158 0.454 18480 10855 1 15 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.434 0.164 18480 10856 1 15 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.300 1.775 18480 10857 1 15 . 1 1 58 58 GLN H H 58 7.415 7.415 7.658 -0.243 18480 10858 1 15 . 1 1 59 59 GLY N N 59 109.012 109.012 106.865 2.147 18480 10859 1 15 . 1 1 59 59 GLY C C 59 174.856 174.856 175.126 -0.270 18480 10860 1 15 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.647 1.114 18480 10861 1 15 . 1 1 59 59 GLY H H 59 7.979 7.979 7.523 0.456 18480 10862 1 15 . 1 1 60 60 ARG N N 60 115.906 115.906 116.927 -1.021 18480 10863 1 15 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.500 0.102 18480 10864 1 15 . 1 1 60 60 ARG C C 60 175.847 175.847 176.260 -0.413 18480 10865 1 15 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.159 1.649 18480 10866 1 15 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.375 2.031 18480 10867 1 15 . 1 1 60 60 ARG H H 60 8.126 8.126 8.380 -0.254 18480 10868 1 15 . 1 1 61 61 THR N N 61 107.985 107.985 114.974 -6.989 18480 10869 1 15 . 1 1 61 61 THR HA H 61 4.125 4.125 4.278 -0.153 18480 10870 1 15 . 1 1 61 61 THR C C 61 173.654 173.654 174.118 -0.464 18480 10871 1 15 . 1 1 61 61 THR CA C 61 62.194 62.194 63.298 -1.104 18480 10872 1 15 . 1 1 61 61 THR CB C 61 69.512 69.512 68.890 0.622 18480 10873 1 15 . 1 1 61 61 THR H H 61 7.663 7.663 7.784 -0.121 18480 10874 1 15 . 1 1 62 62 SER N N 62 113.733 113.733 121.118 -7.385 18480 10875 1 15 . 1 1 62 62 SER HA H 62 4.973 4.973 4.857 0.116 18480 10876 1 15 . 1 1 62 62 SER C C 62 173.207 173.207 173.561 -0.354 18480 10877 1 15 . 1 1 62 62 SER CA C 62 56.343 56.343 55.937 0.406 18480 10878 1 15 . 1 1 62 62 SER CB C 62 63.992 63.992 65.516 -1.524 18480 10879 1 15 . 1 1 62 62 SER H H 62 7.057 7.057 7.712 -0.655 18480 10880 1 15 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.414 0.288 18480 10881 1 15 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.901 0.399 18480 10882 1 15 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.117 0.119 18480 10883 1 15 . 1 1 64 64 ASN N N 64 114.886 114.886 116.069 -1.183 18480 10884 1 15 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.481 -0.079 18480 10885 1 15 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.292 -0.041 18480 10886 1 15 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.516 0.521 18480 10887 1 15 . 1 1 64 64 ASN H H 64 8.642 8.642 8.844 -0.202 18480 10888 1 15 . 1 1 65 65 LYS N N 65 119.774 119.774 121.125 -1.351 18480 10889 1 15 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.085 -0.279 18480 10890 1 15 . 1 1 65 65 LYS C C 65 178.999 178.999 179.157 -0.158 18480 10891 1 15 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.201 1.677 18480 10892 1 15 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.297 0.940 18480 10893 1 15 . 1 1 65 65 LYS H H 65 7.882 7.882 7.549 0.333 18480 10894 1 15 . 1 1 66 66 LEU N N 66 117.686 117.686 119.702 -2.016 18480 10895 1 15 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.987 0.035 18480 10896 1 15 . 1 1 66 66 LEU C C 66 178.928 178.928 178.907 0.021 18480 10897 1 15 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.451 0.466 18480 10898 1 15 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.818 -0.285 18480 10899 1 15 . 1 1 66 66 LEU H H 66 8.666 8.666 8.121 0.545 18480 10900 1 15 . 1 1 67 67 GLN N N 67 124.469 124.469 119.565 4.904 18480 10901 1 15 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.630 -0.338 18480 10902 1 15 . 1 1 67 67 GLN C C 67 178.789 178.789 178.850 -0.061 18480 10903 1 15 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.405 1.486 18480 10904 1 15 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.390 -0.231 18480 10905 1 15 . 1 1 67 67 GLN H H 67 8.997 8.997 8.329 0.668 18480 10906 1 15 . 1 1 68 68 ALA N N 68 121.986 121.986 122.752 -0.766 18480 10907 1 15 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.038 -0.228 18480 10908 1 15 . 1 1 68 68 ALA C C 68 180.320 180.320 179.183 1.137 18480 10909 1 15 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.810 0.693 18480 10910 1 15 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.212 -0.000 18480 10911 1 15 . 1 1 68 68 ALA H H 68 7.427 7.427 8.280 -0.853 18480 10912 1 15 . 1 1 69 69 LEU N N 69 118.881 118.881 115.753 3.128 18480 10913 1 15 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.125 -0.073 18480 10914 1 15 . 1 1 69 69 LEU C C 69 178.864 178.864 178.415 0.449 18480 10915 1 15 . 1 1 69 69 LEU CA C 69 57.747 57.747 56.155 1.592 18480 10916 1 15 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.110 0.784 18480 10917 1 15 . 1 1 69 69 LEU H H 69 8.143 8.143 7.583 0.560 18480 10918 1 15 . 1 1 70 70 ASN N N 70 119.848 119.848 118.755 1.093 18480 10919 1 15 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.501 -0.110 18480 10920 1 15 . 1 1 70 70 ASN C C 70 177.483 177.483 176.972 0.511 18480 10921 1 15 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.929 1.855 18480 10922 1 15 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.764 0.709 18480 10923 1 15 . 1 1 70 70 ASN H H 70 8.456 8.456 7.902 0.554 18480 10924 1 15 . 1 1 71 71 MET N N 71 118.843 118.843 119.113 -0.270 18480 10925 1 15 . 1 1 71 71 MET HA H 71 4.769 4.769 4.440 0.329 18480 10926 1 15 . 1 1 71 71 MET C C 71 178.279 178.279 178.443 -0.164 18480 10927 1 15 . 1 1 71 71 MET CA C 71 56.415 56.415 56.616 -0.201 18480 10928 1 15 . 1 1 71 71 MET CB C 71 29.788 29.788 31.580 -1.792 18480 10929 1 15 . 1 1 71 71 MET H H 71 7.757 7.757 7.663 0.094 18480 10930 1 15 . 1 1 72 72 ALA N N 72 126.265 126.265 123.021 3.244 18480 10931 1 15 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.059 0.183 18480 10932 1 15 . 1 1 72 72 ALA C C 72 179.059 179.059 179.043 0.016 18480 10933 1 15 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.362 -0.236 18480 10934 1 15 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.786 1.137 18480 10935 1 15 . 1 1 72 72 ALA H H 72 8.559 8.559 8.574 -0.015 18480 10936 1 15 . 1 1 73 73 PHE N N 73 118.887 118.887 120.092 -1.205 18480 10937 1 15 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.331 -0.268 18480 10938 1 15 . 1 1 73 73 PHE C C 73 177.258 177.258 177.141 0.117 18480 10939 1 15 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.426 0.646 18480 10940 1 15 . 1 1 73 73 PHE CB C 73 39.305 39.305 38.936 0.369 18480 10941 1 15 . 1 1 73 73 PHE H H 73 8.337 8.337 7.523 0.814 18480 10942 1 15 . 1 1 74 74 ALA N N 74 122.360 122.360 121.515 0.845 18480 10943 1 15 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.646 -0.415 18480 10944 1 15 . 1 1 74 74 ALA C C 74 179.374 179.374 179.558 -0.184 18480 10945 1 15 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.029 0.787 18480 10946 1 15 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.116 0.765 18480 10947 1 15 . 1 1 74 74 ALA H H 74 8.540 8.540 8.214 0.326 18480 10948 1 15 . 1 1 75 75 SER N N 75 112.265 112.265 114.124 -1.859 18480 10949 1 15 . 1 1 75 75 SER HA H 75 3.858 3.858 4.197 -0.339 18480 10950 1 15 . 1 1 75 75 SER CA C 75 62.251 62.251 62.572 -0.321 18480 10951 1 15 . 1 1 75 75 SER CB C 75 62.874 62.874 63.253 -0.379 18480 10952 1 15 . 1 1 75 75 SER H H 75 8.859 8.859 8.454 0.405 18480 10953 1 15 . 1 1 76 76 SER N N 76 118.859 118.859 118.787 0.072 18480 10954 1 15 . 1 1 76 76 SER HA H 76 3.964 3.964 4.266 -0.302 18480 10955 1 15 . 1 1 76 76 SER CA C 76 63.066 63.066 61.068 1.998 18480 10956 1 15 . 1 1 76 76 SER CB C 76 63.377 63.377 63.087 0.290 18480 10957 1 15 . 1 1 76 76 SER H H 76 8.065 8.065 7.560 0.505 18480 10958 1 15 . 1 1 77 77 MET N N 77 120.030 120.030 121.612 -1.582 18480 10959 1 15 . 1 1 77 77 MET HA H 77 4.234 4.234 4.107 0.127 18480 10960 1 15 . 1 1 77 77 MET C C 77 178.354 178.354 178.526 -0.172 18480 10961 1 15 . 1 1 77 77 MET CA C 77 57.167 57.167 56.480 0.687 18480 10962 1 15 . 1 1 77 77 MET CB C 77 32.728 32.728 30.643 2.085 18480 10963 1 15 . 1 1 77 77 MET H H 77 7.397 7.397 8.084 -0.687 18480 10964 1 15 . 1 1 78 78 ALA N N 78 119.880 119.880 122.044 -2.164 18480 10965 1 15 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.073 -0.170 18480 10966 1 15 . 1 1 78 78 ALA C C 78 178.354 178.354 179.016 -0.662 18480 10967 1 15 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.401 -0.261 18480 10968 1 15 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.119 0.982 18480 10969 1 15 . 1 1 78 78 ALA H H 78 7.908 7.908 7.775 0.133 18480 10970 1 15 . 1 1 79 79 GLU N N 79 117.907 117.907 120.200 -2.293 18480 10971 1 15 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.821 0.118 18480 10972 1 15 . 1 1 79 79 GLU C C 79 178.894 178.894 178.918 -0.024 18480 10973 1 15 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.430 0.270 18480 10974 1 15 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.411 0.236 18480 10975 1 15 . 1 1 79 79 GLU H H 79 8.576 8.576 7.649 0.927 18480 10976 1 15 . 1 1 80 80 ILE N N 80 121.918 121.918 119.415 2.503 18480 10977 1 15 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.681 -0.079 18480 10978 1 15 . 1 1 80 80 ILE C C 80 179.014 179.014 178.297 0.717 18480 10979 1 15 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.718 0.413 18480 10980 1 15 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.716 -0.091 18480 10981 1 15 . 1 1 80 80 ILE H H 80 8.065 8.065 8.335 -0.270 18480 10982 1 15 . 1 1 81 81 ALA N N 81 120.266 120.266 122.431 -2.165 18480 10983 1 15 . 1 1 81 81 ALA HA H 81 4.148 4.148 3.934 0.214 18480 10984 1 15 . 1 1 81 81 ALA C C 81 177.258 177.258 179.204 -1.946 18480 10985 1 15 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.997 0.143 18480 10986 1 15 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.273 0.881 18480 10987 1 15 . 1 1 81 81 ALA H H 81 8.169 8.169 7.964 0.205 18480 10988 1 15 . 1 1 82 82 ALA N N 82 114.813 114.813 121.945 -7.132 18480 10989 1 15 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.866 0.185 18480 10990 1 15 . 1 1 82 82 ALA C C 82 177.693 177.693 179.973 -2.280 18480 10991 1 15 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.061 -1.294 18480 10992 1 15 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.533 2.466 18480 10993 1 15 . 1 1 82 82 ALA H H 82 8.019 8.019 8.574 -0.555 18480 10994 1 15 . 1 1 83 83 SER N N 83 110.140 110.140 112.683 -2.543 18480 10995 1 15 . 1 1 83 83 SER HA H 83 4.415 4.415 4.181 0.234 18480 10996 1 15 . 1 1 83 83 SER C C 83 174.856 174.856 175.311 -0.455 18480 10997 1 15 . 1 1 83 83 SER CA C 83 59.772 59.772 60.815 -1.043 18480 10998 1 15 . 1 1 83 83 SER CB C 83 64.952 64.952 63.594 1.358 18480 10999 1 15 . 1 1 83 83 SER H H 83 7.823 7.823 8.130 -0.307 18480 11000 1 15 . 1 1 84 84 GLU N N 84 120.696 120.696 121.338 -0.642 18480 11001 1 15 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.391 0.110 18480 11002 1 15 . 1 1 84 84 GLU C C 84 176.597 176.597 174.905 1.692 18480 11003 1 15 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.603 0.993 18480 11004 1 15 . 1 1 84 84 GLU CB C 84 28.537 28.537 31.348 -2.811 18480 11005 1 15 . 1 1 84 84 GLU H H 84 7.666 7.666 7.525 0.141 18480 11006 1 15 . 1 1 85 85 GLU N N 85 124.951 124.951 121.317 3.634 18480 11007 1 15 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.534 -0.272 18480 11008 1 15 . 1 1 85 85 GLU C C 85 177.258 177.258 175.980 1.278 18480 11009 1 15 . 1 1 85 85 GLU CA C 85 56.845 56.845 54.803 2.042 18480 11010 1 15 . 1 1 85 85 GLU CB C 85 30.803 30.803 33.215 -2.412 18480 11011 1 15 . 1 1 85 85 GLU H H 85 8.735 8.735 8.272 0.463 18480 11012 1 15 . 1 1 86 86 GLY N N 86 110.356 110.356 107.835 2.521 18480 11013 1 15 . 1 1 86 86 GLY C C 86 174.856 174.856 174.169 0.687 18480 11014 1 15 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.998 -0.608 18480 11015 1 15 . 1 1 86 86 GLY H H 86 8.609 8.609 8.557 0.052 18480 11016 1 15 . 1 1 87 87 GLY N N 87 107.569 107.569 111.446 -3.877 18480 11017 1 15 . 1 1 87 87 GLY C C 87 174.436 174.436 174.581 -0.145 18480 11018 1 15 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.886 -0.626 18480 11019 1 15 . 1 1 87 87 GLY H H 87 7.931 7.931 8.513 -0.582 18480 11020 1 15 . 1 1 88 88 GLY N N 88 109.889 109.889 107.548 2.341 18480 11021 1 15 . 1 1 88 88 GLY C C 88 173.325 173.325 173.312 0.013 18480 11022 1 15 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.709 1.457 18480 11023 1 15 . 1 1 88 88 GLY H H 88 8.650 8.650 7.519 1.131 18480 11024 1 15 . 1 1 89 89 SER N N 89 114.731 114.731 118.163 -3.432 18480 11025 1 15 . 1 1 89 89 SER HA H 89 4.411 4.411 4.411 -0.000 18480 11026 1 15 . 1 1 89 89 SER C C 89 175.066 175.066 176.145 -1.079 18480 11027 1 15 . 1 1 89 89 SER CA C 89 57.363 57.363 56.894 0.469 18480 11028 1 15 . 1 1 89 89 SER CB C 89 62.483 62.483 64.507 -2.024 18480 11029 1 15 . 1 1 89 89 SER H H 89 8.640 8.640 7.725 0.915 18480 11030 1 15 . 1 1 90 90 LEU N N 90 123.210 123.210 122.715 0.495 18480 11031 1 15 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.094 -0.119 18480 11032 1 15 . 1 1 90 90 LEU C C 90 179.434 179.434 177.856 1.578 18480 11033 1 15 . 1 1 90 90 LEU CA C 90 58.343 58.343 57.984 0.359 18480 11034 1 15 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.939 -0.575 18480 11035 1 15 . 1 1 90 90 LEU H H 90 8.976 8.976 8.766 0.210 18480 11036 1 15 . 1 1 91 91 SER N N 91 115.789 115.789 113.680 2.109 18480 11037 1 15 . 1 1 91 91 SER HA H 91 4.149 4.149 4.363 -0.214 18480 11038 1 15 . 1 1 91 91 SER C C 91 177.325 177.325 176.215 1.110 18480 11039 1 15 . 1 1 91 91 SER CA C 91 61.794 61.794 62.184 -0.390 18480 11040 1 15 . 1 1 91 91 SER CB C 91 62.276 62.276 62.061 0.215 18480 11041 1 15 . 1 1 91 91 SER H H 91 8.612 8.612 8.246 0.366 18480 11042 1 15 . 1 1 92 92 THR N N 92 122.677 122.677 119.714 2.963 18480 11043 1 15 . 1 1 92 92 THR HA H 92 3.919 3.919 4.191 -0.272 18480 11044 1 15 . 1 1 92 92 THR C C 92 176.162 176.162 176.641 -0.479 18480 11045 1 15 . 1 1 92 92 THR CA C 92 66.719 66.719 66.004 0.715 18480 11046 1 15 . 1 1 92 92 THR CB C 92 68.236 68.236 68.752 -0.517 18480 11047 1 15 . 1 1 92 92 THR H H 92 7.871 7.871 7.982 -0.111 18480 11048 1 15 . 1 1 93 93 LYS N N 93 119.820 119.820 121.111 -1.291 18480 11049 1 15 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.871 -0.302 18480 11050 1 15 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.604 1.048 18480 11051 1 15 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.679 2.049 18480 11052 1 15 . 1 1 93 93 LYS H H 93 8.263 8.263 8.477 -0.214 18480 11053 1 15 . 1 1 94 94 THR N N 94 113.759 113.759 116.915 -3.156 18480 11054 1 15 . 1 1 94 94 THR HA H 94 3.692 3.692 4.058 -0.366 18480 11055 1 15 . 1 1 94 94 THR C C 94 177.033 177.033 176.521 0.512 18480 11056 1 15 . 1 1 94 94 THR CA C 94 68.122 68.122 67.066 1.056 18480 11057 1 15 . 1 1 94 94 THR CB C 94 68.342 68.342 68.817 -0.475 18480 11058 1 15 . 1 1 94 94 THR H H 94 8.448 8.448 7.777 0.671 18480 11059 1 15 . 1 1 95 95 SER N N 95 117.547 117.547 116.527 1.020 18480 11060 1 15 . 1 1 95 95 SER HA H 95 4.262 4.262 4.279 -0.017 18480 11061 1 15 . 1 1 95 95 SER C C 95 177.828 177.828 176.641 1.187 18480 11062 1 15 . 1 1 95 95 SER CA C 95 61.758 61.758 61.744 0.014 18480 11063 1 15 . 1 1 95 95 SER CB C 95 62.667 62.667 62.771 -0.104 18480 11064 1 15 . 1 1 95 95 SER H H 95 8.173 8.173 7.793 0.380 18480 11065 1 15 . 1 1 96 96 SER N N 96 121.366 121.366 119.901 1.465 18480 11066 1 15 . 1 1 96 96 SER HA H 96 4.035 4.035 4.286 -0.251 18480 11067 1 15 . 1 1 96 96 SER CA C 96 62.467 62.467 61.969 0.498 18480 11068 1 15 . 1 1 96 96 SER CB C 96 61.755 61.755 63.101 -1.346 18480 11069 1 15 . 1 1 96 96 SER H H 96 8.830 8.830 8.055 0.775 18480 11070 1 15 . 1 1 97 97 ILE N N 97 121.943 121.943 121.619 0.324 18480 11071 1 15 . 1 1 97 97 ILE HA H 97 3.809 3.809 4.028 -0.219 18480 11072 1 15 . 1 1 97 97 ILE C C 97 177.693 177.693 177.707 -0.014 18480 11073 1 15 . 1 1 97 97 ILE CA C 97 66.042 66.042 64.830 1.212 18480 11074 1 15 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.904 -0.368 18480 11075 1 15 . 1 1 97 97 ILE H H 97 8.380 8.380 7.796 0.584 18480 11076 1 15 . 1 1 98 98 ALA N N 98 122.507 122.507 122.933 -0.426 18480 11077 1 15 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.008 0.032 18480 11078 1 15 . 1 1 98 98 ALA C C 98 180.740 180.740 179.712 1.028 18480 11079 1 15 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.502 0.886 18480 11080 1 15 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.022 0.132 18480 11081 1 15 . 1 1 98 98 ALA H H 98 8.624 8.624 8.033 0.591 18480 11082 1 15 . 1 1 99 99 SER N N 99 115.850 115.850 114.175 1.675 18480 11083 1 15 . 1 1 99 99 SER HA H 99 4.325 4.325 4.248 0.077 18480 11084 1 15 . 1 1 99 99 SER C C 99 177.168 177.168 176.577 0.591 18480 11085 1 15 . 1 1 99 99 SER CA C 99 61.867 61.867 61.475 0.392 18480 11086 1 15 . 1 1 99 99 SER CB C 99 63.200 63.200 63.023 0.177 18480 11087 1 15 . 1 1 99 99 SER H H 99 8.667 8.667 8.209 0.458 18480 11088 1 15 . 1 1 100 100 ALA N N 100 124.410 124.410 125.194 -0.784 18480 11089 1 15 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.853 -0.711 18480 11090 1 15 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.756 0.632 18480 11091 1 15 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.514 0.113 18480 11092 1 15 . 1 1 100 100 ALA H H 100 8.744 8.744 7.809 0.935 18480 11093 1 15 . 1 1 101 101 MET N N 101 119.346 119.346 118.049 1.297 18480 11094 1 15 . 1 1 101 101 MET HA H 101 4.368 4.368 4.623 -0.255 18480 11095 1 15 . 1 1 101 101 MET CA C 101 59.163 59.163 57.333 1.830 18480 11096 1 15 . 1 1 101 101 MET CB C 101 33.233 33.233 31.887 1.346 18480 11097 1 15 . 1 1 101 101 MET H H 101 9.152 9.152 8.955 0.197 18480 11098 1 15 . 1 1 102 102 SER N N 102 117.124 117.124 115.975 1.149 18480 11099 1 15 . 1 1 102 102 SER HA H 102 4.382 4.382 4.230 0.152 18480 11100 1 15 . 1 1 102 102 SER CA C 102 63.424 63.424 62.413 1.010 18480 11101 1 15 . 1 1 102 102 SER CB C 102 62.639 62.639 63.225 -0.586 18480 11102 1 15 . 1 1 102 102 SER H H 102 8.766 8.766 8.464 0.302 18480 11103 1 15 . 1 1 103 103 ASN N N 103 118.601 118.601 118.387 0.214 18480 11104 1 15 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.634 -0.168 18480 11105 1 15 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.727 0.912 18480 11106 1 15 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.485 -0.178 18480 11107 1 15 . 1 1 103 103 ASN H H 103 8.298 8.298 8.260 0.038 18480 11108 1 15 . 1 1 104 104 ALA N N 104 122.821 122.821 123.224 -0.403 18480 11109 1 15 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.172 0.067 18480 11110 1 15 . 1 1 104 104 ALA C C 104 181.701 181.701 179.339 2.362 18480 11111 1 15 . 1 1 104 104 ALA CA C 104 55.272 55.272 55.004 0.268 18480 11112 1 15 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.866 -0.692 18480 11113 1 15 . 1 1 104 104 ALA H H 104 7.969 7.969 7.505 0.464 18480 11114 1 15 . 1 1 105 105 PHE N N 105 119.585 119.585 117.834 1.751 18480 11115 1 15 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.660 -0.452 18480 11116 1 15 . 1 1 105 105 PHE C C 105 179.224 179.224 178.207 1.017 18480 11117 1 15 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.521 2.601 18480 11118 1 15 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.179 0.388 18480 11119 1 15 . 1 1 105 105 PHE H H 105 8.647 8.647 8.190 0.457 18480 11120 1 15 . 1 1 106 106 LEU N N 106 121.925 121.925 117.381 4.544 18480 11121 1 15 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.025 -0.326 18480 11122 1 15 . 1 1 106 106 LEU C C 106 179.074 179.074 179.164 -0.090 18480 11123 1 15 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.309 1.746 18480 11124 1 15 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.282 0.180 18480 11125 1 15 . 1 1 106 106 LEU H H 106 8.450 8.450 7.715 0.735 18480 11126 1 15 . 1 1 107 107 GLN N N 107 115.214 115.214 118.281 -3.067 18480 11127 1 15 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.282 -0.180 18480 11128 1 15 . 1 1 107 107 GLN C C 107 176.822 176.822 177.743 -0.921 18480 11129 1 15 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.971 -0.385 18480 11130 1 15 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.821 0.458 18480 11131 1 15 . 1 1 107 107 GLN H H 107 8.444 8.444 7.865 0.579 18480 11132 1 15 . 1 1 108 108 THR N N 108 109.014 109.014 112.937 -3.923 18480 11133 1 15 . 1 1 108 108 THR HA H 108 4.369 4.369 4.021 0.348 18480 11134 1 15 . 1 1 108 108 THR C C 108 175.952 175.952 176.089 -0.137 18480 11135 1 15 . 1 1 108 108 THR CA C 108 63.658 63.658 64.447 -0.789 18480 11136 1 15 . 1 1 108 108 THR CB C 108 70.179 70.179 68.400 1.779 18480 11137 1 15 . 1 1 108 108 THR H H 108 7.631 7.631 7.675 -0.044 18480 11138 1 15 . 1 1 109 109 THR N N 109 110.844 110.844 113.206 -2.362 18480 11139 1 15 . 1 1 109 109 THR HA H 109 4.477 4.477 4.285 0.192 18480 11140 1 15 . 1 1 109 109 THR C C 109 176.162 176.162 175.801 0.361 18480 11141 1 15 . 1 1 109 109 THR CA C 109 61.728 61.728 62.216 -0.488 18480 11142 1 15 . 1 1 109 109 THR CB C 109 70.659 70.659 69.799 0.860 18480 11143 1 15 . 1 1 109 109 THR H H 109 8.623 8.623 7.647 0.976 18480 11144 1 15 . 1 1 110 110 GLY N N 110 109.549 109.549 109.335 0.214 18480 11145 1 15 . 1 1 110 110 GLY C C 110 172.889 172.889 173.269 -0.380 18480 11146 1 15 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.978 0.565 18480 11147 1 15 . 1 1 110 110 GLY H H 110 8.113 8.113 8.332 -0.219 18480 11148 1 15 . 1 1 111 111 VAL N N 111 118.903 118.903 120.190 -1.287 18480 11149 1 15 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.582 -0.326 18480 11150 1 15 . 1 1 111 111 VAL C C 111 174.421 174.421 174.685 -0.264 18480 11151 1 15 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.194 0.567 18480 11152 1 15 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.592 -0.082 18480 11153 1 15 . 1 1 111 111 VAL H H 111 7.724 7.724 7.763 -0.039 18480 11154 1 15 . 1 1 112 112 VAL N N 112 124.398 124.398 125.269 -0.871 18480 11155 1 15 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.390 -1.157 18480 11156 1 15 . 1 1 112 112 VAL C C 112 174.646 174.646 174.539 0.107 18480 11157 1 15 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.309 3.426 18480 11158 1 15 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.021 -1.215 18480 11159 1 15 . 1 1 112 112 VAL H H 112 8.627 8.627 8.445 0.182 18480 11160 1 15 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.610 -0.041 18480 11161 1 15 . 1 1 113 113 ASN CA C 113 51.207 51.207 53.357 -2.150 18480 11162 1 15 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.527 -0.146 18480 11163 1 15 . 1 1 114 114 GLN N N 114 125.364 125.364 126.425 -1.061 18480 11164 1 15 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.136 -0.196 18480 11165 1 15 . 1 1 114 114 GLN C C 114 174.811 174.811 175.524 -0.713 18480 11166 1 15 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.346 -0.710 18480 11167 1 15 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.923 -0.831 18480 11168 1 15 . 1 1 114 114 GLN H H 114 8.731 8.731 8.542 0.189 18480 11169 1 15 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.199 0.069 18480 11170 1 15 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.737 0.924 18480 11171 1 15 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.171 0.027 18480 11172 1 15 . 1 1 116 116 PHE N N 116 118.102 118.102 118.670 -0.568 18480 11173 1 15 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.360 -0.099 18480 11174 1 15 . 1 1 116 116 PHE C C 116 176.597 176.597 177.654 -1.057 18480 11175 1 15 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.064 0.226 18480 11176 1 15 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.024 0.556 18480 11177 1 15 . 1 1 116 116 PHE H H 116 7.712 7.712 8.022 -0.310 18480 11178 1 15 . 1 1 117 117 ILE N N 117 118.950 118.950 118.094 0.856 18480 11179 1 15 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.610 0.044 18480 11180 1 15 . 1 1 117 117 ILE C C 117 178.789 178.789 178.315 0.474 18480 11181 1 15 . 1 1 117 117 ILE CA C 117 64.640 64.640 64.032 0.608 18480 11182 1 15 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.449 0.065 18480 11183 1 15 . 1 1 117 117 ILE H H 117 7.747 7.747 7.875 -0.128 18480 11184 1 15 . 1 1 118 118 ASN N N 118 119.204 119.204 118.810 0.394 18480 11185 1 15 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.460 -0.093 18480 11186 1 15 . 1 1 118 118 ASN C C 118 177.033 177.033 178.289 -1.256 18480 11187 1 15 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.435 -0.654 18480 11188 1 15 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.622 -1.137 18480 11189 1 15 . 1 1 118 118 ASN H H 118 8.847 8.847 7.851 0.996 18480 11190 1 15 . 1 1 119 119 GLU N N 119 120.684 120.684 121.066 -0.382 18480 11191 1 15 . 1 1 119 119 GLU HA H 119 3.965 3.965 3.857 0.108 18480 11192 1 15 . 1 1 119 119 GLU C C 119 178.564 178.564 178.769 -0.205 18480 11193 1 15 . 1 1 119 119 GLU CA C 119 59.114 59.114 59.400 -0.286 18480 11194 1 15 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.288 -0.770 18480 11195 1 15 . 1 1 119 119 GLU H H 119 8.081 8.081 8.344 -0.263 18480 11196 1 15 . 1 1 120 120 ILE N N 120 118.037 118.037 117.660 0.377 18480 11197 1 15 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.689 -0.117 18480 11198 1 15 . 1 1 120 120 ILE C C 120 178.279 178.279 177.937 0.342 18480 11199 1 15 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.147 -1.049 18480 11200 1 15 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.379 -1.127 18480 11201 1 15 . 1 1 120 120 ILE H H 120 7.948 7.948 7.753 0.195 18480 11202 1 15 . 1 1 121 121 THR N N 121 113.671 113.671 109.836 3.835 18480 11203 1 15 . 1 1 121 121 THR HA H 121 3.804 3.804 3.914 -0.110 18480 11204 1 15 . 1 1 121 121 THR C C 121 177.258 177.258 176.462 0.796 18480 11205 1 15 . 1 1 121 121 THR CA C 121 66.771 66.771 65.613 1.158 18480 11206 1 15 . 1 1 121 121 THR CB C 121 68.293 68.293 68.406 -0.113 18480 11207 1 15 . 1 1 121 121 THR H H 121 8.345 8.345 7.517 0.828 18480 11208 1 15 . 1 1 122 122 GLN N N 122 121.849 121.849 120.596 1.253 18480 11209 1 15 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.139 -0.140 18480 11210 1 15 . 1 1 122 122 GLN C C 122 179.014 179.014 178.086 0.928 18480 11211 1 15 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.271 0.495 18480 11212 1 15 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.668 -0.236 18480 11213 1 15 . 1 1 122 122 GLN H H 122 7.589 7.589 7.461 0.128 18480 11214 1 15 . 1 1 123 123 LEU N N 123 120.855 120.855 120.539 0.316 18480 11215 1 15 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.663 -0.245 18480 11216 1 15 . 1 1 123 123 LEU C C 123 178.354 178.354 178.420 -0.066 18480 11217 1 15 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.418 0.398 18480 11218 1 15 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.658 -0.807 18480 11219 1 15 . 1 1 123 123 LEU H H 123 8.081 8.081 7.358 0.723 18480 11220 1 15 . 1 1 124 124 VAL N N 124 115.864 115.864 118.423 -2.559 18480 11221 1 15 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.766 -0.416 18480 11222 1 15 . 1 1 124 124 VAL C C 124 177.453 177.453 178.523 -1.070 18480 11223 1 15 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.047 1.426 18480 11224 1 15 . 1 1 124 124 VAL CB C 124 31.606 31.606 30.696 0.910 18480 11225 1 15 . 1 1 124 124 VAL H H 124 7.574 7.574 7.865 -0.291 18480 11226 1 15 . 1 1 125 125 SER N N 125 110.334 110.334 115.003 -4.669 18480 11227 1 15 . 1 1 125 125 SER HA H 125 4.054 4.054 4.177 -0.123 18480 11228 1 15 . 1 1 125 125 SER C C 125 175.937 175.937 176.547 -0.610 18480 11229 1 15 . 1 1 125 125 SER CA C 125 61.763 61.763 61.524 0.239 18480 11230 1 15 . 1 1 125 125 SER CB C 125 62.864 62.864 63.398 -0.534 18480 11231 1 15 . 1 1 125 125 SER H H 125 6.950 6.950 7.482 -0.532 18480 11232 1 15 . 1 1 126 126 MET N N 126 121.750 121.750 119.570 2.180 18480 11233 1 15 . 1 1 126 126 MET HA H 126 3.951 3.951 4.153 -0.202 18480 11234 1 15 . 1 1 126 126 MET C C 126 179.254 179.254 178.349 0.905 18480 11235 1 15 . 1 1 126 126 MET CA C 126 59.246 59.246 58.455 0.791 18480 11236 1 15 . 1 1 126 126 MET CB C 126 33.265 33.265 32.172 1.093 18480 11237 1 15 . 1 1 126 126 MET H H 126 8.113 8.113 7.371 0.742 18480 11238 1 15 . 1 1 127 127 PHE N N 127 118.909 118.909 118.571 0.338 18480 11239 1 15 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.285 0.358 18480 11240 1 15 . 1 1 127 127 PHE C C 127 178.128 178.128 177.381 0.747 18480 11241 1 15 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.833 -3.074 18480 11242 1 15 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.235 -0.174 18480 11243 1 15 . 1 1 127 127 PHE H H 127 8.791 8.791 7.992 0.799 18480 11244 1 15 . 1 1 128 128 ALA N N 128 122.620 122.620 119.711 2.909 18480 11245 1 15 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.111 0.065 18480 11246 1 15 . 1 1 128 128 ALA C C 128 178.789 178.789 178.942 -0.153 18480 11247 1 15 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.640 0.025 18480 11248 1 15 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.481 0.684 18480 11249 1 15 . 1 1 128 128 ALA H H 128 8.235 8.235 7.664 0.571 18480 11250 1 15 . 1 1 129 129 GLN N N 129 116.507 116.507 117.402 -0.895 18480 11251 1 15 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.184 0.041 18480 11252 1 15 . 1 1 129 129 GLN C C 129 177.258 177.258 177.696 -0.438 18480 11253 1 15 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.793 -0.775 18480 11254 1 15 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.889 0.236 18480 11255 1 15 . 1 1 129 129 GLN H H 129 7.715 7.715 7.535 0.180 18480 11256 1 15 . 1 1 130 130 ALA N N 130 122.020 122.020 121.274 0.746 18480 11257 1 15 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.240 -0.020 18480 11258 1 15 . 1 1 130 130 ALA C C 130 178.564 178.564 178.700 -0.136 18480 11259 1 15 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.150 0.656 18480 11260 1 15 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.371 -0.411 18480 11261 1 15 . 1 1 130 130 ALA H H 130 7.775 7.775 7.801 -0.026 18480 11262 1 15 . 1 1 131 131 GLY N N 131 106.006 106.006 107.604 -1.598 18480 11263 1 15 . 1 1 131 131 GLY C C 131 173.970 173.970 175.049 -1.079 18480 11264 1 15 . 1 1 131 131 GLY CA C 131 46.113 46.113 45.647 0.466 18480 11265 1 15 . 1 1 131 131 GLY H H 131 8.110 8.110 8.172 -0.062 18480 11266 1 15 . 1 1 132 132 MET N N 132 118.637 118.637 115.978 2.659 18480 11267 1 15 . 1 1 132 132 MET HA H 132 4.401 4.401 4.479 -0.078 18480 11268 1 15 . 1 1 132 132 MET C C 132 175.952 175.952 175.882 0.070 18480 11269 1 15 . 1 1 132 132 MET CA C 132 56.375 56.375 54.954 1.421 18480 11270 1 15 . 1 1 132 132 MET CB C 132 32.939 32.939 30.556 2.383 18480 11271 1 15 . 1 1 132 132 MET H H 132 7.945 7.945 8.380 -0.435 18480 11272 1 15 . 1 1 133 133 ASN N N 133 117.955 117.955 116.294 1.661 18480 11273 1 15 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.619 0.152 18480 11274 1 15 . 1 1 133 133 ASN C C 133 174.646 174.646 175.479 -0.833 18480 11275 1 15 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.159 -0.671 18480 11276 1 15 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.445 0.931 18480 11277 1 15 . 1 1 133 133 ASN H H 133 8.283 8.283 7.859 0.424 18480 11278 1 15 . 1 1 134 134 ASP N N 134 120.891 120.891 121.516 -0.625 18480 11279 1 15 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.619 -0.000 18480 11280 1 15 . 1 1 134 134 ASP C C 134 176.162 176.162 176.951 -0.789 18480 11281 1 15 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.316 -0.915 18480 11282 1 15 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.373 -1.200 18480 11283 1 15 . 1 1 134 134 ASP H H 134 8.192 8.192 7.659 0.533 18480 11284 1 15 . 1 1 135 135 VAL N N 135 119.737 119.737 116.632 3.105 18480 11285 1 15 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.637 0.543 18480 11286 1 15 . 1 1 135 135 VAL C C 135 176.162 176.162 175.453 0.709 18480 11287 1 15 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.488 -1.342 18480 11288 1 15 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.934 2.796 18480 11289 1 15 . 1 1 135 135 VAL H H 135 8.056 8.056 7.757 0.299 18480 11290 1 15 . 1 1 136 136 SER N N 136 119.689 119.689 112.088 7.601 18480 11291 1 15 . 1 1 136 136 SER HA H 136 4.427 4.427 4.082 0.345 18480 11292 1 15 . 1 1 136 136 SER C C 136 173.325 173.325 174.277 -0.952 18480 11293 1 15 . 1 1 136 136 SER CA C 136 58.351 58.351 59.637 -1.286 18480 11294 1 15 . 1 1 136 136 SER CB C 136 64.031 64.031 62.396 1.635 18480 11295 1 15 . 1 1 136 136 SER H H 136 8.355 8.355 8.467 -0.112 18480 11296 1 16 . 1 1 3 3 GLY N N 3 110.996 110.996 108.609 2.387 18480 11297 1 16 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.983 0.493 18480 11298 1 16 . 1 1 3 3 GLY H H 3 8.591 8.591 8.419 0.172 18480 11299 1 16 . 1 1 4 4 ASN N N 4 118.637 118.637 119.689 -1.052 18480 11300 1 16 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.790 -0.062 18480 11301 1 16 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.616 0.554 18480 11302 1 16 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.054 0.010 18480 11303 1 16 . 1 1 4 4 ASN H H 4 8.318 8.318 7.980 0.338 18480 11304 1 16 . 1 1 5 5 SER N N 5 116.285 116.285 119.050 -2.765 18480 11305 1 16 . 1 1 5 5 SER HA H 5 4.352 4.352 4.399 -0.047 18480 11306 1 16 . 1 1 5 5 SER CA C 5 58.593 58.593 59.301 -0.708 18480 11307 1 16 . 1 1 5 5 SER CB C 5 63.633 63.633 63.722 -0.089 18480 11308 1 16 . 1 1 5 5 SER H H 5 8.280 8.280 8.532 -0.252 18480 11309 1 16 . 1 1 6 6 HIS N N 6 119.777 119.777 124.522 -4.745 18480 11310 1 16 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.527 0.211 18480 11311 1 16 . 1 1 6 6 HIS CA C 6 55.344 55.344 56.235 -0.891 18480 11312 1 16 . 1 1 6 6 HIS CB C 6 29.328 29.328 30.565 -1.237 18480 11313 1 16 . 1 1 6 6 HIS H H 6 8.460 8.460 8.571 -0.111 18480 11314 1 16 . 1 1 7 7 THR N N 7 115.111 115.111 115.772 -0.661 18480 11315 1 16 . 1 1 7 7 THR HA H 7 4.217 4.217 4.129 0.088 18480 11316 1 16 . 1 1 7 7 THR C C 7 173.970 173.970 173.592 0.378 18480 11317 1 16 . 1 1 7 7 THR CA C 7 62.118 62.118 63.313 -1.195 18480 11318 1 16 . 1 1 7 7 THR CB C 7 69.871 69.871 68.815 1.056 18480 11319 1 16 . 1 1 7 7 THR H H 7 8.202 8.202 8.394 -0.192 18480 11320 1 16 . 1 1 8 8 THR N N 8 113.695 113.695 118.400 -4.705 18480 11321 1 16 . 1 1 8 8 THR HA H 8 4.439 4.439 4.302 0.137 18480 11322 1 16 . 1 1 8 8 THR C C 8 172.664 172.664 172.644 0.020 18480 11323 1 16 . 1 1 8 8 THR CA C 8 58.847 58.847 59.061 -0.214 18480 11324 1 16 . 1 1 8 8 THR CB C 8 62.183 62.183 69.120 -6.937 18480 11325 1 16 . 1 1 8 8 THR H H 8 8.113 8.113 7.750 0.363 18480 11326 1 16 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.344 -0.379 18480 11327 1 16 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.421 -0.985 18480 11328 1 16 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.557 -0.386 18480 11329 1 16 . 1 1 10 10 TRP N N 10 108.872 108.872 110.825 -1.953 18480 11330 1 16 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.036 -0.447 18480 11331 1 16 . 1 1 10 10 TRP C C 10 175.817 175.817 175.807 0.010 18480 11332 1 16 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.501 0.671 18480 11333 1 16 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.104 -1.129 18480 11334 1 16 . 1 1 10 10 TRP H H 10 6.511 6.511 6.984 -0.473 18480 11335 1 16 . 1 1 11 11 THR N N 11 113.736 113.736 117.292 -3.556 18480 11336 1 16 . 1 1 11 11 THR HA H 11 3.899 3.899 4.257 -0.358 18480 11337 1 16 . 1 1 11 11 THR C C 11 173.970 173.970 174.460 -0.490 18480 11338 1 16 . 1 1 11 11 THR CA C 11 65.731 65.731 64.693 1.038 18480 11339 1 16 . 1 1 11 11 THR CB C 11 69.609 69.609 68.751 0.858 18480 11340 1 16 . 1 1 11 11 THR H H 11 7.310 7.310 7.315 -0.005 18480 11341 1 16 . 1 1 12 12 ASN N N 12 112.814 112.814 118.546 -5.732 18480 11342 1 16 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.252 -0.580 18480 11343 1 16 . 1 1 12 12 ASN C C 12 172.889 172.889 173.435 -0.546 18480 11344 1 16 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.643 1.485 18480 11345 1 16 . 1 1 12 12 ASN CB C 12 38.699 38.699 40.295 -1.596 18480 11346 1 16 . 1 1 12 12 ASN H H 12 7.234 7.234 7.817 -0.583 18480 11347 1 16 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.280 -0.198 18480 11348 1 16 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.923 -0.281 18480 11349 1 16 . 1 1 13 13 PRO CB C 13 32.053 32.053 32.048 0.005 18480 11350 1 16 . 1 1 14 14 GLY N N 14 107.424 107.424 105.648 1.776 18480 11351 1 16 . 1 1 14 14 GLY C C 14 175.952 175.952 176.497 -0.545 18480 11352 1 16 . 1 1 14 14 GLY CA C 14 47.190 47.190 47.077 0.113 18480 11353 1 16 . 1 1 14 14 GLY H H 14 8.288 8.288 8.689 -0.401 18480 11354 1 16 . 1 1 15 15 LEU N N 15 122.906 122.906 122.895 0.011 18480 11355 1 16 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.077 -0.047 18480 11356 1 16 . 1 1 15 15 LEU C C 15 178.564 178.564 178.852 -0.288 18480 11357 1 16 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.954 0.922 18480 11358 1 16 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.664 0.652 18480 11359 1 16 . 1 1 15 15 LEU H H 15 7.956 7.956 7.342 0.614 18480 11360 1 16 . 1 1 16 16 ALA N N 16 122.949 122.949 122.221 0.728 18480 11361 1 16 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.058 0.047 18480 11362 1 16 . 1 1 16 16 ALA C C 16 179.104 179.104 178.975 0.129 18480 11363 1 16 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.849 1.131 18480 11364 1 16 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.770 0.365 18480 11365 1 16 . 1 1 16 16 ALA H H 16 7.598 7.598 8.155 -0.557 18480 11366 1 16 . 1 1 17 17 GLU N N 17 116.632 116.632 115.602 1.030 18480 11367 1 16 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.020 -0.200 18480 11368 1 16 . 1 1 17 17 GLU C C 17 177.993 177.993 178.352 -0.359 18480 11369 1 16 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.107 0.942 18480 11370 1 16 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.783 -1.062 18480 11371 1 16 . 1 1 17 17 GLU H H 17 8.097 8.097 8.052 0.045 18480 11372 1 16 . 1 1 18 18 ASN N N 18 117.645 117.645 119.623 -1.978 18480 11373 1 16 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.452 -0.025 18480 11374 1 16 . 1 1 18 18 ASN C C 18 178.347 178.347 177.259 1.088 18480 11375 1 16 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.235 0.859 18480 11376 1 16 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.340 -0.216 18480 11377 1 16 . 1 1 18 18 ASN H H 18 8.196 8.196 7.951 0.245 18480 11378 1 16 . 1 1 19 19 PHE N N 19 123.188 123.188 120.349 2.839 18480 11379 1 16 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.229 -0.278 18480 11380 1 16 . 1 1 19 19 PHE C C 19 176.837 176.837 176.791 0.046 18480 11381 1 16 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.063 0.834 18480 11382 1 16 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.054 0.675 18480 11383 1 16 . 1 1 19 19 PHE H H 19 8.868 8.868 8.435 0.433 18480 11384 1 16 . 1 1 20 20 MET N N 20 118.140 118.140 116.933 1.207 18480 11385 1 16 . 1 1 20 20 MET HA H 20 3.303 3.303 3.985 -0.682 18480 11386 1 16 . 1 1 20 20 MET C C 20 178.924 178.924 177.873 1.051 18480 11387 1 16 . 1 1 20 20 MET CA C 20 60.043 60.043 58.441 1.602 18480 11388 1 16 . 1 1 20 20 MET CB C 20 33.527 33.527 32.495 1.032 18480 11389 1 16 . 1 1 20 20 MET H H 20 7.644 7.644 7.762 -0.118 18480 11390 1 16 . 1 1 21 21 ASN N N 21 116.213 116.213 119.959 -3.746 18480 11391 1 16 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.396 0.057 18480 11392 1 16 . 1 1 21 21 ASN C C 21 178.249 178.249 178.031 0.218 18480 11393 1 16 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.458 -0.509 18480 11394 1 16 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.087 0.010 18480 11395 1 16 . 1 1 21 21 ASN H H 21 8.169 8.169 8.214 -0.045 18480 11396 1 16 . 1 1 22 22 SER N N 22 117.086 117.086 115.175 1.911 18480 11397 1 16 . 1 1 22 22 SER HA H 22 4.152 4.152 4.434 -0.282 18480 11398 1 16 . 1 1 22 22 SER C C 22 178.143 178.143 176.367 1.776 18480 11399 1 16 . 1 1 22 22 SER CA C 22 62.154 62.154 61.494 0.660 18480 11400 1 16 . 1 1 22 22 SER CB C 22 62.709 62.709 63.003 -0.294 18480 11401 1 16 . 1 1 22 22 SER H H 22 8.650 8.650 8.369 0.281 18480 11402 1 16 . 1 1 23 23 PHE N N 23 124.044 124.044 125.046 -1.002 18480 11403 1 16 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.226 -0.358 18480 11404 1 16 . 1 1 23 23 PHE C C 23 175.652 175.652 177.107 -1.455 18480 11405 1 16 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.866 1.252 18480 11406 1 16 . 1 1 23 23 PHE CB C 23 38.250 38.250 38.997 -0.747 18480 11407 1 16 . 1 1 23 23 PHE H H 23 8.394 8.394 7.218 1.176 18480 11408 1 16 . 1 1 24 24 MET N N 24 117.794 117.794 117.121 0.673 18480 11409 1 16 . 1 1 24 24 MET HA H 24 4.177 4.177 3.777 0.400 18480 11410 1 16 . 1 1 24 24 MET C C 24 179.797 179.797 178.744 1.053 18480 11411 1 16 . 1 1 24 24 MET CA C 24 56.498 56.498 56.603 -0.105 18480 11412 1 16 . 1 1 24 24 MET CB C 24 31.903 31.903 31.086 0.817 18480 11413 1 16 . 1 1 24 24 MET H H 24 7.781 7.781 8.536 -0.755 18480 11414 1 16 . 1 1 25 25 GLN N N 25 119.477 119.477 118.226 1.251 18480 11415 1 16 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.018 -0.054 18480 11416 1 16 . 1 1 25 25 GLN C C 25 179.870 179.870 178.640 1.230 18480 11417 1 16 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.684 0.064 18480 11418 1 16 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.636 -0.252 18480 11419 1 16 . 1 1 25 25 GLN H H 25 8.233 8.233 7.937 0.296 18480 11420 1 16 . 1 1 26 26 GLY N N 26 107.052 107.052 106.148 0.904 18480 11421 1 16 . 1 1 26 26 GLY C C 26 176.387 176.387 176.261 0.126 18480 11422 1 16 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.727 0.946 18480 11423 1 16 . 1 1 26 26 GLY H H 26 7.936 7.936 7.479 0.458 18480 11424 1 16 . 1 1 27 27 LEU N N 27 122.471 122.471 123.132 -0.661 18480 11425 1 16 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.074 -0.356 18480 11426 1 16 . 1 1 27 27 LEU C C 27 178.564 178.564 177.981 0.583 18480 11427 1 16 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.058 1.135 18480 11428 1 16 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.557 0.136 18480 11429 1 16 . 1 1 27 27 LEU H H 27 8.157 8.157 7.875 0.282 18480 11430 1 16 . 1 1 28 28 SER N N 28 109.215 109.215 113.431 -4.216 18480 11431 1 16 . 1 1 28 28 SER HA H 28 4.064 4.064 4.224 -0.160 18480 11432 1 16 . 1 1 28 28 SER C C 28 174.421 174.421 175.234 -0.813 18480 11433 1 16 . 1 1 28 28 SER CA C 28 61.444 61.444 60.593 0.851 18480 11434 1 16 . 1 1 28 28 SER CB C 28 63.210 63.210 63.074 0.136 18480 11435 1 16 . 1 1 28 28 SER H H 28 7.469 7.469 7.920 -0.451 18480 11436 1 16 . 1 1 29 29 SER N N 29 114.308 114.308 115.698 -1.390 18480 11437 1 16 . 1 1 29 29 SER HA H 29 4.667 4.667 4.594 0.073 18480 11438 1 16 . 1 1 29 29 SER C C 29 173.970 173.970 173.818 0.152 18480 11439 1 16 . 1 1 29 29 SER CA C 29 57.914 57.914 58.312 -0.398 18480 11440 1 16 . 1 1 29 29 SER CB C 29 64.359 64.359 63.794 0.565 18480 11441 1 16 . 1 1 29 29 SER H H 29 7.383 7.383 7.448 -0.065 18480 11442 1 16 . 1 1 30 30 MET N N 30 122.604 122.604 122.051 0.553 18480 11443 1 16 . 1 1 30 30 MET HA H 30 4.882 4.882 4.901 -0.019 18480 11444 1 16 . 1 1 30 30 MET C C 30 174.195 174.195 175.501 -1.306 18480 11445 1 16 . 1 1 30 30 MET CA C 30 53.753 53.753 51.775 1.978 18480 11446 1 16 . 1 1 30 30 MET CB C 30 32.013 32.013 32.448 -0.435 18480 11447 1 16 . 1 1 30 30 MET H H 30 7.804 7.804 7.578 0.226 18480 11448 1 16 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.500 0.166 18480 11449 1 16 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.371 -0.674 18480 11450 1 16 . 1 1 31 31 PRO CB C 31 32.953 32.953 31.959 0.994 18480 11451 1 16 . 1 1 32 32 GLY N N 32 104.648 104.648 107.432 -2.784 18480 11452 1 16 . 1 1 32 32 GLY C C 32 172.454 172.454 173.605 -1.151 18480 11453 1 16 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.692 -0.271 18480 11454 1 16 . 1 1 32 32 GLY H H 32 8.363 8.363 8.674 -0.311 18480 11455 1 16 . 1 1 33 33 PHE N N 33 116.917 116.917 117.581 -0.664 18480 11456 1 16 . 1 1 33 33 PHE HA H 33 5.287 5.287 5.293 -0.006 18480 11457 1 16 . 1 1 33 33 PHE C C 33 176.387 176.387 175.840 0.547 18480 11458 1 16 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.018 -0.116 18480 11459 1 16 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.765 -0.475 18480 11460 1 16 . 1 1 33 33 PHE H H 33 8.118 8.118 7.510 0.608 18480 11461 1 16 . 1 1 34 34 THR N N 34 113.457 113.457 112.762 0.695 18480 11462 1 16 . 1 1 34 34 THR HA H 34 4.494 4.494 4.684 -0.190 18480 11463 1 16 . 1 1 34 34 THR C C 34 175.066 175.066 174.924 0.142 18480 11464 1 16 . 1 1 34 34 THR CA C 34 59.946 59.946 59.793 0.153 18480 11465 1 16 . 1 1 34 34 THR CB C 34 70.967 70.967 71.686 -0.719 18480 11466 1 16 . 1 1 34 34 THR H H 34 8.727 8.727 8.362 0.365 18480 11467 1 16 . 1 1 35 35 ALA N N 35 122.737 122.737 123.544 -0.807 18480 11468 1 16 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.175 -0.090 18480 11469 1 16 . 1 1 35 35 ALA C C 35 180.755 180.755 179.961 0.794 18480 11470 1 16 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.413 0.110 18480 11471 1 16 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.355 -0.285 18480 11472 1 16 . 1 1 35 35 ALA H H 35 8.913 8.913 8.726 0.187 18480 11473 1 16 . 1 1 36 36 SER N N 36 113.331 113.331 114.391 -1.060 18480 11474 1 16 . 1 1 36 36 SER HA H 36 4.244 4.244 4.088 0.156 18480 11475 1 16 . 1 1 36 36 SER C C 36 177.033 177.033 177.159 -0.126 18480 11476 1 16 . 1 1 36 36 SER CA C 36 61.453 61.453 61.580 -0.127 18480 11477 1 16 . 1 1 36 36 SER CB C 36 62.529 62.529 62.888 -0.359 18480 11478 1 16 . 1 1 36 36 SER H H 36 8.347 8.347 8.413 -0.066 18480 11479 1 16 . 1 1 37 37 GLN N N 37 122.548 122.548 120.671 1.877 18480 11480 1 16 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.145 -0.086 18480 11481 1 16 . 1 1 37 37 GLN C C 37 179.149 179.149 178.098 1.051 18480 11482 1 16 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.564 0.403 18480 11483 1 16 . 1 1 37 37 GLN CB C 37 28.021 28.021 29.023 -1.002 18480 11484 1 16 . 1 1 37 37 GLN H H 37 7.500 7.500 7.492 0.008 18480 11485 1 16 . 1 1 38 38 LEU N N 38 117.948 117.948 120.577 -2.629 18480 11486 1 16 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.941 -0.049 18480 11487 1 16 . 1 1 38 38 LEU C C 38 179.675 179.675 178.953 0.722 18480 11488 1 16 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.969 -0.010 18480 11489 1 16 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.047 0.446 18480 11490 1 16 . 1 1 38 38 LEU H H 38 8.217 8.217 8.247 -0.030 18480 11491 1 16 . 1 1 39 39 ASP N N 39 120.923 120.923 119.726 1.197 18480 11492 1 16 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.277 0.134 18480 11493 1 16 . 1 1 39 39 ASP C C 39 179.224 179.224 177.859 1.365 18480 11494 1 16 . 1 1 39 39 ASP CA C 39 57.606 57.606 58.381 -0.775 18480 11495 1 16 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.869 0.959 18480 11496 1 16 . 1 1 39 39 ASP H H 39 8.192 8.192 8.247 -0.055 18480 11497 1 16 . 1 1 40 40 ASP N N 40 123.608 123.608 118.993 4.615 18480 11498 1 16 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.396 -0.179 18480 11499 1 16 . 1 1 40 40 ASP C C 40 179.600 179.600 178.514 1.086 18480 11500 1 16 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.786 1.854 18480 11501 1 16 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.934 -1.621 18480 11502 1 16 . 1 1 40 40 ASP H H 40 8.366 8.366 7.559 0.807 18480 11503 1 16 . 1 1 41 41 MET N N 41 118.772 118.772 116.963 1.809 18480 11504 1 16 . 1 1 41 41 MET HA H 41 3.638 3.638 4.316 -0.678 18480 11505 1 16 . 1 1 41 41 MET C C 41 177.693 177.693 178.504 -0.811 18480 11506 1 16 . 1 1 41 41 MET CA C 41 60.513 60.513 58.934 1.579 18480 11507 1 16 . 1 1 41 41 MET CB C 41 34.320 34.320 32.331 1.989 18480 11508 1 16 . 1 1 41 41 MET H H 41 8.423 8.423 8.380 0.043 18480 11509 1 16 . 1 1 42 42 SER N N 42 115.040 115.040 115.645 -0.605 18480 11510 1 16 . 1 1 42 42 SER HA H 42 4.168 4.168 4.338 -0.170 18480 11511 1 16 . 1 1 42 42 SER C C 42 177.483 177.483 176.219 1.264 18480 11512 1 16 . 1 1 42 42 SER CA C 42 61.923 61.923 61.864 0.059 18480 11513 1 16 . 1 1 42 42 SER CB C 42 63.084 63.084 62.465 0.619 18480 11514 1 16 . 1 1 42 42 SER H H 42 8.901 8.901 8.397 0.504 18480 11515 1 16 . 1 1 43 43 THR N N 43 118.747 118.747 119.549 -0.802 18480 11516 1 16 . 1 1 43 43 THR HA H 43 3.914 3.914 4.077 -0.163 18480 11517 1 16 . 1 1 43 43 THR C C 43 177.258 177.258 176.729 0.529 18480 11518 1 16 . 1 1 43 43 THR CA C 43 67.017 67.017 67.087 -0.070 18480 11519 1 16 . 1 1 43 43 THR CB C 43 69.500 69.500 68.681 0.819 18480 11520 1 16 . 1 1 43 43 THR H H 43 8.479 8.479 7.317 1.162 18480 11521 1 16 . 1 1 44 44 ILE N N 44 121.898 121.898 121.509 0.389 18480 11522 1 16 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.700 0.003 18480 11523 1 16 . 1 1 44 44 ILE C C 44 178.564 178.564 177.553 1.011 18480 11524 1 16 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.240 -1.176 18480 11525 1 16 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.446 -1.237 18480 11526 1 16 . 1 1 44 44 ILE H H 44 7.807 7.807 7.907 -0.100 18480 11527 1 16 . 1 1 45 45 ALA N N 45 124.002 124.002 122.856 1.146 18480 11528 1 16 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.009 0.033 18480 11529 1 16 . 1 1 45 45 ALA C C 45 179.404 179.404 179.371 0.033 18480 11530 1 16 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.594 0.947 18480 11531 1 16 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.332 0.126 18480 11532 1 16 . 1 1 45 45 ALA H H 45 9.145 9.145 8.651 0.494 18480 11533 1 16 . 1 1 46 46 GLN N N 46 115.753 115.753 116.543 -0.790 18480 11534 1 16 . 1 1 46 46 GLN HA H 46 4.023 4.023 3.983 0.040 18480 11535 1 16 . 1 1 46 46 GLN C C 46 179.014 179.014 178.395 0.619 18480 11536 1 16 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.299 0.654 18480 11537 1 16 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.284 0.116 18480 11538 1 16 . 1 1 46 46 GLN H H 46 8.459 8.459 8.025 0.434 18480 11539 1 16 . 1 1 47 47 SER N N 47 116.041 116.041 117.247 -1.206 18480 11540 1 16 . 1 1 47 47 SER HA H 47 4.258 4.258 4.254 0.004 18480 11541 1 16 . 1 1 47 47 SER C C 47 177.483 177.483 176.821 0.662 18480 11542 1 16 . 1 1 47 47 SER CA C 47 62.328 62.328 61.275 1.053 18480 11543 1 16 . 1 1 47 47 SER CB C 47 63.154 63.154 63.084 0.070 18480 11544 1 16 . 1 1 47 47 SER H H 47 7.961 7.961 8.119 -0.158 18480 11545 1 16 . 1 1 48 48 MET N N 48 122.349 122.349 120.889 1.460 18480 11546 1 16 . 1 1 48 48 MET HA H 48 4.376 4.376 4.357 0.019 18480 11547 1 16 . 1 1 48 48 MET C C 48 177.798 177.798 178.886 -1.088 18480 11548 1 16 . 1 1 48 48 MET CA C 48 58.198 58.198 57.919 0.279 18480 11549 1 16 . 1 1 48 48 MET CB C 48 32.102 32.102 32.409 -0.307 18480 11550 1 16 . 1 1 48 48 MET H H 48 8.508 8.508 8.484 0.024 18480 11551 1 16 . 1 1 49 49 VAL N N 49 122.061 122.061 116.908 5.153 18480 11552 1 16 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.593 -0.151 18480 11553 1 16 . 1 1 49 49 VAL C C 49 177.910 177.910 177.758 0.152 18480 11554 1 16 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.528 1.394 18480 11555 1 16 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.166 0.593 18480 11556 1 16 . 1 1 49 49 VAL H H 49 8.541 8.541 7.876 0.665 18480 11557 1 16 . 1 1 50 50 GLN N N 50 118.465 118.465 120.194 -1.729 18480 11558 1 16 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.051 0.006 18480 11559 1 16 . 1 1 50 50 GLN C C 50 179.449 179.449 178.728 0.721 18480 11560 1 16 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.300 -0.275 18480 11561 1 16 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.898 -0.891 18480 11562 1 16 . 1 1 50 50 GLN H H 50 8.165 8.165 8.375 -0.210 18480 11563 1 16 . 1 1 51 51 SER N N 51 117.659 117.659 116.473 1.186 18480 11564 1 16 . 1 1 51 51 SER HA H 51 3.854 3.854 4.245 -0.391 18480 11565 1 16 . 1 1 51 51 SER C C 51 176.374 176.374 176.701 -0.327 18480 11566 1 16 . 1 1 51 51 SER CA C 51 62.642 62.642 62.138 0.504 18480 11567 1 16 . 1 1 51 51 SER CB C 51 63.039 63.039 62.844 0.195 18480 11568 1 16 . 1 1 51 51 SER H H 51 8.199 8.199 8.115 0.084 18480 11569 1 16 . 1 1 52 52 ILE N N 52 122.930 122.930 123.928 -0.998 18480 11570 1 16 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.604 -0.224 18480 11571 1 16 . 1 1 52 52 ILE C C 52 178.684 178.684 178.046 0.638 18480 11572 1 16 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.362 0.952 18480 11573 1 16 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.554 -0.006 18480 11574 1 16 . 1 1 52 52 ILE H H 52 8.068 8.068 8.303 -0.235 18480 11575 1 16 . 1 1 53 53 GLN N N 53 118.774 118.774 118.810 -0.036 18480 11576 1 16 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.973 -0.060 18480 11577 1 16 . 1 1 53 53 GLN C C 53 179.014 179.014 178.798 0.216 18480 11578 1 16 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.216 -0.048 18480 11579 1 16 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.507 -0.490 18480 11580 1 16 . 1 1 53 53 GLN H H 53 8.459 8.459 8.159 0.300 18480 11581 1 16 . 1 1 54 54 SER N N 54 115.452 115.452 117.475 -2.023 18480 11582 1 16 . 1 1 54 54 SER HA H 54 4.294 4.294 4.197 0.097 18480 11583 1 16 . 1 1 54 54 SER C C 54 176.822 176.822 176.606 0.216 18480 11584 1 16 . 1 1 54 54 SER CA C 54 61.276 61.276 62.497 -1.221 18480 11585 1 16 . 1 1 54 54 SER CB C 54 62.873 62.873 62.882 -0.009 18480 11586 1 16 . 1 1 54 54 SER H H 54 8.330 8.330 8.273 0.057 18480 11587 1 16 . 1 1 55 55 LEU N N 55 121.066 121.066 121.437 -0.371 18480 11588 1 16 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.028 -0.047 18480 11589 1 16 . 1 1 55 55 LEU C C 55 179.434 179.434 178.509 0.925 18480 11590 1 16 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.735 0.241 18480 11591 1 16 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.419 1.187 18480 11592 1 16 . 1 1 55 55 LEU H H 55 8.211 8.211 8.529 -0.318 18480 11593 1 16 . 1 1 56 56 ALA N N 56 122.497 122.497 122.466 0.031 18480 11594 1 16 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.167 -0.018 18480 11595 1 16 . 1 1 56 56 ALA C C 56 180.530 180.530 179.495 1.035 18480 11596 1 16 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.621 0.448 18480 11597 1 16 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.311 -0.349 18480 11598 1 16 . 1 1 56 56 ALA H H 56 8.902 8.902 8.267 0.635 18480 11599 1 16 . 1 1 57 57 ALA N N 57 122.922 122.922 119.914 3.008 18480 11600 1 16 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.116 0.041 18480 11601 1 16 . 1 1 57 57 ALA C C 57 179.344 179.344 179.523 -0.179 18480 11602 1 16 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.235 0.763 18480 11603 1 16 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.604 -0.575 18480 11604 1 16 . 1 1 57 57 ALA H H 57 8.140 8.140 7.788 0.352 18480 11605 1 16 . 1 1 58 58 GLN N N 58 113.359 113.359 115.885 -2.526 18480 11606 1 16 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.307 0.055 18480 11607 1 16 . 1 1 58 58 GLN C C 58 176.612 176.612 176.387 0.225 18480 11608 1 16 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.692 -0.094 18480 11609 1 16 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.466 1.609 18480 11610 1 16 . 1 1 58 58 GLN H H 58 7.415 7.415 7.777 -0.362 18480 11611 1 16 . 1 1 59 59 GLY N N 59 109.012 109.012 106.916 2.096 18480 11612 1 16 . 1 1 59 59 GLY C C 59 174.856 174.856 174.842 0.014 18480 11613 1 16 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.618 1.143 18480 11614 1 16 . 1 1 59 59 GLY H H 59 7.979 7.979 7.667 0.312 18480 11615 1 16 . 1 1 60 60 ARG N N 60 115.906 115.906 117.530 -1.624 18480 11616 1 16 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.542 0.060 18480 11617 1 16 . 1 1 60 60 ARG C C 60 175.847 175.847 176.056 -0.209 18480 11618 1 16 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.320 1.488 18480 11619 1 16 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.346 2.060 18480 11620 1 16 . 1 1 60 60 ARG H H 60 8.126 8.126 8.519 -0.393 18480 11621 1 16 . 1 1 61 61 THR N N 61 107.985 107.985 115.796 -7.811 18480 11622 1 16 . 1 1 61 61 THR HA H 61 4.125 4.125 4.354 -0.229 18480 11623 1 16 . 1 1 61 61 THR C C 61 173.654 173.654 174.048 -0.394 18480 11624 1 16 . 1 1 61 61 THR CA C 61 62.194 62.194 62.613 -0.419 18480 11625 1 16 . 1 1 61 61 THR CB C 61 69.512 69.512 69.266 0.246 18480 11626 1 16 . 1 1 61 61 THR H H 61 7.663 7.663 7.692 -0.029 18480 11627 1 16 . 1 1 62 62 SER N N 62 113.733 113.733 120.121 -6.388 18480 11628 1 16 . 1 1 62 62 SER HA H 62 4.973 4.973 4.872 0.101 18480 11629 1 16 . 1 1 62 62 SER C C 62 173.207 173.207 173.331 -0.124 18480 11630 1 16 . 1 1 62 62 SER CA C 62 56.343 56.343 56.328 0.015 18480 11631 1 16 . 1 1 62 62 SER CB C 62 63.992 63.992 65.135 -1.143 18480 11632 1 16 . 1 1 62 62 SER H H 62 7.057 7.057 8.214 -1.157 18480 11633 1 16 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.709 -0.007 18480 11634 1 16 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.682 0.618 18480 11635 1 16 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.227 0.009 18480 11636 1 16 . 1 1 64 64 ASN N N 64 114.886 114.886 115.952 -1.066 18480 11637 1 16 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.428 -0.026 18480 11638 1 16 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.153 0.098 18480 11639 1 16 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.481 0.556 18480 11640 1 16 . 1 1 64 64 ASN H H 64 8.642 8.642 8.872 -0.230 18480 11641 1 16 . 1 1 65 65 LYS N N 65 119.774 119.774 120.849 -1.075 18480 11642 1 16 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.102 -0.296 18480 11643 1 16 . 1 1 65 65 LYS C C 65 178.999 178.999 178.992 0.007 18480 11644 1 16 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.518 2.360 18480 11645 1 16 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.077 1.160 18480 11646 1 16 . 1 1 65 65 LYS H H 65 7.882 7.882 7.657 0.225 18480 11647 1 16 . 1 1 66 66 LEU N N 66 117.686 117.686 118.334 -0.648 18480 11648 1 16 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.116 -0.094 18480 11649 1 16 . 1 1 66 66 LEU C C 66 178.928 178.928 178.890 0.038 18480 11650 1 16 . 1 1 66 66 LEU CA C 66 57.917 57.917 56.995 0.923 18480 11651 1 16 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.711 -0.178 18480 11652 1 16 . 1 1 66 66 LEU H H 66 8.666 8.666 8.163 0.503 18480 11653 1 16 . 1 1 67 67 GLN N N 67 124.469 124.469 118.444 6.025 18480 11654 1 16 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.734 -0.442 18480 11655 1 16 . 1 1 67 67 GLN C C 67 178.789 178.789 177.457 1.332 18480 11656 1 16 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.227 1.663 18480 11657 1 16 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.804 -0.645 18480 11658 1 16 . 1 1 67 67 GLN H H 67 8.997 8.997 7.820 1.177 18480 11659 1 16 . 1 1 68 68 ALA N N 68 121.986 121.986 120.728 1.258 18480 11660 1 16 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.128 -0.318 18480 11661 1 16 . 1 1 68 68 ALA C C 68 180.320 180.320 179.517 0.803 18480 11662 1 16 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.453 1.050 18480 11663 1 16 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.416 -0.204 18480 11664 1 16 . 1 1 68 68 ALA H H 68 7.427 7.427 7.797 -0.370 18480 11665 1 16 . 1 1 69 69 LEU N N 69 118.881 118.881 115.261 3.620 18480 11666 1 16 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.402 -0.350 18480 11667 1 16 . 1 1 69 69 LEU C C 69 178.864 178.864 176.848 2.016 18480 11668 1 16 . 1 1 69 69 LEU CA C 69 57.747 57.747 54.968 2.779 18480 11669 1 16 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.289 0.605 18480 11670 1 16 . 1 1 69 69 LEU H H 69 8.143 8.143 7.431 0.712 18480 11671 1 16 . 1 1 70 70 ASN N N 70 119.848 119.848 119.123 0.725 18480 11672 1 16 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.677 -0.286 18480 11673 1 16 . 1 1 70 70 ASN C C 70 177.483 177.483 176.778 0.705 18480 11674 1 16 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.854 1.930 18480 11675 1 16 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.916 -0.444 18480 11676 1 16 . 1 1 70 70 ASN H H 70 8.456 8.456 7.850 0.606 18480 11677 1 16 . 1 1 71 71 MET N N 71 118.843 118.843 118.271 0.572 18480 11678 1 16 . 1 1 71 71 MET HA H 71 4.769 4.769 4.416 0.353 18480 11679 1 16 . 1 1 71 71 MET C C 71 178.279 178.279 178.021 0.258 18480 11680 1 16 . 1 1 71 71 MET CA C 71 56.415 56.415 56.546 -0.131 18480 11681 1 16 . 1 1 71 71 MET CB C 71 29.788 29.788 31.305 -1.517 18480 11682 1 16 . 1 1 71 71 MET H H 71 7.757 7.757 7.918 -0.161 18480 11683 1 16 . 1 1 72 72 ALA N N 72 126.265 126.265 123.512 2.753 18480 11684 1 16 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.112 0.130 18480 11685 1 16 . 1 1 72 72 ALA C C 72 179.059 179.059 179.403 -0.344 18480 11686 1 16 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.213 -0.087 18480 11687 1 16 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.145 0.778 18480 11688 1 16 . 1 1 72 72 ALA H H 72 8.559 8.559 7.689 0.870 18480 11689 1 16 . 1 1 73 73 PHE N N 73 118.887 118.887 119.658 -0.771 18480 11690 1 16 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.592 -0.529 18480 11691 1 16 . 1 1 73 73 PHE C C 73 177.258 177.258 177.274 -0.016 18480 11692 1 16 . 1 1 73 73 PHE CA C 73 61.072 61.072 59.890 1.182 18480 11693 1 16 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.149 0.156 18480 11694 1 16 . 1 1 73 73 PHE H H 73 8.337 8.337 7.487 0.850 18480 11695 1 16 . 1 1 74 74 ALA N N 74 122.360 122.360 121.120 1.240 18480 11696 1 16 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.834 -0.603 18480 11697 1 16 . 1 1 74 74 ALA C C 74 179.374 179.374 179.196 0.178 18480 11698 1 16 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.970 0.846 18480 11699 1 16 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.479 0.402 18480 11700 1 16 . 1 1 74 74 ALA H H 74 8.540 8.540 7.864 0.676 18480 11701 1 16 . 1 1 75 75 SER N N 75 112.265 112.265 113.339 -1.074 18480 11702 1 16 . 1 1 75 75 SER HA H 75 3.858 3.858 4.348 -0.490 18480 11703 1 16 . 1 1 75 75 SER CA C 75 62.251 62.251 61.240 1.011 18480 11704 1 16 . 1 1 75 75 SER CB C 75 62.874 62.874 63.568 -0.694 18480 11705 1 16 . 1 1 75 75 SER H H 75 8.859 8.859 8.246 0.613 18480 11706 1 16 . 1 1 76 76 SER N N 76 118.859 118.859 118.732 0.127 18480 11707 1 16 . 1 1 76 76 SER HA H 76 3.964 3.964 4.681 -0.717 18480 11708 1 16 . 1 1 76 76 SER CA C 76 63.066 63.066 60.971 2.095 18480 11709 1 16 . 1 1 76 76 SER CB C 76 63.377 63.377 62.992 0.385 18480 11710 1 16 . 1 1 76 76 SER H H 76 8.065 8.065 7.686 0.379 18480 11711 1 16 . 1 1 77 77 MET N N 77 120.030 120.030 119.454 0.576 18480 11712 1 16 . 1 1 77 77 MET HA H 77 4.234 4.234 4.367 -0.133 18480 11713 1 16 . 1 1 77 77 MET C C 77 178.354 178.354 177.910 0.444 18480 11714 1 16 . 1 1 77 77 MET CA C 77 57.167 57.167 56.052 1.115 18480 11715 1 16 . 1 1 77 77 MET CB C 77 32.728 32.728 31.038 1.690 18480 11716 1 16 . 1 1 77 77 MET H H 77 7.397 7.397 7.762 -0.365 18480 11717 1 16 . 1 1 78 78 ALA N N 78 119.880 119.880 122.494 -2.614 18480 11718 1 16 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.240 -0.337 18480 11719 1 16 . 1 1 78 78 ALA C C 78 178.354 178.354 179.226 -0.872 18480 11720 1 16 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.378 -0.238 18480 11721 1 16 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.524 0.577 18480 11722 1 16 . 1 1 78 78 ALA H H 78 7.908 7.908 7.800 0.108 18480 11723 1 16 . 1 1 79 79 GLU N N 79 117.907 117.907 117.792 0.115 18480 11724 1 16 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.874 0.065 18480 11725 1 16 . 1 1 79 79 GLU C C 79 178.894 178.894 177.921 0.973 18480 11726 1 16 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.610 1.090 18480 11727 1 16 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.008 0.639 18480 11728 1 16 . 1 1 79 79 GLU H H 79 8.576 8.576 7.722 0.854 18480 11729 1 16 . 1 1 80 80 ILE N N 80 121.918 121.918 119.537 2.381 18480 11730 1 16 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.842 -0.240 18480 11731 1 16 . 1 1 80 80 ILE C C 80 179.014 179.014 177.232 1.782 18480 11732 1 16 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.124 1.007 18480 11733 1 16 . 1 1 80 80 ILE CB C 80 37.625 37.625 38.364 -0.739 18480 11734 1 16 . 1 1 80 80 ILE H H 80 8.065 8.065 7.387 0.678 18480 11735 1 16 . 1 1 81 81 ALA N N 81 120.266 120.266 122.744 -2.478 18480 11736 1 16 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.072 0.076 18480 11737 1 16 . 1 1 81 81 ALA C C 81 177.258 177.258 179.049 -1.791 18480 11738 1 16 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.899 0.241 18480 11739 1 16 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.594 0.561 18480 11740 1 16 . 1 1 81 81 ALA H H 81 8.169 8.169 7.851 0.318 18480 11741 1 16 . 1 1 82 82 ALA N N 82 114.813 114.813 117.487 -2.674 18480 11742 1 16 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.164 -0.113 18480 11743 1 16 . 1 1 82 82 ALA C C 82 177.693 177.693 178.170 -0.477 18480 11744 1 16 . 1 1 82 82 ALA CA C 82 53.767 53.767 53.386 0.381 18480 11745 1 16 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.767 2.232 18480 11746 1 16 . 1 1 82 82 ALA H H 82 8.019 8.019 8.130 -0.111 18480 11747 1 16 . 1 1 83 83 SER N N 83 110.140 110.140 114.826 -4.686 18480 11748 1 16 . 1 1 83 83 SER HA H 83 4.415 4.415 4.443 -0.028 18480 11749 1 16 . 1 1 83 83 SER C C 83 174.856 174.856 175.053 -0.197 18480 11750 1 16 . 1 1 83 83 SER CA C 83 59.772 59.772 59.645 0.127 18480 11751 1 16 . 1 1 83 83 SER CB C 83 64.952 64.952 63.757 1.195 18480 11752 1 16 . 1 1 83 83 SER H H 83 7.823 7.823 7.701 0.122 18480 11753 1 16 . 1 1 84 84 GLU N N 84 120.696 120.696 120.896 -0.200 18480 11754 1 16 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.403 0.098 18480 11755 1 16 . 1 1 84 84 GLU C C 84 176.597 176.597 175.943 0.654 18480 11756 1 16 . 1 1 84 84 GLU CA C 84 56.596 56.596 56.372 0.224 18480 11757 1 16 . 1 1 84 84 GLU CB C 84 28.537 28.537 30.489 -1.952 18480 11758 1 16 . 1 1 84 84 GLU H H 84 7.666 7.666 7.615 0.051 18480 11759 1 16 . 1 1 85 85 GLU N N 85 124.951 124.951 122.256 2.695 18480 11760 1 16 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.178 0.084 18480 11761 1 16 . 1 1 85 85 GLU C C 85 177.258 177.258 177.168 0.090 18480 11762 1 16 . 1 1 85 85 GLU CA C 85 56.845 56.845 56.317 0.528 18480 11763 1 16 . 1 1 85 85 GLU CB C 85 30.803 30.803 30.742 0.061 18480 11764 1 16 . 1 1 85 85 GLU H H 85 8.735 8.735 8.431 0.304 18480 11765 1 16 . 1 1 86 86 GLY N N 86 110.356 110.356 107.046 3.310 18480 11766 1 16 . 1 1 86 86 GLY C C 86 174.856 174.856 174.288 0.568 18480 11767 1 16 . 1 1 86 86 GLY CA C 86 44.390 44.390 44.520 -0.130 18480 11768 1 16 . 1 1 86 86 GLY H H 86 8.609 8.609 8.263 0.346 18480 11769 1 16 . 1 1 87 87 GLY N N 87 107.569 107.569 109.594 -2.025 18480 11770 1 16 . 1 1 87 87 GLY C C 87 174.436 174.436 174.460 -0.024 18480 11771 1 16 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.929 -0.669 18480 11772 1 16 . 1 1 87 87 GLY H H 87 7.931 7.931 8.486 -0.555 18480 11773 1 16 . 1 1 88 88 GLY N N 88 109.889 109.889 108.236 1.653 18480 11774 1 16 . 1 1 88 88 GLY C C 88 173.325 173.325 173.454 -0.129 18480 11775 1 16 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.903 1.263 18480 11776 1 16 . 1 1 88 88 GLY H H 88 8.650 8.650 7.787 0.863 18480 11777 1 16 . 1 1 89 89 SER N N 89 114.731 114.731 118.767 -4.036 18480 11778 1 16 . 1 1 89 89 SER HA H 89 4.411 4.411 4.341 0.070 18480 11779 1 16 . 1 1 89 89 SER C C 89 175.066 175.066 175.894 -0.828 18480 11780 1 16 . 1 1 89 89 SER CA C 89 57.363 57.363 57.527 -0.164 18480 11781 1 16 . 1 1 89 89 SER CB C 89 62.483 62.483 64.137 -1.654 18480 11782 1 16 . 1 1 89 89 SER H H 89 8.640 8.640 7.924 0.716 18480 11783 1 16 . 1 1 90 90 LEU N N 90 123.210 123.210 124.069 -0.859 18480 11784 1 16 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.025 -0.050 18480 11785 1 16 . 1 1 90 90 LEU C C 90 179.434 179.434 178.133 1.301 18480 11786 1 16 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.390 -0.047 18480 11787 1 16 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.715 -0.352 18480 11788 1 16 . 1 1 90 90 LEU H H 90 8.976 8.976 8.624 0.352 18480 11789 1 16 . 1 1 91 91 SER N N 91 115.789 115.789 113.608 2.181 18480 11790 1 16 . 1 1 91 91 SER HA H 91 4.149 4.149 4.263 -0.114 18480 11791 1 16 . 1 1 91 91 SER C C 91 177.325 177.325 176.524 0.801 18480 11792 1 16 . 1 1 91 91 SER CA C 91 61.794 61.794 61.869 -0.075 18480 11793 1 16 . 1 1 91 91 SER CB C 91 62.276 62.276 61.693 0.584 18480 11794 1 16 . 1 1 91 91 SER H H 91 8.612 8.612 8.384 0.228 18480 11795 1 16 . 1 1 92 92 THR N N 92 122.677 122.677 118.979 3.698 18480 11796 1 16 . 1 1 92 92 THR HA H 92 3.919 3.919 4.110 -0.191 18480 11797 1 16 . 1 1 92 92 THR C C 92 176.162 176.162 176.788 -0.626 18480 11798 1 16 . 1 1 92 92 THR CA C 92 66.719 66.719 66.496 0.223 18480 11799 1 16 . 1 1 92 92 THR CB C 92 68.236 68.236 68.368 -0.132 18480 11800 1 16 . 1 1 92 92 THR H H 92 7.871 7.871 8.015 -0.144 18480 11801 1 16 . 1 1 93 93 LYS N N 93 119.820 119.820 122.145 -2.325 18480 11802 1 16 . 1 1 93 93 LYS HA H 93 3.569 3.569 3.846 -0.277 18480 11803 1 16 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.259 1.393 18480 11804 1 16 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.503 2.225 18480 11805 1 16 . 1 1 93 93 LYS H H 93 8.263 8.263 8.122 0.141 18480 11806 1 16 . 1 1 94 94 THR N N 94 113.759 113.759 116.203 -2.444 18480 11807 1 16 . 1 1 94 94 THR HA H 94 3.692 3.692 4.107 -0.415 18480 11808 1 16 . 1 1 94 94 THR C C 94 177.033 177.033 176.899 0.134 18480 11809 1 16 . 1 1 94 94 THR CA C 94 68.122 68.122 66.775 1.347 18480 11810 1 16 . 1 1 94 94 THR CB C 94 68.342 68.342 68.188 0.154 18480 11811 1 16 . 1 1 94 94 THR H H 94 8.448 8.448 7.987 0.461 18480 11812 1 16 . 1 1 95 95 SER N N 95 117.547 117.547 117.311 0.236 18480 11813 1 16 . 1 1 95 95 SER HA H 95 4.262 4.262 4.262 -0.000 18480 11814 1 16 . 1 1 95 95 SER C C 95 177.828 177.828 177.115 0.713 18480 11815 1 16 . 1 1 95 95 SER CA C 95 61.758 61.758 61.756 0.002 18480 11816 1 16 . 1 1 95 95 SER CB C 95 62.667 62.667 63.078 -0.411 18480 11817 1 16 . 1 1 95 95 SER H H 95 8.173 8.173 8.450 -0.277 18480 11818 1 16 . 1 1 96 96 SER N N 96 121.366 121.366 118.697 2.669 18480 11819 1 16 . 1 1 96 96 SER HA H 96 4.035 4.035 4.334 -0.299 18480 11820 1 16 . 1 1 96 96 SER CA C 96 62.467 62.467 62.016 0.451 18480 11821 1 16 . 1 1 96 96 SER CB C 96 61.755 61.755 62.967 -1.212 18480 11822 1 16 . 1 1 96 96 SER H H 96 8.830 8.830 8.267 0.563 18480 11823 1 16 . 1 1 97 97 ILE N N 97 121.943 121.943 123.902 -1.959 18480 11824 1 16 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.919 -0.110 18480 11825 1 16 . 1 1 97 97 ILE C C 97 177.693 177.693 177.788 -0.095 18480 11826 1 16 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.534 0.508 18480 11827 1 16 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.751 -0.215 18480 11828 1 16 . 1 1 97 97 ILE H H 97 8.380 8.380 7.933 0.447 18480 11829 1 16 . 1 1 98 98 ALA N N 98 122.507 122.507 122.550 -0.043 18480 11830 1 16 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.060 -0.020 18480 11831 1 16 . 1 1 98 98 ALA C C 98 180.740 180.740 179.837 0.903 18480 11832 1 16 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.616 0.772 18480 11833 1 16 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.079 0.075 18480 11834 1 16 . 1 1 98 98 ALA H H 98 8.624 8.624 8.311 0.313 18480 11835 1 16 . 1 1 99 99 SER N N 99 115.850 115.850 115.830 0.020 18480 11836 1 16 . 1 1 99 99 SER HA H 99 4.325 4.325 4.137 0.188 18480 11837 1 16 . 1 1 99 99 SER C C 99 177.168 177.168 176.710 0.458 18480 11838 1 16 . 1 1 99 99 SER CA C 99 61.867 61.867 62.772 -0.905 18480 11839 1 16 . 1 1 99 99 SER CB C 99 63.200 63.200 62.966 0.234 18480 11840 1 16 . 1 1 99 99 SER H H 99 8.667 8.667 8.287 0.380 18480 11841 1 16 . 1 1 100 100 ALA N N 100 124.410 124.410 123.586 0.824 18480 11842 1 16 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.058 0.084 18480 11843 1 16 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.840 0.548 18480 11844 1 16 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.334 0.293 18480 11845 1 16 . 1 1 100 100 ALA H H 100 8.744 8.744 8.010 0.734 18480 11846 1 16 . 1 1 101 101 MET N N 101 119.346 119.346 118.854 0.492 18480 11847 1 16 . 1 1 101 101 MET HA H 101 4.368 4.368 4.100 0.268 18480 11848 1 16 . 1 1 101 101 MET CA C 101 59.163 59.163 59.935 -0.772 18480 11849 1 16 . 1 1 101 101 MET CB C 101 33.233 33.233 33.006 0.227 18480 11850 1 16 . 1 1 101 101 MET H H 101 9.152 9.152 8.952 0.200 18480 11851 1 16 . 1 1 102 102 SER N N 102 117.124 117.124 115.154 1.970 18480 11852 1 16 . 1 1 102 102 SER HA H 102 4.382 4.382 4.361 0.021 18480 11853 1 16 . 1 1 102 102 SER CA C 102 63.424 63.424 62.639 0.785 18480 11854 1 16 . 1 1 102 102 SER CB C 102 62.639 62.639 62.937 -0.298 18480 11855 1 16 . 1 1 102 102 SER H H 102 8.766 8.766 8.443 0.323 18480 11856 1 16 . 1 1 103 103 ASN N N 103 118.601 118.601 119.618 -1.017 18480 11857 1 16 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.552 -0.086 18480 11858 1 16 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.935 0.704 18480 11859 1 16 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.610 -0.303 18480 11860 1 16 . 1 1 103 103 ASN H H 103 8.298 8.298 7.880 0.418 18480 11861 1 16 . 1 1 104 104 ALA N N 104 122.821 122.821 122.310 0.511 18480 11862 1 16 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.014 0.225 18480 11863 1 16 . 1 1 104 104 ALA C C 104 181.701 181.701 180.015 1.686 18480 11864 1 16 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.559 0.713 18480 11865 1 16 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.896 0.278 18480 11866 1 16 . 1 1 104 104 ALA H H 104 7.969 7.969 7.782 0.187 18480 11867 1 16 . 1 1 105 105 PHE N N 105 119.585 119.585 117.799 1.786 18480 11868 1 16 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.502 -0.294 18480 11869 1 16 . 1 1 105 105 PHE C C 105 179.224 179.224 178.195 1.029 18480 11870 1 16 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.474 2.648 18480 11871 1 16 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.961 0.606 18480 11872 1 16 . 1 1 105 105 PHE H H 105 8.647 8.647 7.925 0.722 18480 11873 1 16 . 1 1 106 106 LEU N N 106 121.925 121.925 117.963 3.962 18480 11874 1 16 . 1 1 106 106 LEU HA H 106 3.699 3.699 3.953 -0.254 18480 11875 1 16 . 1 1 106 106 LEU C C 106 179.074 179.074 179.347 -0.273 18480 11876 1 16 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.544 1.511 18480 11877 1 16 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.178 0.284 18480 11878 1 16 . 1 1 106 106 LEU H H 106 8.450 8.450 7.633 0.817 18480 11879 1 16 . 1 1 107 107 GLN N N 107 115.214 115.214 118.071 -2.857 18480 11880 1 16 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.265 -0.163 18480 11881 1 16 . 1 1 107 107 GLN C C 107 176.822 176.822 177.832 -1.010 18480 11882 1 16 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.917 -0.331 18480 11883 1 16 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.675 0.604 18480 11884 1 16 . 1 1 107 107 GLN H H 107 8.444 8.444 7.893 0.551 18480 11885 1 16 . 1 1 108 108 THR N N 108 109.014 109.014 112.947 -3.933 18480 11886 1 16 . 1 1 108 108 THR HA H 108 4.369 4.369 4.210 0.159 18480 11887 1 16 . 1 1 108 108 THR C C 108 175.952 175.952 176.262 -0.310 18480 11888 1 16 . 1 1 108 108 THR CA C 108 63.658 63.658 64.630 -0.972 18480 11889 1 16 . 1 1 108 108 THR CB C 108 70.179 70.179 69.319 0.860 18480 11890 1 16 . 1 1 108 108 THR H H 108 7.631 7.631 8.162 -0.531 18480 11891 1 16 . 1 1 109 109 THR N N 109 110.844 110.844 112.848 -2.004 18480 11892 1 16 . 1 1 109 109 THR HA H 109 4.477 4.477 4.393 0.084 18480 11893 1 16 . 1 1 109 109 THR C C 109 176.162 176.162 176.169 -0.007 18480 11894 1 16 . 1 1 109 109 THR CA C 109 61.728 61.728 62.477 -0.749 18480 11895 1 16 . 1 1 109 109 THR CB C 109 70.659 70.659 70.278 0.381 18480 11896 1 16 . 1 1 109 109 THR H H 109 8.623 8.623 7.734 0.889 18480 11897 1 16 . 1 1 110 110 GLY N N 110 109.549 109.549 109.239 0.310 18480 11898 1 16 . 1 1 110 110 GLY C C 110 172.889 172.889 173.266 -0.377 18480 11899 1 16 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.954 0.589 18480 11900 1 16 . 1 1 110 110 GLY H H 110 8.113 8.113 8.382 -0.269 18480 11901 1 16 . 1 1 111 111 VAL N N 111 118.903 118.903 119.376 -0.473 18480 11902 1 16 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.518 -0.262 18480 11903 1 16 . 1 1 111 111 VAL C C 111 174.421 174.421 173.768 0.653 18480 11904 1 16 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.916 -0.155 18480 11905 1 16 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.244 0.266 18480 11906 1 16 . 1 1 111 111 VAL H H 111 7.724 7.724 7.562 0.162 18480 11907 1 16 . 1 1 112 112 VAL N N 112 124.398 124.398 123.323 1.075 18480 11908 1 16 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.120 -0.887 18480 11909 1 16 . 1 1 112 112 VAL C C 112 174.646 174.646 173.692 0.954 18480 11910 1 16 . 1 1 112 112 VAL CA C 112 63.735 63.735 59.721 4.014 18480 11911 1 16 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.999 -2.193 18480 11912 1 16 . 1 1 112 112 VAL H H 112 8.627 8.627 8.195 0.432 18480 11913 1 16 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.721 -0.152 18480 11914 1 16 . 1 1 113 113 ASN CA C 113 51.207 51.207 51.965 -0.758 18480 11915 1 16 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.633 -1.252 18480 11916 1 16 . 1 1 114 114 GLN N N 114 125.364 125.364 126.765 -1.401 18480 11917 1 16 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.352 -0.412 18480 11918 1 16 . 1 1 114 114 GLN C C 114 174.811 174.811 175.776 -0.965 18480 11919 1 16 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.596 -0.960 18480 11920 1 16 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.654 -0.562 18480 11921 1 16 . 1 1 114 114 GLN H H 114 8.731 8.731 8.982 -0.251 18480 11922 1 16 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.157 0.111 18480 11923 1 16 . 1 1 115 115 PRO CA C 115 66.661 66.661 66.308 0.353 18480 11924 1 16 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.324 -0.127 18480 11925 1 16 . 1 1 116 116 PHE N N 116 118.102 118.102 118.871 -0.769 18480 11926 1 16 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.121 0.140 18480 11927 1 16 . 1 1 116 116 PHE C C 116 176.597 176.597 177.487 -0.890 18480 11928 1 16 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.892 -0.602 18480 11929 1 16 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.196 0.384 18480 11930 1 16 . 1 1 116 116 PHE H H 116 7.712 7.712 8.795 -1.083 18480 11931 1 16 . 1 1 117 117 ILE N N 117 118.950 118.950 118.259 0.691 18480 11932 1 16 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.893 -0.239 18480 11933 1 16 . 1 1 117 117 ILE C C 117 178.789 178.789 178.387 0.402 18480 11934 1 16 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.925 0.715 18480 11935 1 16 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.660 -0.146 18480 11936 1 16 . 1 1 117 117 ILE H H 117 7.747 7.747 7.784 -0.037 18480 11937 1 16 . 1 1 118 118 ASN N N 118 119.204 119.204 118.860 0.344 18480 11938 1 16 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.465 -0.098 18480 11939 1 16 . 1 1 118 118 ASN C C 118 177.033 177.033 178.120 -1.087 18480 11940 1 16 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.713 -0.932 18480 11941 1 16 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.532 -1.047 18480 11942 1 16 . 1 1 118 118 ASN H H 118 8.847 8.847 8.495 0.352 18480 11943 1 16 . 1 1 119 119 GLU N N 119 120.684 120.684 120.268 0.416 18480 11944 1 16 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.031 -0.066 18480 11945 1 16 . 1 1 119 119 GLU C C 119 178.564 178.564 178.706 -0.142 18480 11946 1 16 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.952 0.162 18480 11947 1 16 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.883 -0.365 18480 11948 1 16 . 1 1 119 119 GLU H H 119 8.081 8.081 8.402 -0.321 18480 11949 1 16 . 1 1 120 120 ILE N N 120 118.037 118.037 118.099 -0.062 18480 11950 1 16 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.851 -0.279 18480 11951 1 16 . 1 1 120 120 ILE C C 120 178.279 178.279 177.940 0.339 18480 11952 1 16 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.177 -1.079 18480 11953 1 16 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.403 -1.151 18480 11954 1 16 . 1 1 120 120 ILE H H 120 7.948 7.948 7.693 0.255 18480 11955 1 16 . 1 1 121 121 THR N N 121 113.671 113.671 112.259 1.412 18480 11956 1 16 . 1 1 121 121 THR HA H 121 3.804 3.804 4.018 -0.214 18480 11957 1 16 . 1 1 121 121 THR C C 121 177.258 177.258 176.476 0.782 18480 11958 1 16 . 1 1 121 121 THR CA C 121 66.771 66.771 66.305 0.466 18480 11959 1 16 . 1 1 121 121 THR CB C 121 68.293 68.293 68.299 -0.006 18480 11960 1 16 . 1 1 121 121 THR H H 121 8.345 8.345 7.630 0.715 18480 11961 1 16 . 1 1 122 122 GLN N N 122 121.849 121.849 121.151 0.698 18480 11962 1 16 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.078 -0.079 18480 11963 1 16 . 1 1 122 122 GLN C C 122 179.014 179.014 178.327 0.687 18480 11964 1 16 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.801 -0.035 18480 11965 1 16 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.288 0.144 18480 11966 1 16 . 1 1 122 122 GLN H H 122 7.589 7.589 7.414 0.175 18480 11967 1 16 . 1 1 123 123 LEU N N 123 120.855 120.855 120.459 0.396 18480 11968 1 16 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.746 -0.328 18480 11969 1 16 . 1 1 123 123 LEU C C 123 178.354 178.354 178.964 -0.610 18480 11970 1 16 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.780 0.036 18480 11971 1 16 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.652 -0.801 18480 11972 1 16 . 1 1 123 123 LEU H H 123 8.081 8.081 7.524 0.557 18480 11973 1 16 . 1 1 124 124 VAL N N 124 115.864 115.864 118.025 -2.161 18480 11974 1 16 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.817 -0.467 18480 11975 1 16 . 1 1 124 124 VAL C C 124 177.453 177.453 178.325 -0.872 18480 11976 1 16 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.177 1.296 18480 11977 1 16 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.499 0.107 18480 11978 1 16 . 1 1 124 124 VAL H H 124 7.574 7.574 7.937 -0.363 18480 11979 1 16 . 1 1 125 125 SER N N 125 110.334 110.334 114.720 -4.386 18480 11980 1 16 . 1 1 125 125 SER HA H 125 4.054 4.054 4.191 -0.137 18480 11981 1 16 . 1 1 125 125 SER C C 125 175.937 175.937 176.207 -0.270 18480 11982 1 16 . 1 1 125 125 SER CA C 125 61.763 61.763 61.920 -0.157 18480 11983 1 16 . 1 1 125 125 SER CB C 125 62.864 62.864 63.466 -0.602 18480 11984 1 16 . 1 1 125 125 SER H H 125 6.950 6.950 7.468 -0.518 18480 11985 1 16 . 1 1 126 126 MET N N 126 121.750 121.750 119.500 2.250 18480 11986 1 16 . 1 1 126 126 MET HA H 126 3.951 3.951 4.138 -0.187 18480 11987 1 16 . 1 1 126 126 MET C C 126 179.254 179.254 177.992 1.262 18480 11988 1 16 . 1 1 126 126 MET CA C 126 59.246 59.246 58.661 0.585 18480 11989 1 16 . 1 1 126 126 MET CB C 126 33.265 33.265 32.263 1.002 18480 11990 1 16 . 1 1 126 126 MET H H 126 8.113 8.113 8.056 0.057 18480 11991 1 16 . 1 1 127 127 PHE N N 127 118.909 118.909 117.588 1.321 18480 11992 1 16 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.377 0.266 18480 11993 1 16 . 1 1 127 127 PHE C C 127 178.128 178.128 177.017 1.111 18480 11994 1 16 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.252 -2.493 18480 11995 1 16 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.472 -0.411 18480 11996 1 16 . 1 1 127 127 PHE H H 127 8.791 8.791 7.612 1.179 18480 11997 1 16 . 1 1 128 128 ALA N N 128 122.620 122.620 121.975 0.645 18480 11998 1 16 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.222 -0.046 18480 11999 1 16 . 1 1 128 128 ALA C C 128 178.789 178.789 178.681 0.108 18480 12000 1 16 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.521 0.144 18480 12001 1 16 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.556 0.609 18480 12002 1 16 . 1 1 128 128 ALA H H 128 8.235 8.235 7.412 0.823 18480 12003 1 16 . 1 1 129 129 GLN N N 129 116.507 116.507 116.716 -0.209 18480 12004 1 16 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.251 -0.026 18480 12005 1 16 . 1 1 129 129 GLN C C 129 177.258 177.258 177.968 -0.710 18480 12006 1 16 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.428 -0.410 18480 12007 1 16 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.724 0.401 18480 12008 1 16 . 1 1 129 129 GLN H H 129 7.715 7.715 7.697 0.018 18480 12009 1 16 . 1 1 130 130 ALA N N 130 122.020 122.020 121.418 0.602 18480 12010 1 16 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.214 0.006 18480 12011 1 16 . 1 1 130 130 ALA C C 130 178.564 178.564 178.813 -0.249 18480 12012 1 16 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.306 0.500 18480 12013 1 16 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.084 -0.124 18480 12014 1 16 . 1 1 130 130 ALA H H 130 7.775 7.775 7.361 0.414 18480 12015 1 16 . 1 1 131 131 GLY N N 131 106.006 106.006 106.218 -0.212 18480 12016 1 16 . 1 1 131 131 GLY C C 131 173.970 173.970 175.365 -1.395 18480 12017 1 16 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.385 -0.272 18480 12018 1 16 . 1 1 131 131 GLY H H 131 8.110 8.110 8.249 -0.139 18480 12019 1 16 . 1 1 132 132 MET N N 132 118.637 118.637 116.177 2.460 18480 12020 1 16 . 1 1 132 132 MET HA H 132 4.401 4.401 4.435 -0.034 18480 12021 1 16 . 1 1 132 132 MET C C 132 175.952 175.952 176.069 -0.117 18480 12022 1 16 . 1 1 132 132 MET CA C 132 56.375 56.375 55.678 0.697 18480 12023 1 16 . 1 1 132 132 MET CB C 132 32.939 32.939 30.878 2.061 18480 12024 1 16 . 1 1 132 132 MET H H 132 7.945 7.945 8.271 -0.326 18480 12025 1 16 . 1 1 133 133 ASN N N 133 117.955 117.955 117.054 0.901 18480 12026 1 16 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.567 0.204 18480 12027 1 16 . 1 1 133 133 ASN C C 133 174.646 174.646 175.684 -1.038 18480 12028 1 16 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.906 -0.418 18480 12029 1 16 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.426 0.950 18480 12030 1 16 . 1 1 133 133 ASN H H 133 8.283 8.283 7.978 0.305 18480 12031 1 16 . 1 1 134 134 ASP N N 134 120.891 120.891 121.668 -0.777 18480 12032 1 16 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.541 0.078 18480 12033 1 16 . 1 1 134 134 ASP C C 134 176.162 176.162 176.901 -0.739 18480 12034 1 16 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.495 -1.094 18480 12035 1 16 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.521 -0.348 18480 12036 1 16 . 1 1 134 134 ASP H H 134 8.192 8.192 7.469 0.723 18480 12037 1 16 . 1 1 135 135 VAL N N 135 119.737 119.737 115.432 4.305 18480 12038 1 16 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.647 0.533 18480 12039 1 16 . 1 1 135 135 VAL C C 135 176.162 176.162 175.421 0.741 18480 12040 1 16 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.687 -1.540 18480 12041 1 16 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.846 2.884 18480 12042 1 16 . 1 1 135 135 VAL H H 135 8.056 8.056 8.315 -0.259 18480 12043 1 16 . 1 1 136 136 SER N N 136 119.689 119.689 109.452 10.237 18480 12044 1 16 . 1 1 136 136 SER HA H 136 4.427 4.427 4.057 0.370 18480 12045 1 16 . 1 1 136 136 SER C C 136 173.325 173.325 173.886 -0.561 18480 12046 1 16 . 1 1 136 136 SER CA C 136 58.351 58.351 59.394 -1.043 18480 12047 1 16 . 1 1 136 136 SER CB C 136 64.031 64.031 61.512 2.519 18480 12048 1 16 . 1 1 136 136 SER H H 136 8.355 8.355 8.832 -0.477 18480 12049 1 17 . 1 1 3 3 GLY N N 3 110.996 110.996 113.142 -2.146 18480 12050 1 17 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.686 0.790 18480 12051 1 17 . 1 1 3 3 GLY H H 3 8.591 8.591 8.751 -0.160 18480 12052 1 17 . 1 1 4 4 ASN N N 4 118.637 118.637 124.738 -6.101 18480 12053 1 17 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.960 -0.232 18480 12054 1 17 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.804 0.366 18480 12055 1 17 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.558 -0.494 18480 12056 1 17 . 1 1 4 4 ASN H H 4 8.318 8.318 8.260 0.058 18480 12057 1 17 . 1 1 5 5 SER N N 5 116.285 116.285 119.240 -2.955 18480 12058 1 17 . 1 1 5 5 SER HA H 5 4.352 4.352 4.699 -0.347 18480 12059 1 17 . 1 1 5 5 SER CA C 5 58.593 58.593 58.273 0.320 18480 12060 1 17 . 1 1 5 5 SER CB C 5 63.633 63.633 62.992 0.641 18480 12061 1 17 . 1 1 5 5 SER H H 5 8.280 8.280 8.668 -0.388 18480 12062 1 17 . 1 1 6 6 HIS N N 6 119.777 119.777 124.619 -4.842 18480 12063 1 17 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.729 0.009 18480 12064 1 17 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.303 0.041 18480 12065 1 17 . 1 1 6 6 HIS CB C 6 29.328 29.328 32.972 -3.644 18480 12066 1 17 . 1 1 6 6 HIS H H 6 8.460 8.460 8.298 0.162 18480 12067 1 17 . 1 1 7 7 THR N N 7 115.111 115.111 117.833 -2.722 18480 12068 1 17 . 1 1 7 7 THR HA H 7 4.217 4.217 4.213 0.004 18480 12069 1 17 . 1 1 7 7 THR C C 7 173.970 173.970 173.873 0.097 18480 12070 1 17 . 1 1 7 7 THR CA C 7 62.118 62.118 62.804 -0.686 18480 12071 1 17 . 1 1 7 7 THR CB C 7 69.871 69.871 69.002 0.869 18480 12072 1 17 . 1 1 7 7 THR H H 7 8.202 8.202 8.490 -0.288 18480 12073 1 17 . 1 1 8 8 THR N N 8 113.695 113.695 116.428 -2.733 18480 12074 1 17 . 1 1 8 8 THR HA H 8 4.439 4.439 4.437 0.002 18480 12075 1 17 . 1 1 8 8 THR C C 8 172.664 172.664 173.325 -0.661 18480 12076 1 17 . 1 1 8 8 THR CA C 8 58.847 58.847 58.533 0.314 18480 12077 1 17 . 1 1 8 8 THR CB C 8 62.183 62.183 69.485 -7.302 18480 12078 1 17 . 1 1 8 8 THR H H 8 8.113 8.113 7.579 0.534 18480 12079 1 17 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.294 -0.329 18480 12080 1 17 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.170 -0.734 18480 12081 1 17 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.324 -0.153 18480 12082 1 17 . 1 1 10 10 TRP N N 10 108.872 108.872 111.406 -2.534 18480 12083 1 17 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.956 -0.367 18480 12084 1 17 . 1 1 10 10 TRP C C 10 175.817 175.817 175.770 0.047 18480 12085 1 17 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.757 0.415 18480 12086 1 17 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.281 -1.306 18480 12087 1 17 . 1 1 10 10 TRP H H 10 6.511 6.511 6.993 -0.482 18480 12088 1 17 . 1 1 11 11 THR N N 11 113.736 113.736 116.801 -3.065 18480 12089 1 17 . 1 1 11 11 THR HA H 11 3.899 3.899 4.166 -0.267 18480 12090 1 17 . 1 1 11 11 THR C C 11 173.970 173.970 174.101 -0.131 18480 12091 1 17 . 1 1 11 11 THR CA C 11 65.731 65.731 64.609 1.122 18480 12092 1 17 . 1 1 11 11 THR CB C 11 69.609 69.609 68.750 0.859 18480 12093 1 17 . 1 1 11 11 THR H H 11 7.310 7.310 7.570 -0.260 18480 12094 1 17 . 1 1 12 12 ASN N N 12 112.814 112.814 114.481 -1.667 18480 12095 1 17 . 1 1 12 12 ASN HA H 12 4.672 4.672 4.941 -0.269 18480 12096 1 17 . 1 1 12 12 ASN C C 12 172.889 172.889 172.600 0.289 18480 12097 1 17 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.685 0.443 18480 12098 1 17 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.114 0.585 18480 12099 1 17 . 1 1 12 12 ASN H H 12 7.234 7.234 7.371 -0.137 18480 12100 1 17 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.504 -0.422 18480 12101 1 17 . 1 1 13 13 PRO CA C 13 65.642 65.642 63.996 1.646 18480 12102 1 17 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.714 0.339 18480 12103 1 17 . 1 1 14 14 GLY N N 14 107.424 107.424 105.167 2.257 18480 12104 1 17 . 1 1 14 14 GLY C C 14 175.952 175.952 174.729 1.223 18480 12105 1 17 . 1 1 14 14 GLY CA C 14 47.190 47.190 45.120 2.070 18480 12106 1 17 . 1 1 14 14 GLY H H 14 8.288 8.288 8.073 0.215 18480 12107 1 17 . 1 1 15 15 LEU N N 15 122.906 122.906 119.254 3.652 18480 12108 1 17 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.598 -0.568 18480 12109 1 17 . 1 1 15 15 LEU C C 15 178.564 178.564 177.171 1.393 18480 12110 1 17 . 1 1 15 15 LEU CA C 15 57.876 57.876 54.673 3.203 18480 12111 1 17 . 1 1 15 15 LEU CB C 15 42.316 42.316 44.192 -1.876 18480 12112 1 17 . 1 1 15 15 LEU H H 15 7.956 7.956 7.546 0.410 18480 12113 1 17 . 1 1 16 16 ALA N N 16 122.949 122.949 122.924 0.025 18480 12114 1 17 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.290 -0.185 18480 12115 1 17 . 1 1 16 16 ALA C C 16 179.104 179.104 179.078 0.026 18480 12116 1 17 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.380 0.600 18480 12117 1 17 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.901 0.234 18480 12118 1 17 . 1 1 16 16 ALA H H 16 7.598 7.598 7.625 -0.027 18480 12119 1 17 . 1 1 17 17 GLU N N 17 116.632 116.632 116.188 0.444 18480 12120 1 17 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.120 -0.300 18480 12121 1 17 . 1 1 17 17 GLU C C 17 177.993 177.993 178.374 -0.381 18480 12122 1 17 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.640 0.409 18480 12123 1 17 . 1 1 17 17 GLU CB C 17 28.721 28.721 28.436 0.285 18480 12124 1 17 . 1 1 17 17 GLU H H 17 8.097 8.097 8.462 -0.365 18480 12125 1 17 . 1 1 18 18 ASN N N 18 117.645 117.645 119.899 -2.254 18480 12126 1 17 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.390 0.037 18480 12127 1 17 . 1 1 18 18 ASN C C 18 178.347 178.347 177.484 0.863 18480 12128 1 17 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.313 -0.219 18480 12129 1 17 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.102 0.022 18480 12130 1 17 . 1 1 18 18 ASN H H 18 8.196 8.196 7.882 0.314 18480 12131 1 17 . 1 1 19 19 PHE N N 19 123.188 123.188 121.609 1.579 18480 12132 1 17 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.148 -0.197 18480 12133 1 17 . 1 1 19 19 PHE C C 19 176.837 176.837 177.366 -0.529 18480 12134 1 17 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.224 -0.327 18480 12135 1 17 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.936 0.793 18480 12136 1 17 . 1 1 19 19 PHE H H 19 8.868 8.868 8.241 0.627 18480 12137 1 17 . 1 1 20 20 MET N N 20 118.140 118.140 116.909 1.231 18480 12138 1 17 . 1 1 20 20 MET HA H 20 3.303 3.303 3.620 -0.317 18480 12139 1 17 . 1 1 20 20 MET C C 20 178.924 178.924 178.171 0.753 18480 12140 1 17 . 1 1 20 20 MET CA C 20 60.043 60.043 59.311 0.732 18480 12141 1 17 . 1 1 20 20 MET CB C 20 33.527 33.527 31.645 1.883 18480 12142 1 17 . 1 1 20 20 MET H H 20 7.644 7.644 7.426 0.218 18480 12143 1 17 . 1 1 21 21 ASN N N 21 116.213 116.213 119.010 -2.797 18480 12144 1 17 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.415 0.038 18480 12145 1 17 . 1 1 21 21 ASN C C 21 178.249 178.249 177.983 0.266 18480 12146 1 17 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.638 -0.689 18480 12147 1 17 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.379 -0.282 18480 12148 1 17 . 1 1 21 21 ASN H H 21 8.169 8.169 8.127 0.042 18480 12149 1 17 . 1 1 22 22 SER N N 22 117.086 117.086 116.394 0.692 18480 12150 1 17 . 1 1 22 22 SER HA H 22 4.152 4.152 4.169 -0.017 18480 12151 1 17 . 1 1 22 22 SER C C 22 178.143 178.143 176.056 2.087 18480 12152 1 17 . 1 1 22 22 SER CA C 22 62.154 62.154 61.903 0.251 18480 12153 1 17 . 1 1 22 22 SER CB C 22 62.709 62.709 62.996 -0.287 18480 12154 1 17 . 1 1 22 22 SER H H 22 8.650 8.650 8.454 0.196 18480 12155 1 17 . 1 1 23 23 PHE N N 23 124.044 124.044 124.749 -0.705 18480 12156 1 17 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.187 -0.319 18480 12157 1 17 . 1 1 23 23 PHE C C 23 175.652 175.652 176.910 -1.258 18480 12158 1 17 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.956 1.162 18480 12159 1 17 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.138 -0.888 18480 12160 1 17 . 1 1 23 23 PHE H H 23 8.394 8.394 8.046 0.348 18480 12161 1 17 . 1 1 24 24 MET N N 24 117.794 117.794 117.140 0.654 18480 12162 1 17 . 1 1 24 24 MET HA H 24 4.177 4.177 3.828 0.349 18480 12163 1 17 . 1 1 24 24 MET C C 24 179.797 179.797 178.622 1.175 18480 12164 1 17 . 1 1 24 24 MET CA C 24 56.498 56.498 57.151 -0.653 18480 12165 1 17 . 1 1 24 24 MET CB C 24 31.903 31.903 31.172 0.731 18480 12166 1 17 . 1 1 24 24 MET H H 24 7.781 7.781 8.098 -0.317 18480 12167 1 17 . 1 1 25 25 GLN N N 25 119.477 119.477 117.911 1.566 18480 12168 1 17 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.018 -0.054 18480 12169 1 17 . 1 1 25 25 GLN C C 25 179.870 179.870 178.120 1.750 18480 12170 1 17 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.280 0.468 18480 12171 1 17 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.147 0.237 18480 12172 1 17 . 1 1 25 25 GLN H H 25 8.233 8.233 7.754 0.479 18480 12173 1 17 . 1 1 26 26 GLY N N 26 107.052 107.052 105.910 1.142 18480 12174 1 17 . 1 1 26 26 GLY C C 26 176.387 176.387 176.292 0.095 18480 12175 1 17 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.879 0.794 18480 12176 1 17 . 1 1 26 26 GLY H H 26 7.936 7.936 7.931 0.005 18480 12177 1 17 . 1 1 27 27 LEU N N 27 122.471 122.471 122.636 -0.165 18480 12178 1 17 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.866 -0.148 18480 12179 1 17 . 1 1 27 27 LEU C C 27 178.564 178.564 178.436 0.128 18480 12180 1 17 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.020 1.173 18480 12181 1 17 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.374 0.319 18480 12182 1 17 . 1 1 27 27 LEU H H 27 8.157 8.157 8.223 -0.066 18480 12183 1 17 . 1 1 28 28 SER N N 28 109.215 109.215 114.197 -4.982 18480 12184 1 17 . 1 1 28 28 SER HA H 28 4.064 4.064 4.259 -0.195 18480 12185 1 17 . 1 1 28 28 SER C C 28 174.421 174.421 175.075 -0.654 18480 12186 1 17 . 1 1 28 28 SER CA C 28 61.444 61.444 60.267 1.177 18480 12187 1 17 . 1 1 28 28 SER CB C 28 63.210 63.210 62.964 0.246 18480 12188 1 17 . 1 1 28 28 SER H H 28 7.469 7.469 8.090 -0.621 18480 12189 1 17 . 1 1 29 29 SER N N 29 114.308 114.308 115.130 -0.822 18480 12190 1 17 . 1 1 29 29 SER HA H 29 4.667 4.667 4.586 0.081 18480 12191 1 17 . 1 1 29 29 SER C C 29 173.970 173.970 173.163 0.807 18480 12192 1 17 . 1 1 29 29 SER CA C 29 57.914 57.914 57.816 0.098 18480 12193 1 17 . 1 1 29 29 SER CB C 29 64.359 64.359 63.570 0.789 18480 12194 1 17 . 1 1 29 29 SER H H 29 7.383 7.383 7.461 -0.078 18480 12195 1 17 . 1 1 30 30 MET N N 30 122.604 122.604 122.229 0.375 18480 12196 1 17 . 1 1 30 30 MET HA H 30 4.882 4.882 4.920 -0.038 18480 12197 1 17 . 1 1 30 30 MET C C 30 174.195 174.195 174.447 -0.252 18480 12198 1 17 . 1 1 30 30 MET CA C 30 53.753 53.753 52.074 1.679 18480 12199 1 17 . 1 1 30 30 MET CB C 30 32.013 32.013 32.145 -0.133 18480 12200 1 17 . 1 1 30 30 MET H H 30 7.804 7.804 7.442 0.362 18480 12201 1 17 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.680 -0.014 18480 12202 1 17 . 1 1 31 31 PRO CA C 31 63.697 63.697 62.896 0.801 18480 12203 1 17 . 1 1 31 31 PRO CB C 31 32.953 32.953 33.047 -0.095 18480 12204 1 17 . 1 1 32 32 GLY N N 32 104.648 104.648 108.029 -3.381 18480 12205 1 17 . 1 1 32 32 GLY C C 32 172.454 172.454 174.718 -2.264 18480 12206 1 17 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.233 0.188 18480 12207 1 17 . 1 1 32 32 GLY H H 32 8.363 8.363 8.790 -0.427 18480 12208 1 17 . 1 1 33 33 PHE N N 33 116.917 116.917 123.566 -6.649 18480 12209 1 17 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.616 0.671 18480 12210 1 17 . 1 1 33 33 PHE C C 33 176.387 176.387 175.895 0.492 18480 12211 1 17 . 1 1 33 33 PHE CA C 33 56.902 56.902 58.716 -1.814 18480 12212 1 17 . 1 1 33 33 PHE CB C 33 42.290 42.290 39.693 2.597 18480 12213 1 17 . 1 1 33 33 PHE H H 33 8.118 8.118 7.657 0.461 18480 12214 1 17 . 1 1 34 34 THR N N 34 113.457 113.457 115.755 -2.298 18480 12215 1 17 . 1 1 34 34 THR HA H 34 4.494 4.494 4.480 0.014 18480 12216 1 17 . 1 1 34 34 THR C C 34 175.066 175.066 175.435 -0.369 18480 12217 1 17 . 1 1 34 34 THR CA C 34 59.946 59.946 60.335 -0.389 18480 12218 1 17 . 1 1 34 34 THR CB C 34 70.967 70.967 70.017 0.950 18480 12219 1 17 . 1 1 34 34 THR H H 34 8.727 8.727 7.807 0.920 18480 12220 1 17 . 1 1 35 35 ALA N N 35 122.737 122.737 123.334 -0.597 18480 12221 1 17 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.118 -0.033 18480 12222 1 17 . 1 1 35 35 ALA C C 35 180.755 180.755 178.778 1.977 18480 12223 1 17 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.218 0.305 18480 12224 1 17 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.061 0.009 18480 12225 1 17 . 1 1 35 35 ALA H H 35 8.913 8.913 8.613 0.300 18480 12226 1 17 . 1 1 36 36 SER N N 36 113.331 113.331 112.171 1.160 18480 12227 1 17 . 1 1 36 36 SER HA H 36 4.244 4.244 4.904 -0.660 18480 12228 1 17 . 1 1 36 36 SER C C 36 177.033 177.033 174.814 2.219 18480 12229 1 17 . 1 1 36 36 SER CA C 36 61.453 61.453 58.852 2.601 18480 12230 1 17 . 1 1 36 36 SER CB C 36 62.529 62.529 62.247 0.282 18480 12231 1 17 . 1 1 36 36 SER H H 36 8.347 8.347 8.425 -0.078 18480 12232 1 17 . 1 1 37 37 GLN N N 37 122.548 122.548 119.341 3.207 18480 12233 1 17 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.552 -0.493 18480 12234 1 17 . 1 1 37 37 GLN C C 37 179.149 179.149 176.346 2.803 18480 12235 1 17 . 1 1 37 37 GLN CA C 37 58.967 58.967 56.625 2.342 18480 12236 1 17 . 1 1 37 37 GLN CB C 37 28.021 28.021 29.664 -1.643 18480 12237 1 17 . 1 1 37 37 GLN H H 37 7.500 7.500 7.801 -0.301 18480 12238 1 17 . 1 1 38 38 LEU N N 38 117.948 117.948 118.146 -0.198 18480 12239 1 17 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.627 -0.735 18480 12240 1 17 . 1 1 38 38 LEU C C 38 179.675 179.675 177.920 1.755 18480 12241 1 17 . 1 1 38 38 LEU CA C 38 57.959 57.959 55.984 1.975 18480 12242 1 17 . 1 1 38 38 LEU CB C 38 41.493 41.493 43.496 -2.003 18480 12243 1 17 . 1 1 38 38 LEU H H 38 8.217 8.217 7.521 0.696 18480 12244 1 17 . 1 1 39 39 ASP N N 39 120.923 120.923 118.883 2.040 18480 12245 1 17 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.413 -0.002 18480 12246 1 17 . 1 1 39 39 ASP C C 39 179.224 179.224 176.672 2.552 18480 12247 1 17 . 1 1 39 39 ASP CA C 39 57.606 57.606 56.955 0.651 18480 12248 1 17 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.778 1.050 18480 12249 1 17 . 1 1 39 39 ASP H H 39 8.192 8.192 7.929 0.263 18480 12250 1 17 . 1 1 40 40 ASP N N 40 123.608 123.608 116.750 6.858 18480 12251 1 17 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.447 -0.230 18480 12252 1 17 . 1 1 40 40 ASP C C 40 179.600 179.600 177.868 1.732 18480 12253 1 17 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.121 2.519 18480 12254 1 17 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.566 -1.254 18480 12255 1 17 . 1 1 40 40 ASP H H 40 8.366 8.366 8.535 -0.169 18480 12256 1 17 . 1 1 41 41 MET N N 41 118.772 118.772 115.547 3.225 18480 12257 1 17 . 1 1 41 41 MET HA H 41 3.638 3.638 4.368 -0.730 18480 12258 1 17 . 1 1 41 41 MET C C 41 177.693 177.693 178.010 -0.317 18480 12259 1 17 . 1 1 41 41 MET CA C 41 60.513 60.513 58.049 2.464 18480 12260 1 17 . 1 1 41 41 MET CB C 41 34.320 34.320 32.295 2.025 18480 12261 1 17 . 1 1 41 41 MET H H 41 8.423 8.423 7.766 0.657 18480 12262 1 17 . 1 1 42 42 SER N N 42 115.040 115.040 115.606 -0.566 18480 12263 1 17 . 1 1 42 42 SER HA H 42 4.168 4.168 4.228 -0.060 18480 12264 1 17 . 1 1 42 42 SER C C 42 177.483 177.483 176.490 0.993 18480 12265 1 17 . 1 1 42 42 SER CA C 42 61.923 61.923 61.778 0.145 18480 12266 1 17 . 1 1 42 42 SER CB C 42 63.084 63.084 62.610 0.474 18480 12267 1 17 . 1 1 42 42 SER H H 42 8.901 8.901 8.280 0.621 18480 12268 1 17 . 1 1 43 43 THR N N 43 118.747 118.747 118.260 0.487 18480 12269 1 17 . 1 1 43 43 THR HA H 43 3.914 3.914 4.085 -0.171 18480 12270 1 17 . 1 1 43 43 THR C C 43 177.258 177.258 176.726 0.532 18480 12271 1 17 . 1 1 43 43 THR CA C 43 67.017 67.017 66.355 0.662 18480 12272 1 17 . 1 1 43 43 THR CB C 43 69.500 69.500 68.596 0.904 18480 12273 1 17 . 1 1 43 43 THR H H 43 8.479 8.479 7.508 0.971 18480 12274 1 17 . 1 1 44 44 ILE N N 44 121.898 121.898 121.539 0.359 18480 12275 1 17 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.863 -0.160 18480 12276 1 17 . 1 1 44 44 ILE C C 44 178.564 178.564 177.785 0.779 18480 12277 1 17 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.817 -0.752 18480 12278 1 17 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.378 -1.169 18480 12279 1 17 . 1 1 44 44 ILE H H 44 7.807 7.807 7.459 0.348 18480 12280 1 17 . 1 1 45 45 ALA N N 45 124.002 124.002 122.435 1.567 18480 12281 1 17 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.174 -0.132 18480 12282 1 17 . 1 1 45 45 ALA C C 45 179.404 179.404 179.388 0.016 18480 12283 1 17 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.804 0.737 18480 12284 1 17 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.305 0.153 18480 12285 1 17 . 1 1 45 45 ALA H H 45 9.145 9.145 8.614 0.531 18480 12286 1 17 . 1 1 46 46 GLN N N 46 115.753 115.753 116.511 -0.758 18480 12287 1 17 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.119 -0.096 18480 12288 1 17 . 1 1 46 46 GLN C C 46 179.014 179.014 178.461 0.553 18480 12289 1 17 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.128 0.825 18480 12290 1 17 . 1 1 46 46 GLN CB C 46 28.400 28.400 27.863 0.537 18480 12291 1 17 . 1 1 46 46 GLN H H 46 8.459 8.459 8.055 0.404 18480 12292 1 17 . 1 1 47 47 SER N N 47 116.041 116.041 118.077 -2.036 18480 12293 1 17 . 1 1 47 47 SER HA H 47 4.258 4.258 4.246 0.012 18480 12294 1 17 . 1 1 47 47 SER C C 47 177.483 177.483 176.673 0.810 18480 12295 1 17 . 1 1 47 47 SER CA C 47 62.328 62.328 61.350 0.978 18480 12296 1 17 . 1 1 47 47 SER CB C 47 63.154 63.154 63.093 0.061 18480 12297 1 17 . 1 1 47 47 SER H H 47 7.961 7.961 7.657 0.304 18480 12298 1 17 . 1 1 48 48 MET N N 48 122.349 122.349 121.019 1.330 18480 12299 1 17 . 1 1 48 48 MET HA H 48 4.376 4.376 4.308 0.068 18480 12300 1 17 . 1 1 48 48 MET C C 48 177.798 177.798 178.515 -0.717 18480 12301 1 17 . 1 1 48 48 MET CA C 48 58.198 58.198 57.684 0.514 18480 12302 1 17 . 1 1 48 48 MET CB C 48 32.102 32.102 32.000 0.102 18480 12303 1 17 . 1 1 48 48 MET H H 48 8.508 8.508 8.338 0.170 18480 12304 1 17 . 1 1 49 49 VAL N N 49 122.061 122.061 115.527 6.534 18480 12305 1 17 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.632 -0.190 18480 12306 1 17 . 1 1 49 49 VAL C C 49 177.910 177.910 177.868 0.042 18480 12307 1 17 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.274 1.649 18480 12308 1 17 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.099 0.661 18480 12309 1 17 . 1 1 49 49 VAL H H 49 8.541 8.541 7.608 0.933 18480 12310 1 17 . 1 1 50 50 GLN N N 50 118.465 118.465 120.046 -1.581 18480 12311 1 17 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.081 -0.024 18480 12312 1 17 . 1 1 50 50 GLN C C 50 179.449 179.449 178.762 0.687 18480 12313 1 17 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.724 0.301 18480 12314 1 17 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.461 -0.454 18480 12315 1 17 . 1 1 50 50 GLN H H 50 8.165 8.165 7.789 0.376 18480 12316 1 17 . 1 1 51 51 SER N N 51 117.659 117.659 117.839 -0.180 18480 12317 1 17 . 1 1 51 51 SER HA H 51 3.854 3.854 4.172 -0.318 18480 12318 1 17 . 1 1 51 51 SER C C 51 176.374 176.374 176.537 -0.163 18480 12319 1 17 . 1 1 51 51 SER CA C 51 62.642 62.642 62.769 -0.127 18480 12320 1 17 . 1 1 51 51 SER CB C 51 63.039 63.039 62.763 0.276 18480 12321 1 17 . 1 1 51 51 SER H H 51 8.199 8.199 8.073 0.126 18480 12322 1 17 . 1 1 52 52 ILE N N 52 122.930 122.930 122.321 0.609 18480 12323 1 17 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.584 -0.204 18480 12324 1 17 . 1 1 52 52 ILE C C 52 178.684 178.684 177.736 0.948 18480 12325 1 17 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.282 1.032 18480 12326 1 17 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.600 -0.052 18480 12327 1 17 . 1 1 52 52 ILE H H 52 8.068 8.068 7.724 0.344 18480 12328 1 17 . 1 1 53 53 GLN N N 53 118.774 118.774 119.512 -0.738 18480 12329 1 17 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.855 0.058 18480 12330 1 17 . 1 1 53 53 GLN C C 53 179.014 179.014 178.796 0.218 18480 12331 1 17 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.704 -0.536 18480 12332 1 17 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.534 -0.517 18480 12333 1 17 . 1 1 53 53 GLN H H 53 8.459 8.459 8.360 0.099 18480 12334 1 17 . 1 1 54 54 SER N N 54 115.452 115.452 116.536 -1.084 18480 12335 1 17 . 1 1 54 54 SER HA H 54 4.294 4.294 4.182 0.112 18480 12336 1 17 . 1 1 54 54 SER C C 54 176.822 176.822 176.760 0.062 18480 12337 1 17 . 1 1 54 54 SER CA C 54 61.276 61.276 62.358 -1.082 18480 12338 1 17 . 1 1 54 54 SER CB C 54 62.873 62.873 62.923 -0.050 18480 12339 1 17 . 1 1 54 54 SER H H 54 8.330 8.330 8.224 0.106 18480 12340 1 17 . 1 1 55 55 LEU N N 55 121.066 121.066 121.447 -0.381 18480 12341 1 17 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.049 -0.068 18480 12342 1 17 . 1 1 55 55 LEU C C 55 179.434 179.434 178.773 0.661 18480 12343 1 17 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.693 0.283 18480 12344 1 17 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.541 1.065 18480 12345 1 17 . 1 1 55 55 LEU H H 55 8.211 8.211 7.982 0.229 18480 12346 1 17 . 1 1 56 56 ALA N N 56 122.497 122.497 122.322 0.175 18480 12347 1 17 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.116 0.033 18480 12348 1 17 . 1 1 56 56 ALA C C 56 180.530 180.530 179.559 0.971 18480 12349 1 17 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.535 0.534 18480 12350 1 17 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.379 -0.417 18480 12351 1 17 . 1 1 56 56 ALA H H 56 8.902 8.902 8.548 0.354 18480 12352 1 17 . 1 1 57 57 ALA N N 57 122.922 122.922 120.142 2.780 18480 12353 1 17 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.072 0.085 18480 12354 1 17 . 1 1 57 57 ALA C C 57 179.344 179.344 179.525 -0.181 18480 12355 1 17 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.331 0.667 18480 12356 1 17 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.532 -0.503 18480 12357 1 17 . 1 1 57 57 ALA H H 57 8.140 8.140 8.102 0.038 18480 12358 1 17 . 1 1 58 58 GLN N N 58 113.359 113.359 116.343 -2.984 18480 12359 1 17 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.313 0.049 18480 12360 1 17 . 1 1 58 58 GLN C C 58 176.612 176.612 176.818 -0.206 18480 12361 1 17 . 1 1 58 58 GLN CA C 58 55.598 55.598 56.135 -0.537 18480 12362 1 17 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.871 1.204 18480 12363 1 17 . 1 1 58 58 GLN H H 58 7.415 7.415 7.547 -0.132 18480 12364 1 17 . 1 1 59 59 GLY N N 59 109.012 109.012 106.840 2.172 18480 12365 1 17 . 1 1 59 59 GLY C C 59 174.856 174.856 174.708 0.148 18480 12366 1 17 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.136 1.625 18480 12367 1 17 . 1 1 59 59 GLY H H 59 7.979 7.979 8.123 -0.144 18480 12368 1 17 . 1 1 60 60 ARG N N 60 115.906 115.906 116.735 -0.829 18480 12369 1 17 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.571 0.031 18480 12370 1 17 . 1 1 60 60 ARG C C 60 175.847 175.847 175.995 -0.148 18480 12371 1 17 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.074 1.734 18480 12372 1 17 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.290 2.116 18480 12373 1 17 . 1 1 60 60 ARG H H 60 8.126 8.126 8.398 -0.272 18480 12374 1 17 . 1 1 61 61 THR N N 61 107.985 107.985 113.813 -5.828 18480 12375 1 17 . 1 1 61 61 THR HA H 61 4.125 4.125 4.351 -0.226 18480 12376 1 17 . 1 1 61 61 THR C C 61 173.654 173.654 174.129 -0.475 18480 12377 1 17 . 1 1 61 61 THR CA C 61 62.194 62.194 62.132 0.062 18480 12378 1 17 . 1 1 61 61 THR CB C 61 69.512 69.512 69.375 0.137 18480 12379 1 17 . 1 1 61 61 THR H H 61 7.663 7.663 7.731 -0.068 18480 12380 1 17 . 1 1 62 62 SER N N 62 113.733 113.733 117.798 -4.065 18480 12381 1 17 . 1 1 62 62 SER HA H 62 4.973 4.973 4.916 0.057 18480 12382 1 17 . 1 1 62 62 SER C C 62 173.207 173.207 173.371 -0.164 18480 12383 1 17 . 1 1 62 62 SER CA C 62 56.343 56.343 55.391 0.952 18480 12384 1 17 . 1 1 62 62 SER CB C 62 63.992 63.992 65.281 -1.289 18480 12385 1 17 . 1 1 62 62 SER H H 62 7.057 7.057 7.884 -0.827 18480 12386 1 17 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.458 0.244 18480 12387 1 17 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.761 0.539 18480 12388 1 17 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.141 0.095 18480 12389 1 17 . 1 1 64 64 ASN N N 64 114.886 114.886 116.273 -1.387 18480 12390 1 17 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.510 -0.108 18480 12391 1 17 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.826 0.425 18480 12392 1 17 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.520 0.517 18480 12393 1 17 . 1 1 64 64 ASN H H 64 8.642 8.642 8.718 -0.076 18480 12394 1 17 . 1 1 65 65 LYS N N 65 119.774 119.774 120.204 -0.430 18480 12395 1 17 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.184 -0.378 18480 12396 1 17 . 1 1 65 65 LYS C C 65 178.999 178.999 178.647 0.352 18480 12397 1 17 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.164 2.714 18480 12398 1 17 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.185 1.052 18480 12399 1 17 . 1 1 65 65 LYS H H 65 7.882 7.882 7.910 -0.028 18480 12400 1 17 . 1 1 66 66 LEU N N 66 117.686 117.686 119.921 -2.235 18480 12401 1 17 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.028 -0.006 18480 12402 1 17 . 1 1 66 66 LEU C C 66 178.928 178.928 178.555 0.373 18480 12403 1 17 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.563 0.353 18480 12404 1 17 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.985 -0.452 18480 12405 1 17 . 1 1 66 66 LEU H H 66 8.666 8.666 8.246 0.420 18480 12406 1 17 . 1 1 67 67 GLN N N 67 124.469 124.469 119.210 5.259 18480 12407 1 17 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.521 -0.229 18480 12408 1 17 . 1 1 67 67 GLN C C 67 178.789 178.789 177.758 1.031 18480 12409 1 17 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.609 1.282 18480 12410 1 17 . 1 1 67 67 GLN CB C 67 28.159 28.159 27.964 0.195 18480 12411 1 17 . 1 1 67 67 GLN H H 67 8.997 8.997 7.575 1.422 18480 12412 1 17 . 1 1 68 68 ALA N N 68 121.986 121.986 122.783 -0.797 18480 12413 1 17 . 1 1 68 68 ALA HA H 68 3.810 3.810 3.975 -0.165 18480 12414 1 17 . 1 1 68 68 ALA C C 68 180.320 180.320 179.631 0.689 18480 12415 1 17 . 1 1 68 68 ALA CA C 68 55.503 55.503 55.135 0.368 18480 12416 1 17 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.030 0.182 18480 12417 1 17 . 1 1 68 68 ALA H H 68 7.427 7.427 7.725 -0.298 18480 12418 1 17 . 1 1 69 69 LEU N N 69 118.881 118.881 117.631 1.250 18480 12419 1 17 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.030 0.022 18480 12420 1 17 . 1 1 69 69 LEU C C 69 178.864 178.864 178.942 -0.078 18480 12421 1 17 . 1 1 69 69 LEU CA C 69 57.747 57.747 57.156 0.591 18480 12422 1 17 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.334 0.560 18480 12423 1 17 . 1 1 69 69 LEU H H 69 8.143 8.143 7.603 0.540 18480 12424 1 17 . 1 1 70 70 ASN N N 70 119.848 119.848 119.338 0.510 18480 12425 1 17 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.503 -0.112 18480 12426 1 17 . 1 1 70 70 ASN C C 70 177.483 177.483 177.528 -0.045 18480 12427 1 17 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.722 1.062 18480 12428 1 17 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.770 0.702 18480 12429 1 17 . 1 1 70 70 ASN H H 70 8.456 8.456 7.658 0.798 18480 12430 1 17 . 1 1 71 71 MET N N 71 118.843 118.843 118.716 0.127 18480 12431 1 17 . 1 1 71 71 MET HA H 71 4.769 4.769 4.364 0.405 18480 12432 1 17 . 1 1 71 71 MET C C 71 178.279 178.279 178.632 -0.353 18480 12433 1 17 . 1 1 71 71 MET CA C 71 56.415 56.415 57.528 -1.113 18480 12434 1 17 . 1 1 71 71 MET CB C 71 29.788 29.788 31.499 -1.711 18480 12435 1 17 . 1 1 71 71 MET H H 71 7.757 7.757 8.384 -0.627 18480 12436 1 17 . 1 1 72 72 ALA N N 72 126.265 126.265 123.005 3.260 18480 12437 1 17 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.053 0.189 18480 12438 1 17 . 1 1 72 72 ALA C C 72 179.059 179.059 179.466 -0.407 18480 12439 1 17 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.213 -0.087 18480 12440 1 17 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.919 1.004 18480 12441 1 17 . 1 1 72 72 ALA H H 72 8.559 8.559 8.406 0.153 18480 12442 1 17 . 1 1 73 73 PHE N N 73 118.887 118.887 119.784 -0.897 18480 12443 1 17 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.109 -0.046 18480 12444 1 17 . 1 1 73 73 PHE C C 73 177.258 177.258 176.632 0.626 18480 12445 1 17 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.647 0.425 18480 12446 1 17 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.154 0.151 18480 12447 1 17 . 1 1 73 73 PHE H H 73 8.337 8.337 8.040 0.297 18480 12448 1 17 . 1 1 74 74 ALA N N 74 122.360 122.360 121.650 0.710 18480 12449 1 17 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.633 -0.402 18480 12450 1 17 . 1 1 74 74 ALA C C 74 179.374 179.374 179.639 -0.265 18480 12451 1 17 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.873 0.943 18480 12452 1 17 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.221 0.660 18480 12453 1 17 . 1 1 74 74 ALA H H 74 8.540 8.540 8.375 0.165 18480 12454 1 17 . 1 1 75 75 SER N N 75 112.265 112.265 114.439 -2.174 18480 12455 1 17 . 1 1 75 75 SER HA H 75 3.858 3.858 4.162 -0.304 18480 12456 1 17 . 1 1 75 75 SER CA C 75 62.251 62.251 62.540 -0.289 18480 12457 1 17 . 1 1 75 75 SER CB C 75 62.874 62.874 62.948 -0.074 18480 12458 1 17 . 1 1 75 75 SER H H 75 8.859 8.859 8.667 0.192 18480 12459 1 17 . 1 1 76 76 SER N N 76 118.859 118.859 118.518 0.341 18480 12460 1 17 . 1 1 76 76 SER HA H 76 3.964 3.964 4.488 -0.524 18480 12461 1 17 . 1 1 76 76 SER CA C 76 63.066 63.066 60.492 2.574 18480 12462 1 17 . 1 1 76 76 SER CB C 76 63.377 63.377 62.746 0.631 18480 12463 1 17 . 1 1 76 76 SER H H 76 8.065 8.065 7.689 0.376 18480 12464 1 17 . 1 1 77 77 MET N N 77 120.030 120.030 120.429 -0.399 18480 12465 1 17 . 1 1 77 77 MET HA H 77 4.234 4.234 4.088 0.146 18480 12466 1 17 . 1 1 77 77 MET C C 77 178.354 178.354 178.296 0.058 18480 12467 1 17 . 1 1 77 77 MET CA C 77 57.167 57.167 56.941 0.225 18480 12468 1 17 . 1 1 77 77 MET CB C 77 32.728 32.728 31.137 1.591 18480 12469 1 17 . 1 1 77 77 MET H H 77 7.397 7.397 7.838 -0.441 18480 12470 1 17 . 1 1 78 78 ALA N N 78 119.880 119.880 122.122 -2.242 18480 12471 1 17 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.065 -0.162 18480 12472 1 17 . 1 1 78 78 ALA C C 78 178.354 178.354 178.936 -0.582 18480 12473 1 17 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.173 -0.033 18480 12474 1 17 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.175 0.926 18480 12475 1 17 . 1 1 78 78 ALA H H 78 7.908 7.908 7.998 -0.090 18480 12476 1 17 . 1 1 79 79 GLU N N 79 117.907 117.907 120.197 -2.290 18480 12477 1 17 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.482 0.457 18480 12478 1 17 . 1 1 79 79 GLU C C 79 178.894 178.894 179.354 -0.460 18480 12479 1 17 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.166 0.534 18480 12480 1 17 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.190 0.457 18480 12481 1 17 . 1 1 79 79 GLU H H 79 8.576 8.576 7.956 0.620 18480 12482 1 17 . 1 1 80 80 ILE N N 80 121.918 121.918 120.659 1.259 18480 12483 1 17 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.510 0.092 18480 12484 1 17 . 1 1 80 80 ILE C C 80 179.014 179.014 177.943 1.071 18480 12485 1 17 . 1 1 80 80 ILE CA C 80 65.131 65.131 65.060 0.071 18480 12486 1 17 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.750 -0.125 18480 12487 1 17 . 1 1 80 80 ILE H H 80 8.065 8.065 8.307 -0.242 18480 12488 1 17 . 1 1 81 81 ALA N N 81 120.266 120.266 121.234 -0.968 18480 12489 1 17 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.314 -0.166 18480 12490 1 17 . 1 1 81 81 ALA C C 81 177.258 177.258 179.504 -2.246 18480 12491 1 17 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.573 0.567 18480 12492 1 17 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.586 0.569 18480 12493 1 17 . 1 1 81 81 ALA H H 81 8.169 8.169 7.625 0.544 18480 12494 1 17 . 1 1 82 82 ALA N N 82 114.813 114.813 119.961 -5.148 18480 12495 1 17 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.034 0.017 18480 12496 1 17 . 1 1 82 82 ALA C C 82 177.693 177.693 179.698 -2.005 18480 12497 1 17 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.517 -0.750 18480 12498 1 17 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.731 2.268 18480 12499 1 17 . 1 1 82 82 ALA H H 82 8.019 8.019 8.318 -0.299 18480 12500 1 17 . 1 1 83 83 SER N N 83 110.140 110.140 115.358 -5.218 18480 12501 1 17 . 1 1 83 83 SER HA H 83 4.415 4.415 4.284 0.131 18480 12502 1 17 . 1 1 83 83 SER C C 83 174.856 174.856 175.197 -0.341 18480 12503 1 17 . 1 1 83 83 SER CA C 83 59.772 59.772 61.291 -1.520 18480 12504 1 17 . 1 1 83 83 SER CB C 83 64.952 64.952 63.757 1.196 18480 12505 1 17 . 1 1 83 83 SER H H 83 7.823 7.823 8.295 -0.472 18480 12506 1 17 . 1 1 84 84 GLU N N 84 120.696 120.696 121.762 -1.066 18480 12507 1 17 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.381 0.120 18480 12508 1 17 . 1 1 84 84 GLU C C 84 176.597 176.597 174.851 1.746 18480 12509 1 17 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.681 0.915 18480 12510 1 17 . 1 1 84 84 GLU CB C 84 28.537 28.537 30.143 -1.607 18480 12511 1 17 . 1 1 84 84 GLU H H 84 7.666 7.666 7.710 -0.044 18480 12512 1 17 . 1 1 85 85 GLU N N 85 124.951 124.951 125.182 -0.231 18480 12513 1 17 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.317 -0.055 18480 12514 1 17 . 1 1 85 85 GLU C C 85 177.258 177.258 176.474 0.784 18480 12515 1 17 . 1 1 85 85 GLU CA C 85 56.845 56.845 56.134 0.711 18480 12516 1 17 . 1 1 85 85 GLU CB C 85 30.803 30.803 30.608 0.195 18480 12517 1 17 . 1 1 85 85 GLU H H 85 8.735 8.735 7.986 0.749 18480 12518 1 17 . 1 1 86 86 GLY N N 86 110.356 110.356 110.462 -0.106 18480 12519 1 17 . 1 1 86 86 GLY C C 86 174.856 174.856 173.983 0.873 18480 12520 1 17 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.199 -0.809 18480 12521 1 17 . 1 1 86 86 GLY H H 86 8.609 8.609 8.278 0.331 18480 12522 1 17 . 1 1 87 87 GLY N N 87 107.569 107.569 109.424 -1.855 18480 12523 1 17 . 1 1 87 87 GLY C C 87 174.436 174.436 173.378 1.058 18480 12524 1 17 . 1 1 87 87 GLY CA C 87 44.260 44.260 45.694 -1.434 18480 12525 1 17 . 1 1 87 87 GLY H H 87 7.931 7.931 8.633 -0.702 18480 12526 1 17 . 1 1 88 88 GLY N N 88 109.889 109.889 108.659 1.230 18480 12527 1 17 . 1 1 88 88 GLY C C 88 173.325 173.325 172.932 0.393 18480 12528 1 17 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.324 0.842 18480 12529 1 17 . 1 1 88 88 GLY H H 88 8.650 8.650 8.845 -0.195 18480 12530 1 17 . 1 1 89 89 SER N N 89 114.731 114.731 120.475 -5.744 18480 12531 1 17 . 1 1 89 89 SER HA H 89 4.411 4.411 4.167 0.244 18480 12532 1 17 . 1 1 89 89 SER C C 89 175.066 175.066 175.984 -0.918 18480 12533 1 17 . 1 1 89 89 SER CA C 89 57.363 57.363 57.770 -0.407 18480 12534 1 17 . 1 1 89 89 SER CB C 89 62.483 62.483 64.332 -1.849 18480 12535 1 17 . 1 1 89 89 SER H H 89 8.640 8.640 8.341 0.299 18480 12536 1 17 . 1 1 90 90 LEU N N 90 123.210 123.210 124.008 -0.798 18480 12537 1 17 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.019 -0.044 18480 12538 1 17 . 1 1 90 90 LEU C C 90 179.434 179.434 178.597 0.837 18480 12539 1 17 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.381 -0.038 18480 12540 1 17 . 1 1 90 90 LEU CB C 90 41.364 41.364 40.420 0.944 18480 12541 1 17 . 1 1 90 90 LEU H H 90 8.976 8.976 8.803 0.172 18480 12542 1 17 . 1 1 91 91 SER N N 91 115.789 115.789 111.537 4.252 18480 12543 1 17 . 1 1 91 91 SER HA H 91 4.149 4.149 4.195 -0.046 18480 12544 1 17 . 1 1 91 91 SER C C 91 177.325 177.325 176.820 0.505 18480 12545 1 17 . 1 1 91 91 SER CA C 91 61.794 61.794 61.536 0.258 18480 12546 1 17 . 1 1 91 91 SER CB C 91 62.276 62.276 62.644 -0.368 18480 12547 1 17 . 1 1 91 91 SER H H 91 8.612 8.612 8.442 0.170 18480 12548 1 17 . 1 1 92 92 THR N N 92 122.677 122.677 119.738 2.939 18480 12549 1 17 . 1 1 92 92 THR HA H 92 3.919 3.919 4.051 -0.132 18480 12550 1 17 . 1 1 92 92 THR C C 92 176.162 176.162 176.634 -0.472 18480 12551 1 17 . 1 1 92 92 THR CA C 92 66.719 66.719 66.534 0.185 18480 12552 1 17 . 1 1 92 92 THR CB C 92 68.236 68.236 68.909 -0.673 18480 12553 1 17 . 1 1 92 92 THR H H 92 7.871 7.871 7.596 0.275 18480 12554 1 17 . 1 1 93 93 LYS N N 93 119.820 119.820 120.326 -0.506 18480 12555 1 17 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.249 -0.680 18480 12556 1 17 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.659 0.993 18480 12557 1 17 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.831 1.897 18480 12558 1 17 . 1 1 93 93 LYS H H 93 8.263 8.263 8.594 -0.331 18480 12559 1 17 . 1 1 94 94 THR N N 94 113.759 113.759 116.686 -2.927 18480 12560 1 17 . 1 1 94 94 THR HA H 94 3.692 3.692 4.253 -0.561 18480 12561 1 17 . 1 1 94 94 THR C C 94 177.033 177.033 176.446 0.587 18480 12562 1 17 . 1 1 94 94 THR CA C 94 68.122 68.122 66.734 1.388 18480 12563 1 17 . 1 1 94 94 THR CB C 94 68.342 68.342 68.457 -0.115 18480 12564 1 17 . 1 1 94 94 THR H H 94 8.448 8.448 7.890 0.558 18480 12565 1 17 . 1 1 95 95 SER N N 95 117.547 117.547 117.700 -0.153 18480 12566 1 17 . 1 1 95 95 SER HA H 95 4.262 4.262 4.245 0.017 18480 12567 1 17 . 1 1 95 95 SER C C 95 177.828 177.828 176.967 0.861 18480 12568 1 17 . 1 1 95 95 SER CA C 95 61.758 61.758 61.765 -0.007 18480 12569 1 17 . 1 1 95 95 SER CB C 95 62.667 62.667 62.764 -0.097 18480 12570 1 17 . 1 1 95 95 SER H H 95 8.173 8.173 8.264 -0.091 18480 12571 1 17 . 1 1 96 96 SER N N 96 121.366 121.366 118.061 3.305 18480 12572 1 17 . 1 1 96 96 SER HA H 96 4.035 4.035 4.219 -0.184 18480 12573 1 17 . 1 1 96 96 SER CA C 96 62.467 62.467 61.890 0.577 18480 12574 1 17 . 1 1 96 96 SER CB C 96 61.755 61.755 63.138 -1.383 18480 12575 1 17 . 1 1 96 96 SER H H 96 8.830 8.830 8.239 0.591 18480 12576 1 17 . 1 1 97 97 ILE N N 97 121.943 121.943 122.639 -0.696 18480 12577 1 17 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.734 0.075 18480 12578 1 17 . 1 1 97 97 ILE C C 97 177.693 177.693 177.664 0.029 18480 12579 1 17 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.340 0.702 18480 12580 1 17 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.861 -0.325 18480 12581 1 17 . 1 1 97 97 ILE H H 97 8.380 8.380 7.535 0.845 18480 12582 1 17 . 1 1 98 98 ALA N N 98 122.507 122.507 122.666 -0.159 18480 12583 1 17 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.023 0.017 18480 12584 1 17 . 1 1 98 98 ALA C C 98 180.740 180.740 179.677 1.063 18480 12585 1 17 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.488 0.900 18480 12586 1 17 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.046 0.108 18480 12587 1 17 . 1 1 98 98 ALA H H 98 8.624 8.624 8.535 0.089 18480 12588 1 17 . 1 1 99 99 SER N N 99 115.850 115.850 114.339 1.511 18480 12589 1 17 . 1 1 99 99 SER HA H 99 4.325 4.325 4.187 0.138 18480 12590 1 17 . 1 1 99 99 SER C C 99 177.168 177.168 176.490 0.678 18480 12591 1 17 . 1 1 99 99 SER CA C 99 61.867 61.867 61.134 0.733 18480 12592 1 17 . 1 1 99 99 SER CB C 99 63.200 63.200 62.955 0.245 18480 12593 1 17 . 1 1 99 99 SER H H 99 8.667 8.667 8.151 0.516 18480 12594 1 17 . 1 1 100 100 ALA N N 100 124.410 124.410 124.375 0.035 18480 12595 1 17 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.015 0.127 18480 12596 1 17 . 1 1 100 100 ALA CA C 100 55.388 55.388 55.033 0.355 18480 12597 1 17 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.261 0.366 18480 12598 1 17 . 1 1 100 100 ALA H H 100 8.744 8.744 7.815 0.929 18480 12599 1 17 . 1 1 101 101 MET N N 101 119.346 119.346 118.127 1.219 18480 12600 1 17 . 1 1 101 101 MET HA H 101 4.368 4.368 4.317 0.051 18480 12601 1 17 . 1 1 101 101 MET CA C 101 59.163 59.163 57.947 1.216 18480 12602 1 17 . 1 1 101 101 MET CB C 101 33.233 33.233 31.875 1.358 18480 12603 1 17 . 1 1 101 101 MET H H 101 9.152 9.152 8.883 0.269 18480 12604 1 17 . 1 1 102 102 SER N N 102 117.124 117.124 115.540 1.584 18480 12605 1 17 . 1 1 102 102 SER HA H 102 4.382 4.382 4.386 -0.004 18480 12606 1 17 . 1 1 102 102 SER CA C 102 63.424 63.424 62.316 1.108 18480 12607 1 17 . 1 1 102 102 SER CB C 102 62.639 62.639 63.021 -0.382 18480 12608 1 17 . 1 1 102 102 SER H H 102 8.766 8.766 8.358 0.408 18480 12609 1 17 . 1 1 103 103 ASN N N 103 118.601 118.601 120.215 -1.614 18480 12610 1 17 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.486 -0.020 18480 12611 1 17 . 1 1 103 103 ASN CA C 103 56.639 56.639 56.036 0.603 18480 12612 1 17 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.533 -0.226 18480 12613 1 17 . 1 1 103 103 ASN H H 103 8.298 8.298 8.314 -0.016 18480 12614 1 17 . 1 1 104 104 ALA N N 104 122.821 122.821 120.861 1.960 18480 12615 1 17 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.922 0.317 18480 12616 1 17 . 1 1 104 104 ALA C C 104 181.701 181.701 179.137 2.564 18480 12617 1 17 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.618 0.654 18480 12618 1 17 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.850 0.324 18480 12619 1 17 . 1 1 104 104 ALA H H 104 7.969 7.969 7.994 -0.025 18480 12620 1 17 . 1 1 105 105 PHE N N 105 119.585 119.585 116.991 2.594 18480 12621 1 17 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.591 -0.383 18480 12622 1 17 . 1 1 105 105 PHE C C 105 179.224 179.224 178.014 1.210 18480 12623 1 17 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.575 2.547 18480 12624 1 17 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.212 0.355 18480 12625 1 17 . 1 1 105 105 PHE H H 105 8.647 8.647 8.055 0.592 18480 12626 1 17 . 1 1 106 106 LEU N N 106 121.925 121.925 118.477 3.448 18480 12627 1 17 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.189 -0.490 18480 12628 1 17 . 1 1 106 106 LEU C C 106 179.074 179.074 179.212 -0.138 18480 12629 1 17 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.769 1.286 18480 12630 1 17 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.134 0.328 18480 12631 1 17 . 1 1 106 106 LEU H H 106 8.450 8.450 7.709 0.741 18480 12632 1 17 . 1 1 107 107 GLN N N 107 115.214 115.214 117.980 -2.766 18480 12633 1 17 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.213 -0.111 18480 12634 1 17 . 1 1 107 107 GLN C C 107 176.822 176.822 177.173 -0.351 18480 12635 1 17 . 1 1 107 107 GLN CA C 107 57.586 57.586 58.289 -0.703 18480 12636 1 17 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.400 0.879 18480 12637 1 17 . 1 1 107 107 GLN H H 107 8.444 8.444 7.830 0.614 18480 12638 1 17 . 1 1 108 108 THR N N 108 109.014 109.014 112.139 -3.125 18480 12639 1 17 . 1 1 108 108 THR HA H 108 4.369 4.369 4.326 0.043 18480 12640 1 17 . 1 1 108 108 THR C C 108 175.952 175.952 176.035 -0.083 18480 12641 1 17 . 1 1 108 108 THR CA C 108 63.658 63.658 64.139 -0.481 18480 12642 1 17 . 1 1 108 108 THR CB C 108 70.179 70.179 69.204 0.975 18480 12643 1 17 . 1 1 108 108 THR H H 108 7.631 7.631 7.332 0.299 18480 12644 1 17 . 1 1 109 109 THR N N 109 110.844 110.844 113.634 -2.790 18480 12645 1 17 . 1 1 109 109 THR HA H 109 4.477 4.477 4.343 0.134 18480 12646 1 17 . 1 1 109 109 THR C C 109 176.162 176.162 176.190 -0.028 18480 12647 1 17 . 1 1 109 109 THR CA C 109 61.728 61.728 62.643 -0.915 18480 12648 1 17 . 1 1 109 109 THR CB C 109 70.659 70.659 69.806 0.852 18480 12649 1 17 . 1 1 109 109 THR H H 109 8.623 8.623 7.818 0.805 18480 12650 1 17 . 1 1 110 110 GLY N N 110 109.549 109.549 110.035 -0.486 18480 12651 1 17 . 1 1 110 110 GLY C C 110 172.889 172.889 173.539 -0.650 18480 12652 1 17 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.901 0.642 18480 12653 1 17 . 1 1 110 110 GLY H H 110 8.113 8.113 8.215 -0.102 18480 12654 1 17 . 1 1 111 111 VAL N N 111 118.903 118.903 118.963 -0.060 18480 12655 1 17 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.509 -0.253 18480 12656 1 17 . 1 1 111 111 VAL C C 111 174.421 174.421 173.617 0.804 18480 12657 1 17 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.236 0.526 18480 12658 1 17 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.516 0.994 18480 12659 1 17 . 1 1 111 111 VAL H H 111 7.724 7.724 7.588 0.136 18480 12660 1 17 . 1 1 112 112 VAL N N 112 124.398 124.398 122.710 1.688 18480 12661 1 17 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.056 -0.823 18480 12662 1 17 . 1 1 112 112 VAL C C 112 174.646 174.646 173.696 0.950 18480 12663 1 17 . 1 1 112 112 VAL CA C 112 63.735 63.735 59.806 3.929 18480 12664 1 17 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.786 -1.980 18480 12665 1 17 . 1 1 112 112 VAL H H 112 8.627 8.627 8.294 0.333 18480 12666 1 17 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.804 -0.235 18480 12667 1 17 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.106 -0.899 18480 12668 1 17 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.143 -0.762 18480 12669 1 17 . 1 1 114 114 GLN N N 114 125.364 125.364 125.793 -0.429 18480 12670 1 17 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.040 -0.100 18480 12671 1 17 . 1 1 114 114 GLN C C 114 174.811 174.811 175.299 -0.488 18480 12672 1 17 . 1 1 114 114 GLN CA C 114 59.636 59.636 61.310 -1.674 18480 12673 1 17 . 1 1 114 114 GLN CB C 114 26.092 26.092 26.670 -0.578 18480 12674 1 17 . 1 1 114 114 GLN H H 114 8.731 8.731 8.903 -0.172 18480 12675 1 17 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.179 0.089 18480 12676 1 17 . 1 1 115 115 PRO CA C 115 66.661 66.661 66.230 0.432 18480 12677 1 17 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.280 -0.083 18480 12678 1 17 . 1 1 116 116 PHE N N 116 118.102 118.102 117.803 0.299 18480 12679 1 17 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.242 0.019 18480 12680 1 17 . 1 1 116 116 PHE C C 116 176.597 176.597 177.511 -0.914 18480 12681 1 17 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.733 -0.443 18480 12682 1 17 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.228 0.352 18480 12683 1 17 . 1 1 116 116 PHE H H 116 7.712 7.712 7.708 0.004 18480 12684 1 17 . 1 1 117 117 ILE N N 117 118.950 118.950 118.350 0.600 18480 12685 1 17 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.833 -0.179 18480 12686 1 17 . 1 1 117 117 ILE C C 117 178.789 178.789 178.310 0.479 18480 12687 1 17 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.876 0.764 18480 12688 1 17 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.834 -0.320 18480 12689 1 17 . 1 1 117 117 ILE H H 117 7.747 7.747 7.447 0.300 18480 12690 1 17 . 1 1 118 118 ASN N N 118 119.204 119.204 118.636 0.568 18480 12691 1 17 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.467 -0.100 18480 12692 1 17 . 1 1 118 118 ASN C C 118 177.033 177.033 178.208 -1.175 18480 12693 1 17 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.002 -0.222 18480 12694 1 17 . 1 1 118 118 ASN CB C 118 37.485 37.485 37.881 -0.396 18480 12695 1 17 . 1 1 118 118 ASN H H 118 8.847 8.847 8.651 0.196 18480 12696 1 17 . 1 1 119 119 GLU N N 119 120.684 120.684 119.707 0.977 18480 12697 1 17 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.018 -0.053 18480 12698 1 17 . 1 1 119 119 GLU C C 119 178.564 178.564 178.542 0.022 18480 12699 1 17 . 1 1 119 119 GLU CA C 119 59.114 59.114 59.263 -0.149 18480 12700 1 17 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.027 -0.509 18480 12701 1 17 . 1 1 119 119 GLU H H 119 8.081 8.081 8.360 -0.279 18480 12702 1 17 . 1 1 120 120 ILE N N 120 118.037 118.037 117.218 0.819 18480 12703 1 17 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.837 -0.265 18480 12704 1 17 . 1 1 120 120 ILE C C 120 178.279 178.279 177.974 0.305 18480 12705 1 17 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.472 -0.374 18480 12706 1 17 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.596 -1.344 18480 12707 1 17 . 1 1 120 120 ILE H H 120 7.948 7.948 7.270 0.678 18480 12708 1 17 . 1 1 121 121 THR N N 121 113.671 113.671 112.332 1.339 18480 12709 1 17 . 1 1 121 121 THR HA H 121 3.804 3.804 4.065 -0.261 18480 12710 1 17 . 1 1 121 121 THR C C 121 177.258 177.258 176.532 0.726 18480 12711 1 17 . 1 1 121 121 THR CA C 121 66.771 66.771 65.674 1.097 18480 12712 1 17 . 1 1 121 121 THR CB C 121 68.293 68.293 68.280 0.013 18480 12713 1 17 . 1 1 121 121 THR H H 121 8.345 8.345 7.769 0.576 18480 12714 1 17 . 1 1 122 122 GLN N N 122 121.849 121.849 120.978 0.871 18480 12715 1 17 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.185 -0.186 18480 12716 1 17 . 1 1 122 122 GLN C C 122 179.014 179.014 178.115 0.899 18480 12717 1 17 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.733 0.033 18480 12718 1 17 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.495 -0.063 18480 12719 1 17 . 1 1 122 122 GLN H H 122 7.589 7.589 7.491 0.098 18480 12720 1 17 . 1 1 123 123 LEU N N 123 120.855 120.855 120.948 -0.093 18480 12721 1 17 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.761 -0.343 18480 12722 1 17 . 1 1 123 123 LEU C C 123 178.354 178.354 178.650 -0.296 18480 12723 1 17 . 1 1 123 123 LEU CA C 123 57.816 57.816 58.011 -0.195 18480 12724 1 17 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.532 -0.680 18480 12725 1 17 . 1 1 123 123 LEU H H 123 8.081 8.081 7.521 0.560 18480 12726 1 17 . 1 1 124 124 VAL N N 124 115.864 115.864 118.130 -2.266 18480 12727 1 17 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.814 -0.464 18480 12728 1 17 . 1 1 124 124 VAL C C 124 177.453 177.453 178.631 -1.178 18480 12729 1 17 . 1 1 124 124 VAL CA C 124 67.473 67.473 65.907 1.566 18480 12730 1 17 . 1 1 124 124 VAL CB C 124 31.606 31.606 30.668 0.939 18480 12731 1 17 . 1 1 124 124 VAL H H 124 7.574 7.574 7.898 -0.324 18480 12732 1 17 . 1 1 125 125 SER N N 125 110.334 110.334 114.642 -4.308 18480 12733 1 17 . 1 1 125 125 SER HA H 125 4.054 4.054 4.105 -0.051 18480 12734 1 17 . 1 1 125 125 SER C C 125 175.937 175.937 176.666 -0.729 18480 12735 1 17 . 1 1 125 125 SER CA C 125 61.763 61.763 61.602 0.161 18480 12736 1 17 . 1 1 125 125 SER CB C 125 62.864 62.864 63.136 -0.272 18480 12737 1 17 . 1 1 125 125 SER H H 125 6.950 6.950 7.374 -0.424 18480 12738 1 17 . 1 1 126 126 MET N N 126 121.750 121.750 119.258 2.492 18480 12739 1 17 . 1 1 126 126 MET HA H 126 3.951 3.951 4.127 -0.176 18480 12740 1 17 . 1 1 126 126 MET C C 126 179.254 179.254 178.330 0.924 18480 12741 1 17 . 1 1 126 126 MET CA C 126 59.246 59.246 58.742 0.504 18480 12742 1 17 . 1 1 126 126 MET CB C 126 33.265 33.265 32.259 1.006 18480 12743 1 17 . 1 1 126 126 MET H H 126 8.113 8.113 7.743 0.370 18480 12744 1 17 . 1 1 127 127 PHE N N 127 118.909 118.909 118.677 0.232 18480 12745 1 17 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.275 0.368 18480 12746 1 17 . 1 1 127 127 PHE C C 127 178.128 178.128 177.427 0.701 18480 12747 1 17 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.287 -3.528 18480 12748 1 17 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.590 -0.529 18480 12749 1 17 . 1 1 127 127 PHE H H 127 8.791 8.791 8.016 0.775 18480 12750 1 17 . 1 1 128 128 ALA N N 128 122.620 122.620 120.521 2.099 18480 12751 1 17 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.415 -0.239 18480 12752 1 17 . 1 1 128 128 ALA C C 128 178.789 178.789 178.580 0.209 18480 12753 1 17 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.324 0.341 18480 12754 1 17 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.473 0.692 18480 12755 1 17 . 1 1 128 128 ALA H H 128 8.235 8.235 7.539 0.696 18480 12756 1 17 . 1 1 129 129 GLN N N 129 116.507 116.507 117.175 -0.668 18480 12757 1 17 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.216 0.009 18480 12758 1 17 . 1 1 129 129 GLN C C 129 177.258 177.258 177.371 -0.113 18480 12759 1 17 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.510 -0.492 18480 12760 1 17 . 1 1 129 129 GLN CB C 129 29.125 29.125 29.030 0.095 18480 12761 1 17 . 1 1 129 129 GLN H H 129 7.715 7.715 7.526 0.189 18480 12762 1 17 . 1 1 130 130 ALA N N 130 122.020 122.020 121.408 0.612 18480 12763 1 17 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.250 -0.030 18480 12764 1 17 . 1 1 130 130 ALA C C 130 178.564 178.564 178.716 -0.152 18480 12765 1 17 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.162 0.644 18480 12766 1 17 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.339 -0.379 18480 12767 1 17 . 1 1 130 130 ALA H H 130 7.775 7.775 7.496 0.279 18480 12768 1 17 . 1 1 131 131 GLY N N 131 106.006 106.006 107.129 -1.123 18480 12769 1 17 . 1 1 131 131 GLY C C 131 173.970 173.970 175.062 -1.092 18480 12770 1 17 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.134 -0.021 18480 12771 1 17 . 1 1 131 131 GLY H H 131 8.110 8.110 7.935 0.175 18480 12772 1 17 . 1 1 132 132 MET N N 132 118.637 118.637 115.355 3.282 18480 12773 1 17 . 1 1 132 132 MET HA H 132 4.401 4.401 4.492 -0.091 18480 12774 1 17 . 1 1 132 132 MET C C 132 175.952 175.952 175.948 0.004 18480 12775 1 17 . 1 1 132 132 MET CA C 132 56.375 56.375 55.207 1.168 18480 12776 1 17 . 1 1 132 132 MET CB C 132 32.939 32.939 30.553 2.386 18480 12777 1 17 . 1 1 132 132 MET H H 132 7.945 7.945 8.324 -0.379 18480 12778 1 17 . 1 1 133 133 ASN N N 133 117.955 117.955 117.255 0.700 18480 12779 1 17 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.569 0.202 18480 12780 1 17 . 1 1 133 133 ASN C C 133 174.646 174.646 175.527 -0.881 18480 12781 1 17 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.901 -0.413 18480 12782 1 17 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.054 1.322 18480 12783 1 17 . 1 1 133 133 ASN H H 133 8.283 8.283 7.772 0.511 18480 12784 1 17 . 1 1 134 134 ASP N N 134 120.891 120.891 121.407 -0.516 18480 12785 1 17 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.564 0.055 18480 12786 1 17 . 1 1 134 134 ASP C C 134 176.162 176.162 177.037 -0.875 18480 12787 1 17 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.316 -0.916 18480 12788 1 17 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.579 -0.406 18480 12789 1 17 . 1 1 134 134 ASP H H 134 8.192 8.192 7.667 0.525 18480 12790 1 17 . 1 1 135 135 VAL N N 135 119.737 119.737 115.782 3.955 18480 12791 1 17 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.619 0.561 18480 12792 1 17 . 1 1 135 135 VAL C C 135 176.162 176.162 175.271 0.891 18480 12793 1 17 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.579 -1.433 18480 12794 1 17 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.863 2.867 18480 12795 1 17 . 1 1 135 135 VAL H H 135 8.056 8.056 7.885 0.171 18480 12796 1 17 . 1 1 136 136 SER N N 136 119.689 119.689 112.113 7.576 18480 12797 1 17 . 1 1 136 136 SER HA H 136 4.427 4.427 4.077 0.350 18480 12798 1 17 . 1 1 136 136 SER C C 136 173.325 173.325 174.519 -1.194 18480 12799 1 17 . 1 1 136 136 SER CA C 136 58.351 58.351 59.591 -1.240 18480 12800 1 17 . 1 1 136 136 SER CB C 136 64.031 64.031 62.458 1.573 18480 12801 1 17 . 1 1 136 136 SER H H 136 8.355 8.355 8.673 -0.318 18480 12802 1 18 . 1 1 3 3 GLY N N 3 110.996 110.996 110.980 0.016 18480 12803 1 18 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.707 0.769 18480 12804 1 18 . 1 1 3 3 GLY H H 3 8.591 8.591 8.251 0.340 18480 12805 1 18 . 1 1 4 4 ASN N N 4 118.637 118.637 121.818 -3.181 18480 12806 1 18 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.790 -0.062 18480 12807 1 18 . 1 1 4 4 ASN CA C 4 53.170 53.170 52.852 0.318 18480 12808 1 18 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.297 -0.233 18480 12809 1 18 . 1 1 4 4 ASN H H 4 8.318 8.318 8.564 -0.246 18480 12810 1 18 . 1 1 5 5 SER N N 5 116.285 116.285 117.102 -0.817 18480 12811 1 18 . 1 1 5 5 SER HA H 5 4.352 4.352 4.727 -0.375 18480 12812 1 18 . 1 1 5 5 SER CA C 5 58.593 58.593 57.967 0.626 18480 12813 1 18 . 1 1 5 5 SER CB C 5 63.633 63.633 64.053 -0.420 18480 12814 1 18 . 1 1 5 5 SER H H 5 8.280 8.280 8.604 -0.324 18480 12815 1 18 . 1 1 6 6 HIS N N 6 119.777 119.777 123.338 -3.561 18480 12816 1 18 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.748 -0.010 18480 12817 1 18 . 1 1 6 6 HIS CA C 6 55.344 55.344 54.399 0.945 18480 12818 1 18 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.938 -2.610 18480 12819 1 18 . 1 1 6 6 HIS H H 6 8.460 8.460 8.551 -0.091 18480 12820 1 18 . 1 1 7 7 THR N N 7 115.111 115.111 118.341 -3.230 18480 12821 1 18 . 1 1 7 7 THR HA H 7 4.217 4.217 4.315 -0.098 18480 12822 1 18 . 1 1 7 7 THR C C 7 173.970 173.970 174.302 -0.332 18480 12823 1 18 . 1 1 7 7 THR CA C 7 62.118 62.118 62.763 -0.645 18480 12824 1 18 . 1 1 7 7 THR CB C 7 69.871 69.871 68.420 1.451 18480 12825 1 18 . 1 1 7 7 THR H H 7 8.202 8.202 8.416 -0.214 18480 12826 1 18 . 1 1 8 8 THR N N 8 113.695 113.695 117.141 -3.446 18480 12827 1 18 . 1 1 8 8 THR HA H 8 4.439 4.439 4.521 -0.082 18480 12828 1 18 . 1 1 8 8 THR C C 8 172.664 172.664 173.016 -0.352 18480 12829 1 18 . 1 1 8 8 THR CA C 8 58.847 58.847 58.128 0.719 18480 12830 1 18 . 1 1 8 8 THR CB C 8 62.183 62.183 69.805 -7.622 18480 12831 1 18 . 1 1 8 8 THR H H 8 8.113 8.113 7.554 0.559 18480 12832 1 18 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.223 -0.259 18480 12833 1 18 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.602 -1.166 18480 12834 1 18 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.435 -0.264 18480 12835 1 18 . 1 1 10 10 TRP N N 10 108.872 108.872 111.011 -2.139 18480 12836 1 18 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.957 -0.368 18480 12837 1 18 . 1 1 10 10 TRP C C 10 175.817 175.817 176.347 -0.530 18480 12838 1 18 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.576 0.596 18480 12839 1 18 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.855 -0.880 18480 12840 1 18 . 1 1 10 10 TRP H H 10 6.511 6.511 7.036 -0.525 18480 12841 1 18 . 1 1 11 11 THR N N 11 113.736 113.736 116.434 -2.698 18480 12842 1 18 . 1 1 11 11 THR HA H 11 3.899 3.899 4.135 -0.236 18480 12843 1 18 . 1 1 11 11 THR C C 11 173.970 173.970 174.107 -0.137 18480 12844 1 18 . 1 1 11 11 THR CA C 11 65.731 65.731 65.353 0.378 18480 12845 1 18 . 1 1 11 11 THR CB C 11 69.609 69.609 69.224 0.385 18480 12846 1 18 . 1 1 11 11 THR H H 11 7.310 7.310 7.491 -0.181 18480 12847 1 18 . 1 1 12 12 ASN N N 12 112.814 112.814 114.211 -1.397 18480 12848 1 18 . 1 1 12 12 ASN HA H 12 4.672 4.672 4.969 -0.297 18480 12849 1 18 . 1 1 12 12 ASN C C 12 172.889 172.889 173.068 -0.179 18480 12850 1 18 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.916 1.212 18480 12851 1 18 . 1 1 12 12 ASN CB C 12 38.699 38.699 39.511 -0.812 18480 12852 1 18 . 1 1 12 12 ASN H H 12 7.234 7.234 7.625 -0.391 18480 12853 1 18 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.571 -0.489 18480 12854 1 18 . 1 1 13 13 PRO CA C 13 65.642 65.642 63.320 2.322 18480 12855 1 18 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.135 0.918 18480 12856 1 18 . 1 1 14 14 GLY N N 14 107.424 107.424 105.721 1.703 18480 12857 1 18 . 1 1 14 14 GLY C C 14 175.952 175.952 173.826 2.126 18480 12858 1 18 . 1 1 14 14 GLY CA C 14 47.190 47.190 45.244 1.946 18480 12859 1 18 . 1 1 14 14 GLY H H 14 8.288 8.288 8.279 0.009 18480 12860 1 18 . 1 1 15 15 LEU N N 15 122.906 122.906 121.556 1.350 18480 12861 1 18 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.703 -0.673 18480 12862 1 18 . 1 1 15 15 LEU C C 15 178.564 178.564 177.735 0.829 18480 12863 1 18 . 1 1 15 15 LEU CA C 15 57.876 57.876 55.934 1.942 18480 12864 1 18 . 1 1 15 15 LEU CB C 15 42.316 42.316 42.932 -0.616 18480 12865 1 18 . 1 1 15 15 LEU H H 15 7.956 7.956 7.661 0.295 18480 12866 1 18 . 1 1 16 16 ALA N N 16 122.949 122.949 123.882 -0.933 18480 12867 1 18 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.209 -0.104 18480 12868 1 18 . 1 1 16 16 ALA C C 16 179.104 179.104 178.589 0.515 18480 12869 1 18 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.023 0.957 18480 12870 1 18 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.691 0.444 18480 12871 1 18 . 1 1 16 16 ALA H H 16 7.598 7.598 7.727 -0.129 18480 12872 1 18 . 1 1 17 17 GLU N N 17 116.632 116.632 114.608 2.024 18480 12873 1 18 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.098 -0.278 18480 12874 1 18 . 1 1 17 17 GLU C C 17 177.993 177.993 177.743 0.250 18480 12875 1 18 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.232 0.817 18480 12876 1 18 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.089 -0.368 18480 12877 1 18 . 1 1 17 17 GLU H H 17 8.097 8.097 8.634 -0.537 18480 12878 1 18 . 1 1 18 18 ASN N N 18 117.645 117.645 117.653 -0.008 18480 12879 1 18 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.643 -0.216 18480 12880 1 18 . 1 1 18 18 ASN C C 18 178.347 178.347 176.374 1.973 18480 12881 1 18 . 1 1 18 18 ASN CA C 18 56.094 56.094 54.476 1.618 18480 12882 1 18 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.612 -0.488 18480 12883 1 18 . 1 1 18 18 ASN H H 18 8.196 8.196 8.011 0.185 18480 12884 1 18 . 1 1 19 19 PHE N N 19 123.188 123.188 122.886 0.302 18480 12885 1 18 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.147 -0.196 18480 12886 1 18 . 1 1 19 19 PHE C C 19 176.837 176.837 176.833 0.004 18480 12887 1 18 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.801 0.096 18480 12888 1 18 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.198 0.531 18480 12889 1 18 . 1 1 19 19 PHE H H 19 8.868 8.868 7.510 1.358 18480 12890 1 18 . 1 1 20 20 MET N N 20 118.140 118.140 115.052 3.088 18480 12891 1 18 . 1 1 20 20 MET HA H 20 3.303 3.303 3.718 -0.415 18480 12892 1 18 . 1 1 20 20 MET C C 20 178.924 178.924 177.614 1.310 18480 12893 1 18 . 1 1 20 20 MET CA C 20 60.043 60.043 57.409 2.634 18480 12894 1 18 . 1 1 20 20 MET CB C 20 33.527 33.527 30.206 3.321 18480 12895 1 18 . 1 1 20 20 MET H H 20 7.644 7.644 7.981 -0.337 18480 12896 1 18 . 1 1 21 21 ASN N N 21 116.213 116.213 120.767 -4.554 18480 12897 1 18 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.482 -0.029 18480 12898 1 18 . 1 1 21 21 ASN C C 21 178.249 178.249 177.877 0.372 18480 12899 1 18 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.363 -0.414 18480 12900 1 18 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.368 -0.271 18480 12901 1 18 . 1 1 21 21 ASN H H 21 8.169 8.169 7.787 0.382 18480 12902 1 18 . 1 1 22 22 SER N N 22 117.086 117.086 115.048 2.038 18480 12903 1 18 . 1 1 22 22 SER HA H 22 4.152 4.152 4.580 -0.428 18480 12904 1 18 . 1 1 22 22 SER C C 22 178.143 178.143 175.898 2.245 18480 12905 1 18 . 1 1 22 22 SER CA C 22 62.154 62.154 60.498 1.656 18480 12906 1 18 . 1 1 22 22 SER CB C 22 62.709 62.709 62.801 -0.092 18480 12907 1 18 . 1 1 22 22 SER H H 22 8.650 8.650 8.360 0.290 18480 12908 1 18 . 1 1 23 23 PHE N N 23 124.044 124.044 122.648 1.396 18480 12909 1 18 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.317 -0.449 18480 12910 1 18 . 1 1 23 23 PHE C C 23 175.652 175.652 177.162 -1.510 18480 12911 1 18 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.549 1.569 18480 12912 1 18 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.464 -1.214 18480 12913 1 18 . 1 1 23 23 PHE H H 23 8.394 8.394 7.498 0.896 18480 12914 1 18 . 1 1 24 24 MET N N 24 117.794 117.794 116.746 1.048 18480 12915 1 18 . 1 1 24 24 MET HA H 24 4.177 4.177 3.792 0.385 18480 12916 1 18 . 1 1 24 24 MET C C 24 179.797 179.797 177.364 2.433 18480 12917 1 18 . 1 1 24 24 MET CA C 24 56.498 56.498 57.311 -0.813 18480 12918 1 18 . 1 1 24 24 MET CB C 24 31.903 31.903 32.557 -0.654 18480 12919 1 18 . 1 1 24 24 MET H H 24 7.781 7.781 7.892 -0.111 18480 12920 1 18 . 1 1 25 25 GLN N N 25 119.477 119.477 120.221 -0.744 18480 12921 1 18 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.094 -0.130 18480 12922 1 18 . 1 1 25 25 GLN C C 25 179.870 179.870 177.591 2.279 18480 12923 1 18 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.128 0.620 18480 12924 1 18 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.964 0.420 18480 12925 1 18 . 1 1 25 25 GLN H H 25 8.233 8.233 8.052 0.181 18480 12926 1 18 . 1 1 26 26 GLY N N 26 107.052 107.052 106.315 0.737 18480 12927 1 18 . 1 1 26 26 GLY C C 26 176.387 176.387 175.251 1.136 18480 12928 1 18 . 1 1 26 26 GLY CA C 26 46.673 46.673 44.618 2.055 18480 12929 1 18 . 1 1 26 26 GLY H H 26 7.936 7.936 7.723 0.213 18480 12930 1 18 . 1 1 27 27 LEU N N 27 122.471 122.471 123.268 -0.797 18480 12931 1 18 . 1 1 27 27 LEU HA H 27 3.718 3.718 4.062 -0.344 18480 12932 1 18 . 1 1 27 27 LEU C C 27 178.564 178.564 177.979 0.585 18480 12933 1 18 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.470 0.723 18480 12934 1 18 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.619 0.074 18480 12935 1 18 . 1 1 27 27 LEU H H 27 8.157 8.157 7.207 0.950 18480 12936 1 18 . 1 1 28 28 SER N N 28 109.215 109.215 112.647 -3.432 18480 12937 1 18 . 1 1 28 28 SER HA H 28 4.064 4.064 4.342 -0.278 18480 12938 1 18 . 1 1 28 28 SER C C 28 174.421 174.421 175.175 -0.754 18480 12939 1 18 . 1 1 28 28 SER CA C 28 61.444 61.444 59.829 1.615 18480 12940 1 18 . 1 1 28 28 SER CB C 28 63.210 63.210 62.493 0.717 18480 12941 1 18 . 1 1 28 28 SER H H 28 7.469 7.469 7.760 -0.291 18480 12942 1 18 . 1 1 29 29 SER N N 29 114.308 114.308 115.441 -1.133 18480 12943 1 18 . 1 1 29 29 SER HA H 29 4.667 4.667 4.520 0.147 18480 12944 1 18 . 1 1 29 29 SER C C 29 173.970 173.970 174.195 -0.225 18480 12945 1 18 . 1 1 29 29 SER CA C 29 57.914 57.914 58.050 -0.136 18480 12946 1 18 . 1 1 29 29 SER CB C 29 64.359 64.359 64.152 0.207 18480 12947 1 18 . 1 1 29 29 SER H H 29 7.383 7.383 7.572 -0.189 18480 12948 1 18 . 1 1 30 30 MET N N 30 122.604 122.604 123.028 -0.424 18480 12949 1 18 . 1 1 30 30 MET HA H 30 4.882 4.882 4.936 -0.054 18480 12950 1 18 . 1 1 30 30 MET C C 30 174.195 174.195 175.339 -1.144 18480 12951 1 18 . 1 1 30 30 MET CA C 30 53.753 53.753 52.335 1.418 18480 12952 1 18 . 1 1 30 30 MET CB C 30 32.013 32.013 31.442 0.571 18480 12953 1 18 . 1 1 30 30 MET H H 30 7.804 7.804 7.672 0.132 18480 12954 1 18 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.450 0.216 18480 12955 1 18 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.540 -0.843 18480 12956 1 18 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.047 0.905 18480 12957 1 18 . 1 1 32 32 GLY N N 32 104.648 104.648 106.370 -1.722 18480 12958 1 18 . 1 1 32 32 GLY C C 32 172.454 172.454 174.180 -1.726 18480 12959 1 18 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.831 -0.410 18480 12960 1 18 . 1 1 32 32 GLY H H 32 8.363 8.363 8.076 0.287 18480 12961 1 18 . 1 1 33 33 PHE N N 33 116.917 116.917 119.523 -2.606 18480 12962 1 18 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.776 0.511 18480 12963 1 18 . 1 1 33 33 PHE C C 33 176.387 176.387 174.592 1.795 18480 12964 1 18 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.434 -0.532 18480 12965 1 18 . 1 1 33 33 PHE CB C 33 42.290 42.290 40.970 1.320 18480 12966 1 18 . 1 1 33 33 PHE H H 33 8.118 8.118 7.393 0.725 18480 12967 1 18 . 1 1 34 34 THR N N 34 113.457 113.457 112.404 1.053 18480 12968 1 18 . 1 1 34 34 THR HA H 34 4.494 4.494 4.651 -0.157 18480 12969 1 18 . 1 1 34 34 THR C C 34 175.066 175.066 175.224 -0.158 18480 12970 1 18 . 1 1 34 34 THR CA C 34 59.946 59.946 59.681 0.265 18480 12971 1 18 . 1 1 34 34 THR CB C 34 70.967 70.967 71.412 -0.445 18480 12972 1 18 . 1 1 34 34 THR H H 34 8.727 8.727 8.211 0.516 18480 12973 1 18 . 1 1 35 35 ALA N N 35 122.737 122.737 124.042 -1.305 18480 12974 1 18 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.119 -0.034 18480 12975 1 18 . 1 1 35 35 ALA C C 35 180.755 180.755 179.696 1.059 18480 12976 1 18 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.913 0.610 18480 12977 1 18 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.495 -0.426 18480 12978 1 18 . 1 1 35 35 ALA H H 35 8.913 8.913 8.565 0.348 18480 12979 1 18 . 1 1 36 36 SER N N 36 113.331 113.331 112.112 1.219 18480 12980 1 18 . 1 1 36 36 SER HA H 36 4.244 4.244 4.284 -0.040 18480 12981 1 18 . 1 1 36 36 SER C C 36 177.033 177.033 176.529 0.504 18480 12982 1 18 . 1 1 36 36 SER CA C 36 61.453 61.453 60.607 0.846 18480 12983 1 18 . 1 1 36 36 SER CB C 36 62.529 62.529 62.900 -0.371 18480 12984 1 18 . 1 1 36 36 SER H H 36 8.347 8.347 8.190 0.157 18480 12985 1 18 . 1 1 37 37 GLN N N 37 122.548 122.548 120.183 2.365 18480 12986 1 18 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.565 -0.506 18480 12987 1 18 . 1 1 37 37 GLN C C 37 179.149 179.149 176.265 2.884 18480 12988 1 18 . 1 1 37 37 GLN CA C 37 58.967 58.967 56.535 2.433 18480 12989 1 18 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.777 -0.756 18480 12990 1 18 . 1 1 37 37 GLN H H 37 7.500 7.500 7.779 -0.279 18480 12991 1 18 . 1 1 38 38 LEU N N 38 117.948 117.948 117.937 0.011 18480 12992 1 18 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.370 -0.478 18480 12993 1 18 . 1 1 38 38 LEU C C 38 179.675 179.675 177.298 2.377 18480 12994 1 18 . 1 1 38 38 LEU CA C 38 57.959 57.959 54.243 3.716 18480 12995 1 18 . 1 1 38 38 LEU CB C 38 41.493 41.493 39.590 1.903 18480 12996 1 18 . 1 1 38 38 LEU H H 38 8.217 8.217 7.304 0.913 18480 12997 1 18 . 1 1 39 39 ASP N N 39 120.923 120.923 121.407 -0.484 18480 12998 1 18 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.763 -0.352 18480 12999 1 18 . 1 1 39 39 ASP C C 39 179.224 179.224 176.918 2.306 18480 13000 1 18 . 1 1 39 39 ASP CA C 39 57.606 57.606 56.681 0.924 18480 13001 1 18 . 1 1 39 39 ASP CB C 39 41.828 41.828 42.807 -0.979 18480 13002 1 18 . 1 1 39 39 ASP H H 39 8.192 8.192 7.750 0.442 18480 13003 1 18 . 1 1 40 40 ASP N N 40 123.608 123.608 119.595 4.013 18480 13004 1 18 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.447 -0.230 18480 13005 1 18 . 1 1 40 40 ASP C C 40 179.600 179.600 178.135 1.465 18480 13006 1 18 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.951 1.689 18480 13007 1 18 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.953 -1.641 18480 13008 1 18 . 1 1 40 40 ASP H H 40 8.366 8.366 7.962 0.404 18480 13009 1 18 . 1 1 41 41 MET N N 41 118.772 118.772 116.479 2.293 18480 13010 1 18 . 1 1 41 41 MET HA H 41 3.638 3.638 4.448 -0.810 18480 13011 1 18 . 1 1 41 41 MET C C 41 177.693 177.693 178.070 -0.377 18480 13012 1 18 . 1 1 41 41 MET CA C 41 60.513 60.513 58.376 2.138 18480 13013 1 18 . 1 1 41 41 MET CB C 41 34.320 34.320 32.595 1.725 18480 13014 1 18 . 1 1 41 41 MET H H 41 8.423 8.423 7.552 0.871 18480 13015 1 18 . 1 1 42 42 SER N N 42 115.040 115.040 116.143 -1.103 18480 13016 1 18 . 1 1 42 42 SER HA H 42 4.168 4.168 4.444 -0.276 18480 13017 1 18 . 1 1 42 42 SER C C 42 177.483 177.483 176.362 1.121 18480 13018 1 18 . 1 1 42 42 SER CA C 42 61.923 61.923 60.484 1.439 18480 13019 1 18 . 1 1 42 42 SER CB C 42 63.084 63.084 63.111 -0.027 18480 13020 1 18 . 1 1 42 42 SER H H 42 8.901 8.901 8.192 0.709 18480 13021 1 18 . 1 1 43 43 THR N N 43 118.747 118.747 119.995 -1.248 18480 13022 1 18 . 1 1 43 43 THR HA H 43 3.914 3.914 4.009 -0.095 18480 13023 1 18 . 1 1 43 43 THR C C 43 177.258 177.258 176.680 0.578 18480 13024 1 18 . 1 1 43 43 THR CA C 43 67.017 67.017 66.496 0.521 18480 13025 1 18 . 1 1 43 43 THR CB C 43 69.500 69.500 68.652 0.848 18480 13026 1 18 . 1 1 43 43 THR H H 43 8.479 8.479 7.622 0.857 18480 13027 1 18 . 1 1 44 44 ILE N N 44 121.898 121.898 121.142 0.756 18480 13028 1 18 . 1 1 44 44 ILE HA H 44 3.703 3.703 4.023 -0.320 18480 13029 1 18 . 1 1 44 44 ILE C C 44 178.564 178.564 178.042 0.522 18480 13030 1 18 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.661 -0.597 18480 13031 1 18 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.780 -1.571 18480 13032 1 18 . 1 1 44 44 ILE H H 44 7.807 7.807 7.441 0.366 18480 13033 1 18 . 1 1 45 45 ALA N N 45 124.002 124.002 122.573 1.429 18480 13034 1 18 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.843 0.199 18480 13035 1 18 . 1 1 45 45 ALA C C 45 179.404 179.404 179.414 -0.010 18480 13036 1 18 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.261 1.280 18480 13037 1 18 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.582 -0.124 18480 13038 1 18 . 1 1 45 45 ALA H H 45 9.145 9.145 7.813 1.332 18480 13039 1 18 . 1 1 46 46 GLN N N 46 115.753 115.753 115.530 0.223 18480 13040 1 18 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.150 -0.127 18480 13041 1 18 . 1 1 46 46 GLN C C 46 179.014 179.014 178.138 0.876 18480 13042 1 18 . 1 1 46 46 GLN CA C 46 58.953 58.953 57.849 1.104 18480 13043 1 18 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.593 -0.193 18480 13044 1 18 . 1 1 46 46 GLN H H 46 8.459 8.459 8.239 0.220 18480 13045 1 18 . 1 1 47 47 SER N N 47 116.041 116.041 117.479 -1.438 18480 13046 1 18 . 1 1 47 47 SER HA H 47 4.258 4.258 4.396 -0.138 18480 13047 1 18 . 1 1 47 47 SER C C 47 177.483 177.483 176.580 0.903 18480 13048 1 18 . 1 1 47 47 SER CA C 47 62.328 62.328 61.122 1.206 18480 13049 1 18 . 1 1 47 47 SER CB C 47 63.154 63.154 63.321 -0.167 18480 13050 1 18 . 1 1 47 47 SER H H 47 7.961 7.961 7.875 0.086 18480 13051 1 18 . 1 1 48 48 MET N N 48 122.349 122.349 121.728 0.621 18480 13052 1 18 . 1 1 48 48 MET HA H 48 4.376 4.376 4.310 0.066 18480 13053 1 18 . 1 1 48 48 MET C C 48 177.798 177.798 178.322 -0.524 18480 13054 1 18 . 1 1 48 48 MET CA C 48 58.198 58.198 57.464 0.734 18480 13055 1 18 . 1 1 48 48 MET CB C 48 32.102 32.102 31.548 0.554 18480 13056 1 18 . 1 1 48 48 MET H H 48 8.508 8.508 8.219 0.289 18480 13057 1 18 . 1 1 49 49 VAL N N 49 122.061 122.061 115.871 6.190 18480 13058 1 18 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.742 -0.300 18480 13059 1 18 . 1 1 49 49 VAL C C 49 177.910 177.910 177.584 0.326 18480 13060 1 18 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.198 1.725 18480 13061 1 18 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.576 1.183 18480 13062 1 18 . 1 1 49 49 VAL H H 49 8.541 8.541 7.464 1.077 18480 13063 1 18 . 1 1 50 50 GLN N N 50 118.465 118.465 119.817 -1.352 18480 13064 1 18 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.156 -0.099 18480 13065 1 18 . 1 1 50 50 GLN C C 50 179.449 179.449 178.462 0.987 18480 13066 1 18 . 1 1 50 50 GLN CA C 50 59.025 59.025 59.465 -0.440 18480 13067 1 18 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.383 -0.376 18480 13068 1 18 . 1 1 50 50 GLN H H 50 8.165 8.165 7.706 0.459 18480 13069 1 18 . 1 1 51 51 SER N N 51 117.659 117.659 117.117 0.542 18480 13070 1 18 . 1 1 51 51 SER HA H 51 3.854 3.854 4.234 -0.380 18480 13071 1 18 . 1 1 51 51 SER C C 51 176.374 176.374 176.539 -0.165 18480 13072 1 18 . 1 1 51 51 SER CA C 51 62.642 62.642 62.636 0.006 18480 13073 1 18 . 1 1 51 51 SER CB C 51 63.039 63.039 62.780 0.259 18480 13074 1 18 . 1 1 51 51 SER H H 51 8.199 8.199 7.853 0.346 18480 13075 1 18 . 1 1 52 52 ILE N N 52 122.930 122.930 122.665 0.265 18480 13076 1 18 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.569 -0.189 18480 13077 1 18 . 1 1 52 52 ILE C C 52 178.684 178.684 177.766 0.918 18480 13078 1 18 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.359 0.956 18480 13079 1 18 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.714 -0.166 18480 13080 1 18 . 1 1 52 52 ILE H H 52 8.068 8.068 8.253 -0.185 18480 13081 1 18 . 1 1 53 53 GLN N N 53 118.774 118.774 118.298 0.476 18480 13082 1 18 . 1 1 53 53 GLN HA H 53 3.913 3.913 4.032 -0.119 18480 13083 1 18 . 1 1 53 53 GLN C C 53 179.014 179.014 178.436 0.578 18480 13084 1 18 . 1 1 53 53 GLN CA C 53 59.168 59.168 58.961 0.207 18480 13085 1 18 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.310 -0.293 18480 13086 1 18 . 1 1 53 53 GLN H H 53 8.459 8.459 8.591 -0.132 18480 13087 1 18 . 1 1 54 54 SER N N 54 115.452 115.452 117.346 -1.894 18480 13088 1 18 . 1 1 54 54 SER HA H 54 4.294 4.294 4.238 0.056 18480 13089 1 18 . 1 1 54 54 SER C C 54 176.822 176.822 176.625 0.197 18480 13090 1 18 . 1 1 54 54 SER CA C 54 61.276 61.276 61.875 -0.599 18480 13091 1 18 . 1 1 54 54 SER CB C 54 62.873 62.873 63.046 -0.173 18480 13092 1 18 . 1 1 54 54 SER H H 54 8.330 8.330 7.624 0.706 18480 13093 1 18 . 1 1 55 55 LEU N N 55 121.066 121.066 121.702 -0.636 18480 13094 1 18 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.030 -0.049 18480 13095 1 18 . 1 1 55 55 LEU C C 55 179.434 179.434 178.447 0.987 18480 13096 1 18 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.739 0.237 18480 13097 1 18 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.553 1.053 18480 13098 1 18 . 1 1 55 55 LEU H H 55 8.211 8.211 8.473 -0.262 18480 13099 1 18 . 1 1 56 56 ALA N N 56 122.497 122.497 122.428 0.069 18480 13100 1 18 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.178 -0.029 18480 13101 1 18 . 1 1 56 56 ALA C C 56 180.530 180.530 180.095 0.435 18480 13102 1 18 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.672 0.397 18480 13103 1 18 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.200 -0.238 18480 13104 1 18 . 1 1 56 56 ALA H H 56 8.902 8.902 8.253 0.649 18480 13105 1 18 . 1 1 57 57 ALA N N 57 122.922 122.922 119.901 3.021 18480 13106 1 18 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.182 -0.025 18480 13107 1 18 . 1 1 57 57 ALA C C 57 179.344 179.344 178.499 0.845 18480 13108 1 18 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.230 0.768 18480 13109 1 18 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.610 -0.581 18480 13110 1 18 . 1 1 57 57 ALA H H 57 8.140 8.140 7.782 0.358 18480 13111 1 18 . 1 1 58 58 GLN N N 58 113.359 113.359 116.043 -2.684 18480 13112 1 18 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.465 -0.103 18480 13113 1 18 . 1 1 58 58 GLN C C 58 176.612 176.612 175.713 0.899 18480 13114 1 18 . 1 1 58 58 GLN CA C 58 55.598 55.598 54.513 1.085 18480 13115 1 18 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.427 1.648 18480 13116 1 18 . 1 1 58 58 GLN H H 58 7.415 7.415 7.317 0.098 18480 13117 1 18 . 1 1 59 59 GLY N N 59 109.012 109.012 108.222 0.790 18480 13118 1 18 . 1 1 59 59 GLY C C 59 174.856 174.856 175.212 -0.356 18480 13119 1 18 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.767 0.994 18480 13120 1 18 . 1 1 59 59 GLY H H 59 7.979 7.979 7.665 0.314 18480 13121 1 18 . 1 1 60 60 ARG N N 60 115.906 115.906 116.362 -0.456 18480 13122 1 18 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.510 0.092 18480 13123 1 18 . 1 1 60 60 ARG C C 60 175.847 175.847 176.214 -0.367 18480 13124 1 18 . 1 1 60 60 ARG CA C 60 55.808 55.808 55.237 0.571 18480 13125 1 18 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.105 2.301 18480 13126 1 18 . 1 1 60 60 ARG H H 60 8.126 8.126 8.463 -0.337 18480 13127 1 18 . 1 1 61 61 THR N N 61 107.985 107.985 114.256 -6.271 18480 13128 1 18 . 1 1 61 61 THR HA H 61 4.125 4.125 4.352 -0.227 18480 13129 1 18 . 1 1 61 61 THR C C 61 173.654 173.654 173.921 -0.267 18480 13130 1 18 . 1 1 61 61 THR CA C 61 62.194 62.194 62.135 0.059 18480 13131 1 18 . 1 1 61 61 THR CB C 61 69.512 69.512 69.405 0.107 18480 13132 1 18 . 1 1 61 61 THR H H 61 7.663 7.663 7.609 0.054 18480 13133 1 18 . 1 1 62 62 SER N N 62 113.733 113.733 117.552 -3.819 18480 13134 1 18 . 1 1 62 62 SER HA H 62 4.973 4.973 4.881 0.092 18480 13135 1 18 . 1 1 62 62 SER C C 62 173.207 173.207 173.271 -0.064 18480 13136 1 18 . 1 1 62 62 SER CA C 62 56.343 56.343 55.316 1.027 18480 13137 1 18 . 1 1 62 62 SER CB C 62 63.992 63.992 64.805 -0.813 18480 13138 1 18 . 1 1 62 62 SER H H 62 7.057 7.057 7.898 -0.841 18480 13139 1 18 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.632 0.070 18480 13140 1 18 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.530 0.770 18480 13141 1 18 . 1 1 63 63 PRO CB C 63 32.236 32.236 31.985 0.251 18480 13142 1 18 . 1 1 64 64 ASN N N 64 114.886 114.886 115.749 -0.863 18480 13143 1 18 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.502 -0.100 18480 13144 1 18 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.542 0.709 18480 13145 1 18 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.885 0.152 18480 13146 1 18 . 1 1 64 64 ASN H H 64 8.642 8.642 8.787 -0.145 18480 13147 1 18 . 1 1 65 65 LYS N N 65 119.774 119.774 120.419 -0.645 18480 13148 1 18 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.175 -0.369 18480 13149 1 18 . 1 1 65 65 LYS C C 65 178.999 178.999 178.845 0.154 18480 13150 1 18 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.408 2.470 18480 13151 1 18 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.572 0.665 18480 13152 1 18 . 1 1 65 65 LYS H H 65 7.882 7.882 7.350 0.532 18480 13153 1 18 . 1 1 66 66 LEU N N 66 117.686 117.686 120.175 -2.489 18480 13154 1 18 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.032 -0.010 18480 13155 1 18 . 1 1 66 66 LEU C C 66 178.928 178.928 177.984 0.944 18480 13156 1 18 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.300 0.617 18480 13157 1 18 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.742 -0.209 18480 13158 1 18 . 1 1 66 66 LEU H H 66 8.666 8.666 8.224 0.442 18480 13159 1 18 . 1 1 67 67 GLN N N 67 124.469 124.469 118.465 6.004 18480 13160 1 18 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.482 -0.190 18480 13161 1 18 . 1 1 67 67 GLN C C 67 178.789 178.789 178.255 0.534 18480 13162 1 18 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.307 1.584 18480 13163 1 18 . 1 1 67 67 GLN CB C 67 28.159 28.159 27.882 0.277 18480 13164 1 18 . 1 1 67 67 GLN H H 67 8.997 8.997 7.368 1.629 18480 13165 1 18 . 1 1 68 68 ALA N N 68 121.986 121.986 123.072 -1.086 18480 13166 1 18 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.003 -0.193 18480 13167 1 18 . 1 1 68 68 ALA C C 68 180.320 180.320 179.019 1.301 18480 13168 1 18 . 1 1 68 68 ALA CA C 68 55.503 55.503 55.035 0.468 18480 13169 1 18 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.087 0.125 18480 13170 1 18 . 1 1 68 68 ALA H H 68 7.427 7.427 7.613 -0.186 18480 13171 1 18 . 1 1 69 69 LEU N N 69 118.881 118.881 114.742 4.139 18480 13172 1 18 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.227 -0.175 18480 13173 1 18 . 1 1 69 69 LEU C C 69 178.864 178.864 177.788 1.076 18480 13174 1 18 . 1 1 69 69 LEU CA C 69 57.747 57.747 55.955 1.792 18480 13175 1 18 . 1 1 69 69 LEU CB C 69 41.894 41.894 40.829 1.065 18480 13176 1 18 . 1 1 69 69 LEU H H 69 8.143 8.143 7.424 0.719 18480 13177 1 18 . 1 1 70 70 ASN N N 70 119.848 119.848 118.705 1.143 18480 13178 1 18 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.667 -0.276 18480 13179 1 18 . 1 1 70 70 ASN C C 70 177.483 177.483 176.842 0.641 18480 13180 1 18 . 1 1 70 70 ASN CA C 70 57.784 57.784 55.903 1.881 18480 13181 1 18 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.315 0.157 18480 13182 1 18 . 1 1 70 70 ASN H H 70 8.456 8.456 7.920 0.536 18480 13183 1 18 . 1 1 71 71 MET N N 71 118.843 118.843 119.808 -0.965 18480 13184 1 18 . 1 1 71 71 MET HA H 71 4.769 4.769 4.284 0.485 18480 13185 1 18 . 1 1 71 71 MET C C 71 178.279 178.279 178.116 0.163 18480 13186 1 18 . 1 1 71 71 MET CA C 71 56.415 56.415 56.744 -0.329 18480 13187 1 18 . 1 1 71 71 MET CB C 71 29.788 29.788 31.266 -1.478 18480 13188 1 18 . 1 1 71 71 MET H H 71 7.757 7.757 7.757 0.000 18480 13189 1 18 . 1 1 72 72 ALA N N 72 126.265 126.265 122.343 3.922 18480 13190 1 18 . 1 1 72 72 ALA HA H 72 4.242 4.242 3.960 0.282 18480 13191 1 18 . 1 1 72 72 ALA C C 72 179.059 179.059 178.758 0.301 18480 13192 1 18 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.612 -0.486 18480 13193 1 18 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.261 0.662 18480 13194 1 18 . 1 1 72 72 ALA H H 72 8.559 8.559 8.566 -0.007 18480 13195 1 18 . 1 1 73 73 PHE N N 73 118.887 118.887 119.650 -0.763 18480 13196 1 18 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.189 -0.126 18480 13197 1 18 . 1 1 73 73 PHE C C 73 177.258 177.258 176.537 0.721 18480 13198 1 18 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.171 0.901 18480 13199 1 18 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.093 0.212 18480 13200 1 18 . 1 1 73 73 PHE H H 73 8.337 8.337 7.835 0.502 18480 13201 1 18 . 1 1 74 74 ALA N N 74 122.360 122.360 121.492 0.868 18480 13202 1 18 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.694 -0.463 18480 13203 1 18 . 1 1 74 74 ALA C C 74 179.374 179.374 179.498 -0.124 18480 13204 1 18 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.986 0.831 18480 13205 1 18 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.031 0.850 18480 13206 1 18 . 1 1 74 74 ALA H H 74 8.540 8.540 8.213 0.327 18480 13207 1 18 . 1 1 75 75 SER N N 75 112.265 112.265 114.244 -1.979 18480 13208 1 18 . 1 1 75 75 SER HA H 75 3.858 3.858 4.225 -0.367 18480 13209 1 18 . 1 1 75 75 SER CA C 75 62.251 62.251 61.662 0.589 18480 13210 1 18 . 1 1 75 75 SER CB C 75 62.874 62.874 62.960 -0.086 18480 13211 1 18 . 1 1 75 75 SER H H 75 8.859 8.859 8.295 0.564 18480 13212 1 18 . 1 1 76 76 SER N N 76 118.859 118.859 118.370 0.489 18480 13213 1 18 . 1 1 76 76 SER HA H 76 3.964 3.964 4.378 -0.414 18480 13214 1 18 . 1 1 76 76 SER CA C 76 63.066 63.066 61.630 1.436 18480 13215 1 18 . 1 1 76 76 SER CB C 76 63.377 63.377 62.656 0.721 18480 13216 1 18 . 1 1 76 76 SER H H 76 8.065 8.065 7.782 0.283 18480 13217 1 18 . 1 1 77 77 MET N N 77 120.030 120.030 118.520 1.510 18480 13218 1 18 . 1 1 77 77 MET HA H 77 4.234 4.234 4.031 0.203 18480 13219 1 18 . 1 1 77 77 MET C C 77 178.354 178.354 178.274 0.080 18480 13220 1 18 . 1 1 77 77 MET CA C 77 57.167 57.167 56.620 0.547 18480 13221 1 18 . 1 1 77 77 MET CB C 77 32.728 32.728 31.117 1.611 18480 13222 1 18 . 1 1 77 77 MET H H 77 7.397 7.397 7.850 -0.453 18480 13223 1 18 . 1 1 78 78 ALA N N 78 119.880 119.880 122.159 -2.279 18480 13224 1 18 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.207 -0.304 18480 13225 1 18 . 1 1 78 78 ALA C C 78 178.354 178.354 179.471 -1.117 18480 13226 1 18 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.353 -0.213 18480 13227 1 18 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.360 0.741 18480 13228 1 18 . 1 1 78 78 ALA H H 78 7.908 7.908 7.454 0.454 18480 13229 1 18 . 1 1 79 79 GLU N N 79 117.907 117.907 118.728 -0.821 18480 13230 1 18 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.910 0.029 18480 13231 1 18 . 1 1 79 79 GLU C C 79 178.894 178.894 178.958 -0.064 18480 13232 1 18 . 1 1 79 79 GLU CA C 79 59.700 59.700 58.947 0.753 18480 13233 1 18 . 1 1 79 79 GLU CB C 79 29.647 29.647 28.924 0.723 18480 13234 1 18 . 1 1 79 79 GLU H H 79 8.576 8.576 8.018 0.558 18480 13235 1 18 . 1 1 80 80 ILE N N 80 121.918 121.918 120.926 0.992 18480 13236 1 18 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.670 -0.068 18480 13237 1 18 . 1 1 80 80 ILE C C 80 179.014 179.014 178.056 0.958 18480 13238 1 18 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.828 0.303 18480 13239 1 18 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.519 0.106 18480 13240 1 18 . 1 1 80 80 ILE H H 80 8.065 8.065 8.054 0.011 18480 13241 1 18 . 1 1 81 81 ALA N N 81 120.266 120.266 122.761 -2.495 18480 13242 1 18 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.111 0.037 18480 13243 1 18 . 1 1 81 81 ALA C C 81 177.258 177.258 179.145 -1.887 18480 13244 1 18 . 1 1 81 81 ALA CA C 81 55.140 55.140 55.371 -0.231 18480 13245 1 18 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.302 0.854 18480 13246 1 18 . 1 1 81 81 ALA H H 81 8.169 8.169 7.847 0.322 18480 13247 1 18 . 1 1 82 82 ALA N N 82 114.813 114.813 120.667 -5.854 18480 13248 1 18 . 1 1 82 82 ALA HA H 82 4.051 4.051 3.993 0.058 18480 13249 1 18 . 1 1 82 82 ALA C C 82 177.693 177.693 179.673 -1.980 18480 13250 1 18 . 1 1 82 82 ALA CA C 82 53.767 53.767 55.206 -1.439 18480 13251 1 18 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.373 2.626 18480 13252 1 18 . 1 1 82 82 ALA H H 82 8.019 8.019 8.546 -0.527 18480 13253 1 18 . 1 1 83 83 SER N N 83 110.140 110.140 113.234 -3.094 18480 13254 1 18 . 1 1 83 83 SER HA H 83 4.415 4.415 4.367 0.048 18480 13255 1 18 . 1 1 83 83 SER C C 83 174.856 174.856 175.599 -0.743 18480 13256 1 18 . 1 1 83 83 SER CA C 83 59.772 59.772 60.072 -0.300 18480 13257 1 18 . 1 1 83 83 SER CB C 83 64.952 64.952 63.680 1.272 18480 13258 1 18 . 1 1 83 83 SER H H 83 7.823 7.823 7.880 -0.057 18480 13259 1 18 . 1 1 84 84 GLU N N 84 120.696 120.696 120.648 0.048 18480 13260 1 18 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.433 0.068 18480 13261 1 18 . 1 1 84 84 GLU C C 84 176.597 176.597 174.936 1.661 18480 13262 1 18 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.880 0.716 18480 13263 1 18 . 1 1 84 84 GLU CB C 84 28.537 28.537 30.728 -2.191 18480 13264 1 18 . 1 1 84 84 GLU H H 84 7.666 7.666 8.317 -0.651 18480 13265 1 18 . 1 1 85 85 GLU N N 85 124.951 124.951 117.126 7.825 18480 13266 1 18 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.543 -0.281 18480 13267 1 18 . 1 1 85 85 GLU C C 85 177.258 177.258 176.151 1.107 18480 13268 1 18 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.255 1.590 18480 13269 1 18 . 1 1 85 85 GLU CB C 85 30.803 30.803 32.994 -2.191 18480 13270 1 18 . 1 1 85 85 GLU H H 85 8.735 8.735 8.592 0.143 18480 13271 1 18 . 1 1 86 86 GLY N N 86 110.356 110.356 108.151 2.205 18480 13272 1 18 . 1 1 86 86 GLY C C 86 174.856 174.856 173.925 0.931 18480 13273 1 18 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.025 -0.635 18480 13274 1 18 . 1 1 86 86 GLY H H 86 8.609 8.609 8.547 0.062 18480 13275 1 18 . 1 1 87 87 GLY N N 87 107.569 107.569 111.769 -4.200 18480 13276 1 18 . 1 1 87 87 GLY C C 87 174.436 174.436 173.802 0.634 18480 13277 1 18 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.807 -0.547 18480 13278 1 18 . 1 1 87 87 GLY H H 87 7.931 7.931 8.272 -0.341 18480 13279 1 18 . 1 1 88 88 GLY N N 88 109.889 109.889 108.304 1.585 18480 13280 1 18 . 1 1 88 88 GLY C C 88 173.325 173.325 173.330 -0.005 18480 13281 1 18 . 1 1 88 88 GLY CA C 88 45.166 45.166 43.952 1.214 18480 13282 1 18 . 1 1 88 88 GLY H H 88 8.650 8.650 7.603 1.047 18480 13283 1 18 . 1 1 89 89 SER N N 89 114.731 114.731 119.867 -5.136 18480 13284 1 18 . 1 1 89 89 SER HA H 89 4.411 4.411 4.411 0.000 18480 13285 1 18 . 1 1 89 89 SER C C 89 175.066 175.066 175.578 -0.512 18480 13286 1 18 . 1 1 89 89 SER CA C 89 57.363 57.363 58.198 -0.835 18480 13287 1 18 . 1 1 89 89 SER CB C 89 62.483 62.483 64.577 -2.094 18480 13288 1 18 . 1 1 89 89 SER H H 89 8.640 8.640 7.960 0.680 18480 13289 1 18 . 1 1 90 90 LEU N N 90 123.210 123.210 124.103 -0.893 18480 13290 1 18 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.001 -0.026 18480 13291 1 18 . 1 1 90 90 LEU C C 90 179.434 179.434 178.021 1.413 18480 13292 1 18 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.577 -0.234 18480 13293 1 18 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.496 -0.132 18480 13294 1 18 . 1 1 90 90 LEU H H 90 8.976 8.976 8.815 0.161 18480 13295 1 18 . 1 1 91 91 SER N N 91 115.789 115.789 112.539 3.250 18480 13296 1 18 . 1 1 91 91 SER HA H 91 4.149 4.149 4.196 -0.047 18480 13297 1 18 . 1 1 91 91 SER C C 91 177.325 177.325 176.640 0.685 18480 13298 1 18 . 1 1 91 91 SER CA C 91 61.794 61.794 62.261 -0.467 18480 13299 1 18 . 1 1 91 91 SER CB C 91 62.276 62.276 62.096 0.180 18480 13300 1 18 . 1 1 91 91 SER H H 91 8.612 8.612 8.567 0.045 18480 13301 1 18 . 1 1 92 92 THR N N 92 122.677 122.677 118.811 3.866 18480 13302 1 18 . 1 1 92 92 THR HA H 92 3.919 3.919 4.096 -0.177 18480 13303 1 18 . 1 1 92 92 THR C C 92 176.162 176.162 176.533 -0.371 18480 13304 1 18 . 1 1 92 92 THR CA C 92 66.719 66.719 66.185 0.534 18480 13305 1 18 . 1 1 92 92 THR CB C 92 68.236 68.236 68.596 -0.360 18480 13306 1 18 . 1 1 92 92 THR H H 92 7.871 7.871 7.342 0.529 18480 13307 1 18 . 1 1 93 93 LYS N N 93 119.820 119.820 119.984 -0.164 18480 13308 1 18 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.067 -0.498 18480 13309 1 18 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.141 1.511 18480 13310 1 18 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.487 2.241 18480 13311 1 18 . 1 1 93 93 LYS H H 93 8.263 8.263 8.159 0.104 18480 13312 1 18 . 1 1 94 94 THR N N 94 113.759 113.759 117.656 -3.897 18480 13313 1 18 . 1 1 94 94 THR HA H 94 3.692 3.692 4.079 -0.387 18480 13314 1 18 . 1 1 94 94 THR C C 94 177.033 177.033 176.563 0.470 18480 13315 1 18 . 1 1 94 94 THR CA C 94 68.122 68.122 66.931 1.191 18480 13316 1 18 . 1 1 94 94 THR CB C 94 68.342 68.342 68.676 -0.334 18480 13317 1 18 . 1 1 94 94 THR H H 94 8.448 8.448 7.917 0.531 18480 13318 1 18 . 1 1 95 95 SER N N 95 117.547 117.547 117.901 -0.354 18480 13319 1 18 . 1 1 95 95 SER HA H 95 4.262 4.262 4.249 0.013 18480 13320 1 18 . 1 1 95 95 SER C C 95 177.828 177.828 176.648 1.180 18480 13321 1 18 . 1 1 95 95 SER CA C 95 61.758 61.758 62.131 -0.373 18480 13322 1 18 . 1 1 95 95 SER CB C 95 62.667 62.667 62.841 -0.174 18480 13323 1 18 . 1 1 95 95 SER H H 95 8.173 8.173 7.790 0.383 18480 13324 1 18 . 1 1 96 96 SER N N 96 121.366 121.366 119.289 2.077 18480 13325 1 18 . 1 1 96 96 SER HA H 96 4.035 4.035 4.258 -0.223 18480 13326 1 18 . 1 1 96 96 SER CA C 96 62.467 62.467 62.052 0.415 18480 13327 1 18 . 1 1 96 96 SER CB C 96 61.755 61.755 62.833 -1.078 18480 13328 1 18 . 1 1 96 96 SER H H 96 8.830 8.830 7.901 0.929 18480 13329 1 18 . 1 1 97 97 ILE N N 97 121.943 121.943 121.642 0.301 18480 13330 1 18 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.957 -0.148 18480 13331 1 18 . 1 1 97 97 ILE C C 97 177.693 177.693 177.793 -0.100 18480 13332 1 18 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.568 0.474 18480 13333 1 18 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.791 -0.255 18480 13334 1 18 . 1 1 97 97 ILE H H 97 8.380 8.380 8.091 0.289 18480 13335 1 18 . 1 1 98 98 ALA N N 98 122.507 122.507 122.420 0.087 18480 13336 1 18 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.058 -0.018 18480 13337 1 18 . 1 1 98 98 ALA C C 98 180.740 180.740 179.714 1.026 18480 13338 1 18 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.517 0.872 18480 13339 1 18 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.052 0.102 18480 13340 1 18 . 1 1 98 98 ALA H H 98 8.624 8.624 8.207 0.417 18480 13341 1 18 . 1 1 99 99 SER N N 99 115.850 115.850 114.645 1.205 18480 13342 1 18 . 1 1 99 99 SER HA H 99 4.325 4.325 4.221 0.104 18480 13343 1 18 . 1 1 99 99 SER C C 99 177.168 177.168 176.608 0.560 18480 13344 1 18 . 1 1 99 99 SER CA C 99 61.867 61.867 61.488 0.379 18480 13345 1 18 . 1 1 99 99 SER CB C 99 63.200 63.200 63.100 0.100 18480 13346 1 18 . 1 1 99 99 SER H H 99 8.667 8.667 8.183 0.484 18480 13347 1 18 . 1 1 100 100 ALA N N 100 124.410 124.410 124.330 0.080 18480 13348 1 18 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.042 0.100 18480 13349 1 18 . 1 1 100 100 ALA CA C 100 55.388 55.388 55.157 0.231 18480 13350 1 18 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.292 0.335 18480 13351 1 18 . 1 1 100 100 ALA H H 100 8.744 8.744 8.069 0.675 18480 13352 1 18 . 1 1 101 101 MET N N 101 119.346 119.346 118.480 0.866 18480 13353 1 18 . 1 1 101 101 MET HA H 101 4.368 4.368 4.383 -0.015 18480 13354 1 18 . 1 1 101 101 MET CA C 101 59.163 59.163 57.910 1.253 18480 13355 1 18 . 1 1 101 101 MET CB C 101 33.233 33.233 31.936 1.297 18480 13356 1 18 . 1 1 101 101 MET H H 101 9.152 9.152 8.998 0.154 18480 13357 1 18 . 1 1 102 102 SER N N 102 117.124 117.124 115.021 2.103 18480 13358 1 18 . 1 1 102 102 SER HA H 102 4.382 4.382 4.310 0.072 18480 13359 1 18 . 1 1 102 102 SER CA C 102 63.424 63.424 62.473 0.951 18480 13360 1 18 . 1 1 102 102 SER CB C 102 62.639 62.639 62.845 -0.206 18480 13361 1 18 . 1 1 102 102 SER H H 102 8.766 8.766 8.281 0.485 18480 13362 1 18 . 1 1 103 103 ASN N N 103 118.601 118.601 119.841 -1.240 18480 13363 1 18 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.562 -0.096 18480 13364 1 18 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.949 0.690 18480 13365 1 18 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.622 -0.315 18480 13366 1 18 . 1 1 103 103 ASN H H 103 8.298 8.298 7.835 0.463 18480 13367 1 18 . 1 1 104 104 ALA N N 104 122.821 122.821 122.492 0.329 18480 13368 1 18 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.959 0.280 18480 13369 1 18 . 1 1 104 104 ALA C C 104 181.701 181.701 179.838 1.863 18480 13370 1 18 . 1 1 104 104 ALA CA C 104 55.272 55.272 55.020 0.252 18480 13371 1 18 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.077 0.097 18480 13372 1 18 . 1 1 104 104 ALA H H 104 7.969 7.969 8.077 -0.108 18480 13373 1 18 . 1 1 105 105 PHE N N 105 119.585 119.585 118.007 1.578 18480 13374 1 18 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.472 -0.264 18480 13375 1 18 . 1 1 105 105 PHE C C 105 179.224 179.224 178.326 0.898 18480 13376 1 18 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.969 2.153 18480 13377 1 18 . 1 1 105 105 PHE CB C 105 39.567 39.567 39.087 0.480 18480 13378 1 18 . 1 1 105 105 PHE H H 105 8.647 8.647 7.983 0.664 18480 13379 1 18 . 1 1 106 106 LEU N N 106 121.925 121.925 117.664 4.261 18480 13380 1 18 . 1 1 106 106 LEU HA H 106 3.699 3.699 3.966 -0.267 18480 13381 1 18 . 1 1 106 106 LEU C C 106 179.074 179.074 179.280 -0.206 18480 13382 1 18 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.479 1.576 18480 13383 1 18 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.207 0.255 18480 13384 1 18 . 1 1 106 106 LEU H H 106 8.450 8.450 7.642 0.808 18480 13385 1 18 . 1 1 107 107 GLN N N 107 115.214 115.214 117.254 -2.040 18480 13386 1 18 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.306 -0.204 18480 13387 1 18 . 1 1 107 107 GLN C C 107 176.822 176.822 177.495 -0.673 18480 13388 1 18 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.604 -0.018 18480 13389 1 18 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.697 0.582 18480 13390 1 18 . 1 1 107 107 GLN H H 107 8.444 8.444 7.894 0.550 18480 13391 1 18 . 1 1 108 108 THR N N 108 109.014 109.014 112.647 -3.633 18480 13392 1 18 . 1 1 108 108 THR HA H 108 4.369 4.369 4.369 0.000 18480 13393 1 18 . 1 1 108 108 THR C C 108 175.952 175.952 176.285 -0.333 18480 13394 1 18 . 1 1 108 108 THR CA C 108 63.658 63.658 64.109 -0.451 18480 13395 1 18 . 1 1 108 108 THR CB C 108 70.179 70.179 69.323 0.856 18480 13396 1 18 . 1 1 108 108 THR H H 108 7.631 7.631 7.797 -0.166 18480 13397 1 18 . 1 1 109 109 THR N N 109 110.844 110.844 112.804 -1.960 18480 13398 1 18 . 1 1 109 109 THR HA H 109 4.477 4.477 4.403 0.074 18480 13399 1 18 . 1 1 109 109 THR C C 109 176.162 176.162 176.216 -0.054 18480 13400 1 18 . 1 1 109 109 THR CA C 109 61.728 61.728 62.752 -1.024 18480 13401 1 18 . 1 1 109 109 THR CB C 109 70.659 70.659 70.190 0.469 18480 13402 1 18 . 1 1 109 109 THR H H 109 8.623 8.623 7.800 0.823 18480 13403 1 18 . 1 1 110 110 GLY N N 110 109.549 109.549 110.886 -1.337 18480 13404 1 18 . 1 1 110 110 GLY C C 110 172.889 172.889 173.193 -0.304 18480 13405 1 18 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.785 0.758 18480 13406 1 18 . 1 1 110 110 GLY H H 110 8.113 8.113 8.318 -0.205 18480 13407 1 18 . 1 1 111 111 VAL N N 111 118.903 118.903 119.524 -0.621 18480 13408 1 18 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.526 -0.270 18480 13409 1 18 . 1 1 111 111 VAL C C 111 174.421 174.421 173.975 0.446 18480 13410 1 18 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.212 0.549 18480 13411 1 18 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.482 1.028 18480 13412 1 18 . 1 1 111 111 VAL H H 111 7.724 7.724 7.606 0.118 18480 13413 1 18 . 1 1 112 112 VAL N N 112 124.398 124.398 124.740 -0.342 18480 13414 1 18 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.113 -0.880 18480 13415 1 18 . 1 1 112 112 VAL C C 112 174.646 174.646 173.860 0.786 18480 13416 1 18 . 1 1 112 112 VAL CA C 112 63.735 63.735 59.988 3.747 18480 13417 1 18 . 1 1 112 112 VAL CB C 112 32.806 32.806 34.696 -1.890 18480 13418 1 18 . 1 1 112 112 VAL H H 112 8.627 8.627 8.255 0.372 18480 13419 1 18 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.658 -0.089 18480 13420 1 18 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.766 -1.559 18480 13421 1 18 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.216 -0.835 18480 13422 1 18 . 1 1 114 114 GLN N N 114 125.364 125.364 127.769 -2.405 18480 13423 1 18 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.248 -0.308 18480 13424 1 18 . 1 1 114 114 GLN C C 114 174.811 174.811 175.057 -0.246 18480 13425 1 18 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.783 -1.147 18480 13426 1 18 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.467 -1.375 18480 13427 1 18 . 1 1 114 114 GLN H H 114 8.731 8.731 8.890 -0.159 18480 13428 1 18 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.154 0.114 18480 13429 1 18 . 1 1 115 115 PRO CA C 115 66.661 66.661 66.220 0.441 18480 13430 1 18 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.331 -0.133 18480 13431 1 18 . 1 1 116 116 PHE N N 116 118.102 118.102 119.017 -0.915 18480 13432 1 18 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.149 0.112 18480 13433 1 18 . 1 1 116 116 PHE C C 116 176.597 176.597 177.332 -0.735 18480 13434 1 18 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.798 -0.508 18480 13435 1 18 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.268 0.312 18480 13436 1 18 . 1 1 116 116 PHE H H 116 7.712 7.712 8.650 -0.938 18480 13437 1 18 . 1 1 117 117 ILE N N 117 118.950 118.950 118.345 0.605 18480 13438 1 18 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.797 -0.143 18480 13439 1 18 . 1 1 117 117 ILE C C 117 178.789 178.789 178.310 0.479 18480 13440 1 18 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.824 0.816 18480 13441 1 18 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.549 -0.035 18480 13442 1 18 . 1 1 117 117 ILE H H 117 7.747 7.747 7.733 0.014 18480 13443 1 18 . 1 1 118 118 ASN N N 118 119.204 119.204 118.904 0.300 18480 13444 1 18 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.494 -0.127 18480 13445 1 18 . 1 1 118 118 ASN C C 118 177.033 177.033 178.278 -1.245 18480 13446 1 18 . 1 1 118 118 ASN CA C 118 55.781 55.781 55.902 -0.121 18480 13447 1 18 . 1 1 118 118 ASN CB C 118 37.485 37.485 37.943 -0.458 18480 13448 1 18 . 1 1 118 118 ASN H H 118 8.847 8.847 8.250 0.597 18480 13449 1 18 . 1 1 119 119 GLU N N 119 120.684 120.684 120.011 0.673 18480 13450 1 18 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.049 -0.084 18480 13451 1 18 . 1 1 119 119 GLU C C 119 178.564 178.564 178.593 -0.029 18480 13452 1 18 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.602 0.512 18480 13453 1 18 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.834 -0.316 18480 13454 1 18 . 1 1 119 119 GLU H H 119 8.081 8.081 7.820 0.261 18480 13455 1 18 . 1 1 120 120 ILE N N 120 118.037 118.037 118.170 -0.133 18480 13456 1 18 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.826 -0.254 18480 13457 1 18 . 1 1 120 120 ILE C C 120 178.279 178.279 177.994 0.285 18480 13458 1 18 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.077 -0.979 18480 13459 1 18 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.445 -1.193 18480 13460 1 18 . 1 1 120 120 ILE H H 120 7.948 7.948 7.637 0.311 18480 13461 1 18 . 1 1 121 121 THR N N 121 113.671 113.671 111.187 2.484 18480 13462 1 18 . 1 1 121 121 THR HA H 121 3.804 3.804 4.077 -0.273 18480 13463 1 18 . 1 1 121 121 THR C C 121 177.258 177.258 176.548 0.710 18480 13464 1 18 . 1 1 121 121 THR CA C 121 66.771 66.771 65.740 1.031 18480 13465 1 18 . 1 1 121 121 THR CB C 121 68.293 68.293 68.275 0.018 18480 13466 1 18 . 1 1 121 121 THR H H 121 8.345 8.345 7.636 0.709 18480 13467 1 18 . 1 1 122 122 GLN N N 122 121.849 121.849 120.539 1.310 18480 13468 1 18 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.068 -0.069 18480 13469 1 18 . 1 1 122 122 GLN C C 122 179.014 179.014 178.041 0.973 18480 13470 1 18 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.377 0.389 18480 13471 1 18 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.346 0.086 18480 13472 1 18 . 1 1 122 122 GLN H H 122 7.589 7.589 7.367 0.222 18480 13473 1 18 . 1 1 123 123 LEU N N 123 120.855 120.855 120.257 0.598 18480 13474 1 18 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.690 -0.272 18480 13475 1 18 . 1 1 123 123 LEU C C 123 178.354 178.354 178.689 -0.335 18480 13476 1 18 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.859 -0.043 18480 13477 1 18 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.649 -0.798 18480 13478 1 18 . 1 1 123 123 LEU H H 123 8.081 8.081 7.518 0.563 18480 13479 1 18 . 1 1 124 124 VAL N N 124 115.864 115.864 116.736 -0.872 18480 13480 1 18 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.921 -0.571 18480 13481 1 18 . 1 1 124 124 VAL C C 124 177.453 177.453 178.467 -1.014 18480 13482 1 18 . 1 1 124 124 VAL CA C 124 67.473 67.473 65.540 1.933 18480 13483 1 18 . 1 1 124 124 VAL CB C 124 31.606 31.606 30.724 0.882 18480 13484 1 18 . 1 1 124 124 VAL H H 124 7.574 7.574 7.661 -0.087 18480 13485 1 18 . 1 1 125 125 SER N N 125 110.334 110.334 112.370 -2.036 18480 13486 1 18 . 1 1 125 125 SER HA H 125 4.054 4.054 4.392 -0.338 18480 13487 1 18 . 1 1 125 125 SER C C 125 175.937 175.937 175.048 0.889 18480 13488 1 18 . 1 1 125 125 SER CA C 125 61.763 61.763 59.389 2.374 18480 13489 1 18 . 1 1 125 125 SER CB C 125 62.864 62.864 62.783 0.081 18480 13490 1 18 . 1 1 125 125 SER H H 125 6.950 6.950 7.522 -0.572 18480 13491 1 18 . 1 1 126 126 MET N N 126 121.750 121.750 116.427 5.323 18480 13492 1 18 . 1 1 126 126 MET HA H 126 3.951 3.951 4.558 -0.607 18480 13493 1 18 . 1 1 126 126 MET C C 126 179.254 179.254 177.760 1.494 18480 13494 1 18 . 1 1 126 126 MET CA C 126 59.246 59.246 57.776 1.470 18480 13495 1 18 . 1 1 126 126 MET CB C 126 33.265 33.265 33.266 -0.001 18480 13496 1 18 . 1 1 126 126 MET H H 126 8.113 8.113 7.506 0.607 18480 13497 1 18 . 1 1 127 127 PHE N N 127 118.909 118.909 119.133 -0.224 18480 13498 1 18 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.244 0.399 18480 13499 1 18 . 1 1 127 127 PHE C C 127 178.128 178.128 177.564 0.564 18480 13500 1 18 . 1 1 127 127 PHE CA C 127 56.759 56.759 60.658 -3.899 18480 13501 1 18 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.767 -0.706 18480 13502 1 18 . 1 1 127 127 PHE H H 127 8.791 8.791 7.948 0.843 18480 13503 1 18 . 1 1 128 128 ALA N N 128 122.620 122.620 121.379 1.241 18480 13504 1 18 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.082 0.094 18480 13505 1 18 . 1 1 128 128 ALA C C 128 178.789 178.789 178.831 -0.042 18480 13506 1 18 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.663 0.002 18480 13507 1 18 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.489 0.676 18480 13508 1 18 . 1 1 128 128 ALA H H 128 8.235 8.235 8.018 0.217 18480 13509 1 18 . 1 1 129 129 GLN N N 129 116.507 116.507 116.795 -0.288 18480 13510 1 18 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.248 -0.023 18480 13511 1 18 . 1 1 129 129 GLN C C 129 177.258 177.258 178.006 -0.748 18480 13512 1 18 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.117 -0.099 18480 13513 1 18 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.467 0.658 18480 13514 1 18 . 1 1 129 129 GLN H H 129 7.715 7.715 7.720 -0.005 18480 13515 1 18 . 1 1 130 130 ALA N N 130 122.020 122.020 121.483 0.537 18480 13516 1 18 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.099 0.121 18480 13517 1 18 . 1 1 130 130 ALA C C 130 178.564 178.564 178.467 0.097 18480 13518 1 18 . 1 1 130 130 ALA CA C 130 53.806 53.806 54.017 -0.210 18480 13519 1 18 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.894 0.066 18480 13520 1 18 . 1 1 130 130 ALA H H 130 7.775 7.775 7.486 0.289 18480 13521 1 18 . 1 1 131 131 GLY N N 131 106.006 106.006 104.297 1.709 18480 13522 1 18 . 1 1 131 131 GLY C C 131 173.970 173.970 175.327 -1.357 18480 13523 1 18 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.164 -0.051 18480 13524 1 18 . 1 1 131 131 GLY H H 131 8.110 8.110 8.246 -0.136 18480 13525 1 18 . 1 1 132 132 MET N N 132 118.637 118.637 117.785 0.852 18480 13526 1 18 . 1 1 132 132 MET HA H 132 4.401 4.401 4.447 -0.046 18480 13527 1 18 . 1 1 132 132 MET C C 132 175.952 175.952 176.137 -0.185 18480 13528 1 18 . 1 1 132 132 MET CA C 132 56.375 56.375 56.529 -0.154 18480 13529 1 18 . 1 1 132 132 MET CB C 132 32.939 32.939 30.917 2.022 18480 13530 1 18 . 1 1 132 132 MET H H 132 7.945 7.945 8.230 -0.285 18480 13531 1 18 . 1 1 133 133 ASN N N 133 117.955 117.955 117.124 0.831 18480 13532 1 18 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.585 0.186 18480 13533 1 18 . 1 1 133 133 ASN C C 133 174.646 174.646 175.950 -1.304 18480 13534 1 18 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.998 -0.510 18480 13535 1 18 . 1 1 133 133 ASN CB C 133 39.376 39.376 37.839 1.537 18480 13536 1 18 . 1 1 133 133 ASN H H 133 8.283 8.283 7.974 0.309 18480 13537 1 18 . 1 1 134 134 ASP N N 134 120.891 120.891 121.469 -0.578 18480 13538 1 18 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.476 0.143 18480 13539 1 18 . 1 1 134 134 ASP C C 134 176.162 176.162 177.082 -0.920 18480 13540 1 18 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.296 -0.895 18480 13541 1 18 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.459 -0.286 18480 13542 1 18 . 1 1 134 134 ASP H H 134 8.192 8.192 7.574 0.618 18480 13543 1 18 . 1 1 135 135 VAL N N 135 119.737 119.737 115.365 4.372 18480 13544 1 18 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.650 0.530 18480 13545 1 18 . 1 1 135 135 VAL C C 135 176.162 176.162 174.939 1.223 18480 13546 1 18 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.398 -1.252 18480 13547 1 18 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.963 2.767 18480 13548 1 18 . 1 1 135 135 VAL H H 135 8.056 8.056 8.240 -0.184 18480 13549 1 18 . 1 1 136 136 SER N N 136 119.689 119.689 109.993 9.696 18480 13550 1 18 . 1 1 136 136 SER HA H 136 4.427 4.427 4.104 0.323 18480 13551 1 18 . 1 1 136 136 SER C C 136 173.325 173.325 174.363 -1.038 18480 13552 1 18 . 1 1 136 136 SER CA C 136 58.351 58.351 59.674 -1.323 18480 13553 1 18 . 1 1 136 136 SER CB C 136 64.031 64.031 61.270 2.761 18480 13554 1 18 . 1 1 136 136 SER H H 136 8.355 8.355 8.629 -0.274 18480 13555 1 19 . 1 1 3 3 GLY N N 3 110.996 110.996 109.582 1.414 18480 13556 1 19 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.430 1.046 18480 13557 1 19 . 1 1 3 3 GLY H H 3 8.591 8.591 8.196 0.395 18480 13558 1 19 . 1 1 4 4 ASN N N 4 118.637 118.637 120.662 -2.025 18480 13559 1 19 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.819 -0.091 18480 13560 1 19 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.410 -0.240 18480 13561 1 19 . 1 1 4 4 ASN CB C 4 39.064 39.064 39.069 -0.005 18480 13562 1 19 . 1 1 4 4 ASN H H 4 8.318 8.318 8.456 -0.138 18480 13563 1 19 . 1 1 5 5 SER N N 5 116.285 116.285 117.161 -0.876 18480 13564 1 19 . 1 1 5 5 SER HA H 5 4.352 4.352 4.303 0.049 18480 13565 1 19 . 1 1 5 5 SER CA C 5 58.593 58.593 59.377 -0.784 18480 13566 1 19 . 1 1 5 5 SER CB C 5 63.633 63.633 63.039 0.594 18480 13567 1 19 . 1 1 5 5 SER H H 5 8.280 8.280 8.105 0.175 18480 13568 1 19 . 1 1 6 6 HIS N N 6 119.777 119.777 123.461 -3.684 18480 13569 1 19 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.717 0.021 18480 13570 1 19 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.210 0.134 18480 13571 1 19 . 1 1 6 6 HIS CB C 6 29.328 29.328 32.138 -2.810 18480 13572 1 19 . 1 1 6 6 HIS H H 6 8.460 8.460 8.413 0.047 18480 13573 1 19 . 1 1 7 7 THR N N 7 115.111 115.111 115.808 -0.697 18480 13574 1 19 . 1 1 7 7 THR HA H 7 4.217 4.217 4.488 -0.271 18480 13575 1 19 . 1 1 7 7 THR C C 7 173.970 173.970 173.741 0.229 18480 13576 1 19 . 1 1 7 7 THR CA C 7 62.118 62.118 61.101 1.017 18480 13577 1 19 . 1 1 7 7 THR CB C 7 69.871 69.871 68.915 0.956 18480 13578 1 19 . 1 1 7 7 THR H H 7 8.202 8.202 8.380 -0.178 18480 13579 1 19 . 1 1 8 8 THR N N 8 113.695 113.695 115.809 -2.114 18480 13580 1 19 . 1 1 8 8 THR HA H 8 4.439 4.439 4.444 -0.005 18480 13581 1 19 . 1 1 8 8 THR C C 8 172.664 172.664 172.444 0.220 18480 13582 1 19 . 1 1 8 8 THR CA C 8 58.847 58.847 58.612 0.235 18480 13583 1 19 . 1 1 8 8 THR CB C 8 62.183 62.183 69.241 -7.058 18480 13584 1 19 . 1 1 8 8 THR H H 8 8.113 8.113 7.711 0.402 18480 13585 1 19 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.278 -0.313 18480 13586 1 19 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.011 -0.575 18480 13587 1 19 . 1 1 9 9 PRO CB C 9 31.171 31.171 30.992 0.179 18480 13588 1 19 . 1 1 10 10 TRP N N 10 108.872 108.872 111.712 -2.840 18480 13589 1 19 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.934 -0.345 18480 13590 1 19 . 1 1 10 10 TRP C C 10 175.817 175.817 175.547 0.270 18480 13591 1 19 . 1 1 10 10 TRP CA C 10 55.172 55.172 55.284 -0.112 18480 13592 1 19 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.458 -1.483 18480 13593 1 19 . 1 1 10 10 TRP H H 10 6.511 6.511 7.150 -0.639 18480 13594 1 19 . 1 1 11 11 THR N N 11 113.736 113.736 117.751 -4.015 18480 13595 1 19 . 1 1 11 11 THR HA H 11 3.899 3.899 4.169 -0.270 18480 13596 1 19 . 1 1 11 11 THR C C 11 173.970 173.970 174.218 -0.248 18480 13597 1 19 . 1 1 11 11 THR CA C 11 65.731 65.731 65.323 0.408 18480 13598 1 19 . 1 1 11 11 THR CB C 11 69.609 69.609 68.917 0.692 18480 13599 1 19 . 1 1 11 11 THR H H 11 7.310 7.310 7.607 -0.297 18480 13600 1 19 . 1 1 12 12 ASN N N 12 112.814 112.814 115.707 -2.893 18480 13601 1 19 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.045 -0.373 18480 13602 1 19 . 1 1 12 12 ASN C C 12 172.889 172.889 172.988 -0.099 18480 13603 1 19 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.647 0.481 18480 13604 1 19 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.480 0.219 18480 13605 1 19 . 1 1 12 12 ASN H H 12 7.234 7.234 7.548 -0.314 18480 13606 1 19 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.252 -0.170 18480 13607 1 19 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.504 0.138 18480 13608 1 19 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.797 0.256 18480 13609 1 19 . 1 1 14 14 GLY N N 14 107.424 107.424 103.222 4.202 18480 13610 1 19 . 1 1 14 14 GLY C C 14 175.952 175.952 174.227 1.725 18480 13611 1 19 . 1 1 14 14 GLY CA C 14 47.190 47.190 44.895 2.295 18480 13612 1 19 . 1 1 14 14 GLY H H 14 8.288 8.288 8.337 -0.049 18480 13613 1 19 . 1 1 15 15 LEU N N 15 122.906 122.906 118.971 3.935 18480 13614 1 19 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.433 -0.403 18480 13615 1 19 . 1 1 15 15 LEU C C 15 178.564 178.564 176.985 1.579 18480 13616 1 19 . 1 1 15 15 LEU CA C 15 57.876 57.876 55.111 2.765 18480 13617 1 19 . 1 1 15 15 LEU CB C 15 42.316 42.316 43.786 -1.470 18480 13618 1 19 . 1 1 15 15 LEU H H 15 7.956 7.956 7.636 0.320 18480 13619 1 19 . 1 1 16 16 ALA N N 16 122.949 122.949 123.725 -0.776 18480 13620 1 19 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.365 -0.260 18480 13621 1 19 . 1 1 16 16 ALA C C 16 179.104 179.104 179.413 -0.309 18480 13622 1 19 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.155 0.825 18480 13623 1 19 . 1 1 16 16 ALA CB C 16 19.135 19.135 19.004 0.131 18480 13624 1 19 . 1 1 16 16 ALA H H 16 7.598 7.598 7.540 0.058 18480 13625 1 19 . 1 1 17 17 GLU N N 17 116.632 116.632 115.964 0.668 18480 13626 1 19 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.108 -0.288 18480 13627 1 19 . 1 1 17 17 GLU C C 17 177.993 177.993 178.679 -0.686 18480 13628 1 19 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.267 0.782 18480 13629 1 19 . 1 1 17 17 GLU CB C 17 28.721 28.721 28.798 -0.077 18480 13630 1 19 . 1 1 17 17 GLU H H 17 8.097 8.097 7.707 0.390 18480 13631 1 19 . 1 1 18 18 ASN N N 18 117.645 117.645 117.956 -0.311 18480 13632 1 19 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.516 -0.089 18480 13633 1 19 . 1 1 18 18 ASN C C 18 178.347 178.347 176.544 1.803 18480 13634 1 19 . 1 1 18 18 ASN CA C 18 56.094 56.094 56.174 -0.080 18480 13635 1 19 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.599 -0.475 18480 13636 1 19 . 1 1 18 18 ASN H H 18 8.196 8.196 8.221 -0.025 18480 13637 1 19 . 1 1 19 19 PHE N N 19 123.188 123.188 122.152 1.036 18480 13638 1 19 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.138 -0.187 18480 13639 1 19 . 1 1 19 19 PHE C C 19 176.837 176.837 176.991 -0.154 18480 13640 1 19 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.229 -0.332 18480 13641 1 19 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.831 0.898 18480 13642 1 19 . 1 1 19 19 PHE H H 19 8.868 8.868 7.422 1.446 18480 13643 1 19 . 1 1 20 20 MET N N 20 118.140 118.140 116.517 1.623 18480 13644 1 19 . 1 1 20 20 MET HA H 20 3.303 3.303 3.660 -0.357 18480 13645 1 19 . 1 1 20 20 MET C C 20 178.924 178.924 178.288 0.636 18480 13646 1 19 . 1 1 20 20 MET CA C 20 60.043 60.043 58.693 1.351 18480 13647 1 19 . 1 1 20 20 MET CB C 20 33.527 33.527 31.254 2.273 18480 13648 1 19 . 1 1 20 20 MET H H 20 7.644 7.644 8.136 -0.492 18480 13649 1 19 . 1 1 21 21 ASN N N 21 116.213 116.213 118.836 -2.623 18480 13650 1 19 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.419 0.034 18480 13651 1 19 . 1 1 21 21 ASN C C 21 178.249 178.249 177.907 0.342 18480 13652 1 19 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.494 -0.545 18480 13653 1 19 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.230 -0.133 18480 13654 1 19 . 1 1 21 21 ASN H H 21 8.169 8.169 7.660 0.509 18480 13655 1 19 . 1 1 22 22 SER N N 22 117.086 117.086 116.414 0.672 18480 13656 1 19 . 1 1 22 22 SER HA H 22 4.152 4.152 4.439 -0.287 18480 13657 1 19 . 1 1 22 22 SER C C 22 178.143 178.143 176.553 1.590 18480 13658 1 19 . 1 1 22 22 SER CA C 22 62.154 62.154 61.416 0.738 18480 13659 1 19 . 1 1 22 22 SER CB C 22 62.709 62.709 62.932 -0.223 18480 13660 1 19 . 1 1 22 22 SER H H 22 8.650 8.650 8.518 0.132 18480 13661 1 19 . 1 1 23 23 PHE N N 23 124.044 124.044 124.988 -0.944 18480 13662 1 19 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.465 -0.597 18480 13663 1 19 . 1 1 23 23 PHE C C 23 175.652 175.652 176.941 -1.289 18480 13664 1 19 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.763 1.355 18480 13665 1 19 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.216 -0.966 18480 13666 1 19 . 1 1 23 23 PHE H H 23 8.394 8.394 8.326 0.068 18480 13667 1 19 . 1 1 24 24 MET N N 24 117.794 117.794 117.816 -0.022 18480 13668 1 19 . 1 1 24 24 MET HA H 24 4.177 4.177 3.774 0.403 18480 13669 1 19 . 1 1 24 24 MET C C 24 179.797 179.797 178.783 1.014 18480 13670 1 19 . 1 1 24 24 MET CA C 24 56.498 56.498 56.968 -0.470 18480 13671 1 19 . 1 1 24 24 MET CB C 24 31.903 31.903 31.137 0.765 18480 13672 1 19 . 1 1 24 24 MET H H 24 7.781 7.781 8.513 -0.732 18480 13673 1 19 . 1 1 25 25 GLN N N 25 119.477 119.477 118.396 1.081 18480 13674 1 19 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.002 -0.038 18480 13675 1 19 . 1 1 25 25 GLN C C 25 179.870 179.870 178.464 1.406 18480 13676 1 19 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.343 0.405 18480 13677 1 19 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.385 -0.001 18480 13678 1 19 . 1 1 25 25 GLN H H 25 8.233 8.233 8.140 0.093 18480 13679 1 19 . 1 1 26 26 GLY N N 26 107.052 107.052 107.287 -0.235 18480 13680 1 19 . 1 1 26 26 GLY C C 26 176.387 176.387 175.832 0.555 18480 13681 1 19 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.988 0.685 18480 13682 1 19 . 1 1 26 26 GLY H H 26 7.936 7.936 7.698 0.238 18480 13683 1 19 . 1 1 27 27 LEU N N 27 122.471 122.471 122.928 -0.457 18480 13684 1 19 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.914 -0.196 18480 13685 1 19 . 1 1 27 27 LEU C C 27 178.564 178.564 178.409 0.155 18480 13686 1 19 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.063 1.130 18480 13687 1 19 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.247 0.446 18480 13688 1 19 . 1 1 27 27 LEU H H 27 8.157 8.157 8.293 -0.136 18480 13689 1 19 . 1 1 28 28 SER N N 28 109.215 109.215 114.090 -4.875 18480 13690 1 19 . 1 1 28 28 SER HA H 28 4.064 4.064 4.194 -0.130 18480 13691 1 19 . 1 1 28 28 SER C C 28 174.421 174.421 175.289 -0.868 18480 13692 1 19 . 1 1 28 28 SER CA C 28 61.444 61.444 60.458 0.986 18480 13693 1 19 . 1 1 28 28 SER CB C 28 63.210 63.210 62.880 0.330 18480 13694 1 19 . 1 1 28 28 SER H H 28 7.469 7.469 7.984 -0.515 18480 13695 1 19 . 1 1 29 29 SER N N 29 114.308 114.308 114.976 -0.668 18480 13696 1 19 . 1 1 29 29 SER HA H 29 4.667 4.667 4.547 0.120 18480 13697 1 19 . 1 1 29 29 SER C C 29 173.970 173.970 173.424 0.546 18480 13698 1 19 . 1 1 29 29 SER CA C 29 57.914 57.914 58.136 -0.222 18480 13699 1 19 . 1 1 29 29 SER CB C 29 64.359 64.359 63.578 0.781 18480 13700 1 19 . 1 1 29 29 SER H H 29 7.383 7.383 7.532 -0.149 18480 13701 1 19 . 1 1 30 30 MET N N 30 122.604 122.604 122.486 0.118 18480 13702 1 19 . 1 1 30 30 MET HA H 30 4.882 4.882 4.937 -0.055 18480 13703 1 19 . 1 1 30 30 MET C C 30 174.195 174.195 175.602 -1.407 18480 13704 1 19 . 1 1 30 30 MET CA C 30 53.753 53.753 51.993 1.760 18480 13705 1 19 . 1 1 30 30 MET CB C 30 32.013 32.013 31.123 0.890 18480 13706 1 19 . 1 1 30 30 MET H H 30 7.804 7.804 7.618 0.186 18480 13707 1 19 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.503 0.163 18480 13708 1 19 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.341 -0.644 18480 13709 1 19 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.177 0.776 18480 13710 1 19 . 1 1 32 32 GLY N N 32 104.648 104.648 106.293 -1.645 18480 13711 1 19 . 1 1 32 32 GLY C C 32 172.454 172.454 173.837 -1.383 18480 13712 1 19 . 1 1 32 32 GLY CA C 32 45.421 45.421 44.791 0.630 18480 13713 1 19 . 1 1 32 32 GLY H H 32 8.363 8.363 7.856 0.507 18480 13714 1 19 . 1 1 33 33 PHE N N 33 116.917 116.917 119.527 -2.610 18480 13715 1 19 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.844 0.443 18480 13716 1 19 . 1 1 33 33 PHE C C 33 176.387 176.387 175.448 0.939 18480 13717 1 19 . 1 1 33 33 PHE CA C 33 56.902 56.902 56.948 -0.046 18480 13718 1 19 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.372 -0.082 18480 13719 1 19 . 1 1 33 33 PHE H H 33 8.118 8.118 7.431 0.687 18480 13720 1 19 . 1 1 34 34 THR N N 34 113.457 113.457 115.335 -1.878 18480 13721 1 19 . 1 1 34 34 THR HA H 34 4.494 4.494 4.620 -0.126 18480 13722 1 19 . 1 1 34 34 THR C C 34 175.066 175.066 175.160 -0.094 18480 13723 1 19 . 1 1 34 34 THR CA C 34 59.946 59.946 60.099 -0.153 18480 13724 1 19 . 1 1 34 34 THR CB C 34 70.967 70.967 70.177 0.790 18480 13725 1 19 . 1 1 34 34 THR H H 34 8.727 8.727 8.247 0.480 18480 13726 1 19 . 1 1 35 35 ALA N N 35 122.737 122.737 123.263 -0.526 18480 13727 1 19 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.314 -0.229 18480 13728 1 19 . 1 1 35 35 ALA C C 35 180.755 180.755 179.454 1.301 18480 13729 1 19 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.411 1.112 18480 13730 1 19 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.535 -0.465 18480 13731 1 19 . 1 1 35 35 ALA H H 35 8.913 8.913 8.596 0.317 18480 13732 1 19 . 1 1 36 36 SER N N 36 113.331 113.331 113.900 -0.569 18480 13733 1 19 . 1 1 36 36 SER HA H 36 4.244 4.244 4.322 -0.078 18480 13734 1 19 . 1 1 36 36 SER C C 36 177.033 177.033 177.074 -0.041 18480 13735 1 19 . 1 1 36 36 SER CA C 36 61.453 61.453 60.621 0.832 18480 13736 1 19 . 1 1 36 36 SER CB C 36 62.529 62.529 63.189 -0.660 18480 13737 1 19 . 1 1 36 36 SER H H 36 8.347 8.347 8.165 0.182 18480 13738 1 19 . 1 1 37 37 GLN N N 37 122.548 122.548 122.728 -0.180 18480 13739 1 19 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.369 -0.310 18480 13740 1 19 . 1 1 37 37 GLN C C 37 179.149 179.149 178.068 1.081 18480 13741 1 19 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.504 0.463 18480 13742 1 19 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.373 -0.352 18480 13743 1 19 . 1 1 37 37 GLN H H 37 7.500 7.500 8.218 -0.718 18480 13744 1 19 . 1 1 38 38 LEU N N 38 117.948 117.948 118.899 -0.951 18480 13745 1 19 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.111 -0.219 18480 13746 1 19 . 1 1 38 38 LEU C C 38 179.675 179.675 178.475 1.200 18480 13747 1 19 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.394 0.565 18480 13748 1 19 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.101 0.392 18480 13749 1 19 . 1 1 38 38 LEU H H 38 8.217 8.217 7.753 0.464 18480 13750 1 19 . 1 1 39 39 ASP N N 39 120.923 120.923 120.260 0.663 18480 13751 1 19 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.434 -0.023 18480 13752 1 19 . 1 1 39 39 ASP C C 39 179.224 179.224 178.179 1.045 18480 13753 1 19 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.694 -0.088 18480 13754 1 19 . 1 1 39 39 ASP CB C 39 41.828 41.828 41.250 0.578 18480 13755 1 19 . 1 1 39 39 ASP H H 39 8.192 8.192 7.995 0.197 18480 13756 1 19 . 1 1 40 40 ASP N N 40 123.608 123.608 120.557 3.051 18480 13757 1 19 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.382 -0.165 18480 13758 1 19 . 1 1 40 40 ASP C C 40 179.600 179.600 178.716 0.884 18480 13759 1 19 . 1 1 40 40 ASP CA C 40 58.640 58.640 57.565 1.075 18480 13760 1 19 . 1 1 40 40 ASP CB C 40 39.312 39.312 40.942 -1.630 18480 13761 1 19 . 1 1 40 40 ASP H H 40 8.366 8.366 7.667 0.699 18480 13762 1 19 . 1 1 41 41 MET N N 41 118.772 118.772 116.713 2.059 18480 13763 1 19 . 1 1 41 41 MET HA H 41 3.638 3.638 4.297 -0.659 18480 13764 1 19 . 1 1 41 41 MET C C 41 177.693 177.693 178.328 -0.635 18480 13765 1 19 . 1 1 41 41 MET CA C 41 60.513 60.513 59.375 1.138 18480 13766 1 19 . 1 1 41 41 MET CB C 41 34.320 34.320 32.171 2.149 18480 13767 1 19 . 1 1 41 41 MET H H 41 8.423 8.423 7.933 0.490 18480 13768 1 19 . 1 1 42 42 SER N N 42 115.040 115.040 116.736 -1.696 18480 13769 1 19 . 1 1 42 42 SER HA H 42 4.168 4.168 4.224 -0.056 18480 13770 1 19 . 1 1 42 42 SER C C 42 177.483 177.483 176.711 0.772 18480 13771 1 19 . 1 1 42 42 SER CA C 42 61.923 61.923 62.336 -0.413 18480 13772 1 19 . 1 1 42 42 SER CB C 42 63.084 63.084 62.998 0.086 18480 13773 1 19 . 1 1 42 42 SER H H 42 8.901 8.901 8.018 0.883 18480 13774 1 19 . 1 1 43 43 THR N N 43 118.747 118.747 119.108 -0.361 18480 13775 1 19 . 1 1 43 43 THR HA H 43 3.914 3.914 4.110 -0.196 18480 13776 1 19 . 1 1 43 43 THR C C 43 177.258 177.258 176.977 0.281 18480 13777 1 19 . 1 1 43 43 THR CA C 43 67.017 67.017 67.165 -0.148 18480 13778 1 19 . 1 1 43 43 THR CB C 43 69.500 69.500 68.700 0.800 18480 13779 1 19 . 1 1 43 43 THR H H 43 8.479 8.479 8.022 0.457 18480 13780 1 19 . 1 1 44 44 ILE N N 44 121.898 121.898 122.081 -0.183 18480 13781 1 19 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.751 -0.048 18480 13782 1 19 . 1 1 44 44 ILE C C 44 178.564 178.564 177.509 1.055 18480 13783 1 19 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.311 -1.247 18480 13784 1 19 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.457 -1.248 18480 13785 1 19 . 1 1 44 44 ILE H H 44 7.807 7.807 7.999 -0.192 18480 13786 1 19 . 1 1 45 45 ALA N N 45 124.002 124.002 123.239 0.763 18480 13787 1 19 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.703 0.339 18480 13788 1 19 . 1 1 45 45 ALA C C 45 179.404 179.404 179.585 -0.181 18480 13789 1 19 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.838 0.703 18480 13790 1 19 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.046 0.412 18480 13791 1 19 . 1 1 45 45 ALA H H 45 9.145 9.145 8.846 0.299 18480 13792 1 19 . 1 1 46 46 GLN N N 46 115.753 115.753 117.558 -1.805 18480 13793 1 19 . 1 1 46 46 GLN HA H 46 4.023 4.023 3.996 0.027 18480 13794 1 19 . 1 1 46 46 GLN C C 46 179.014 179.014 178.730 0.284 18480 13795 1 19 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.653 0.300 18480 13796 1 19 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.217 0.183 18480 13797 1 19 . 1 1 46 46 GLN H H 46 8.459 8.459 7.917 0.542 18480 13798 1 19 . 1 1 47 47 SER N N 47 116.041 116.041 116.625 -0.584 18480 13799 1 19 . 1 1 47 47 SER HA H 47 4.258 4.258 4.194 0.064 18480 13800 1 19 . 1 1 47 47 SER C C 47 177.483 177.483 176.993 0.490 18480 13801 1 19 . 1 1 47 47 SER CA C 47 62.328 62.328 62.018 0.310 18480 13802 1 19 . 1 1 47 47 SER CB C 47 63.154 63.154 62.853 0.301 18480 13803 1 19 . 1 1 47 47 SER H H 47 7.961 7.961 8.158 -0.197 18480 13804 1 19 . 1 1 48 48 MET N N 48 122.349 122.349 120.577 1.772 18480 13805 1 19 . 1 1 48 48 MET HA H 48 4.376 4.376 4.313 0.063 18480 13806 1 19 . 1 1 48 48 MET C C 48 177.798 177.798 178.132 -0.334 18480 13807 1 19 . 1 1 48 48 MET CA C 48 58.198 58.198 57.477 0.721 18480 13808 1 19 . 1 1 48 48 MET CB C 48 32.102 32.102 32.039 0.063 18480 13809 1 19 . 1 1 48 48 MET H H 48 8.508 8.508 8.275 0.233 18480 13810 1 19 . 1 1 49 49 VAL N N 49 122.061 122.061 120.912 1.149 18480 13811 1 19 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.570 -0.128 18480 13812 1 19 . 1 1 49 49 VAL C C 49 177.910 177.910 178.607 -0.697 18480 13813 1 19 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.971 0.952 18480 13814 1 19 . 1 1 49 49 VAL CB C 49 31.759 31.759 31.448 0.311 18480 13815 1 19 . 1 1 49 49 VAL H H 49 8.541 8.541 8.632 -0.091 18480 13816 1 19 . 1 1 50 50 GLN N N 50 118.465 118.465 117.988 0.477 18480 13817 1 19 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.083 -0.026 18480 13818 1 19 . 1 1 50 50 GLN C C 50 179.449 179.449 178.637 0.812 18480 13819 1 19 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.381 0.644 18480 13820 1 19 . 1 1 50 50 GLN CB C 50 28.007 28.007 27.991 0.016 18480 13821 1 19 . 1 1 50 50 GLN H H 50 8.165 8.165 8.467 -0.302 18480 13822 1 19 . 1 1 51 51 SER N N 51 117.659 117.659 117.145 0.514 18480 13823 1 19 . 1 1 51 51 SER HA H 51 3.854 3.854 4.163 -0.309 18480 13824 1 19 . 1 1 51 51 SER C C 51 176.374 176.374 176.486 -0.112 18480 13825 1 19 . 1 1 51 51 SER CA C 51 62.642 62.642 61.786 0.856 18480 13826 1 19 . 1 1 51 51 SER CB C 51 63.039 63.039 62.743 0.296 18480 13827 1 19 . 1 1 51 51 SER H H 51 8.199 8.199 7.660 0.539 18480 13828 1 19 . 1 1 52 52 ILE N N 52 122.930 122.930 121.870 1.060 18480 13829 1 19 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.580 -0.200 18480 13830 1 19 . 1 1 52 52 ILE C C 52 178.684 178.684 177.943 0.741 18480 13831 1 19 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.283 1.032 18480 13832 1 19 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.789 -0.241 18480 13833 1 19 . 1 1 52 52 ILE H H 52 8.068 8.068 8.326 -0.258 18480 13834 1 19 . 1 1 53 53 GLN N N 53 118.774 118.774 118.821 -0.047 18480 13835 1 19 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.985 -0.072 18480 13836 1 19 . 1 1 53 53 GLN C C 53 179.014 179.014 178.750 0.264 18480 13837 1 19 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.130 0.038 18480 13838 1 19 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.452 -0.435 18480 13839 1 19 . 1 1 53 53 GLN H H 53 8.459 8.459 7.745 0.714 18480 13840 1 19 . 1 1 54 54 SER N N 54 115.452 115.452 117.678 -2.226 18480 13841 1 19 . 1 1 54 54 SER HA H 54 4.294 4.294 4.188 0.106 18480 13842 1 19 . 1 1 54 54 SER C C 54 176.822 176.822 176.590 0.232 18480 13843 1 19 . 1 1 54 54 SER CA C 54 61.276 61.276 62.565 -1.289 18480 13844 1 19 . 1 1 54 54 SER CB C 54 62.873 62.873 62.826 0.047 18480 13845 1 19 . 1 1 54 54 SER H H 54 8.330 8.330 8.262 0.068 18480 13846 1 19 . 1 1 55 55 LEU N N 55 121.066 121.066 121.336 -0.270 18480 13847 1 19 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.034 -0.053 18480 13848 1 19 . 1 1 55 55 LEU C C 55 179.434 179.434 178.657 0.777 18480 13849 1 19 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.768 0.208 18480 13850 1 19 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.370 1.236 18480 13851 1 19 . 1 1 55 55 LEU H H 55 8.211 8.211 8.291 -0.080 18480 13852 1 19 . 1 1 56 56 ALA N N 56 122.497 122.497 122.130 0.367 18480 13853 1 19 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.119 0.030 18480 13854 1 19 . 1 1 56 56 ALA C C 56 180.530 180.530 179.485 1.045 18480 13855 1 19 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.532 0.537 18480 13856 1 19 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.261 -0.299 18480 13857 1 19 . 1 1 56 56 ALA H H 56 8.902 8.902 8.188 0.714 18480 13858 1 19 . 1 1 57 57 ALA N N 57 122.922 122.922 120.554 2.368 18480 13859 1 19 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.101 0.056 18480 13860 1 19 . 1 1 57 57 ALA C C 57 179.344 179.344 179.462 -0.118 18480 13861 1 19 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.309 0.689 18480 13862 1 19 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.648 -0.620 18480 13863 1 19 . 1 1 57 57 ALA H H 57 8.140 8.140 7.950 0.190 18480 13864 1 19 . 1 1 58 58 GLN N N 58 113.359 113.359 115.892 -2.533 18480 13865 1 19 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.331 0.031 18480 13866 1 19 . 1 1 58 58 GLN C C 58 176.612 176.612 176.278 0.334 18480 13867 1 19 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.461 0.137 18480 13868 1 19 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.417 1.658 18480 13869 1 19 . 1 1 58 58 GLN H H 58 7.415 7.415 7.782 -0.367 18480 13870 1 19 . 1 1 59 59 GLY N N 59 109.012 109.012 107.836 1.176 18480 13871 1 19 . 1 1 59 59 GLY C C 59 174.856 174.856 174.633 0.223 18480 13872 1 19 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.853 0.908 18480 13873 1 19 . 1 1 59 59 GLY H H 59 7.979 7.979 7.725 0.254 18480 13874 1 19 . 1 1 60 60 ARG N N 60 115.906 115.906 116.663 -0.757 18480 13875 1 19 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.574 0.028 18480 13876 1 19 . 1 1 60 60 ARG C C 60 175.847 175.847 176.138 -0.291 18480 13877 1 19 . 1 1 60 60 ARG CA C 60 55.808 55.808 53.978 1.829 18480 13878 1 19 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.225 2.181 18480 13879 1 19 . 1 1 60 60 ARG H H 60 8.126 8.126 8.524 -0.398 18480 13880 1 19 . 1 1 61 61 THR N N 61 107.985 107.985 116.034 -8.049 18480 13881 1 19 . 1 1 61 61 THR HA H 61 4.125 4.125 4.296 -0.171 18480 13882 1 19 . 1 1 61 61 THR C C 61 173.654 173.654 174.057 -0.403 18480 13883 1 19 . 1 1 61 61 THR CA C 61 62.194 62.194 63.155 -0.961 18480 13884 1 19 . 1 1 61 61 THR CB C 61 69.512 69.512 68.746 0.766 18480 13885 1 19 . 1 1 61 61 THR H H 61 7.663 7.663 7.761 -0.098 18480 13886 1 19 . 1 1 62 62 SER N N 62 113.733 113.733 121.758 -8.025 18480 13887 1 19 . 1 1 62 62 SER HA H 62 4.973 4.973 4.932 0.041 18480 13888 1 19 . 1 1 62 62 SER C C 62 173.207 173.207 173.347 -0.140 18480 13889 1 19 . 1 1 62 62 SER CA C 62 56.343 56.343 56.145 0.198 18480 13890 1 19 . 1 1 62 62 SER CB C 62 63.992 63.992 65.351 -1.359 18480 13891 1 19 . 1 1 62 62 SER H H 62 7.057 7.057 7.979 -0.922 18480 13892 1 19 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.834 -0.132 18480 13893 1 19 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.731 0.569 18480 13894 1 19 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.022 0.214 18480 13895 1 19 . 1 1 64 64 ASN N N 64 114.886 114.886 117.712 -2.826 18480 13896 1 19 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.380 0.022 18480 13897 1 19 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.934 0.317 18480 13898 1 19 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.180 0.857 18480 13899 1 19 . 1 1 64 64 ASN H H 64 8.642 8.642 8.590 0.052 18480 13900 1 19 . 1 1 65 65 LYS N N 65 119.774 119.774 121.885 -2.111 18480 13901 1 19 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.048 -0.242 18480 13902 1 19 . 1 1 65 65 LYS C C 65 178.999 178.999 179.103 -0.104 18480 13903 1 19 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.031 1.847 18480 13904 1 19 . 1 1 65 65 LYS CB C 65 33.237 33.237 31.966 1.271 18480 13905 1 19 . 1 1 65 65 LYS H H 65 7.882 7.882 7.952 -0.070 18480 13906 1 19 . 1 1 66 66 LEU N N 66 117.686 117.686 119.530 -1.844 18480 13907 1 19 . 1 1 66 66 LEU HA H 66 4.022 4.022 3.972 0.050 18480 13908 1 19 . 1 1 66 66 LEU C C 66 178.928 178.928 178.747 0.181 18480 13909 1 19 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.862 0.055 18480 13910 1 19 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.731 -0.198 18480 13911 1 19 . 1 1 66 66 LEU H H 66 8.666 8.666 8.478 0.188 18480 13912 1 19 . 1 1 67 67 GLN N N 67 124.469 124.469 119.404 5.065 18480 13913 1 19 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.551 -0.259 18480 13914 1 19 . 1 1 67 67 GLN C C 67 178.789 178.789 177.928 0.861 18480 13915 1 19 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.837 1.054 18480 13916 1 19 . 1 1 67 67 GLN CB C 67 28.159 28.159 27.959 0.201 18480 13917 1 19 . 1 1 67 67 GLN H H 67 8.997 8.997 8.069 0.928 18480 13918 1 19 . 1 1 68 68 ALA N N 68 121.986 121.986 122.174 -0.188 18480 13919 1 19 . 1 1 68 68 ALA HA H 68 3.810 3.810 3.961 -0.151 18480 13920 1 19 . 1 1 68 68 ALA C C 68 180.320 180.320 179.796 0.524 18480 13921 1 19 . 1 1 68 68 ALA CA C 68 55.503 55.503 55.001 0.502 18480 13922 1 19 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.087 0.125 18480 13923 1 19 . 1 1 68 68 ALA H H 68 7.427 7.427 7.983 -0.556 18480 13924 1 19 . 1 1 69 69 LEU N N 69 118.881 118.881 118.598 0.283 18480 13925 1 19 . 1 1 69 69 LEU HA H 69 4.052 4.052 3.939 0.113 18480 13926 1 19 . 1 1 69 69 LEU C C 69 178.864 178.864 179.051 -0.187 18480 13927 1 19 . 1 1 69 69 LEU CA C 69 57.747 57.747 57.788 -0.041 18480 13928 1 19 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.452 0.442 18480 13929 1 19 . 1 1 69 69 LEU H H 69 8.143 8.143 7.794 0.349 18480 13930 1 19 . 1 1 70 70 ASN N N 70 119.848 119.848 118.428 1.420 18480 13931 1 19 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.457 -0.067 18480 13932 1 19 . 1 1 70 70 ASN C C 70 177.483 177.483 177.835 -0.352 18480 13933 1 19 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.184 1.600 18480 13934 1 19 . 1 1 70 70 ASN CB C 70 39.472 39.472 38.043 1.429 18480 13935 1 19 . 1 1 70 70 ASN H H 70 8.456 8.456 7.907 0.549 18480 13936 1 19 . 1 1 71 71 MET N N 71 118.843 118.843 118.730 0.113 18480 13937 1 19 . 1 1 71 71 MET HA H 71 4.769 4.769 4.367 0.402 18480 13938 1 19 . 1 1 71 71 MET C C 71 178.279 178.279 178.308 -0.029 18480 13939 1 19 . 1 1 71 71 MET CA C 71 56.415 56.415 57.107 -0.692 18480 13940 1 19 . 1 1 71 71 MET CB C 71 29.788 29.788 31.456 -1.667 18480 13941 1 19 . 1 1 71 71 MET H H 71 7.757 7.757 8.171 -0.414 18480 13942 1 19 . 1 1 72 72 ALA N N 72 126.265 126.265 122.977 3.288 18480 13943 1 19 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.063 0.179 18480 13944 1 19 . 1 1 72 72 ALA C C 72 179.059 179.059 179.634 -0.575 18480 13945 1 19 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.217 -0.091 18480 13946 1 19 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.963 0.960 18480 13947 1 19 . 1 1 72 72 ALA H H 72 8.559 8.559 8.372 0.187 18480 13948 1 19 . 1 1 73 73 PHE N N 73 118.887 118.887 120.301 -1.414 18480 13949 1 19 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.363 -0.300 18480 13950 1 19 . 1 1 73 73 PHE C C 73 177.258 177.258 177.351 -0.093 18480 13951 1 19 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.474 0.598 18480 13952 1 19 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.262 0.043 18480 13953 1 19 . 1 1 73 73 PHE H H 73 8.337 8.337 8.323 0.014 18480 13954 1 19 . 1 1 74 74 ALA N N 74 122.360 122.360 121.390 0.970 18480 13955 1 19 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.752 -0.521 18480 13956 1 19 . 1 1 74 74 ALA C C 74 179.374 179.374 179.505 -0.131 18480 13957 1 19 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.957 0.859 18480 13958 1 19 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.085 0.796 18480 13959 1 19 . 1 1 74 74 ALA H H 74 8.540 8.540 8.513 0.027 18480 13960 1 19 . 1 1 75 75 SER N N 75 112.265 112.265 114.294 -2.029 18480 13961 1 19 . 1 1 75 75 SER HA H 75 3.858 3.858 4.294 -0.436 18480 13962 1 19 . 1 1 75 75 SER CA C 75 62.251 62.251 61.180 1.071 18480 13963 1 19 . 1 1 75 75 SER CB C 75 62.874 62.874 62.901 -0.027 18480 13964 1 19 . 1 1 75 75 SER H H 75 8.859 8.859 8.399 0.460 18480 13965 1 19 . 1 1 76 76 SER N N 76 118.859 118.859 118.468 0.391 18480 13966 1 19 . 1 1 76 76 SER HA H 76 3.964 3.964 4.535 -0.571 18480 13967 1 19 . 1 1 76 76 SER CA C 76 63.066 63.066 61.208 1.858 18480 13968 1 19 . 1 1 76 76 SER CB C 76 63.377 63.377 62.948 0.429 18480 13969 1 19 . 1 1 76 76 SER H H 76 8.065 8.065 7.700 0.365 18480 13970 1 19 . 1 1 77 77 MET N N 77 120.030 120.030 122.114 -2.084 18480 13971 1 19 . 1 1 77 77 MET HA H 77 4.234 4.234 4.155 0.079 18480 13972 1 19 . 1 1 77 77 MET C C 77 178.354 178.354 178.534 -0.180 18480 13973 1 19 . 1 1 77 77 MET CA C 77 57.167 57.167 56.748 0.418 18480 13974 1 19 . 1 1 77 77 MET CB C 77 32.728 32.728 30.744 1.984 18480 13975 1 19 . 1 1 77 77 MET H H 77 7.397 7.397 7.750 -0.353 18480 13976 1 19 . 1 1 78 78 ALA N N 78 119.880 119.880 121.984 -2.104 18480 13977 1 19 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.129 -0.226 18480 13978 1 19 . 1 1 78 78 ALA C C 78 178.354 178.354 179.548 -1.194 18480 13979 1 19 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.480 -0.340 18480 13980 1 19 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.035 1.067 18480 13981 1 19 . 1 1 78 78 ALA H H 78 7.908 7.908 7.906 0.002 18480 13982 1 19 . 1 1 79 79 GLU N N 79 117.907 117.907 120.043 -2.136 18480 13983 1 19 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.798 0.141 18480 13984 1 19 . 1 1 79 79 GLU C C 79 178.894 178.894 179.083 -0.189 18480 13985 1 19 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.373 0.327 18480 13986 1 19 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.490 0.157 18480 13987 1 19 . 1 1 79 79 GLU H H 79 8.576 8.576 7.979 0.597 18480 13988 1 19 . 1 1 80 80 ILE N N 80 121.918 121.918 119.570 2.348 18480 13989 1 19 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.674 -0.072 18480 13990 1 19 . 1 1 80 80 ILE C C 80 179.014 179.014 178.000 1.014 18480 13991 1 19 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.827 0.304 18480 13992 1 19 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.807 -0.182 18480 13993 1 19 . 1 1 80 80 ILE H H 80 8.065 8.065 8.357 -0.292 18480 13994 1 19 . 1 1 81 81 ALA N N 81 120.266 120.266 122.361 -2.095 18480 13995 1 19 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.041 0.107 18480 13996 1 19 . 1 1 81 81 ALA C C 81 177.258 177.258 179.284 -2.026 18480 13997 1 19 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.818 0.322 18480 13998 1 19 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.680 0.475 18480 13999 1 19 . 1 1 81 81 ALA H H 81 8.169 8.169 8.055 0.114 18480 14000 1 19 . 1 1 82 82 ALA N N 82 114.813 114.813 119.921 -5.108 18480 14001 1 19 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.039 0.012 18480 14002 1 19 . 1 1 82 82 ALA C C 82 177.693 177.693 179.505 -1.812 18480 14003 1 19 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.628 -0.861 18480 14004 1 19 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.059 2.940 18480 14005 1 19 . 1 1 82 82 ALA H H 82 8.019 8.019 8.526 -0.507 18480 14006 1 19 . 1 1 83 83 SER N N 83 110.140 110.140 114.732 -4.592 18480 14007 1 19 . 1 1 83 83 SER HA H 83 4.415 4.415 4.320 0.095 18480 14008 1 19 . 1 1 83 83 SER C C 83 174.856 174.856 175.211 -0.355 18480 14009 1 19 . 1 1 83 83 SER CA C 83 59.772 59.772 60.979 -1.207 18480 14010 1 19 . 1 1 83 83 SER CB C 83 64.952 64.952 63.669 1.284 18480 14011 1 19 . 1 1 83 83 SER H H 83 7.823 7.823 7.732 0.091 18480 14012 1 19 . 1 1 84 84 GLU N N 84 120.696 120.696 118.565 2.131 18480 14013 1 19 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.594 -0.093 18480 14014 1 19 . 1 1 84 84 GLU C C 84 176.597 176.597 174.979 1.618 18480 14015 1 19 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.429 1.167 18480 14016 1 19 . 1 1 84 84 GLU CB C 84 28.537 28.537 33.252 -4.715 18480 14017 1 19 . 1 1 84 84 GLU H H 84 7.666 7.666 7.687 -0.021 18480 14018 1 19 . 1 1 85 85 GLU N N 85 124.951 124.951 117.523 7.428 18480 14019 1 19 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.410 -0.148 18480 14020 1 19 . 1 1 85 85 GLU C C 85 177.258 177.258 175.353 1.905 18480 14021 1 19 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.147 1.698 18480 14022 1 19 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.689 -0.885 18480 14023 1 19 . 1 1 85 85 GLU H H 85 8.735 8.735 8.390 0.345 18480 14024 1 19 . 1 1 86 86 GLY N N 86 110.356 110.356 106.760 3.596 18480 14025 1 19 . 1 1 86 86 GLY C C 86 174.856 174.856 174.460 0.396 18480 14026 1 19 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.477 -1.087 18480 14027 1 19 . 1 1 86 86 GLY H H 86 8.609 8.609 8.252 0.357 18480 14028 1 19 . 1 1 87 87 GLY N N 87 107.569 107.569 109.722 -2.153 18480 14029 1 19 . 1 1 87 87 GLY C C 87 174.436 174.436 174.294 0.142 18480 14030 1 19 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.296 -0.036 18480 14031 1 19 . 1 1 87 87 GLY H H 87 7.931 7.931 8.548 -0.617 18480 14032 1 19 . 1 1 88 88 GLY N N 88 109.889 109.889 105.976 3.913 18480 14033 1 19 . 1 1 88 88 GLY C C 88 173.325 173.325 172.726 0.599 18480 14034 1 19 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.796 0.370 18480 14035 1 19 . 1 1 88 88 GLY H H 88 8.650 8.650 7.187 1.463 18480 14036 1 19 . 1 1 89 89 SER N N 89 114.731 114.731 114.525 0.206 18480 14037 1 19 . 1 1 89 89 SER HA H 89 4.411 4.411 5.240 -0.829 18480 14038 1 19 . 1 1 89 89 SER C C 89 175.066 175.066 175.573 -0.507 18480 14039 1 19 . 1 1 89 89 SER CA C 89 57.363 57.363 55.924 1.439 18480 14040 1 19 . 1 1 89 89 SER CB C 89 62.483 62.483 65.665 -3.182 18480 14041 1 19 . 1 1 89 89 SER H H 89 8.640 8.640 8.344 0.296 18480 14042 1 19 . 1 1 90 90 LEU N N 90 123.210 123.210 124.247 -1.037 18480 14043 1 19 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.022 -0.047 18480 14044 1 19 . 1 1 90 90 LEU C C 90 179.434 179.434 178.282 1.152 18480 14045 1 19 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.298 0.045 18480 14046 1 19 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.792 -0.428 18480 14047 1 19 . 1 1 90 90 LEU H H 90 8.976 8.976 8.741 0.235 18480 14048 1 19 . 1 1 91 91 SER N N 91 115.789 115.789 111.377 4.412 18480 14049 1 19 . 1 1 91 91 SER HA H 91 4.149 4.149 4.168 -0.019 18480 14050 1 19 . 1 1 91 91 SER C C 91 177.325 177.325 176.151 1.174 18480 14051 1 19 . 1 1 91 91 SER CA C 91 61.794 61.794 61.433 0.361 18480 14052 1 19 . 1 1 91 91 SER CB C 91 62.276 62.276 62.527 -0.251 18480 14053 1 19 . 1 1 91 91 SER H H 91 8.612 8.612 8.387 0.225 18480 14054 1 19 . 1 1 92 92 THR N N 92 122.677 122.677 119.499 3.178 18480 14055 1 19 . 1 1 92 92 THR HA H 92 3.919 3.919 4.085 -0.166 18480 14056 1 19 . 1 1 92 92 THR C C 92 176.162 176.162 176.582 -0.420 18480 14057 1 19 . 1 1 92 92 THR CA C 92 66.719 66.719 66.681 0.038 18480 14058 1 19 . 1 1 92 92 THR CB C 92 68.236 68.236 68.632 -0.396 18480 14059 1 19 . 1 1 92 92 THR H H 92 7.871 7.871 7.397 0.474 18480 14060 1 19 . 1 1 93 93 LYS N N 93 119.820 119.820 120.531 -0.711 18480 14061 1 19 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.071 -0.502 18480 14062 1 19 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.426 1.226 18480 14063 1 19 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.521 2.207 18480 14064 1 19 . 1 1 93 93 LYS H H 93 8.263 8.263 8.210 0.053 18480 14065 1 19 . 1 1 94 94 THR N N 94 113.759 113.759 117.305 -3.546 18480 14066 1 19 . 1 1 94 94 THR HA H 94 3.692 3.692 4.154 -0.462 18480 14067 1 19 . 1 1 94 94 THR C C 94 177.033 177.033 176.601 0.432 18480 14068 1 19 . 1 1 94 94 THR CA C 94 68.122 68.122 67.303 0.819 18480 14069 1 19 . 1 1 94 94 THR CB C 94 68.342 68.342 68.475 -0.133 18480 14070 1 19 . 1 1 94 94 THR H H 94 8.448 8.448 7.839 0.609 18480 14071 1 19 . 1 1 95 95 SER N N 95 117.547 117.547 118.102 -0.555 18480 14072 1 19 . 1 1 95 95 SER HA H 95 4.262 4.262 4.281 -0.019 18480 14073 1 19 . 1 1 95 95 SER C C 95 177.828 177.828 176.707 1.121 18480 14074 1 19 . 1 1 95 95 SER CA C 95 61.758 61.758 61.986 -0.228 18480 14075 1 19 . 1 1 95 95 SER CB C 95 62.667 62.667 62.822 -0.155 18480 14076 1 19 . 1 1 95 95 SER H H 95 8.173 8.173 7.777 0.396 18480 14077 1 19 . 1 1 96 96 SER N N 96 121.366 121.366 119.112 2.254 18480 14078 1 19 . 1 1 96 96 SER HA H 96 4.035 4.035 4.294 -0.259 18480 14079 1 19 . 1 1 96 96 SER CA C 96 62.467 62.467 62.420 0.047 18480 14080 1 19 . 1 1 96 96 SER CB C 96 61.755 61.755 63.107 -1.352 18480 14081 1 19 . 1 1 96 96 SER H H 96 8.830 8.830 7.991 0.839 18480 14082 1 19 . 1 1 97 97 ILE N N 97 121.943 121.943 122.642 -0.699 18480 14083 1 19 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.823 -0.014 18480 14084 1 19 . 1 1 97 97 ILE C C 97 177.693 177.693 177.879 -0.186 18480 14085 1 19 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.606 0.437 18480 14086 1 19 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.818 -0.282 18480 14087 1 19 . 1 1 97 97 ILE H H 97 8.380 8.380 8.069 0.311 18480 14088 1 19 . 1 1 98 98 ALA N N 98 122.507 122.507 123.103 -0.596 18480 14089 1 19 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.026 0.014 18480 14090 1 19 . 1 1 98 98 ALA C C 98 180.740 180.740 179.765 0.975 18480 14091 1 19 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.651 0.737 18480 14092 1 19 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.030 0.124 18480 14093 1 19 . 1 1 98 98 ALA H H 98 8.624 8.624 8.573 0.051 18480 14094 1 19 . 1 1 99 99 SER N N 99 115.850 115.850 115.253 0.597 18480 14095 1 19 . 1 1 99 99 SER HA H 99 4.325 4.325 4.123 0.202 18480 14096 1 19 . 1 1 99 99 SER C C 99 177.168 177.168 176.639 0.529 18480 14097 1 19 . 1 1 99 99 SER CA C 99 61.867 61.867 62.650 -0.783 18480 14098 1 19 . 1 1 99 99 SER CB C 99 63.200 63.200 63.078 0.123 18480 14099 1 19 . 1 1 99 99 SER H H 99 8.667 8.667 8.317 0.350 18480 14100 1 19 . 1 1 100 100 ALA N N 100 124.410 124.410 125.195 -0.785 18480 14101 1 19 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.933 -0.791 18480 14102 1 19 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.390 0.998 18480 14103 1 19 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.589 0.038 18480 14104 1 19 . 1 1 100 100 ALA H H 100 8.744 8.744 7.757 0.987 18480 14105 1 19 . 1 1 101 101 MET N N 101 119.346 119.346 118.333 1.013 18480 14106 1 19 . 1 1 101 101 MET HA H 101 4.368 4.368 4.439 -0.071 18480 14107 1 19 . 1 1 101 101 MET CA C 101 59.163 59.163 57.508 1.655 18480 14108 1 19 . 1 1 101 101 MET CB C 101 33.233 33.233 31.932 1.301 18480 14109 1 19 . 1 1 101 101 MET H H 101 9.152 9.152 9.017 0.135 18480 14110 1 19 . 1 1 102 102 SER N N 102 117.124 117.124 115.342 1.782 18480 14111 1 19 . 1 1 102 102 SER HA H 102 4.382 4.382 4.169 0.213 18480 14112 1 19 . 1 1 102 102 SER CA C 102 63.424 63.424 62.672 0.752 18480 14113 1 19 . 1 1 102 102 SER CB C 102 62.639 62.639 62.969 -0.330 18480 14114 1 19 . 1 1 102 102 SER H H 102 8.766 8.766 8.347 0.419 18480 14115 1 19 . 1 1 103 103 ASN N N 103 118.601 118.601 118.856 -0.255 18480 14116 1 19 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.627 -0.161 18480 14117 1 19 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.626 1.014 18480 14118 1 19 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.414 -0.107 18480 14119 1 19 . 1 1 103 103 ASN H H 103 8.298 8.298 8.050 0.248 18480 14120 1 19 . 1 1 104 104 ALA N N 104 122.821 122.821 123.463 -0.642 18480 14121 1 19 . 1 1 104 104 ALA HA H 104 4.239 4.239 4.030 0.209 18480 14122 1 19 . 1 1 104 104 ALA C C 104 181.701 181.701 179.716 1.985 18480 14123 1 19 . 1 1 104 104 ALA CA C 104 55.272 55.272 55.069 0.203 18480 14124 1 19 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.221 -0.047 18480 14125 1 19 . 1 1 104 104 ALA H H 104 7.969 7.969 7.718 0.251 18480 14126 1 19 . 1 1 105 105 PHE N N 105 119.585 119.585 118.112 1.473 18480 14127 1 19 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.411 -0.203 18480 14128 1 19 . 1 1 105 105 PHE C C 105 179.224 179.224 178.321 0.903 18480 14129 1 19 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.572 2.550 18480 14130 1 19 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.821 0.746 18480 14131 1 19 . 1 1 105 105 PHE H H 105 8.647 8.647 8.015 0.632 18480 14132 1 19 . 1 1 106 106 LEU N N 106 121.925 121.925 118.078 3.847 18480 14133 1 19 . 1 1 106 106 LEU HA H 106 3.699 3.699 3.969 -0.270 18480 14134 1 19 . 1 1 106 106 LEU C C 106 179.074 179.074 179.368 -0.294 18480 14135 1 19 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.791 1.264 18480 14136 1 19 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.178 0.284 18480 14137 1 19 . 1 1 106 106 LEU H H 106 8.450 8.450 7.660 0.790 18480 14138 1 19 . 1 1 107 107 GLN N N 107 115.214 115.214 117.736 -2.522 18480 14139 1 19 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.277 -0.175 18480 14140 1 19 . 1 1 107 107 GLN C C 107 176.822 176.822 177.799 -0.977 18480 14141 1 19 . 1 1 107 107 GLN CA C 107 57.586 57.586 58.198 -0.612 18480 14142 1 19 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.543 0.736 18480 14143 1 19 . 1 1 107 107 GLN H H 107 8.444 8.444 8.025 0.419 18480 14144 1 19 . 1 1 108 108 THR N N 108 109.014 109.014 113.421 -4.407 18480 14145 1 19 . 1 1 108 108 THR HA H 108 4.369 4.369 4.226 0.143 18480 14146 1 19 . 1 1 108 108 THR C C 108 175.952 175.952 176.392 -0.440 18480 14147 1 19 . 1 1 108 108 THR CA C 108 63.658 63.658 64.567 -0.909 18480 14148 1 19 . 1 1 108 108 THR CB C 108 70.179 70.179 68.652 1.527 18480 14149 1 19 . 1 1 108 108 THR H H 108 7.631 7.631 8.008 -0.377 18480 14150 1 19 . 1 1 109 109 THR N N 109 110.844 110.844 112.772 -1.928 18480 14151 1 19 . 1 1 109 109 THR HA H 109 4.477 4.477 4.189 0.288 18480 14152 1 19 . 1 1 109 109 THR C C 109 176.162 176.162 176.182 -0.020 18480 14153 1 19 . 1 1 109 109 THR CA C 109 61.728 61.728 63.197 -1.469 18480 14154 1 19 . 1 1 109 109 THR CB C 109 70.659 70.659 70.323 0.336 18480 14155 1 19 . 1 1 109 109 THR H H 109 8.623 8.623 7.777 0.846 18480 14156 1 19 . 1 1 110 110 GLY N N 110 109.549 109.549 110.920 -1.371 18480 14157 1 19 . 1 1 110 110 GLY C C 110 172.889 172.889 173.276 -0.387 18480 14158 1 19 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.849 0.695 18480 14159 1 19 . 1 1 110 110 GLY H H 110 8.113 8.113 8.405 -0.292 18480 14160 1 19 . 1 1 111 111 VAL N N 111 118.903 118.903 118.934 -0.031 18480 14161 1 19 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.451 -0.195 18480 14162 1 19 . 1 1 111 111 VAL C C 111 174.421 174.421 173.638 0.783 18480 14163 1 19 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.463 0.298 18480 14164 1 19 . 1 1 111 111 VAL CB C 111 35.510 35.510 34.630 0.880 18480 14165 1 19 . 1 1 111 111 VAL H H 111 7.724 7.724 7.564 0.160 18480 14166 1 19 . 1 1 112 112 VAL N N 112 124.398 124.398 123.282 1.116 18480 14167 1 19 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.239 -1.006 18480 14168 1 19 . 1 1 112 112 VAL C C 112 174.646 174.646 174.027 0.619 18480 14169 1 19 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.136 3.599 18480 14170 1 19 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.825 -1.019 18480 14171 1 19 . 1 1 112 112 VAL H H 112 8.627 8.627 8.385 0.242 18480 14172 1 19 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.733 -0.164 18480 14173 1 19 . 1 1 113 113 ASN CA C 113 51.207 51.207 52.851 -1.644 18480 14174 1 19 . 1 1 113 113 ASN CB C 113 38.381 38.381 39.038 -0.657 18480 14175 1 19 . 1 1 114 114 GLN N N 114 125.364 125.364 126.132 -0.768 18480 14176 1 19 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.090 -0.150 18480 14177 1 19 . 1 1 114 114 GLN C C 114 174.811 174.811 175.177 -0.366 18480 14178 1 19 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.954 -1.318 18480 14179 1 19 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.399 -1.307 18480 14180 1 19 . 1 1 114 114 GLN H H 114 8.731 8.731 8.859 -0.128 18480 14181 1 19 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.217 0.051 18480 14182 1 19 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.748 0.913 18480 14183 1 19 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.321 -0.124 18480 14184 1 19 . 1 1 116 116 PHE N N 116 118.102 118.102 118.468 -0.366 18480 14185 1 19 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.286 -0.025 18480 14186 1 19 . 1 1 116 116 PHE C C 116 176.597 176.597 176.904 -0.307 18480 14187 1 19 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.478 -0.188 18480 14188 1 19 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.582 -0.002 18480 14189 1 19 . 1 1 116 116 PHE H H 116 7.712 7.712 7.615 0.097 18480 14190 1 19 . 1 1 117 117 ILE N N 117 118.950 118.950 118.950 0.000 18480 14191 1 19 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.753 -0.099 18480 14192 1 19 . 1 1 117 117 ILE C C 117 178.789 178.789 178.113 0.676 18480 14193 1 19 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.561 1.079 18480 14194 1 19 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.598 -0.084 18480 14195 1 19 . 1 1 117 117 ILE H H 117 7.747 7.747 7.598 0.149 18480 14196 1 19 . 1 1 118 118 ASN N N 118 119.204 119.204 118.779 0.425 18480 14197 1 19 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.440 -0.073 18480 14198 1 19 . 1 1 118 118 ASN C C 118 177.033 177.033 177.996 -0.963 18480 14199 1 19 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.150 -0.369 18480 14200 1 19 . 1 1 118 118 ASN CB C 118 37.485 37.485 37.666 -0.181 18480 14201 1 19 . 1 1 118 118 ASN H H 118 8.847 8.847 7.929 0.918 18480 14202 1 19 . 1 1 119 119 GLU N N 119 120.684 120.684 119.902 0.782 18480 14203 1 19 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.013 -0.048 18480 14204 1 19 . 1 1 119 119 GLU C C 119 178.564 178.564 178.479 0.085 18480 14205 1 19 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.872 0.242 18480 14206 1 19 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.669 -0.151 18480 14207 1 19 . 1 1 119 119 GLU H H 119 8.081 8.081 7.645 0.436 18480 14208 1 19 . 1 1 120 120 ILE N N 120 118.037 118.037 118.895 -0.858 18480 14209 1 19 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.753 -0.181 18480 14210 1 19 . 1 1 120 120 ILE C C 120 178.279 178.279 178.309 -0.030 18480 14211 1 19 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.995 -0.897 18480 14212 1 19 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.425 -1.173 18480 14213 1 19 . 1 1 120 120 ILE H H 120 7.948 7.948 7.524 0.424 18480 14214 1 19 . 1 1 121 121 THR N N 121 113.671 113.671 113.155 0.516 18480 14215 1 19 . 1 1 121 121 THR HA H 121 3.804 3.804 4.022 -0.218 18480 14216 1 19 . 1 1 121 121 THR C C 121 177.258 177.258 176.938 0.320 18480 14217 1 19 . 1 1 121 121 THR CA C 121 66.771 66.771 66.317 0.454 18480 14218 1 19 . 1 1 121 121 THR CB C 121 68.293 68.293 68.294 -0.002 18480 14219 1 19 . 1 1 121 121 THR H H 121 8.345 8.345 7.677 0.668 18480 14220 1 19 . 1 1 122 122 GLN N N 122 121.849 121.849 121.239 0.610 18480 14221 1 19 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.032 -0.033 18480 14222 1 19 . 1 1 122 122 GLN C C 122 179.014 179.014 178.406 0.608 18480 14223 1 19 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.367 0.399 18480 14224 1 19 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.308 0.124 18480 14225 1 19 . 1 1 122 122 GLN H H 122 7.589 7.589 7.422 0.167 18480 14226 1 19 . 1 1 123 123 LEU N N 123 120.855 120.855 120.391 0.464 18480 14227 1 19 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.515 -0.097 18480 14228 1 19 . 1 1 123 123 LEU C C 123 178.354 178.354 178.661 -0.307 18480 14229 1 19 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.840 -0.024 18480 14230 1 19 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.631 -0.780 18480 14231 1 19 . 1 1 123 123 LEU H H 123 8.081 8.081 7.724 0.357 18480 14232 1 19 . 1 1 124 124 VAL N N 124 115.864 115.864 117.832 -1.968 18480 14233 1 19 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.759 -0.409 18480 14234 1 19 . 1 1 124 124 VAL C C 124 177.453 177.453 178.413 -0.960 18480 14235 1 19 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.230 1.243 18480 14236 1 19 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.458 0.148 18480 14237 1 19 . 1 1 124 124 VAL H H 124 7.574 7.574 7.626 -0.052 18480 14238 1 19 . 1 1 125 125 SER N N 125 110.334 110.334 113.051 -2.717 18480 14239 1 19 . 1 1 125 125 SER HA H 125 4.054 4.054 4.298 -0.244 18480 14240 1 19 . 1 1 125 125 SER C C 125 175.937 175.937 175.142 0.795 18480 14241 1 19 . 1 1 125 125 SER CA C 125 61.763 61.763 60.254 1.509 18480 14242 1 19 . 1 1 125 125 SER CB C 125 62.864 62.864 63.080 -0.216 18480 14243 1 19 . 1 1 125 125 SER H H 125 6.950 6.950 7.687 -0.737 18480 14244 1 19 . 1 1 126 126 MET N N 126 121.750 121.750 116.466 5.284 18480 14245 1 19 . 1 1 126 126 MET HA H 126 3.951 3.951 4.525 -0.574 18480 14246 1 19 . 1 1 126 126 MET C C 126 179.254 179.254 177.896 1.358 18480 14247 1 19 . 1 1 126 126 MET CA C 126 59.246 59.246 57.986 1.260 18480 14248 1 19 . 1 1 126 126 MET CB C 126 33.265 33.265 33.080 0.185 18480 14249 1 19 . 1 1 126 126 MET H H 126 8.113 8.113 7.268 0.845 18480 14250 1 19 . 1 1 127 127 PHE N N 127 118.909 118.909 119.534 -0.625 18480 14251 1 19 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.310 0.333 18480 14252 1 19 . 1 1 127 127 PHE C C 127 178.128 178.128 177.509 0.619 18480 14253 1 19 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.750 -2.991 18480 14254 1 19 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.321 -0.260 18480 14255 1 19 . 1 1 127 127 PHE H H 127 8.791 8.791 7.849 0.942 18480 14256 1 19 . 1 1 128 128 ALA N N 128 122.620 122.620 122.010 0.610 18480 14257 1 19 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.132 0.044 18480 14258 1 19 . 1 1 128 128 ALA C C 128 178.789 178.789 178.874 -0.085 18480 14259 1 19 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.731 -0.066 18480 14260 1 19 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.390 0.775 18480 14261 1 19 . 1 1 128 128 ALA H H 128 8.235 8.235 7.638 0.597 18480 14262 1 19 . 1 1 129 129 GLN N N 129 116.507 116.507 116.976 -0.469 18480 14263 1 19 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.242 -0.017 18480 14264 1 19 . 1 1 129 129 GLN C C 129 177.258 177.258 177.932 -0.674 18480 14265 1 19 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.554 -0.536 18480 14266 1 19 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.763 0.362 18480 14267 1 19 . 1 1 129 129 GLN H H 129 7.715 7.715 7.726 -0.011 18480 14268 1 19 . 1 1 130 130 ALA N N 130 122.020 122.020 121.288 0.732 18480 14269 1 19 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.236 -0.016 18480 14270 1 19 . 1 1 130 130 ALA C C 130 178.564 178.564 178.817 -0.253 18480 14271 1 19 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.113 0.693 18480 14272 1 19 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.217 -0.257 18480 14273 1 19 . 1 1 130 130 ALA H H 130 7.775 7.775 7.443 0.332 18480 14274 1 19 . 1 1 131 131 GLY N N 131 106.006 106.006 106.742 -0.736 18480 14275 1 19 . 1 1 131 131 GLY C C 131 173.970 173.970 175.205 -1.235 18480 14276 1 19 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.275 -0.162 18480 14277 1 19 . 1 1 131 131 GLY H H 131 8.110 8.110 8.513 -0.403 18480 14278 1 19 . 1 1 132 132 MET N N 132 118.637 118.637 116.037 2.600 18480 14279 1 19 . 1 1 132 132 MET HA H 132 4.401 4.401 4.428 -0.027 18480 14280 1 19 . 1 1 132 132 MET C C 132 175.952 175.952 176.179 -0.227 18480 14281 1 19 . 1 1 132 132 MET CA C 132 56.375 56.375 55.492 0.883 18480 14282 1 19 . 1 1 132 132 MET CB C 132 32.939 32.939 30.803 2.136 18480 14283 1 19 . 1 1 132 132 MET H H 132 7.945 7.945 8.339 -0.394 18480 14284 1 19 . 1 1 133 133 ASN N N 133 117.955 117.955 115.289 2.666 18480 14285 1 19 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.639 0.132 18480 14286 1 19 . 1 1 133 133 ASN C C 133 174.646 174.646 175.207 -0.561 18480 14287 1 19 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.077 -0.589 18480 14288 1 19 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.617 0.759 18480 14289 1 19 . 1 1 133 133 ASN H H 133 8.283 8.283 7.950 0.333 18480 14290 1 19 . 1 1 134 134 ASP N N 134 120.891 120.891 121.608 -0.717 18480 14291 1 19 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.614 0.005 18480 14292 1 19 . 1 1 134 134 ASP C C 134 176.162 176.162 176.591 -0.429 18480 14293 1 19 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.312 -0.911 18480 14294 1 19 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.572 -1.399 18480 14295 1 19 . 1 1 134 134 ASP H H 134 8.192 8.192 7.555 0.637 18480 14296 1 19 . 1 1 135 135 VAL N N 135 119.737 119.737 117.482 2.255 18480 14297 1 19 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.602 0.578 18480 14298 1 19 . 1 1 135 135 VAL C C 135 176.162 176.162 175.462 0.700 18480 14299 1 19 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.715 -1.569 18480 14300 1 19 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.248 3.482 18480 14301 1 19 . 1 1 135 135 VAL H H 135 8.056 8.056 8.414 -0.358 18480 14302 1 19 . 1 1 136 136 SER N N 136 119.689 119.689 112.478 7.211 18480 14303 1 19 . 1 1 136 136 SER HA H 136 4.427 4.427 4.059 0.368 18480 14304 1 19 . 1 1 136 136 SER C C 136 173.325 173.325 174.550 -1.225 18480 14305 1 19 . 1 1 136 136 SER CA C 136 58.351 58.351 59.551 -1.200 18480 14306 1 19 . 1 1 136 136 SER CB C 136 64.031 64.031 62.422 1.609 18480 14307 1 19 . 1 1 136 136 SER H H 136 8.355 8.355 8.527 -0.172 18480 14308 1 20 . 1 1 3 3 GLY N N 3 110.996 110.996 111.265 -0.269 18480 14309 1 20 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.945 0.531 18480 14310 1 20 . 1 1 3 3 GLY H H 3 8.591 8.591 8.194 0.397 18480 14311 1 20 . 1 1 4 4 ASN N N 4 118.637 118.637 119.343 -0.706 18480 14312 1 20 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.507 0.221 18480 14313 1 20 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.327 -0.157 18480 14314 1 20 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.035 1.029 18480 14315 1 20 . 1 1 4 4 ASN H H 4 8.318 8.318 8.570 -0.252 18480 14316 1 20 . 1 1 5 5 SER N N 5 116.285 116.285 115.976 0.309 18480 14317 1 20 . 1 1 5 5 SER HA H 5 4.352 4.352 4.282 0.070 18480 14318 1 20 . 1 1 5 5 SER CA C 5 58.593 58.593 59.122 -0.529 18480 14319 1 20 . 1 1 5 5 SER CB C 5 63.633 63.633 63.079 0.554 18480 14320 1 20 . 1 1 5 5 SER H H 5 8.280 8.280 8.523 -0.243 18480 14321 1 20 . 1 1 6 6 HIS N N 6 119.777 119.777 125.589 -5.812 18480 14322 1 20 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.895 -0.157 18480 14323 1 20 . 1 1 6 6 HIS CA C 6 55.344 55.344 53.934 1.411 18480 14324 1 20 . 1 1 6 6 HIS CB C 6 29.328 29.328 29.894 -0.566 18480 14325 1 20 . 1 1 6 6 HIS H H 6 8.460 8.460 8.029 0.431 18480 14326 1 20 . 1 1 7 7 THR N N 7 115.111 115.111 115.648 -0.537 18480 14327 1 20 . 1 1 7 7 THR HA H 7 4.217 4.217 4.045 0.172 18480 14328 1 20 . 1 1 7 7 THR C C 7 173.970 173.970 174.002 -0.032 18480 14329 1 20 . 1 1 7 7 THR CA C 7 62.118 62.118 62.991 -0.873 18480 14330 1 20 . 1 1 7 7 THR CB C 7 69.871 69.871 69.017 0.854 18480 14331 1 20 . 1 1 7 7 THR H H 7 8.202 8.202 8.415 -0.213 18480 14332 1 20 . 1 1 8 8 THR N N 8 113.695 113.695 116.767 -3.072 18480 14333 1 20 . 1 1 8 8 THR HA H 8 4.439 4.439 4.335 0.104 18480 14334 1 20 . 1 1 8 8 THR C C 8 172.664 172.664 172.171 0.493 18480 14335 1 20 . 1 1 8 8 THR CA C 8 58.847 58.847 59.663 -0.815 18480 14336 1 20 . 1 1 8 8 THR CB C 8 62.183 62.183 68.626 -6.443 18480 14337 1 20 . 1 1 8 8 THR H H 8 8.113 8.113 7.637 0.476 18480 14338 1 20 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.304 -0.339 18480 14339 1 20 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.412 -0.976 18480 14340 1 20 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.305 -0.134 18480 14341 1 20 . 1 1 10 10 TRP N N 10 108.872 108.872 111.285 -2.413 18480 14342 1 20 . 1 1 10 10 TRP HA H 10 4.589 4.589 5.054 -0.465 18480 14343 1 20 . 1 1 10 10 TRP C C 10 175.817 175.817 175.313 0.504 18480 14344 1 20 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.526 0.646 18480 14345 1 20 . 1 1 10 10 TRP CB C 10 26.975 26.975 27.630 -0.655 18480 14346 1 20 . 1 1 10 10 TRP H H 10 6.511 6.511 6.819 -0.308 18480 14347 1 20 . 1 1 11 11 THR N N 11 113.736 113.736 115.625 -1.889 18480 14348 1 20 . 1 1 11 11 THR HA H 11 3.899 3.899 4.195 -0.296 18480 14349 1 20 . 1 1 11 11 THR C C 11 173.970 173.970 174.122 -0.152 18480 14350 1 20 . 1 1 11 11 THR CA C 11 65.731 65.731 64.071 1.660 18480 14351 1 20 . 1 1 11 11 THR CB C 11 69.609 69.609 69.053 0.556 18480 14352 1 20 . 1 1 11 11 THR H H 11 7.310 7.310 7.558 -0.248 18480 14353 1 20 . 1 1 12 12 ASN N N 12 112.814 112.814 114.789 -1.975 18480 14354 1 20 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.111 -0.439 18480 14355 1 20 . 1 1 12 12 ASN C C 12 172.889 172.889 173.017 -0.128 18480 14356 1 20 . 1 1 12 12 ASN CA C 12 52.128 52.128 50.503 1.625 18480 14357 1 20 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.931 -0.232 18480 14358 1 20 . 1 1 12 12 ASN H H 12 7.234 7.234 7.509 -0.275 18480 14359 1 20 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.276 -0.194 18480 14360 1 20 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.349 0.293 18480 14361 1 20 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.972 0.081 18480 14362 1 20 . 1 1 14 14 GLY N N 14 107.424 107.424 107.014 0.410 18480 14363 1 20 . 1 1 14 14 GLY C C 14 175.952 175.952 176.149 -0.197 18480 14364 1 20 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.882 0.308 18480 14365 1 20 . 1 1 14 14 GLY H H 14 8.288 8.288 7.741 0.547 18480 14366 1 20 . 1 1 15 15 LEU N N 15 122.906 122.906 122.408 0.498 18480 14367 1 20 . 1 1 15 15 LEU HA H 15 4.030 4.030 3.967 0.063 18480 14368 1 20 . 1 1 15 15 LEU C C 15 178.564 178.564 179.082 -0.518 18480 14369 1 20 . 1 1 15 15 LEU CA C 15 57.876 57.876 57.075 0.801 18480 14370 1 20 . 1 1 15 15 LEU CB C 15 42.316 42.316 41.719 0.597 18480 14371 1 20 . 1 1 15 15 LEU H H 15 7.956 7.956 8.713 -0.757 18480 14372 1 20 . 1 1 16 16 ALA N N 16 122.949 122.949 121.976 0.973 18480 14373 1 20 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.054 0.051 18480 14374 1 20 . 1 1 16 16 ALA C C 16 179.104 179.104 179.413 -0.309 18480 14375 1 20 . 1 1 16 16 ALA CA C 16 55.980 55.980 54.977 1.003 18480 14376 1 20 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.668 0.467 18480 14377 1 20 . 1 1 16 16 ALA H H 16 7.598 7.598 7.792 -0.194 18480 14378 1 20 . 1 1 17 17 GLU N N 17 116.632 116.632 116.134 0.498 18480 14379 1 20 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.154 -0.334 18480 14380 1 20 . 1 1 17 17 GLU C C 17 177.993 177.993 178.756 -0.763 18480 14381 1 20 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.158 0.891 18480 14382 1 20 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.587 -0.866 18480 14383 1 20 . 1 1 17 17 GLU H H 17 8.097 8.097 8.065 0.032 18480 14384 1 20 . 1 1 18 18 ASN N N 18 117.645 117.645 118.919 -1.274 18480 14385 1 20 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.534 -0.107 18480 14386 1 20 . 1 1 18 18 ASN C C 18 178.347 178.347 177.287 1.060 18480 14387 1 20 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.277 0.817 18480 14388 1 20 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.100 0.024 18480 14389 1 20 . 1 1 18 18 ASN H H 18 8.196 8.196 7.976 0.220 18480 14390 1 20 . 1 1 19 19 PHE N N 19 123.188 123.188 122.428 0.760 18480 14391 1 20 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.046 -0.095 18480 14392 1 20 . 1 1 19 19 PHE C C 19 176.837 176.837 177.312 -0.475 18480 14393 1 20 . 1 1 19 19 PHE CA C 19 61.897 61.897 62.174 -0.277 18480 14394 1 20 . 1 1 19 19 PHE CB C 19 39.729 39.729 39.157 0.572 18480 14395 1 20 . 1 1 19 19 PHE H H 19 8.868 8.868 7.820 1.048 18480 14396 1 20 . 1 1 20 20 MET N N 20 118.140 118.140 114.751 3.389 18480 14397 1 20 . 1 1 20 20 MET HA H 20 3.303 3.303 3.884 -0.581 18480 14398 1 20 . 1 1 20 20 MET C C 20 178.924 178.924 177.666 1.258 18480 14399 1 20 . 1 1 20 20 MET CA C 20 60.043 60.043 57.240 2.803 18480 14400 1 20 . 1 1 20 20 MET CB C 20 33.527 33.527 30.633 2.894 18480 14401 1 20 . 1 1 20 20 MET H H 20 7.644 7.644 7.882 -0.238 18480 14402 1 20 . 1 1 21 21 ASN N N 21 116.213 116.213 120.292 -4.079 18480 14403 1 20 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.465 -0.012 18480 14404 1 20 . 1 1 21 21 ASN C C 21 178.249 178.249 177.895 0.354 18480 14405 1 20 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.797 -0.848 18480 14406 1 20 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.608 -0.511 18480 14407 1 20 . 1 1 21 21 ASN H H 21 8.169 8.169 7.720 0.449 18480 14408 1 20 . 1 1 22 22 SER N N 22 117.086 117.086 115.484 1.602 18480 14409 1 20 . 1 1 22 22 SER HA H 22 4.152 4.152 4.239 -0.087 18480 14410 1 20 . 1 1 22 22 SER C C 22 178.143 178.143 176.383 1.760 18480 14411 1 20 . 1 1 22 22 SER CA C 22 62.154 62.154 61.185 0.969 18480 14412 1 20 . 1 1 22 22 SER CB C 22 62.709 62.709 63.076 -0.367 18480 14413 1 20 . 1 1 22 22 SER H H 22 8.650 8.650 8.262 0.388 18480 14414 1 20 . 1 1 23 23 PHE N N 23 124.044 124.044 124.985 -0.941 18480 14415 1 20 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.373 -0.505 18480 14416 1 20 . 1 1 23 23 PHE C C 23 175.652 175.652 176.627 -0.975 18480 14417 1 20 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.582 1.536 18480 14418 1 20 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.526 -1.276 18480 14419 1 20 . 1 1 23 23 PHE H H 23 8.394 8.394 7.477 0.917 18480 14420 1 20 . 1 1 24 24 MET N N 24 117.794 117.794 118.097 -0.303 18480 14421 1 20 . 1 1 24 24 MET HA H 24 4.177 4.177 3.862 0.315 18480 14422 1 20 . 1 1 24 24 MET C C 24 179.797 179.797 178.501 1.296 18480 14423 1 20 . 1 1 24 24 MET CA C 24 56.498 56.498 57.289 -0.791 18480 14424 1 20 . 1 1 24 24 MET CB C 24 31.903 31.903 31.290 0.613 18480 14425 1 20 . 1 1 24 24 MET H H 24 7.781 7.781 8.548 -0.767 18480 14426 1 20 . 1 1 25 25 GLN N N 25 119.477 119.477 118.424 1.053 18480 14427 1 20 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.053 -0.089 18480 14428 1 20 . 1 1 25 25 GLN C C 25 179.870 179.870 177.897 1.973 18480 14429 1 20 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.472 0.276 18480 14430 1 20 . 1 1 25 25 GLN CB C 25 28.384 28.384 27.877 0.507 18480 14431 1 20 . 1 1 25 25 GLN H H 25 8.233 8.233 7.918 0.315 18480 14432 1 20 . 1 1 26 26 GLY N N 26 107.052 107.052 107.330 -0.278 18480 14433 1 20 . 1 1 26 26 GLY C C 26 176.387 176.387 175.792 0.595 18480 14434 1 20 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.148 1.525 18480 14435 1 20 . 1 1 26 26 GLY H H 26 7.936 7.936 7.583 0.353 18480 14436 1 20 . 1 1 27 27 LEU N N 27 122.471 122.471 123.233 -0.762 18480 14437 1 20 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.869 -0.151 18480 14438 1 20 . 1 1 27 27 LEU C C 27 178.564 178.564 178.485 0.079 18480 14439 1 20 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.445 0.748 18480 14440 1 20 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.323 0.370 18480 14441 1 20 . 1 1 27 27 LEU H H 27 8.157 8.157 8.209 -0.052 18480 14442 1 20 . 1 1 28 28 SER N N 28 109.215 109.215 113.219 -4.004 18480 14443 1 20 . 1 1 28 28 SER HA H 28 4.064 4.064 4.259 -0.195 18480 14444 1 20 . 1 1 28 28 SER C C 28 174.421 174.421 175.377 -0.956 18480 14445 1 20 . 1 1 28 28 SER CA C 28 61.444 61.444 60.143 1.301 18480 14446 1 20 . 1 1 28 28 SER CB C 28 63.210 63.210 62.642 0.568 18480 14447 1 20 . 1 1 28 28 SER H H 28 7.469 7.469 8.005 -0.536 18480 14448 1 20 . 1 1 29 29 SER N N 29 114.308 114.308 115.071 -0.763 18480 14449 1 20 . 1 1 29 29 SER HA H 29 4.667 4.667 4.498 0.169 18480 14450 1 20 . 1 1 29 29 SER C C 29 173.970 173.970 174.135 -0.165 18480 14451 1 20 . 1 1 29 29 SER CA C 29 57.914 57.914 57.919 -0.005 18480 14452 1 20 . 1 1 29 29 SER CB C 29 64.359 64.359 64.051 0.308 18480 14453 1 20 . 1 1 29 29 SER H H 29 7.383 7.383 7.638 -0.255 18480 14454 1 20 . 1 1 30 30 MET N N 30 122.604 122.604 123.104 -0.500 18480 14455 1 20 . 1 1 30 30 MET HA H 30 4.882 4.882 4.861 0.021 18480 14456 1 20 . 1 1 30 30 MET C C 30 174.195 174.195 175.753 -1.558 18480 14457 1 20 . 1 1 30 30 MET CA C 30 53.753 53.753 52.533 1.220 18480 14458 1 20 . 1 1 30 30 MET CB C 30 32.013 32.013 31.483 0.530 18480 14459 1 20 . 1 1 30 30 MET H H 30 7.804 7.804 7.555 0.249 18480 14460 1 20 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.498 0.168 18480 14461 1 20 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.185 -0.488 18480 14462 1 20 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.164 0.789 18480 14463 1 20 . 1 1 32 32 GLY N N 32 104.648 104.648 106.713 -2.065 18480 14464 1 20 . 1 1 32 32 GLY C C 32 172.454 172.454 174.103 -1.649 18480 14465 1 20 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.338 0.083 18480 14466 1 20 . 1 1 32 32 GLY H H 32 8.363 8.363 7.940 0.423 18480 14467 1 20 . 1 1 33 33 PHE N N 33 116.917 116.917 120.032 -3.115 18480 14468 1 20 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.774 0.513 18480 14469 1 20 . 1 1 33 33 PHE C C 33 176.387 176.387 173.989 2.398 18480 14470 1 20 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.052 -0.150 18480 14471 1 20 . 1 1 33 33 PHE CB C 33 42.290 42.290 42.217 0.073 18480 14472 1 20 . 1 1 33 33 PHE H H 33 8.118 8.118 7.459 0.659 18480 14473 1 20 . 1 1 34 34 THR N N 34 113.457 113.457 112.517 0.940 18480 14474 1 20 . 1 1 34 34 THR HA H 34 4.494 4.494 4.644 -0.150 18480 14475 1 20 . 1 1 34 34 THR C C 34 175.066 175.066 174.951 0.115 18480 14476 1 20 . 1 1 34 34 THR CA C 34 59.946 59.946 59.580 0.366 18480 14477 1 20 . 1 1 34 34 THR CB C 34 70.967 70.967 71.402 -0.435 18480 14478 1 20 . 1 1 34 34 THR H H 34 8.727 8.727 7.923 0.803 18480 14479 1 20 . 1 1 35 35 ALA N N 35 122.737 122.737 123.552 -0.815 18480 14480 1 20 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.168 -0.083 18480 14481 1 20 . 1 1 35 35 ALA C C 35 180.755 180.755 179.627 1.128 18480 14482 1 20 . 1 1 35 35 ALA CA C 35 55.523 55.523 55.059 0.464 18480 14483 1 20 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.415 -0.345 18480 14484 1 20 . 1 1 35 35 ALA H H 35 8.913 8.913 8.605 0.308 18480 14485 1 20 . 1 1 36 36 SER N N 36 113.331 113.331 112.884 0.447 18480 14486 1 20 . 1 1 36 36 SER HA H 36 4.244 4.244 4.087 0.157 18480 14487 1 20 . 1 1 36 36 SER C C 36 177.033 177.033 176.728 0.305 18480 14488 1 20 . 1 1 36 36 SER CA C 36 61.453 61.453 61.300 0.153 18480 14489 1 20 . 1 1 36 36 SER CB C 36 62.529 62.529 62.534 -0.005 18480 14490 1 20 . 1 1 36 36 SER H H 36 8.347 8.347 8.532 -0.185 18480 14491 1 20 . 1 1 37 37 GLN N N 37 122.548 122.548 121.281 1.267 18480 14492 1 20 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.127 -0.068 18480 14493 1 20 . 1 1 37 37 GLN C C 37 179.149 179.149 178.615 0.534 18480 14494 1 20 . 1 1 37 37 GLN CA C 37 58.967 58.967 58.762 0.205 18480 14495 1 20 . 1 1 37 37 GLN CB C 37 28.021 28.021 29.028 -1.007 18480 14496 1 20 . 1 1 37 37 GLN H H 37 7.500 7.500 7.563 -0.063 18480 14497 1 20 . 1 1 38 38 LEU N N 38 117.948 117.948 120.378 -2.430 18480 14498 1 20 . 1 1 38 38 LEU HA H 38 3.892 3.892 3.981 -0.089 18480 14499 1 20 . 1 1 38 38 LEU C C 38 179.675 179.675 179.407 0.268 18480 14500 1 20 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.990 -0.032 18480 14501 1 20 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.684 -0.191 18480 14502 1 20 . 1 1 38 38 LEU H H 38 8.217 8.217 8.505 -0.288 18480 14503 1 20 . 1 1 39 39 ASP N N 39 120.923 120.923 120.353 0.570 18480 14504 1 20 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.387 0.024 18480 14505 1 20 . 1 1 39 39 ASP C C 39 179.224 179.224 178.350 0.874 18480 14506 1 20 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.635 -0.029 18480 14507 1 20 . 1 1 39 39 ASP CB C 39 41.828 41.828 40.843 0.985 18480 14508 1 20 . 1 1 39 39 ASP H H 39 8.192 8.192 8.531 -0.339 18480 14509 1 20 . 1 1 40 40 ASP N N 40 123.608 123.608 119.593 4.015 18480 14510 1 20 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.473 -0.256 18480 14511 1 20 . 1 1 40 40 ASP C C 40 179.600 179.600 178.660 0.940 18480 14512 1 20 . 1 1 40 40 ASP CA C 40 58.640 58.640 57.426 1.214 18480 14513 1 20 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.060 -1.748 18480 14514 1 20 . 1 1 40 40 ASP H H 40 8.366 8.366 7.638 0.728 18480 14515 1 20 . 1 1 41 41 MET N N 41 118.772 118.772 116.750 2.022 18480 14516 1 20 . 1 1 41 41 MET HA H 41 3.638 3.638 4.507 -0.869 18480 14517 1 20 . 1 1 41 41 MET C C 41 177.693 177.693 178.308 -0.615 18480 14518 1 20 . 1 1 41 41 MET CA C 41 60.513 60.513 58.991 1.522 18480 14519 1 20 . 1 1 41 41 MET CB C 41 34.320 34.320 32.882 1.438 18480 14520 1 20 . 1 1 41 41 MET H H 41 8.423 8.423 8.131 0.292 18480 14521 1 20 . 1 1 42 42 SER N N 42 115.040 115.040 116.873 -1.833 18480 14522 1 20 . 1 1 42 42 SER HA H 42 4.168 4.168 4.377 -0.209 18480 14523 1 20 . 1 1 42 42 SER C C 42 177.483 177.483 176.798 0.685 18480 14524 1 20 . 1 1 42 42 SER CA C 42 61.923 61.923 62.056 -0.133 18480 14525 1 20 . 1 1 42 42 SER CB C 42 63.084 63.084 62.707 0.377 18480 14526 1 20 . 1 1 42 42 SER H H 42 8.901 8.901 8.760 0.141 18480 14527 1 20 . 1 1 43 43 THR N N 43 118.747 118.747 119.519 -0.772 18480 14528 1 20 . 1 1 43 43 THR HA H 43 3.914 3.914 4.107 -0.193 18480 14529 1 20 . 1 1 43 43 THR C C 43 177.258 177.258 176.605 0.653 18480 14530 1 20 . 1 1 43 43 THR CA C 43 67.017 67.017 67.267 -0.251 18480 14531 1 20 . 1 1 43 43 THR CB C 43 69.500 69.500 68.513 0.987 18480 14532 1 20 . 1 1 43 43 THR H H 43 8.479 8.479 7.831 0.648 18480 14533 1 20 . 1 1 44 44 ILE N N 44 121.898 121.898 120.931 0.967 18480 14534 1 20 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.779 -0.076 18480 14535 1 20 . 1 1 44 44 ILE C C 44 178.564 178.564 177.505 1.059 18480 14536 1 20 . 1 1 44 44 ILE CA C 44 64.064 64.064 65.113 -1.049 18480 14537 1 20 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.449 -1.240 18480 14538 1 20 . 1 1 44 44 ILE H H 44 7.807 7.807 7.706 0.101 18480 14539 1 20 . 1 1 45 45 ALA N N 45 124.002 124.002 123.194 0.808 18480 14540 1 20 . 1 1 45 45 ALA HA H 45 4.042 4.042 3.870 0.172 18480 14541 1 20 . 1 1 45 45 ALA C C 45 179.404 179.404 179.294 0.110 18480 14542 1 20 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.675 0.866 18480 14543 1 20 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.383 0.075 18480 14544 1 20 . 1 1 45 45 ALA H H 45 9.145 9.145 8.342 0.803 18480 14545 1 20 . 1 1 46 46 GLN N N 46 115.753 115.753 116.539 -0.786 18480 14546 1 20 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.088 -0.065 18480 14547 1 20 . 1 1 46 46 GLN C C 46 179.014 179.014 178.590 0.424 18480 14548 1 20 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.340 0.613 18480 14549 1 20 . 1 1 46 46 GLN CB C 46 28.400 28.400 27.942 0.459 18480 14550 1 20 . 1 1 46 46 GLN H H 46 8.459 8.459 8.226 0.233 18480 14551 1 20 . 1 1 47 47 SER N N 47 116.041 116.041 117.564 -1.523 18480 14552 1 20 . 1 1 47 47 SER HA H 47 4.258 4.258 4.240 0.018 18480 14553 1 20 . 1 1 47 47 SER C C 47 177.483 177.483 176.551 0.932 18480 14554 1 20 . 1 1 47 47 SER CA C 47 62.328 62.328 61.440 0.888 18480 14555 1 20 . 1 1 47 47 SER CB C 47 63.154 63.154 63.184 -0.029 18480 14556 1 20 . 1 1 47 47 SER H H 47 7.961 7.961 7.664 0.297 18480 14557 1 20 . 1 1 48 48 MET N N 48 122.349 122.349 120.714 1.635 18480 14558 1 20 . 1 1 48 48 MET HA H 48 4.376 4.376 4.314 0.062 18480 14559 1 20 . 1 1 48 48 MET C C 48 177.798 177.798 178.483 -0.685 18480 14560 1 20 . 1 1 48 48 MET CA C 48 58.198 58.198 57.736 0.462 18480 14561 1 20 . 1 1 48 48 MET CB C 48 32.102 32.102 31.936 0.166 18480 14562 1 20 . 1 1 48 48 MET H H 48 8.508 8.508 8.578 -0.070 18480 14563 1 20 . 1 1 49 49 VAL N N 49 122.061 122.061 115.874 6.187 18480 14564 1 20 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.727 -0.285 18480 14565 1 20 . 1 1 49 49 VAL C C 49 177.910 177.910 177.866 0.044 18480 14566 1 20 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.522 1.401 18480 14567 1 20 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.040 1.719 18480 14568 1 20 . 1 1 49 49 VAL H H 49 8.541 8.541 7.969 0.572 18480 14569 1 20 . 1 1 50 50 GLN N N 50 118.465 118.465 119.375 -0.910 18480 14570 1 20 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.094 -0.037 18480 14571 1 20 . 1 1 50 50 GLN C C 50 179.449 179.449 178.433 1.016 18480 14572 1 20 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.736 0.289 18480 14573 1 20 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.304 -0.297 18480 14574 1 20 . 1 1 50 50 GLN H H 50 8.165 8.165 7.735 0.430 18480 14575 1 20 . 1 1 51 51 SER N N 51 117.659 117.659 117.076 0.583 18480 14576 1 20 . 1 1 51 51 SER HA H 51 3.854 3.854 4.181 -0.327 18480 14577 1 20 . 1 1 51 51 SER C C 51 176.374 176.374 176.703 -0.329 18480 14578 1 20 . 1 1 51 51 SER CA C 51 62.642 62.642 61.789 0.853 18480 14579 1 20 . 1 1 51 51 SER CB C 51 63.039 63.039 62.978 0.061 18480 14580 1 20 . 1 1 51 51 SER H H 51 8.199 8.199 8.040 0.159 18480 14581 1 20 . 1 1 52 52 ILE N N 52 122.930 122.930 122.011 0.919 18480 14582 1 20 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.608 -0.228 18480 14583 1 20 . 1 1 52 52 ILE C C 52 178.684 178.684 177.561 1.123 18480 14584 1 20 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.415 0.900 18480 14585 1 20 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.905 -0.357 18480 14586 1 20 . 1 1 52 52 ILE H H 52 8.068 8.068 8.122 -0.054 18480 14587 1 20 . 1 1 53 53 GLN N N 53 118.774 118.774 118.239 0.535 18480 14588 1 20 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.976 -0.063 18480 14589 1 20 . 1 1 53 53 GLN C C 53 179.014 179.014 178.314 0.700 18480 14590 1 20 . 1 1 53 53 GLN CA C 53 59.168 59.168 58.963 0.205 18480 14591 1 20 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.157 -0.140 18480 14592 1 20 . 1 1 53 53 GLN H H 53 8.459 8.459 8.161 0.298 18480 14593 1 20 . 1 1 54 54 SER N N 54 115.452 115.452 117.972 -2.520 18480 14594 1 20 . 1 1 54 54 SER HA H 54 4.294 4.294 4.208 0.086 18480 14595 1 20 . 1 1 54 54 SER C C 54 176.822 176.822 176.523 0.299 18480 14596 1 20 . 1 1 54 54 SER CA C 54 61.276 61.276 62.300 -1.024 18480 14597 1 20 . 1 1 54 54 SER CB C 54 62.873 62.873 62.879 -0.006 18480 14598 1 20 . 1 1 54 54 SER H H 54 8.330 8.330 7.685 0.645 18480 14599 1 20 . 1 1 55 55 LEU N N 55 121.066 121.066 121.709 -0.643 18480 14600 1 20 . 1 1 55 55 LEU HA H 55 3.981 3.981 3.947 0.034 18480 14601 1 20 . 1 1 55 55 LEU C C 55 179.434 179.434 178.475 0.959 18480 14602 1 20 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.978 -0.002 18480 14603 1 20 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.455 1.151 18480 14604 1 20 . 1 1 55 55 LEU H H 55 8.211 8.211 7.927 0.284 18480 14605 1 20 . 1 1 56 56 ALA N N 56 122.497 122.497 121.412 1.085 18480 14606 1 20 . 1 1 56 56 ALA HA H 56 4.149 4.149 3.989 0.160 18480 14607 1 20 . 1 1 56 56 ALA C C 56 180.530 180.530 179.408 1.122 18480 14608 1 20 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.770 0.299 18480 14609 1 20 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.154 -0.192 18480 14610 1 20 . 1 1 56 56 ALA H H 56 8.902 8.902 7.920 0.982 18480 14611 1 20 . 1 1 57 57 ALA N N 57 122.922 122.922 120.330 2.592 18480 14612 1 20 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.086 0.071 18480 14613 1 20 . 1 1 57 57 ALA C C 57 179.344 179.344 179.675 -0.331 18480 14614 1 20 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.315 0.683 18480 14615 1 20 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.554 -0.525 18480 14616 1 20 . 1 1 57 57 ALA H H 57 8.140 8.140 7.751 0.389 18480 14617 1 20 . 1 1 58 58 GLN N N 58 113.359 113.359 116.717 -3.358 18480 14618 1 20 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.292 0.070 18480 14619 1 20 . 1 1 58 58 GLN C C 58 176.612 176.612 176.184 0.428 18480 14620 1 20 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.769 -0.171 18480 14621 1 20 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.126 1.949 18480 14622 1 20 . 1 1 58 58 GLN H H 58 7.415 7.415 8.128 -0.713 18480 14623 1 20 . 1 1 59 59 GLY N N 59 109.012 109.012 107.215 1.797 18480 14624 1 20 . 1 1 59 59 GLY C C 59 174.856 174.856 174.740 0.116 18480 14625 1 20 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.403 1.358 18480 14626 1 20 . 1 1 59 59 GLY H H 59 7.979 7.979 7.465 0.514 18480 14627 1 20 . 1 1 60 60 ARG N N 60 115.906 115.906 119.035 -3.129 18480 14628 1 20 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.429 0.172 18480 14629 1 20 . 1 1 60 60 ARG C C 60 175.847 175.847 174.990 0.857 18480 14630 1 20 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.601 1.207 18480 14631 1 20 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.197 2.209 18480 14632 1 20 . 1 1 60 60 ARG H H 60 8.126 8.126 8.174 -0.048 18480 14633 1 20 . 1 1 61 61 THR N N 61 107.985 107.985 112.272 -4.287 18480 14634 1 20 . 1 1 61 61 THR HA H 61 4.125 4.125 4.433 -0.308 18480 14635 1 20 . 1 1 61 61 THR C C 61 173.654 173.654 173.945 -0.291 18480 14636 1 20 . 1 1 61 61 THR CA C 61 62.194 62.194 61.376 0.818 18480 14637 1 20 . 1 1 61 61 THR CB C 61 69.512 69.512 69.321 0.191 18480 14638 1 20 . 1 1 61 61 THR H H 61 7.663 7.663 7.739 -0.076 18480 14639 1 20 . 1 1 62 62 SER N N 62 113.733 113.733 120.481 -6.748 18480 14640 1 20 . 1 1 62 62 SER HA H 62 4.973 4.973 4.923 0.050 18480 14641 1 20 . 1 1 62 62 SER C C 62 173.207 173.207 173.146 0.061 18480 14642 1 20 . 1 1 62 62 SER CA C 62 56.343 56.343 55.823 0.520 18480 14643 1 20 . 1 1 62 62 SER CB C 62 63.992 63.992 64.576 -0.584 18480 14644 1 20 . 1 1 62 62 SER H H 62 7.057 7.057 8.245 -1.188 18480 14645 1 20 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.154 0.548 18480 14646 1 20 . 1 1 63 63 PRO CA C 63 66.300 66.300 66.255 0.045 18480 14647 1 20 . 1 1 63 63 PRO CB C 63 32.236 32.236 31.838 0.398 18480 14648 1 20 . 1 1 64 64 ASN N N 64 114.886 114.886 117.097 -2.211 18480 14649 1 20 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.475 -0.073 18480 14650 1 20 . 1 1 64 64 ASN CA C 64 56.251 56.251 55.985 0.266 18480 14651 1 20 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.659 0.378 18480 14652 1 20 . 1 1 64 64 ASN H H 64 8.642 8.642 8.689 -0.047 18480 14653 1 20 . 1 1 65 65 LYS N N 65 119.774 119.774 119.558 0.216 18480 14654 1 20 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.033 -0.227 18480 14655 1 20 . 1 1 65 65 LYS C C 65 178.999 178.999 177.963 1.036 18480 14656 1 20 . 1 1 65 65 LYS CA C 65 60.878 60.878 59.012 1.866 18480 14657 1 20 . 1 1 65 65 LYS CB C 65 33.237 33.237 31.966 1.271 18480 14658 1 20 . 1 1 65 65 LYS H H 65 7.882 7.882 8.290 -0.408 18480 14659 1 20 . 1 1 66 66 LEU N N 66 117.686 117.686 117.205 0.481 18480 14660 1 20 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.266 -0.244 18480 14661 1 20 . 1 1 66 66 LEU C C 66 178.928 178.928 178.765 0.163 18480 14662 1 20 . 1 1 66 66 LEU CA C 66 57.917 57.917 56.675 1.242 18480 14663 1 20 . 1 1 66 66 LEU CB C 66 41.533 41.533 42.444 -0.911 18480 14664 1 20 . 1 1 66 66 LEU H H 66 8.666 8.666 7.862 0.804 18480 14665 1 20 . 1 1 67 67 GLN N N 67 124.469 124.469 119.935 4.534 18480 14666 1 20 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.039 0.253 18480 14667 1 20 . 1 1 67 67 GLN C C 67 178.789 178.789 178.029 0.760 18480 14668 1 20 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.322 1.569 18480 14669 1 20 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.406 -0.247 18480 14670 1 20 . 1 1 67 67 GLN H H 67 8.997 8.997 8.169 0.827 18480 14671 1 20 . 1 1 68 68 ALA N N 68 121.986 121.986 121.752 0.234 18480 14672 1 20 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.057 -0.247 18480 14673 1 20 . 1 1 68 68 ALA C C 68 180.320 180.320 178.742 1.578 18480 14674 1 20 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.471 1.032 18480 14675 1 20 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.257 -0.045 18480 14676 1 20 . 1 1 68 68 ALA H H 68 7.427 7.427 8.478 -1.051 18480 14677 1 20 . 1 1 69 69 LEU N N 69 118.881 118.881 116.390 2.491 18480 14678 1 20 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.186 -0.134 18480 14679 1 20 . 1 1 69 69 LEU C C 69 178.864 178.864 177.732 1.132 18480 14680 1 20 . 1 1 69 69 LEU CA C 69 57.747 57.747 55.564 2.183 18480 14681 1 20 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.184 0.710 18480 14682 1 20 . 1 1 69 69 LEU H H 69 8.143 8.143 7.198 0.945 18480 14683 1 20 . 1 1 70 70 ASN N N 70 119.848 119.848 119.353 0.495 18480 14684 1 20 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.405 -0.014 18480 14685 1 20 . 1 1 70 70 ASN C C 70 177.483 177.483 176.742 0.741 18480 14686 1 20 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.163 1.621 18480 14687 1 20 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.242 0.230 18480 14688 1 20 . 1 1 70 70 ASN H H 70 8.456 8.456 7.884 0.572 18480 14689 1 20 . 1 1 71 71 MET N N 71 118.843 118.843 118.663 0.180 18480 14690 1 20 . 1 1 71 71 MET HA H 71 4.769 4.769 4.454 0.315 18480 14691 1 20 . 1 1 71 71 MET C C 71 178.279 178.279 178.331 -0.052 18480 14692 1 20 . 1 1 71 71 MET CA C 71 56.415 56.415 56.840 -0.425 18480 14693 1 20 . 1 1 71 71 MET CB C 71 29.788 29.788 31.611 -1.823 18480 14694 1 20 . 1 1 71 71 MET H H 71 7.757 7.757 7.507 0.250 18480 14695 1 20 . 1 1 72 72 ALA N N 72 126.265 126.265 123.189 3.076 18480 14696 1 20 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.059 0.183 18480 14697 1 20 . 1 1 72 72 ALA C C 72 179.059 179.059 179.150 -0.091 18480 14698 1 20 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.383 -0.257 18480 14699 1 20 . 1 1 72 72 ALA CB C 72 18.923 18.923 17.783 1.140 18480 14700 1 20 . 1 1 72 72 ALA H H 72 8.559 8.559 8.147 0.412 18480 14701 1 20 . 1 1 73 73 PHE N N 73 118.887 118.887 119.951 -1.064 18480 14702 1 20 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.441 -0.378 18480 14703 1 20 . 1 1 73 73 PHE C C 73 177.258 177.258 177.181 0.077 18480 14704 1 20 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.295 0.776 18480 14705 1 20 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.108 0.196 18480 14706 1 20 . 1 1 73 73 PHE H H 73 8.337 8.337 7.569 0.768 18480 14707 1 20 . 1 1 74 74 ALA N N 74 122.360 122.360 121.791 0.569 18480 14708 1 20 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.756 -0.525 18480 14709 1 20 . 1 1 74 74 ALA C C 74 179.374 179.374 179.457 -0.083 18480 14710 1 20 . 1 1 74 74 ALA CA C 74 55.816 55.816 55.012 0.804 18480 14711 1 20 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.158 0.723 18480 14712 1 20 . 1 1 74 74 ALA H H 74 8.540 8.540 8.148 0.392 18480 14713 1 20 . 1 1 75 75 SER N N 75 112.265 112.265 114.137 -1.872 18480 14714 1 20 . 1 1 75 75 SER HA H 75 3.858 3.858 3.941 -0.083 18480 14715 1 20 . 1 1 75 75 SER CA C 75 62.251 62.251 62.342 -0.091 18480 14716 1 20 . 1 1 75 75 SER CB C 75 62.874 62.874 63.141 -0.267 18480 14717 1 20 . 1 1 75 75 SER H H 75 8.859 8.859 8.370 0.489 18480 14718 1 20 . 1 1 76 76 SER N N 76 118.859 118.859 118.923 -0.064 18480 14719 1 20 . 1 1 76 76 SER HA H 76 3.964 3.964 4.407 -0.443 18480 14720 1 20 . 1 1 76 76 SER CA C 76 63.066 63.066 61.108 1.958 18480 14721 1 20 . 1 1 76 76 SER CB C 76 63.377 63.377 62.998 0.379 18480 14722 1 20 . 1 1 76 76 SER H H 76 8.065 8.065 7.537 0.528 18480 14723 1 20 . 1 1 77 77 MET N N 77 120.030 120.030 121.692 -1.662 18480 14724 1 20 . 1 1 77 77 MET HA H 77 4.234 4.234 4.080 0.154 18480 14725 1 20 . 1 1 77 77 MET C C 77 178.354 178.354 178.331 0.023 18480 14726 1 20 . 1 1 77 77 MET CA C 77 57.167 57.167 56.467 0.700 18480 14727 1 20 . 1 1 77 77 MET CB C 77 32.728 32.728 30.689 2.039 18480 14728 1 20 . 1 1 77 77 MET H H 77 7.397 7.397 7.773 -0.376 18480 14729 1 20 . 1 1 78 78 ALA N N 78 119.880 119.880 121.877 -1.997 18480 14730 1 20 . 1 1 78 78 ALA HA H 78 3.903 3.903 3.916 -0.013 18480 14731 1 20 . 1 1 78 78 ALA C C 78 178.354 178.354 179.216 -0.862 18480 14732 1 20 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.156 -0.016 18480 14733 1 20 . 1 1 78 78 ALA CB C 78 19.101 19.101 17.549 1.552 18480 14734 1 20 . 1 1 78 78 ALA H H 78 7.908 7.908 7.546 0.362 18480 14735 1 20 . 1 1 79 79 GLU N N 79 117.907 117.907 119.471 -1.564 18480 14736 1 20 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.824 0.115 18480 14737 1 20 . 1 1 79 79 GLU C C 79 178.894 178.894 178.992 -0.098 18480 14738 1 20 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.343 0.357 18480 14739 1 20 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.611 0.036 18480 14740 1 20 . 1 1 79 79 GLU H H 79 8.576 8.576 7.481 1.095 18480 14741 1 20 . 1 1 80 80 ILE N N 80 121.918 121.918 119.627 2.291 18480 14742 1 20 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.597 0.005 18480 14743 1 20 . 1 1 80 80 ILE C C 80 179.014 179.014 177.928 1.086 18480 14744 1 20 . 1 1 80 80 ILE CA C 80 65.131 65.131 65.165 -0.034 18480 14745 1 20 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.901 -0.276 18480 14746 1 20 . 1 1 80 80 ILE H H 80 8.065 8.065 8.143 -0.078 18480 14747 1 20 . 1 1 81 81 ALA N N 81 120.266 120.266 121.629 -1.363 18480 14748 1 20 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.473 -0.325 18480 14749 1 20 . 1 1 81 81 ALA C C 81 177.258 177.258 180.437 -3.179 18480 14750 1 20 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.374 0.766 18480 14751 1 20 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.573 0.582 18480 14752 1 20 . 1 1 81 81 ALA H H 81 8.169 8.169 8.060 0.108 18480 14753 1 20 . 1 1 82 82 ALA N N 82 114.813 114.813 121.223 -6.410 18480 14754 1 20 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.028 0.023 18480 14755 1 20 . 1 1 82 82 ALA C C 82 177.693 177.693 179.480 -1.787 18480 14756 1 20 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.590 -0.824 18480 14757 1 20 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.342 2.657 18480 14758 1 20 . 1 1 82 82 ALA H H 82 8.019 8.019 8.479 -0.460 18480 14759 1 20 . 1 1 83 83 SER N N 83 110.140 110.140 115.089 -4.949 18480 14760 1 20 . 1 1 83 83 SER HA H 83 4.415 4.415 4.268 0.147 18480 14761 1 20 . 1 1 83 83 SER C C 83 174.856 174.856 175.135 -0.279 18480 14762 1 20 . 1 1 83 83 SER CA C 83 59.772 59.772 61.009 -1.237 18480 14763 1 20 . 1 1 83 83 SER CB C 83 64.952 64.952 63.764 1.188 18480 14764 1 20 . 1 1 83 83 SER H H 83 7.823 7.823 7.718 0.105 18480 14765 1 20 . 1 1 84 84 GLU N N 84 120.696 120.696 118.356 2.340 18480 14766 1 20 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.528 -0.027 18480 14767 1 20 . 1 1 84 84 GLU C C 84 176.597 176.597 175.208 1.389 18480 14768 1 20 . 1 1 84 84 GLU CA C 84 56.596 56.596 56.072 0.524 18480 14769 1 20 . 1 1 84 84 GLU CB C 84 28.537 28.537 32.232 -3.695 18480 14770 1 20 . 1 1 84 84 GLU H H 84 7.666 7.666 7.698 -0.032 18480 14771 1 20 . 1 1 85 85 GLU N N 85 124.951 124.951 123.127 1.824 18480 14772 1 20 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.374 -0.112 18480 14773 1 20 . 1 1 85 85 GLU C C 85 177.258 177.258 177.413 -0.155 18480 14774 1 20 . 1 1 85 85 GLU CA C 85 56.845 56.845 57.060 -0.215 18480 14775 1 20 . 1 1 85 85 GLU CB C 85 30.803 30.803 30.787 0.016 18480 14776 1 20 . 1 1 85 85 GLU H H 85 8.735 8.735 8.696 0.039 18480 14777 1 20 . 1 1 86 86 GLY N N 86 110.356 110.356 109.641 0.715 18480 14778 1 20 . 1 1 86 86 GLY C C 86 174.856 174.856 174.595 0.261 18480 14779 1 20 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.654 -1.264 18480 14780 1 20 . 1 1 86 86 GLY H H 86 8.609 8.609 8.677 -0.068 18480 14781 1 20 . 1 1 87 87 GLY N N 87 107.569 107.569 109.272 -1.703 18480 14782 1 20 . 1 1 87 87 GLY C C 87 174.436 174.436 173.445 0.991 18480 14783 1 20 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.328 -0.068 18480 14784 1 20 . 1 1 87 87 GLY H H 87 7.931 7.931 8.219 -0.288 18480 14785 1 20 . 1 1 88 88 GLY N N 88 109.889 109.889 107.054 2.835 18480 14786 1 20 . 1 1 88 88 GLY C C 88 173.325 173.325 172.453 0.872 18480 14787 1 20 . 1 1 88 88 GLY CA C 88 45.166 45.166 45.205 -0.039 18480 14788 1 20 . 1 1 88 88 GLY H H 88 8.650 8.650 7.579 1.071 18480 14789 1 20 . 1 1 89 89 SER N N 89 114.731 114.731 113.568 1.163 18480 14790 1 20 . 1 1 89 89 SER HA H 89 4.411 4.411 4.779 -0.368 18480 14791 1 20 . 1 1 89 89 SER C C 89 175.066 175.066 176.063 -0.997 18480 14792 1 20 . 1 1 89 89 SER CA C 89 57.363 57.363 55.799 1.564 18480 14793 1 20 . 1 1 89 89 SER CB C 89 62.483 62.483 65.667 -3.184 18480 14794 1 20 . 1 1 89 89 SER H H 89 8.640 8.640 8.021 0.619 18480 14795 1 20 . 1 1 90 90 LEU N N 90 123.210 123.210 123.678 -0.468 18480 14796 1 20 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.150 -0.175 18480 14797 1 20 . 1 1 90 90 LEU C C 90 179.434 179.434 178.344 1.090 18480 14798 1 20 . 1 1 90 90 LEU CA C 90 58.343 58.343 57.895 0.447 18480 14799 1 20 . 1 1 90 90 LEU CB C 90 41.364 41.364 42.104 -0.740 18480 14800 1 20 . 1 1 90 90 LEU H H 90 8.976 8.976 8.783 0.193 18480 14801 1 20 . 1 1 91 91 SER N N 91 115.789 115.789 113.964 1.825 18480 14802 1 20 . 1 1 91 91 SER HA H 91 4.149 4.149 4.307 -0.158 18480 14803 1 20 . 1 1 91 91 SER C C 91 177.325 177.325 175.805 1.520 18480 14804 1 20 . 1 1 91 91 SER CA C 91 61.794 61.794 62.111 -0.317 18480 14805 1 20 . 1 1 91 91 SER CB C 91 62.276 62.276 62.382 -0.106 18480 14806 1 20 . 1 1 91 91 SER H H 91 8.612 8.612 8.357 0.255 18480 14807 1 20 . 1 1 92 92 THR N N 92 122.677 122.677 118.995 3.682 18480 14808 1 20 . 1 1 92 92 THR HA H 92 3.919 3.919 4.065 -0.146 18480 14809 1 20 . 1 1 92 92 THR C C 92 176.162 176.162 176.593 -0.431 18480 14810 1 20 . 1 1 92 92 THR CA C 92 66.719 66.719 66.195 0.524 18480 14811 1 20 . 1 1 92 92 THR CB C 92 68.236 68.236 68.360 -0.124 18480 14812 1 20 . 1 1 92 92 THR H H 92 7.871 7.871 8.095 -0.224 18480 14813 1 20 . 1 1 93 93 LYS N N 93 119.820 119.820 119.361 0.459 18480 14814 1 20 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.230 -0.661 18480 14815 1 20 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.091 1.561 18480 14816 1 20 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.339 2.389 18480 14817 1 20 . 1 1 93 93 LYS H H 93 8.263 8.263 7.535 0.728 18480 14818 1 20 . 1 1 94 94 THR N N 94 113.759 113.759 118.103 -4.344 18480 14819 1 20 . 1 1 94 94 THR HA H 94 3.692 3.692 4.089 -0.397 18480 14820 1 20 . 1 1 94 94 THR C C 94 177.033 177.033 176.281 0.752 18480 14821 1 20 . 1 1 94 94 THR CA C 94 68.122 68.122 67.505 0.617 18480 14822 1 20 . 1 1 94 94 THR CB C 94 68.342 68.342 68.596 -0.254 18480 14823 1 20 . 1 1 94 94 THR H H 94 8.448 8.448 7.608 0.840 18480 14824 1 20 . 1 1 95 95 SER N N 95 117.547 117.547 116.315 1.232 18480 14825 1 20 . 1 1 95 95 SER HA H 95 4.262 4.262 4.266 -0.004 18480 14826 1 20 . 1 1 95 95 SER C C 95 177.828 177.828 176.898 0.930 18480 14827 1 20 . 1 1 95 95 SER CA C 95 61.758 61.758 61.508 0.250 18480 14828 1 20 . 1 1 95 95 SER CB C 95 62.667 62.667 62.986 -0.319 18480 14829 1 20 . 1 1 95 95 SER H H 95 8.173 8.173 8.574 -0.401 18480 14830 1 20 . 1 1 96 96 SER N N 96 121.366 121.366 118.758 2.608 18480 14831 1 20 . 1 1 96 96 SER HA H 96 4.035 4.035 4.328 -0.293 18480 14832 1 20 . 1 1 96 96 SER CA C 96 62.467 62.467 62.294 0.173 18480 14833 1 20 . 1 1 96 96 SER CB C 96 61.755 61.755 63.144 -1.389 18480 14834 1 20 . 1 1 96 96 SER H H 96 8.830 8.830 7.771 1.059 18480 14835 1 20 . 1 1 97 97 ILE N N 97 121.943 121.943 121.805 0.138 18480 14836 1 20 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.897 -0.088 18480 14837 1 20 . 1 1 97 97 ILE C C 97 177.693 177.693 177.673 0.020 18480 14838 1 20 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.413 0.629 18480 14839 1 20 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.879 -0.343 18480 14840 1 20 . 1 1 97 97 ILE H H 97 8.380 8.380 7.900 0.480 18480 14841 1 20 . 1 1 98 98 ALA N N 98 122.507 122.507 122.139 0.368 18480 14842 1 20 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.047 -0.007 18480 14843 1 20 . 1 1 98 98 ALA C C 98 180.740 180.740 179.764 0.976 18480 14844 1 20 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.627 0.761 18480 14845 1 20 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.053 0.101 18480 14846 1 20 . 1 1 98 98 ALA H H 98 8.624 8.624 8.265 0.359 18480 14847 1 20 . 1 1 99 99 SER N N 99 115.850 115.850 114.389 1.461 18480 14848 1 20 . 1 1 99 99 SER HA H 99 4.325 4.325 4.276 0.049 18480 14849 1 20 . 1 1 99 99 SER C C 99 177.168 177.168 176.462 0.706 18480 14850 1 20 . 1 1 99 99 SER CA C 99 61.867 61.867 60.952 0.915 18480 14851 1 20 . 1 1 99 99 SER CB C 99 63.200 63.200 63.016 0.184 18480 14852 1 20 . 1 1 99 99 SER H H 99 8.667 8.667 7.921 0.746 18480 14853 1 20 . 1 1 100 100 ALA N N 100 124.410 124.410 124.058 0.352 18480 14854 1 20 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.020 0.122 18480 14855 1 20 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.899 0.489 18480 14856 1 20 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.208 0.419 18480 14857 1 20 . 1 1 100 100 ALA H H 100 8.744 8.744 7.802 0.942 18480 14858 1 20 . 1 1 101 101 MET N N 101 119.346 119.346 118.667 0.679 18480 14859 1 20 . 1 1 101 101 MET HA H 101 4.368 4.368 4.345 0.023 18480 14860 1 20 . 1 1 101 101 MET CA C 101 59.163 59.163 57.590 1.573 18480 14861 1 20 . 1 1 101 101 MET CB C 101 33.233 33.233 31.886 1.347 18480 14862 1 20 . 1 1 101 101 MET H H 101 9.152 9.152 8.991 0.161 18480 14863 1 20 . 1 1 102 102 SER N N 102 117.124 117.124 115.562 1.562 18480 14864 1 20 . 1 1 102 102 SER HA H 102 4.382 4.382 4.221 0.161 18480 14865 1 20 . 1 1 102 102 SER CA C 102 63.424 63.424 62.362 1.062 18480 14866 1 20 . 1 1 102 102 SER CB C 102 62.639 62.639 62.818 -0.179 18480 14867 1 20 . 1 1 102 102 SER H H 102 8.766 8.766 8.229 0.537 18480 14868 1 20 . 1 1 103 103 ASN N N 103 118.601 118.601 119.458 -0.857 18480 14869 1 20 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.509 -0.043 18480 14870 1 20 . 1 1 103 103 ASN CA C 103 56.639 56.639 56.040 0.599 18480 14871 1 20 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.543 -0.236 18480 14872 1 20 . 1 1 103 103 ASN H H 103 8.298 8.298 7.969 0.329 18480 14873 1 20 . 1 1 104 104 ALA N N 104 122.821 122.821 122.593 0.228 18480 14874 1 20 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.987 0.252 18480 14875 1 20 . 1 1 104 104 ALA C C 104 181.701 181.701 179.904 1.797 18480 14876 1 20 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.543 0.729 18480 14877 1 20 . 1 1 104 104 ALA CB C 104 18.174 18.174 17.833 0.341 18480 14878 1 20 . 1 1 104 104 ALA H H 104 7.969 7.969 7.962 0.007 18480 14879 1 20 . 1 1 105 105 PHE N N 105 119.585 119.585 117.066 2.519 18480 14880 1 20 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.414 -0.206 18480 14881 1 20 . 1 1 105 105 PHE C C 105 179.224 179.224 178.037 1.187 18480 14882 1 20 . 1 1 105 105 PHE CA C 105 64.122 64.122 62.001 2.121 18480 14883 1 20 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.952 0.615 18480 14884 1 20 . 1 1 105 105 PHE H H 105 8.647 8.647 8.195 0.452 18480 14885 1 20 . 1 1 106 106 LEU N N 106 121.925 121.925 118.722 3.203 18480 14886 1 20 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.042 -0.343 18480 14887 1 20 . 1 1 106 106 LEU C C 106 179.074 179.074 179.384 -0.310 18480 14888 1 20 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.672 1.383 18480 14889 1 20 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.578 -0.116 18480 14890 1 20 . 1 1 106 106 LEU H H 106 8.450 8.450 7.311 1.139 18480 14891 1 20 . 1 1 107 107 GLN N N 107 115.214 115.214 117.242 -2.028 18480 14892 1 20 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.196 -0.094 18480 14893 1 20 . 1 1 107 107 GLN C C 107 176.822 176.822 177.393 -0.571 18480 14894 1 20 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.712 -0.127 18480 14895 1 20 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.421 0.858 18480 14896 1 20 . 1 1 107 107 GLN H H 107 8.444 8.444 8.232 0.212 18480 14897 1 20 . 1 1 108 108 THR N N 108 109.014 109.014 111.168 -2.154 18480 14898 1 20 . 1 1 108 108 THR HA H 108 4.369 4.369 4.409 -0.040 18480 14899 1 20 . 1 1 108 108 THR C C 108 175.952 175.952 175.907 0.045 18480 14900 1 20 . 1 1 108 108 THR CA C 108 63.658 63.658 63.249 0.409 18480 14901 1 20 . 1 1 108 108 THR CB C 108 70.179 70.179 69.527 0.652 18480 14902 1 20 . 1 1 108 108 THR H H 108 7.631 7.631 7.698 -0.067 18480 14903 1 20 . 1 1 109 109 THR N N 109 110.844 110.844 114.679 -3.835 18480 14904 1 20 . 1 1 109 109 THR HA H 109 4.477 4.477 4.318 0.159 18480 14905 1 20 . 1 1 109 109 THR C C 109 176.162 176.162 175.743 0.419 18480 14906 1 20 . 1 1 109 109 THR CA C 109 61.728 61.728 62.801 -1.073 18480 14907 1 20 . 1 1 109 109 THR CB C 109 70.659 70.659 69.442 1.217 18480 14908 1 20 . 1 1 109 109 THR H H 109 8.623 8.623 7.873 0.750 18480 14909 1 20 . 1 1 110 110 GLY N N 110 109.549 109.549 109.845 -0.296 18480 14910 1 20 . 1 1 110 110 GLY C C 110 172.889 172.889 173.186 -0.297 18480 14911 1 20 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.981 0.562 18480 14912 1 20 . 1 1 110 110 GLY H H 110 8.113 8.113 8.379 -0.266 18480 14913 1 20 . 1 1 111 111 VAL N N 111 118.903 118.903 118.443 0.460 18480 14914 1 20 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.376 -0.120 18480 14915 1 20 . 1 1 111 111 VAL C C 111 174.421 174.421 174.075 0.346 18480 14916 1 20 . 1 1 111 111 VAL CA C 111 60.761 60.761 61.079 -0.318 18480 14917 1 20 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.270 0.240 18480 14918 1 20 . 1 1 111 111 VAL H H 111 7.724 7.724 7.671 0.053 18480 14919 1 20 . 1 1 112 112 VAL N N 112 124.398 124.398 123.717 0.681 18480 14920 1 20 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.042 -0.809 18480 14921 1 20 . 1 1 112 112 VAL C C 112 174.646 174.646 175.620 -0.974 18480 14922 1 20 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.577 3.158 18480 14923 1 20 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.362 -0.556 18480 14924 1 20 . 1 1 112 112 VAL H H 112 8.627 8.627 8.165 0.462 18480 14925 1 20 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.437 0.132 18480 14926 1 20 . 1 1 113 113 ASN CA C 113 51.207 51.207 55.208 -4.001 18480 14927 1 20 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.681 -0.300 18480 14928 1 20 . 1 1 114 114 GLN N N 114 125.364 125.364 114.695 10.669 18480 14929 1 20 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.444 -0.504 18480 14930 1 20 . 1 1 114 114 GLN C C 114 174.811 174.811 173.775 1.036 18480 14931 1 20 . 1 1 114 114 GLN CA C 114 59.636 59.636 57.488 2.148 18480 14932 1 20 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.678 -1.586 18480 14933 1 20 . 1 1 114 114 GLN H H 114 8.731 8.731 8.091 0.640 18480 14934 1 20 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.582 -0.314 18480 14935 1 20 . 1 1 115 115 PRO CA C 115 66.661 66.661 64.216 2.445 18480 14936 1 20 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.638 -0.441 18480 14937 1 20 . 1 1 116 116 PHE N N 116 118.102 118.102 120.675 -2.573 18480 14938 1 20 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.157 0.104 18480 14939 1 20 . 1 1 116 116 PHE C C 116 176.597 176.597 177.102 -0.505 18480 14940 1 20 . 1 1 116 116 PHE CA C 116 61.290 61.290 62.037 -0.747 18480 14941 1 20 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.164 0.416 18480 14942 1 20 . 1 1 116 116 PHE H H 116 7.712 7.712 8.111 -0.399 18480 14943 1 20 . 1 1 117 117 ILE N N 117 118.950 118.950 117.097 1.853 18480 14944 1 20 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.888 -0.234 18480 14945 1 20 . 1 1 117 117 ILE C C 117 178.789 178.789 178.118 0.671 18480 14946 1 20 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.861 0.779 18480 14947 1 20 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.785 -0.272 18480 14948 1 20 . 1 1 117 117 ILE H H 117 7.747 7.747 8.209 -0.462 18480 14949 1 20 . 1 1 118 118 ASN N N 118 119.204 119.204 118.735 0.469 18480 14950 1 20 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.485 -0.118 18480 14951 1 20 . 1 1 118 118 ASN C C 118 177.033 177.033 177.976 -0.943 18480 14952 1 20 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.034 -0.253 18480 14953 1 20 . 1 1 118 118 ASN CB C 118 37.485 37.485 37.915 -0.430 18480 14954 1 20 . 1 1 118 118 ASN H H 118 8.847 8.847 7.826 1.021 18480 14955 1 20 . 1 1 119 119 GLU N N 119 120.684 120.684 119.877 0.807 18480 14956 1 20 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.121 -0.156 18480 14957 1 20 . 1 1 119 119 GLU C C 119 178.564 178.564 178.714 -0.150 18480 14958 1 20 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.362 0.752 18480 14959 1 20 . 1 1 119 119 GLU CB C 119 28.518 28.518 28.821 -0.303 18480 14960 1 20 . 1 1 119 119 GLU H H 119 8.081 8.081 8.138 -0.057 18480 14961 1 20 . 1 1 120 120 ILE N N 120 118.037 118.037 118.463 -0.426 18480 14962 1 20 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.795 -0.223 18480 14963 1 20 . 1 1 120 120 ILE C C 120 178.279 178.279 177.941 0.338 18480 14964 1 20 . 1 1 120 120 ILE CA C 120 63.098 63.098 64.035 -0.937 18480 14965 1 20 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.383 -1.131 18480 14966 1 20 . 1 1 120 120 ILE H H 120 7.948 7.948 7.802 0.146 18480 14967 1 20 . 1 1 121 121 THR N N 121 113.671 113.671 111.892 1.779 18480 14968 1 20 . 1 1 121 121 THR HA H 121 3.804 3.804 4.031 -0.227 18480 14969 1 20 . 1 1 121 121 THR C C 121 177.258 177.258 176.707 0.551 18480 14970 1 20 . 1 1 121 121 THR CA C 121 66.771 66.771 66.165 0.606 18480 14971 1 20 . 1 1 121 121 THR CB C 121 68.293 68.293 68.293 -0.000 18480 14972 1 20 . 1 1 121 121 THR H H 121 8.345 8.345 7.732 0.613 18480 14973 1 20 . 1 1 122 122 GLN N N 122 121.849 121.849 121.049 0.800 18480 14974 1 20 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.179 -0.180 18480 14975 1 20 . 1 1 122 122 GLN C C 122 179.014 179.014 178.396 0.618 18480 14976 1 20 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.364 0.402 18480 14977 1 20 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.365 0.067 18480 14978 1 20 . 1 1 122 122 GLN H H 122 7.589 7.589 7.483 0.106 18480 14979 1 20 . 1 1 123 123 LEU N N 123 120.855 120.855 121.026 -0.171 18480 14980 1 20 . 1 1 123 123 LEU HA H 123 3.418 3.418 4.160 -0.742 18480 14981 1 20 . 1 1 123 123 LEU C C 123 178.354 178.354 178.898 -0.544 18480 14982 1 20 . 1 1 123 123 LEU CA C 123 57.816 57.816 58.251 -0.435 18480 14983 1 20 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.511 -0.660 18480 14984 1 20 . 1 1 123 123 LEU H H 123 8.081 8.081 7.612 0.469 18480 14985 1 20 . 1 1 124 124 VAL N N 124 115.864 115.864 116.867 -1.003 18480 14986 1 20 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.747 -0.397 18480 14987 1 20 . 1 1 124 124 VAL C C 124 177.453 177.453 178.495 -1.042 18480 14988 1 20 . 1 1 124 124 VAL CA C 124 67.473 67.473 65.353 2.120 18480 14989 1 20 . 1 1 124 124 VAL CB C 124 31.606 31.606 30.585 1.021 18480 14990 1 20 . 1 1 124 124 VAL H H 124 7.574 7.574 7.697 -0.123 18480 14991 1 20 . 1 1 125 125 SER N N 125 110.334 110.334 114.885 -4.551 18480 14992 1 20 . 1 1 125 125 SER HA H 125 4.054 4.054 4.276 -0.222 18480 14993 1 20 . 1 1 125 125 SER C C 125 175.937 175.937 176.532 -0.595 18480 14994 1 20 . 1 1 125 125 SER CA C 125 61.763 61.763 61.207 0.556 18480 14995 1 20 . 1 1 125 125 SER CB C 125 62.864 62.864 63.517 -0.654 18480 14996 1 20 . 1 1 125 125 SER H H 125 6.950 6.950 7.461 -0.511 18480 14997 1 20 . 1 1 126 126 MET N N 126 121.750 121.750 119.547 2.203 18480 14998 1 20 . 1 1 126 126 MET HA H 126 3.951 3.951 4.251 -0.300 18480 14999 1 20 . 1 1 126 126 MET C C 126 179.254 179.254 178.516 0.738 18480 15000 1 20 . 1 1 126 126 MET CA C 126 59.246 59.246 58.794 0.452 18480 15001 1 20 . 1 1 126 126 MET CB C 126 33.265 33.265 32.517 0.748 18480 15002 1 20 . 1 1 126 126 MET H H 126 8.113 8.113 8.377 -0.264 18480 15003 1 20 . 1 1 127 127 PHE N N 127 118.909 118.909 118.172 0.737 18480 15004 1 20 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.199 0.444 18480 15005 1 20 . 1 1 127 127 PHE C C 127 178.128 178.128 176.891 1.237 18480 15006 1 20 . 1 1 127 127 PHE CA C 127 56.759 56.759 61.136 -4.377 18480 15007 1 20 . 1 1 127 127 PHE CB C 127 37.061 37.061 38.188 -1.127 18480 15008 1 20 . 1 1 127 127 PHE H H 127 8.791 8.791 8.684 0.107 18480 15009 1 20 . 1 1 128 128 ALA N N 128 122.620 122.620 120.777 1.843 18480 15010 1 20 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.201 -0.025 18480 15011 1 20 . 1 1 128 128 ALA C C 128 178.789 178.789 178.654 0.135 18480 15012 1 20 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.338 0.327 18480 15013 1 20 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.680 0.485 18480 15014 1 20 . 1 1 128 128 ALA H H 128 8.235 8.235 7.402 0.833 18480 15015 1 20 . 1 1 129 129 GLN N N 129 116.507 116.507 116.825 -0.318 18480 15016 1 20 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.234 -0.009 18480 15017 1 20 . 1 1 129 129 GLN C C 129 177.258 177.258 177.992 -0.734 18480 15018 1 20 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.138 -0.120 18480 15019 1 20 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.459 0.666 18480 15020 1 20 . 1 1 129 129 GLN H H 129 7.715 7.715 7.718 -0.003 18480 15021 1 20 . 1 1 130 130 ALA N N 130 122.020 122.020 121.126 0.894 18480 15022 1 20 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.022 0.198 18480 15023 1 20 . 1 1 130 130 ALA C C 130 178.564 178.564 178.313 0.251 18480 15024 1 20 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.811 -0.005 18480 15025 1 20 . 1 1 130 130 ALA CB C 130 18.960 18.960 18.543 0.417 18480 15026 1 20 . 1 1 130 130 ALA H H 130 7.775 7.775 7.442 0.333 18480 15027 1 20 . 1 1 131 131 GLY N N 131 106.006 106.006 104.626 1.380 18480 15028 1 20 . 1 1 131 131 GLY C C 131 173.970 173.970 175.265 -1.295 18480 15029 1 20 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.230 -0.117 18480 15030 1 20 . 1 1 131 131 GLY H H 131 8.110 8.110 8.268 -0.158 18480 15031 1 20 . 1 1 132 132 MET N N 132 118.637 118.637 117.250 1.387 18480 15032 1 20 . 1 1 132 132 MET HA H 132 4.401 4.401 4.412 -0.011 18480 15033 1 20 . 1 1 132 132 MET C C 132 175.952 175.952 176.178 -0.226 18480 15034 1 20 . 1 1 132 132 MET CA C 132 56.375 56.375 56.100 0.275 18480 15035 1 20 . 1 1 132 132 MET CB C 132 32.939 32.939 30.613 2.325 18480 15036 1 20 . 1 1 132 132 MET H H 132 7.945 7.945 8.174 -0.229 18480 15037 1 20 . 1 1 133 133 ASN N N 133 117.955 117.955 116.038 1.917 18480 15038 1 20 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.648 0.123 18480 15039 1 20 . 1 1 133 133 ASN C C 133 174.646 174.646 175.478 -0.832 18480 15040 1 20 . 1 1 133 133 ASN CA C 133 53.488 53.488 53.868 -0.380 18480 15041 1 20 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.301 1.075 18480 15042 1 20 . 1 1 133 133 ASN H H 133 8.283 8.283 8.128 0.155 18480 15043 1 20 . 1 1 134 134 ASP N N 134 120.891 120.891 120.864 0.027 18480 15044 1 20 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.673 -0.054 18480 15045 1 20 . 1 1 134 134 ASP C C 134 176.162 176.162 176.832 -0.670 18480 15046 1 20 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.620 -1.219 18480 15047 1 20 . 1 1 134 134 ASP CB C 134 41.173 41.173 42.594 -1.421 18480 15048 1 20 . 1 1 134 134 ASP H H 134 8.192 8.192 7.622 0.570 18480 15049 1 20 . 1 1 135 135 VAL N N 135 119.737 119.737 115.851 3.886 18480 15050 1 20 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.644 0.536 18480 15051 1 20 . 1 1 135 135 VAL C C 135 176.162 176.162 175.102 1.060 18480 15052 1 20 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.738 -1.592 18480 15053 1 20 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.796 2.934 18480 15054 1 20 . 1 1 135 135 VAL H H 135 8.056 8.056 8.009 0.047 18480 15055 1 20 . 1 1 136 136 SER N N 136 119.689 119.689 110.294 9.395 18480 15056 1 20 . 1 1 136 136 SER HA H 136 4.427 4.427 4.078 0.349 18480 15057 1 20 . 1 1 136 136 SER C C 136 173.325 173.325 174.512 -1.187 18480 15058 1 20 . 1 1 136 136 SER CA C 136 58.351 58.351 59.706 -1.355 18480 15059 1 20 . 1 1 136 136 SER CB C 136 64.031 64.031 61.224 2.807 18480 15060 1 20 . 1 1 136 136 SER H H 136 8.355 8.355 8.476 -0.121 18480 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 128 2.705 -0.146 2.711 18480 2 1 1 "Average Difference" HA 144 0.275 0.105 0.255 18480 3 1 1 "Average Difference" C 115 0.958 -0.229 0.934 18480 4 1 1 "Average Difference" CA 134 1.099 -0.465 0.999 18480 5 1 1 "Average Difference" CB 124 1.239 -0.022 1.244 18480 6 1 1 "Average Difference" HN 128 0.494 -0.191 0.458 18480 7 1 2 "Average Difference" N 128 2.464 0.102 2.471 18480 8 1 2 "Average Difference" HA 144 0.274 0.074 0.265 18480 9 1 2 "Average Difference" C 115 0.876 -0.193 0.858 18480 10 1 2 "Average Difference" CA 134 1.039 -0.417 0.955 18480 11 1 2 "Average Difference" CB 124 1.151 -0.076 1.153 18480 12 1 2 "Average Difference" HN 128 0.514 -0.216 0.468 18480 13 1 3 "Average Difference" N 128 2.336 0.010 2.345 18480 14 1 3 "Average Difference" HA 144 0.270 0.107 0.249 18480 15 1 3 "Average Difference" C 115 0.903 -0.242 0.874 18480 16 1 3 "Average Difference" CA 134 1.188 -0.504 1.080 18480 17 1 3 "Average Difference" CB 124 1.169 -0.060 1.172 18480 18 1 3 "Average Difference" HN 128 0.488 -0.212 0.441 18480 19 1 4 "Average Difference" N 128 2.403 -0.259 2.398 18480 20 1 4 "Average Difference" HA 144 0.252 0.085 0.239 18480 21 1 4 "Average Difference" C 115 0.927 -0.228 0.902 18480 22 1 4 "Average Difference" CA 134 1.076 -0.494 0.959 18480 23 1 4 "Average Difference" CB 124 1.187 -0.061 1.191 18480 24 1 4 "Average Difference" HN 128 0.514 -0.264 0.442 18480 25 1 5 "Average Difference" N 128 2.549 -0.159 2.554 18480 26 1 5 "Average Difference" HA 144 0.270 0.084 0.258 18480 27 1 5 "Average Difference" C 115 0.968 -0.272 0.933 18480 28 1 5 "Average Difference" CA 134 1.128 -0.431 1.047 18480 29 1 5 "Average Difference" CB 124 1.266 -0.002 1.271 18480 30 1 5 "Average Difference" HN 128 0.496 -0.279 0.411 18480 31 1 6 "Average Difference" N 128 2.310 0.088 2.317 18480 32 1 6 "Average Difference" HA 144 0.264 0.088 0.250 18480 33 1 6 "Average Difference" C 115 0.936 -0.231 0.911 18480 34 1 6 "Average Difference" CA 134 1.093 -0.429 1.009 18480 35 1 6 "Average Difference" CB 124 1.194 -0.076 1.196 18480 36 1 6 "Average Difference" HN 128 0.511 -0.208 0.469 18480 37 1 7 "Average Difference" N 128 2.379 0.063 2.388 18480 38 1 7 "Average Difference" HA 144 0.257 0.078 0.246 18480 39 1 7 "Average Difference" C 115 0.879 -0.231 0.852 18480 40 1 7 "Average Difference" CA 134 1.008 -0.420 0.919 18480 41 1 7 "Average Difference" CB 124 1.172 -0.072 1.174 18480 42 1 7 "Average Difference" HN 128 0.475 -0.200 0.432 18480 43 1 8 "Average Difference" N 128 2.694 -0.161 2.700 18480 44 1 8 "Average Difference" HA 144 0.266 0.085 0.253 18480 45 1 8 "Average Difference" C 115 0.951 -0.241 0.924 18480 46 1 8 "Average Difference" CA 134 1.201 -0.423 1.128 18480 47 1 8 "Average Difference" CB 124 1.211 -0.073 1.214 18480 48 1 8 "Average Difference" HN 128 0.492 -0.232 0.436 18480 49 1 9 "Average Difference" N 128 2.502 -0.086 2.510 18480 50 1 9 "Average Difference" HA 144 0.271 0.094 0.255 18480 51 1 9 "Average Difference" C 115 0.940 -0.274 0.902 18480 52 1 9 "Average Difference" CA 134 1.164 -0.540 1.034 18480 53 1 9 "Average Difference" CB 124 1.227 -0.057 1.231 18480 54 1 9 "Average Difference" HN 128 0.493 -0.235 0.435 18480 55 1 10 "Average Difference" N 128 2.454 -0.077 2.463 18480 56 1 10 "Average Difference" HA 144 0.256 0.077 0.245 18480 57 1 10 "Average Difference" C 115 0.833 -0.211 0.810 18480 58 1 10 "Average Difference" CA 134 1.027 -0.442 0.930 18480 59 1 10 "Average Difference" CB 124 1.129 -0.133 1.125 18480 60 1 10 "Average Difference" HN 128 0.542 -0.237 0.490 18480 61 1 11 "Average Difference" N 128 2.377 -0.046 2.386 18480 62 1 11 "Average Difference" HA 144 0.280 0.077 0.270 18480 63 1 11 "Average Difference" C 115 0.810 -0.130 0.803 18480 64 1 11 "Average Difference" CA 134 1.088 -0.376 1.025 18480 65 1 11 "Average Difference" CB 124 1.126 -0.079 1.128 18480 66 1 11 "Average Difference" HN 128 0.486 -0.197 0.446 18480 67 1 12 "Average Difference" N 128 2.680 0.124 2.688 18480 68 1 12 "Average Difference" HA 144 0.276 0.082 0.264 18480 69 1 12 "Average Difference" C 115 0.962 -0.306 0.916 18480 70 1 12 "Average Difference" CA 134 1.153 -0.494 1.046 18480 71 1 12 "Average Difference" CB 124 1.243 -0.070 1.246 18480 72 1 12 "Average Difference" HN 128 0.509 -0.236 0.453 18480 73 1 13 "Average Difference" N 128 2.473 0.146 2.479 18480 74 1 13 "Average Difference" HA 144 0.244 0.077 0.232 18480 75 1 13 "Average Difference" C 115 0.974 -0.243 0.947 18480 76 1 13 "Average Difference" CA 134 1.075 -0.359 1.017 18480 77 1 13 "Average Difference" CB 124 1.168 -0.071 1.170 18480 78 1 13 "Average Difference" HN 128 0.492 -0.172 0.463 18480 79 1 14 "Average Difference" N 128 2.391 0.197 2.392 18480 80 1 14 "Average Difference" HA 144 0.263 0.069 0.255 18480 81 1 14 "Average Difference" C 115 0.851 -0.213 0.827 18480 82 1 14 "Average Difference" CA 134 1.104 -0.394 1.035 18480 83 1 14 "Average Difference" CB 124 1.179 -0.052 1.182 18480 84 1 14 "Average Difference" HN 128 0.467 -0.181 0.433 18480 85 1 15 "Average Difference" N 128 2.519 0.079 2.528 18480 86 1 15 "Average Difference" HA 144 0.270 0.068 0.262 18480 87 1 15 "Average Difference" C 115 0.885 -0.155 0.875 18480 88 1 15 "Average Difference" CA 134 1.096 -0.421 1.016 18480 89 1 15 "Average Difference" CB 124 1.193 -0.064 1.196 18480 90 1 15 "Average Difference" HN 128 0.472 -0.191 0.434 18480 91 1 16 "Average Difference" N 128 2.503 0.085 2.511 18480 92 1 16 "Average Difference" HA 144 0.271 0.082 0.260 18480 93 1 16 "Average Difference" C 115 0.788 -0.161 0.775 18480 94 1 16 "Average Difference" CA 134 1.004 -0.354 0.943 18480 95 1 16 "Average Difference" CB 124 1.103 -0.029 1.107 18480 96 1 16 "Average Difference" HN 128 0.489 -0.177 0.458 18480 97 1 17 "Average Difference" N 128 2.548 0.174 2.552 18480 98 1 17 "Average Difference" HA 144 0.285 0.084 0.273 18480 99 1 17 "Average Difference" C 115 0.957 -0.251 0.927 18480 100 1 17 "Average Difference" CA 134 1.132 -0.426 1.053 18480 101 1 17 "Average Difference" CB 124 1.209 -0.111 1.208 18480 102 1 17 "Average Difference" HN 128 0.441 -0.180 0.404 18480 103 1 18 "Average Difference" N 128 2.517 -0.033 2.526 18480 104 1 18 "Average Difference" HA 144 0.290 0.103 0.272 18480 105 1 18 "Average Difference" C 115 1.023 -0.339 0.969 18480 106 1 18 "Average Difference" CA 134 1.203 -0.547 1.075 18480 107 1 18 "Average Difference" CB 124 1.241 -0.087 1.243 18480 108 1 18 "Average Difference" HN 128 0.511 -0.239 0.453 18480 109 1 19 "Average Difference" N 128 2.446 0.147 2.451 18480 110 1 19 "Average Difference" HA 144 0.280 0.087 0.267 18480 111 1 19 "Average Difference" C 115 0.824 -0.177 0.809 18480 112 1 19 "Average Difference" CA 134 1.005 -0.351 0.946 18480 113 1 19 "Average Difference" CB 124 1.263 -0.088 1.265 18480 114 1 19 "Average Difference" HN 128 0.470 -0.174 0.439 18480 115 1 20 "Average Difference" N 128 2.535 -0.066 2.544 18480 116 1 20 "Average Difference" HA 144 0.288 0.055 0.283 18480 117 1 20 "Average Difference" C 115 0.896 -0.209 0.875 18480 118 1 20 "Average Difference" CA 134 1.119 -0.383 1.055 18480 119 1 20 "Average Difference" CB 124 1.203 -0.135 1.201 18480 120 1 20 "Average Difference" HN 128 0.511 -0.205 0.470 18480 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 18480 _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 3 3 GLY N N 3 110.996 110.996 111.126 -0.130 18480 2 1 . 1 1 3 3 GLY CA C 3 45.476 45.476 44.871 0.605 18480 3 1 . 1 1 3 3 GLY H H 3 8.591 8.591 8.347 0.244 18480 4 1 . 1 1 4 4 ASN N N 4 118.637 118.637 120.197 -1.560 18480 5 1 . 1 1 4 4 ASN HA H 4 4.728 4.728 4.678 0.050 18480 6 1 . 1 1 4 4 ASN CA C 4 53.170 53.170 53.151 0.018 18480 7 1 . 1 1 4 4 ASN CB C 4 39.064 39.064 38.705 0.359 18480 8 1 . 1 1 4 4 ASN H H 4 8.318 8.318 8.371 -0.053 18480 9 1 . 1 1 5 5 SER N N 5 116.285 116.285 116.898 -0.613 18480 10 1 . 1 1 5 5 SER HA H 5 4.352 4.352 4.466 -0.114 18480 11 1 . 1 1 5 5 SER CA C 5 58.593 58.593 58.443 0.150 18480 12 1 . 1 1 5 5 SER CB C 5 63.633 63.633 63.122 0.511 18480 13 1 . 1 1 5 5 SER H H 5 8.280 8.280 8.281 -0.001 18480 14 1 . 1 1 6 6 HIS N N 6 119.777 119.777 123.273 -3.496 18480 15 1 . 1 1 6 6 HIS HA H 6 4.738 4.738 4.709 0.029 18480 16 1 . 1 1 6 6 HIS CA C 6 55.344 55.344 55.749 -0.405 18480 17 1 . 1 1 6 6 HIS CB C 6 29.328 29.328 31.045 -1.717 18480 18 1 . 1 1 6 6 HIS H H 6 8.460 8.460 8.282 0.178 18480 19 1 . 1 1 7 7 THR N N 7 115.111 115.111 114.387 0.724 18480 20 1 . 1 1 7 7 THR HA H 7 4.217 4.217 4.358 -0.141 18480 21 1 . 1 1 7 7 THR C C 7 173.970 173.970 173.454 0.516 18480 22 1 . 1 1 7 7 THR CA C 7 62.118 62.118 61.771 0.347 18480 23 1 . 1 1 7 7 THR CB C 7 69.871 69.871 69.251 0.620 18480 24 1 . 1 1 7 7 THR H H 7 8.202 8.202 8.257 -0.055 18480 25 1 . 1 1 8 8 THR N N 8 113.695 113.695 115.342 -1.647 18480 26 1 . 1 1 8 8 THR HA H 8 4.439 4.439 4.403 0.036 18480 27 1 . 1 1 8 8 THR C C 8 172.664 172.664 172.783 -0.119 18480 28 1 . 1 1 8 8 THR CA C 8 58.847 58.847 58.925 -0.078 18480 29 1 . 1 1 8 8 THR CB C 8 62.183 62.183 69.184 -7.001 18480 30 1 . 1 1 8 8 THR H H 8 8.113 8.113 7.697 0.416 18480 31 1 . 1 1 9 9 PRO HA H 9 3.965 3.965 4.312 -0.347 18480 32 1 . 1 1 9 9 PRO CA C 9 63.436 63.436 64.306 -0.870 18480 33 1 . 1 1 9 9 PRO CB C 9 31.171 31.171 31.475 -0.304 18480 34 1 . 1 1 10 10 TRP N N 10 108.872 108.872 111.721 -2.849 18480 35 1 . 1 1 10 10 TRP HA H 10 4.589 4.589 4.978 -0.389 18480 36 1 . 1 1 10 10 TRP C C 10 175.817 175.817 175.858 -0.041 18480 37 1 . 1 1 10 10 TRP CA C 10 55.172 55.172 54.663 0.509 18480 38 1 . 1 1 10 10 TRP CB C 10 26.975 26.975 28.045 -1.070 18480 39 1 . 1 1 10 10 TRP H H 10 6.511 6.511 6.947 -0.436 18480 40 1 . 1 1 11 11 THR N N 11 113.736 113.736 116.508 -2.772 18480 41 1 . 1 1 11 11 THR HA H 11 3.899 3.899 4.182 -0.283 18480 42 1 . 1 1 11 11 THR C C 11 173.970 173.970 173.896 0.074 18480 43 1 . 1 1 11 11 THR CA C 11 65.731 65.731 64.480 1.251 18480 44 1 . 1 1 11 11 THR CB C 11 69.609 69.609 68.872 0.737 18480 45 1 . 1 1 11 11 THR H H 11 7.310 7.310 7.555 -0.245 18480 46 1 . 1 1 12 12 ASN N N 12 112.814 112.814 115.724 -2.910 18480 47 1 . 1 1 12 12 ASN HA H 12 4.672 4.672 5.087 -0.415 18480 48 1 . 1 1 12 12 ASN C C 12 172.889 172.889 173.241 -0.352 18480 49 1 . 1 1 12 12 ASN CA C 12 52.128 52.128 51.005 1.123 18480 50 1 . 1 1 12 12 ASN CB C 12 38.699 38.699 38.878 -0.179 18480 51 1 . 1 1 12 12 ASN H H 12 7.234 7.234 7.493 -0.259 18480 52 1 . 1 1 13 13 PRO HA H 13 4.082 4.082 4.280 -0.198 18480 53 1 . 1 1 13 13 PRO CA C 13 65.642 65.642 65.623 0.019 18480 54 1 . 1 1 13 13 PRO CB C 13 32.053 32.053 31.865 0.189 18480 55 1 . 1 1 14 14 GLY N N 14 107.424 107.424 105.905 1.519 18480 56 1 . 1 1 14 14 GLY C C 14 175.952 175.952 175.942 0.010 18480 57 1 . 1 1 14 14 GLY CA C 14 47.190 47.190 46.585 0.605 18480 58 1 . 1 1 14 14 GLY H H 14 8.288 8.288 8.190 0.098 18480 59 1 . 1 1 15 15 LEU N N 15 122.906 122.906 121.669 1.237 18480 60 1 . 1 1 15 15 LEU HA H 15 4.030 4.030 4.147 -0.117 18480 61 1 . 1 1 15 15 LEU C C 15 178.564 178.564 178.516 0.048 18480 62 1 . 1 1 15 15 LEU CA C 15 57.876 57.876 56.623 1.253 18480 63 1 . 1 1 15 15 LEU CB C 15 42.316 42.316 42.136 0.181 18480 64 1 . 1 1 15 15 LEU H H 15 7.956 7.956 8.216 -0.260 18480 65 1 . 1 1 16 16 ALA N N 16 122.949 122.949 122.763 0.186 18480 66 1 . 1 1 16 16 ALA HA H 16 4.105 4.105 4.156 -0.051 18480 67 1 . 1 1 16 16 ALA C C 16 179.104 179.104 179.458 -0.355 18480 68 1 . 1 1 16 16 ALA CA C 16 55.980 55.980 55.138 0.842 18480 69 1 . 1 1 16 16 ALA CB C 16 19.135 19.135 18.650 0.485 18480 70 1 . 1 1 16 16 ALA H H 16 7.598 7.598 7.887 -0.289 18480 71 1 . 1 1 17 17 GLU N N 17 116.632 116.632 116.653 -0.021 18480 72 1 . 1 1 17 17 GLU HA H 17 3.820 3.820 4.016 -0.197 18480 73 1 . 1 1 17 17 GLU C C 17 177.993 177.993 178.514 -0.521 18480 74 1 . 1 1 17 17 GLU CA C 17 59.049 59.049 58.549 0.500 18480 75 1 . 1 1 17 17 GLU CB C 17 28.721 28.721 29.319 -0.598 18480 76 1 . 1 1 17 17 GLU H H 17 8.097 8.097 8.283 -0.186 18480 77 1 . 1 1 18 18 ASN N N 18 117.645 117.645 118.968 -1.323 18480 78 1 . 1 1 18 18 ASN HA H 18 4.427 4.427 4.484 -0.057 18480 79 1 . 1 1 18 18 ASN C C 18 178.347 178.347 177.227 1.120 18480 80 1 . 1 1 18 18 ASN CA C 18 56.094 56.094 55.811 0.283 18480 81 1 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.338 -0.214 18480 82 1 . 1 1 18 18 ASN H H 18 8.196 8.196 7.958 0.238 18480 83 1 . 1 1 19 19 PHE N N 19 123.188 123.188 121.648 1.540 18480 84 1 . 1 1 19 19 PHE HA H 19 3.951 3.951 4.123 -0.172 18480 85 1 . 1 1 19 19 PHE C C 19 176.837 176.837 177.177 -0.340 18480 86 1 . 1 1 19 19 PHE CA C 19 61.897 61.897 61.896 0.002 18480 87 1 . 1 1 19 19 PHE CB C 19 39.729 39.729 38.982 0.747 18480 88 1 . 1 1 19 19 PHE H H 19 8.868 8.868 8.146 0.722 18480 89 1 . 1 1 20 20 MET N N 20 118.140 118.140 116.293 1.847 18480 90 1 . 1 1 20 20 MET HA H 20 3.303 3.303 3.702 -0.399 18480 91 1 . 1 1 20 20 MET C C 20 178.924 178.924 178.020 0.904 18480 92 1 . 1 1 20 20 MET CA C 20 60.043 60.043 58.460 1.583 18480 93 1 . 1 1 20 20 MET CB C 20 33.527 33.527 31.368 2.159 18480 94 1 . 1 1 20 20 MET H H 20 7.644 7.644 7.650 -0.006 18480 95 1 . 1 1 21 21 ASN N N 21 116.213 116.213 119.137 -2.924 18480 96 1 . 1 1 21 21 ASN HA H 21 4.453 4.453 4.429 0.024 18480 97 1 . 1 1 21 21 ASN C C 21 178.249 178.249 177.856 0.393 18480 98 1 . 1 1 21 21 ASN CA C 21 55.949 55.949 56.584 -0.635 18480 99 1 . 1 1 21 21 ASN CB C 21 38.097 38.097 38.301 -0.204 18480 100 1 . 1 1 21 21 ASN H H 21 8.169 8.169 7.975 0.194 18480 101 1 . 1 1 22 22 SER N N 22 117.086 117.086 115.756 1.330 18480 102 1 . 1 1 22 22 SER HA H 22 4.152 4.152 4.299 -0.147 18480 103 1 . 1 1 22 22 SER C C 22 178.143 178.143 175.865 2.278 18480 104 1 . 1 1 22 22 SER CA C 22 62.154 62.154 61.297 0.857 18480 105 1 . 1 1 22 22 SER CB C 22 62.709 62.709 62.959 -0.250 18480 106 1 . 1 1 22 22 SER H H 22 8.650 8.650 8.402 0.248 18480 107 1 . 1 1 23 23 PHE N N 23 124.044 124.044 123.964 0.080 18480 108 1 . 1 1 23 23 PHE HA H 23 3.868 3.868 4.287 -0.419 18480 109 1 . 1 1 23 23 PHE C C 23 175.652 175.652 176.796 -1.144 18480 110 1 . 1 1 23 23 PHE CA C 23 62.118 62.118 60.627 1.491 18480 111 1 . 1 1 23 23 PHE CB C 23 38.250 38.250 39.404 -1.154 18480 112 1 . 1 1 23 23 PHE H H 23 8.394 8.394 7.712 0.682 18480 113 1 . 1 1 24 24 MET N N 24 117.794 117.794 117.332 0.462 18480 114 1 . 1 1 24 24 MET HA H 24 4.177 4.177 3.812 0.365 18480 115 1 . 1 1 24 24 MET C C 24 179.797 179.797 178.536 1.261 18480 116 1 . 1 1 24 24 MET CA C 24 56.498 56.498 56.905 -0.407 18480 117 1 . 1 1 24 24 MET CB C 24 31.903 31.903 31.248 0.655 18480 118 1 . 1 1 24 24 MET H H 24 7.781 7.781 8.259 -0.478 18480 119 1 . 1 1 25 25 GLN N N 25 119.477 119.477 118.124 1.353 18480 120 1 . 1 1 25 25 GLN HA H 25 3.964 3.964 4.054 -0.090 18480 121 1 . 1 1 25 25 GLN C C 25 179.870 179.870 178.078 1.792 18480 122 1 . 1 1 25 25 GLN CA C 25 58.748 58.748 58.407 0.342 18480 123 1 . 1 1 25 25 GLN CB C 25 28.384 28.384 28.200 0.184 18480 124 1 . 1 1 25 25 GLN H H 25 8.233 8.233 7.947 0.286 18480 125 1 . 1 1 26 26 GLY N N 26 107.052 107.052 106.950 0.102 18480 126 1 . 1 1 26 26 GLY C C 26 176.387 176.387 175.879 0.508 18480 127 1 . 1 1 26 26 GLY CA C 26 46.673 46.673 45.490 1.183 18480 128 1 . 1 1 26 26 GLY H H 26 7.936 7.936 7.699 0.237 18480 129 1 . 1 1 27 27 LEU N N 27 122.471 122.471 123.200 -0.729 18480 130 1 . 1 1 27 27 LEU HA H 27 3.718 3.718 3.958 -0.240 18480 131 1 . 1 1 27 27 LEU C C 27 178.564 178.564 178.246 0.318 18480 132 1 . 1 1 27 27 LEU CA C 27 57.193 57.193 56.212 0.981 18480 133 1 . 1 1 27 27 LEU CB C 27 41.693 41.693 41.425 0.268 18480 134 1 . 1 1 27 27 LEU H H 27 8.157 8.157 8.038 0.119 18480 135 1 . 1 1 28 28 SER N N 28 109.215 109.215 113.644 -4.429 18480 136 1 . 1 1 28 28 SER HA H 28 4.064 4.064 4.239 -0.175 18480 137 1 . 1 1 28 28 SER C C 28 174.421 174.421 175.236 -0.815 18480 138 1 . 1 1 28 28 SER CA C 28 61.444 61.444 60.337 1.107 18480 139 1 . 1 1 28 28 SER CB C 28 63.210 63.210 62.847 0.363 18480 140 1 . 1 1 28 28 SER H H 28 7.469 7.469 7.921 -0.452 18480 141 1 . 1 1 29 29 SER N N 29 114.308 114.308 115.251 -0.943 18480 142 1 . 1 1 29 29 SER HA H 29 4.667 4.667 4.568 0.099 18480 143 1 . 1 1 29 29 SER C C 29 173.970 173.970 173.792 0.178 18480 144 1 . 1 1 29 29 SER CA C 29 57.914 57.914 58.128 -0.214 18480 145 1 . 1 1 29 29 SER CB C 29 64.359 64.359 63.783 0.576 18480 146 1 . 1 1 29 29 SER H H 29 7.383 7.383 7.545 -0.162 18480 147 1 . 1 1 30 30 MET N N 30 122.604 122.604 122.437 0.167 18480 148 1 . 1 1 30 30 MET HA H 30 4.882 4.882 4.922 -0.040 18480 149 1 . 1 1 30 30 MET C C 30 174.195 174.195 175.173 -0.978 18480 150 1 . 1 1 30 30 MET CA C 30 53.753 53.753 51.924 1.829 18480 151 1 . 1 1 30 30 MET CB C 30 32.013 32.013 31.909 0.104 18480 152 1 . 1 1 30 30 MET H H 30 7.804 7.804 7.621 0.183 18480 153 1 . 1 1 31 31 PRO HA H 31 4.666 4.666 4.514 0.152 18480 154 1 . 1 1 31 31 PRO CA C 31 63.697 63.697 64.028 -0.331 18480 155 1 . 1 1 31 31 PRO CB C 31 32.953 32.953 32.376 0.577 18480 156 1 . 1 1 32 32 GLY N N 32 104.648 104.648 106.824 -2.176 18480 157 1 . 1 1 32 32 GLY C C 32 172.454 172.454 173.855 -1.401 18480 158 1 . 1 1 32 32 GLY CA C 32 45.421 45.421 45.446 -0.025 18480 159 1 . 1 1 32 32 GLY H H 32 8.363 8.363 8.202 0.161 18480 160 1 . 1 1 33 33 PHE N N 33 116.917 116.917 120.313 -3.396 18480 161 1 . 1 1 33 33 PHE HA H 33 5.287 5.287 4.865 0.422 18480 162 1 . 1 1 33 33 PHE C C 33 176.387 176.387 175.162 1.225 18480 163 1 . 1 1 33 33 PHE CA C 33 56.902 56.902 57.294 -0.392 18480 164 1 . 1 1 33 33 PHE CB C 33 42.290 42.290 41.371 0.919 18480 165 1 . 1 1 33 33 PHE H H 33 8.118 8.118 7.513 0.605 18480 166 1 . 1 1 34 34 THR N N 34 113.457 113.457 113.868 -0.411 18480 167 1 . 1 1 34 34 THR HA H 34 4.494 4.494 4.648 -0.154 18480 168 1 . 1 1 34 34 THR C C 34 175.066 175.066 175.332 -0.266 18480 169 1 . 1 1 34 34 THR CA C 34 59.946 59.946 59.658 0.288 18480 170 1 . 1 1 34 34 THR CB C 34 70.967 70.967 71.185 -0.218 18480 171 1 . 1 1 34 34 THR H H 34 8.727 8.727 8.208 0.519 18480 172 1 . 1 1 35 35 ALA N N 35 122.737 122.737 123.969 -1.232 18480 173 1 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.140 -0.055 18480 174 1 . 1 1 35 35 ALA C C 35 180.755 180.755 179.609 1.146 18480 175 1 . 1 1 35 35 ALA CA C 35 55.523 55.523 54.974 0.549 18480 176 1 . 1 1 35 35 ALA CB C 35 18.070 18.070 18.185 -0.115 18480 177 1 . 1 1 35 35 ALA H H 35 8.913 8.913 8.676 0.237 18480 178 1 . 1 1 36 36 SER N N 36 113.331 113.331 113.037 0.294 18480 179 1 . 1 1 36 36 SER HA H 36 4.244 4.244 4.291 -0.047 18480 180 1 . 1 1 36 36 SER C C 36 177.033 177.033 176.589 0.444 18480 181 1 . 1 1 36 36 SER CA C 36 61.453 61.453 60.944 0.509 18480 182 1 . 1 1 36 36 SER CB C 36 62.529 62.529 62.780 -0.251 18480 183 1 . 1 1 36 36 SER H H 36 8.347 8.347 8.281 0.066 18480 184 1 . 1 1 37 37 GLN N N 37 122.548 122.548 121.018 1.530 18480 185 1 . 1 1 37 37 GLN HA H 37 4.059 4.059 4.300 -0.241 18480 186 1 . 1 1 37 37 GLN C C 37 179.149 179.149 178.055 1.094 18480 187 1 . 1 1 37 37 GLN CA C 37 58.967 58.967 57.898 1.069 18480 188 1 . 1 1 37 37 GLN CB C 37 28.021 28.021 28.941 -0.919 18480 189 1 . 1 1 37 37 GLN H H 37 7.500 7.500 7.692 -0.192 18480 190 1 . 1 1 38 38 LEU N N 38 117.948 117.948 119.758 -1.810 18480 191 1 . 1 1 38 38 LEU HA H 38 3.892 3.892 4.075 -0.183 18480 192 1 . 1 1 38 38 LEU C C 38 179.675 179.675 178.693 0.982 18480 193 1 . 1 1 38 38 LEU CA C 38 57.959 57.959 57.458 0.501 18480 194 1 . 1 1 38 38 LEU CB C 38 41.493 41.493 41.393 0.100 18480 195 1 . 1 1 38 38 LEU H H 38 8.217 8.217 8.261 -0.044 18480 196 1 . 1 1 39 39 ASP N N 39 120.923 120.923 119.352 1.571 18480 197 1 . 1 1 39 39 ASP HA H 39 4.411 4.411 4.355 0.056 18480 198 1 . 1 1 39 39 ASP C C 39 179.224 179.224 177.726 1.498 18480 199 1 . 1 1 39 39 ASP CA C 39 57.606 57.606 57.805 -0.199 18480 200 1 . 1 1 39 39 ASP CB C 39 41.828 41.828 41.002 0.826 18480 201 1 . 1 1 39 39 ASP H H 39 8.192 8.192 8.044 0.148 18480 202 1 . 1 1 40 40 ASP N N 40 123.608 123.608 119.108 4.500 18480 203 1 . 1 1 40 40 ASP HA H 40 4.217 4.217 4.483 -0.266 18480 204 1 . 1 1 40 40 ASP C C 40 179.600 179.600 178.493 1.107 18480 205 1 . 1 1 40 40 ASP CA C 40 58.640 58.640 56.687 1.953 18480 206 1 . 1 1 40 40 ASP CB C 40 39.312 39.312 41.248 -1.936 18480 207 1 . 1 1 40 40 ASP H H 40 8.366 8.366 7.716 0.650 18480 208 1 . 1 1 41 41 MET N N 41 118.772 118.772 117.410 1.361 18480 209 1 . 1 1 41 41 MET HA H 41 3.638 3.638 4.321 -0.683 18480 210 1 . 1 1 41 41 MET C C 41 177.693 177.693 178.124 -0.431 18480 211 1 . 1 1 41 41 MET CA C 41 60.513 60.513 58.809 1.704 18480 212 1 . 1 1 41 41 MET CB C 41 34.320 34.320 32.404 1.916 18480 213 1 . 1 1 41 41 MET H H 41 8.423 8.423 7.867 0.556 18480 214 1 . 1 1 42 42 SER N N 42 115.040 115.040 115.842 -0.802 18480 215 1 . 1 1 42 42 SER HA H 42 4.168 4.168 4.272 -0.104 18480 216 1 . 1 1 42 42 SER C C 42 177.483 177.483 176.450 1.033 18480 217 1 . 1 1 42 42 SER CA C 42 61.923 61.923 61.636 0.287 18480 218 1 . 1 1 42 42 SER CB C 42 63.084 63.084 62.872 0.212 18480 219 1 . 1 1 42 42 SER H H 42 8.901 8.901 8.421 0.480 18480 220 1 . 1 1 43 43 THR N N 43 118.747 118.747 118.771 -0.024 18480 221 1 . 1 1 43 43 THR HA H 43 3.914 3.914 4.079 -0.165 18480 222 1 . 1 1 43 43 THR C C 43 177.258 177.258 176.613 0.645 18480 223 1 . 1 1 43 43 THR CA C 43 67.017 67.017 66.700 0.317 18480 224 1 . 1 1 43 43 THR CB C 43 69.500 69.500 68.611 0.889 18480 225 1 . 1 1 43 43 THR H H 43 8.479 8.479 7.640 0.839 18480 226 1 . 1 1 44 44 ILE N N 44 121.898 121.898 121.514 0.384 18480 227 1 . 1 1 44 44 ILE HA H 44 3.703 3.703 3.833 -0.130 18480 228 1 . 1 1 44 44 ILE C C 44 178.564 178.564 177.568 0.996 18480 229 1 . 1 1 44 44 ILE CA C 44 64.064 64.064 64.816 -0.751 18480 230 1 . 1 1 44 44 ILE CB C 44 36.209 36.209 37.451 -1.242 18480 231 1 . 1 1 44 44 ILE H H 44 7.807 7.807 7.588 0.219 18480 232 1 . 1 1 45 45 ALA N N 45 124.002 124.002 122.830 1.172 18480 233 1 . 1 1 45 45 ALA HA H 45 4.042 4.042 4.000 0.042 18480 234 1 . 1 1 45 45 ALA C C 45 179.404 179.404 179.447 -0.043 18480 235 1 . 1 1 45 45 ALA CA C 45 56.541 56.541 55.575 0.966 18480 236 1 . 1 1 45 45 ALA CB C 45 18.458 18.458 18.346 0.112 18480 237 1 . 1 1 45 45 ALA H H 45 9.145 9.145 8.210 0.935 18480 238 1 . 1 1 46 46 GLN N N 46 115.753 115.753 116.186 -0.433 18480 239 1 . 1 1 46 46 GLN HA H 46 4.023 4.023 4.087 -0.064 18480 240 1 . 1 1 46 46 GLN C C 46 179.014 179.014 178.348 0.666 18480 241 1 . 1 1 46 46 GLN CA C 46 58.953 58.953 58.183 0.770 18480 242 1 . 1 1 46 46 GLN CB C 46 28.400 28.400 28.328 0.072 18480 243 1 . 1 1 46 46 GLN H H 46 8.459 8.459 8.086 0.373 18480 244 1 . 1 1 47 47 SER N N 47 116.041 116.041 117.129 -1.088 18480 245 1 . 1 1 47 47 SER HA H 47 4.258 4.258 4.257 0.001 18480 246 1 . 1 1 47 47 SER C C 47 177.483 177.483 176.582 0.901 18480 247 1 . 1 1 47 47 SER CA C 47 62.328 62.328 61.498 0.830 18480 248 1 . 1 1 47 47 SER CB C 47 63.154 63.154 63.107 0.047 18480 249 1 . 1 1 47 47 SER H H 47 7.961 7.961 7.831 0.130 18480 250 1 . 1 1 48 48 MET N N 48 122.349 122.349 120.643 1.706 18480 251 1 . 1 1 48 48 MET HA H 48 4.376 4.376 4.304 0.072 18480 252 1 . 1 1 48 48 MET C C 48 177.798 177.798 178.453 -0.655 18480 253 1 . 1 1 48 48 MET CA C 48 58.198 58.198 57.756 0.442 18480 254 1 . 1 1 48 48 MET CB C 48 32.102 32.102 32.003 0.099 18480 255 1 . 1 1 48 48 MET H H 48 8.508 8.508 8.394 0.114 18480 256 1 . 1 1 49 49 VAL N N 49 122.061 122.061 116.681 5.380 18480 257 1 . 1 1 49 49 VAL HA H 49 3.442 3.442 3.646 -0.204 18480 258 1 . 1 1 49 49 VAL C C 49 177.910 177.910 177.857 0.053 18480 259 1 . 1 1 49 49 VAL CA C 49 67.923 67.923 66.456 1.467 18480 260 1 . 1 1 49 49 VAL CB C 49 31.759 31.759 30.815 0.944 18480 261 1 . 1 1 49 49 VAL H H 49 8.541 8.541 7.771 0.770 18480 262 1 . 1 1 50 50 GLN N N 50 118.465 118.465 119.595 -1.130 18480 263 1 . 1 1 50 50 GLN HA H 50 4.057 4.057 4.056 0.001 18480 264 1 . 1 1 50 50 GLN C C 50 179.449 179.449 178.557 0.892 18480 265 1 . 1 1 50 50 GLN CA C 50 59.025 59.025 58.978 0.047 18480 266 1 . 1 1 50 50 GLN CB C 50 28.007 28.007 28.336 -0.329 18480 267 1 . 1 1 50 50 GLN H H 50 8.165 8.165 8.055 0.110 18480 268 1 . 1 1 51 51 SER N N 51 117.659 117.659 117.114 0.545 18480 269 1 . 1 1 51 51 SER HA H 51 3.854 3.854 4.192 -0.338 18480 270 1 . 1 1 51 51 SER C C 51 176.374 176.374 176.687 -0.313 18480 271 1 . 1 1 51 51 SER CA C 51 62.642 62.642 62.172 0.470 18480 272 1 . 1 1 51 51 SER CB C 51 63.039 63.039 62.871 0.168 18480 273 1 . 1 1 51 51 SER H H 51 8.199 8.199 7.956 0.243 18480 274 1 . 1 1 52 52 ILE N N 52 122.930 122.930 122.511 0.419 18480 275 1 . 1 1 52 52 ILE HA H 52 3.380 3.380 3.606 -0.226 18480 276 1 . 1 1 52 52 ILE C C 52 178.684 178.684 177.805 0.879 18480 277 1 . 1 1 52 52 ILE CA C 52 66.315 66.315 65.263 1.052 18480 278 1 . 1 1 52 52 ILE CB C 52 37.548 37.548 37.721 -0.173 18480 279 1 . 1 1 52 52 ILE H H 52 8.068 8.068 8.082 -0.014 18480 280 1 . 1 1 53 53 GLN N N 53 118.774 118.774 118.877 -0.103 18480 281 1 . 1 1 53 53 GLN HA H 53 3.913 3.913 3.956 -0.043 18480 282 1 . 1 1 53 53 GLN C C 53 179.014 179.014 178.665 0.349 18480 283 1 . 1 1 53 53 GLN CA C 53 59.168 59.168 59.218 -0.050 18480 284 1 . 1 1 53 53 GLN CB C 53 28.017 28.017 28.388 -0.371 18480 285 1 . 1 1 53 53 GLN H H 53 8.459 8.459 8.230 0.229 18480 286 1 . 1 1 54 54 SER N N 54 115.452 115.452 117.014 -1.562 18480 287 1 . 1 1 54 54 SER HA H 54 4.294 4.294 4.208 0.086 18480 288 1 . 1 1 54 54 SER C C 54 176.822 176.822 176.605 0.217 18480 289 1 . 1 1 54 54 SER CA C 54 61.276 61.276 62.180 -0.904 18480 290 1 . 1 1 54 54 SER CB C 54 62.873 62.873 62.878 -0.005 18480 291 1 . 1 1 54 54 SER H H 54 8.330 8.330 8.077 0.253 18480 292 1 . 1 1 55 55 LEU N N 55 121.066 121.066 121.491 -0.425 18480 293 1 . 1 1 55 55 LEU HA H 55 3.981 3.981 4.067 -0.086 18480 294 1 . 1 1 55 55 LEU C C 55 179.434 179.434 178.439 0.995 18480 295 1 . 1 1 55 55 LEU CA C 55 57.976 57.976 57.634 0.342 18480 296 1 . 1 1 55 55 LEU CB C 55 42.606 42.606 41.515 1.091 18480 297 1 . 1 1 55 55 LEU H H 55 8.211 8.211 8.029 0.182 18480 298 1 . 1 1 56 56 ALA N N 56 122.497 122.497 122.328 0.169 18480 299 1 . 1 1 56 56 ALA HA H 56 4.149 4.149 4.128 0.021 18480 300 1 . 1 1 56 56 ALA C C 56 180.530 180.530 179.690 0.841 18480 301 1 . 1 1 56 56 ALA CA C 56 55.069 55.069 54.612 0.457 18480 302 1 . 1 1 56 56 ALA CB C 56 17.962 17.962 18.280 -0.318 18480 303 1 . 1 1 56 56 ALA H H 56 8.902 8.902 8.202 0.700 18480 304 1 . 1 1 57 57 ALA N N 57 122.922 122.922 120.314 2.608 18480 305 1 . 1 1 57 57 ALA HA H 57 4.157 4.157 4.096 0.061 18480 306 1 . 1 1 57 57 ALA C C 57 179.344 179.344 179.403 -0.059 18480 307 1 . 1 1 57 57 ALA CA C 57 54.998 54.998 54.313 0.685 18480 308 1 . 1 1 57 57 ALA CB C 57 18.029 18.029 18.551 -0.522 18480 309 1 . 1 1 57 57 ALA H H 57 8.140 8.140 7.983 0.157 18480 310 1 . 1 1 58 58 GLN N N 58 113.359 113.359 116.134 -2.775 18480 311 1 . 1 1 58 58 GLN HA H 58 4.362 4.362 4.318 0.044 18480 312 1 . 1 1 58 58 GLN C C 58 176.612 176.612 176.329 0.283 18480 313 1 . 1 1 58 58 GLN CA C 58 55.598 55.598 55.615 -0.017 18480 314 1 . 1 1 58 58 GLN CB C 58 31.075 31.075 29.434 1.641 18480 315 1 . 1 1 58 58 GLN H H 58 7.415 7.415 7.749 -0.334 18480 316 1 . 1 1 59 59 GLY N N 59 109.012 109.012 107.100 1.912 18480 317 1 . 1 1 59 59 GLY C C 59 174.856 174.856 174.766 0.090 18480 318 1 . 1 1 59 59 GLY CA C 59 46.761 46.761 45.452 1.309 18480 319 1 . 1 1 59 59 GLY H H 59 7.979 7.979 7.687 0.292 18480 320 1 . 1 1 60 60 ARG N N 60 115.906 115.906 117.745 -1.839 18480 321 1 . 1 1 60 60 ARG HA H 60 4.602 4.602 4.525 0.077 18480 322 1 . 1 1 60 60 ARG C C 60 175.847 175.847 175.743 0.104 18480 323 1 . 1 1 60 60 ARG CA C 60 55.808 55.808 54.678 1.130 18480 324 1 . 1 1 60 60 ARG CB C 60 32.406 32.406 30.538 1.868 18480 325 1 . 1 1 60 60 ARG H H 60 8.126 8.126 8.395 -0.268 18480 326 1 . 1 1 61 61 THR N N 61 107.985 107.985 114.295 -6.311 18480 327 1 . 1 1 61 61 THR HA H 61 4.125 4.125 4.374 -0.249 18480 328 1 . 1 1 61 61 THR C C 61 173.654 173.654 174.034 -0.380 18480 329 1 . 1 1 61 61 THR CA C 61 62.194 62.194 62.253 -0.059 18480 330 1 . 1 1 61 61 THR CB C 61 69.512 69.512 69.355 0.157 18480 331 1 . 1 1 61 61 THR H H 61 7.663 7.663 7.727 -0.064 18480 332 1 . 1 1 62 62 SER N N 62 113.733 113.733 119.449 -5.716 18480 333 1 . 1 1 62 62 SER HA H 62 4.973 4.973 4.884 0.089 18480 334 1 . 1 1 62 62 SER C C 62 173.207 173.207 173.370 -0.163 18480 335 1 . 1 1 62 62 SER CA C 62 56.343 56.343 55.659 0.684 18480 336 1 . 1 1 62 62 SER CB C 62 63.992 63.992 65.123 -1.131 18480 337 1 . 1 1 62 62 SER H H 62 7.057 7.057 8.009 -0.952 18480 338 1 . 1 1 63 63 PRO HA H 63 4.702 4.702 4.614 0.088 18480 339 1 . 1 1 63 63 PRO CA C 63 66.300 66.300 65.697 0.603 18480 340 1 . 1 1 63 63 PRO CB C 63 32.236 32.236 32.109 0.127 18480 341 1 . 1 1 64 64 ASN N N 64 114.886 114.886 116.661 -1.775 18480 342 1 . 1 1 64 64 ASN HA H 64 4.402 4.402 4.491 -0.089 18480 343 1 . 1 1 64 64 ASN CA C 64 56.251 56.251 56.073 0.178 18480 344 1 . 1 1 64 64 ASN CB C 64 38.037 38.037 37.678 0.359 18480 345 1 . 1 1 64 64 ASN H H 64 8.642 8.642 8.678 -0.036 18480 346 1 . 1 1 65 65 LYS N N 65 119.774 119.774 120.853 -1.079 18480 347 1 . 1 1 65 65 LYS HA H 65 3.806 3.806 4.096 -0.290 18480 348 1 . 1 1 65 65 LYS C C 65 178.999 178.999 178.573 0.426 18480 349 1 . 1 1 65 65 LYS CA C 65 60.878 60.878 58.734 2.144 18480 350 1 . 1 1 65 65 LYS CB C 65 33.237 33.237 32.227 1.010 18480 351 1 . 1 1 65 65 LYS H H 65 7.882 7.882 7.773 0.109 18480 352 1 . 1 1 66 66 LEU N N 66 117.686 117.686 118.954 -1.268 18480 353 1 . 1 1 66 66 LEU HA H 66 4.022 4.022 4.054 -0.032 18480 354 1 . 1 1 66 66 LEU C C 66 178.928 178.928 178.901 0.027 18480 355 1 . 1 1 66 66 LEU CA C 66 57.917 57.917 57.419 0.498 18480 356 1 . 1 1 66 66 LEU CB C 66 41.533 41.533 41.915 -0.382 18480 357 1 . 1 1 66 66 LEU H H 66 8.666 8.666 8.254 0.412 18480 358 1 . 1 1 67 67 GLN N N 67 124.469 124.469 119.606 4.863 18480 359 1 . 1 1 67 67 GLN HA H 67 3.292 3.292 3.517 -0.225 18480 360 1 . 1 1 67 67 GLN C C 67 178.789 178.789 177.881 0.908 18480 361 1 . 1 1 67 67 GLN CA C 67 59.891 59.891 58.557 1.334 18480 362 1 . 1 1 67 67 GLN CB C 67 28.159 28.159 28.203 -0.044 18480 363 1 . 1 1 67 67 GLN H H 67 8.997 8.997 8.023 0.973 18480 364 1 . 1 1 68 68 ALA N N 68 121.986 121.986 121.394 0.592 18480 365 1 . 1 1 68 68 ALA HA H 68 3.810 3.810 4.084 -0.274 18480 366 1 . 1 1 68 68 ALA C C 68 180.320 180.320 178.919 1.401 18480 367 1 . 1 1 68 68 ALA CA C 68 55.503 55.503 54.415 1.088 18480 368 1 . 1 1 68 68 ALA CB C 68 18.212 18.212 18.249 -0.037 18480 369 1 . 1 1 68 68 ALA H H 68 7.427 7.427 7.953 -0.526 18480 370 1 . 1 1 69 69 LEU N N 69 118.881 118.881 116.957 1.924 18480 371 1 . 1 1 69 69 LEU HA H 69 4.052 4.052 4.245 -0.193 18480 372 1 . 1 1 69 69 LEU C C 69 178.864 178.864 177.883 0.981 18480 373 1 . 1 1 69 69 LEU CA C 69 57.747 57.747 55.885 1.862 18480 374 1 . 1 1 69 69 LEU CB C 69 41.894 41.894 41.685 0.209 18480 375 1 . 1 1 69 69 LEU H H 69 8.143 8.143 7.518 0.625 18480 376 1 . 1 1 70 70 ASN N N 70 119.848 119.848 119.214 0.634 18480 377 1 . 1 1 70 70 ASN HA H 70 4.391 4.391 4.543 -0.152 18480 378 1 . 1 1 70 70 ASN C C 70 177.483 177.483 177.164 0.319 18480 379 1 . 1 1 70 70 ASN CA C 70 57.784 57.784 56.215 1.569 18480 380 1 . 1 1 70 70 ASN CB C 70 39.472 39.472 39.053 0.419 18480 381 1 . 1 1 70 70 ASN H H 70 8.456 8.456 7.923 0.533 18480 382 1 . 1 1 71 71 MET N N 71 118.843 118.843 118.730 0.113 18480 383 1 . 1 1 71 71 MET HA H 71 4.769 4.769 4.368 0.401 18480 384 1 . 1 1 71 71 MET C C 71 178.279 178.279 178.047 0.232 18480 385 1 . 1 1 71 71 MET CA C 71 56.415 56.415 57.258 -0.843 18480 386 1 . 1 1 71 71 MET CB C 71 29.788 29.788 31.680 -1.892 18480 387 1 . 1 1 71 71 MET H H 71 7.757 7.757 7.869 -0.112 18480 388 1 . 1 1 72 72 ALA N N 72 126.265 126.265 123.065 3.200 18480 389 1 . 1 1 72 72 ALA HA H 72 4.242 4.242 4.083 0.159 18480 390 1 . 1 1 72 72 ALA C C 72 179.059 179.059 179.347 -0.288 18480 391 1 . 1 1 72 72 ALA CA C 72 55.126 55.126 55.199 -0.073 18480 392 1 . 1 1 72 72 ALA CB C 72 18.923 18.923 18.074 0.849 18480 393 1 . 1 1 72 72 ALA H H 72 8.559 8.559 8.265 0.294 18480 394 1 . 1 1 73 73 PHE N N 73 118.887 118.887 119.944 -1.057 18480 395 1 . 1 1 73 73 PHE HA H 73 4.063 4.063 4.333 -0.270 18480 396 1 . 1 1 73 73 PHE C C 73 177.258 177.258 177.007 0.251 18480 397 1 . 1 1 73 73 PHE CA C 73 61.072 61.072 60.302 0.770 18480 398 1 . 1 1 73 73 PHE CB C 73 39.305 39.305 39.131 0.174 18480 399 1 . 1 1 73 73 PHE H H 73 8.337 8.337 7.840 0.497 18480 400 1 . 1 1 74 74 ALA N N 74 122.360 122.360 121.462 0.898 18480 401 1 . 1 1 74 74 ALA HA H 74 3.231 3.231 3.710 -0.479 18480 402 1 . 1 1 74 74 ALA C C 74 179.374 179.374 179.374 0.000 18480 403 1 . 1 1 74 74 ALA CA C 74 55.816 55.816 54.916 0.900 18480 404 1 . 1 1 74 74 ALA CB C 74 18.881 18.881 18.275 0.606 18480 405 1 . 1 1 74 74 ALA H H 74 8.540 8.540 8.098 0.442 18480 406 1 . 1 1 75 75 SER N N 75 112.265 112.265 113.809 -1.544 18480 407 1 . 1 1 75 75 SER HA H 75 3.858 3.858 4.225 -0.367 18480 408 1 . 1 1 75 75 SER CA C 75 62.251 62.251 61.765 0.486 18480 409 1 . 1 1 75 75 SER CB C 75 62.874 62.874 63.245 -0.371 18480 410 1 . 1 1 75 75 SER H H 75 8.859 8.859 8.431 0.428 18480 411 1 . 1 1 76 76 SER N N 76 118.859 118.859 118.708 0.151 18480 412 1 . 1 1 76 76 SER HA H 76 3.964 3.964 4.448 -0.484 18480 413 1 . 1 1 76 76 SER CA C 76 63.066 63.066 61.037 2.029 18480 414 1 . 1 1 76 76 SER CB C 76 63.377 63.377 62.939 0.438 18480 415 1 . 1 1 76 76 SER H H 76 8.065 8.065 7.706 0.359 18480 416 1 . 1 1 77 77 MET N N 77 120.030 120.030 119.826 0.204 18480 417 1 . 1 1 77 77 MET HA H 77 4.234 4.234 4.198 0.036 18480 418 1 . 1 1 77 77 MET C C 77 178.354 178.354 178.129 0.225 18480 419 1 . 1 1 77 77 MET CA C 77 57.167 57.167 56.383 0.784 18480 420 1 . 1 1 77 77 MET CB C 77 32.728 32.728 31.076 1.652 18480 421 1 . 1 1 77 77 MET H H 77 7.397 7.397 7.865 -0.468 18480 422 1 . 1 1 78 78 ALA N N 78 119.880 119.880 122.433 -2.553 18480 423 1 . 1 1 78 78 ALA HA H 78 3.903 3.903 4.131 -0.228 18480 424 1 . 1 1 78 78 ALA C C 78 178.354 178.354 179.219 -0.865 18480 425 1 . 1 1 78 78 ALA CA C 78 55.140 55.140 55.327 -0.187 18480 426 1 . 1 1 78 78 ALA CB C 78 19.101 19.101 18.340 0.761 18480 427 1 . 1 1 78 78 ALA H H 78 7.908 7.908 7.678 0.230 18480 428 1 . 1 1 79 79 GLU N N 79 117.907 117.907 119.268 -1.361 18480 429 1 . 1 1 79 79 GLU HA H 79 3.939 3.939 3.851 0.088 18480 430 1 . 1 1 79 79 GLU C C 79 178.894 178.894 178.854 0.039 18480 431 1 . 1 1 79 79 GLU CA C 79 59.700 59.700 59.121 0.579 18480 432 1 . 1 1 79 79 GLU CB C 79 29.647 29.647 29.073 0.574 18480 433 1 . 1 1 79 79 GLU H H 79 8.576 8.576 7.908 0.668 18480 434 1 . 1 1 80 80 ILE N N 80 121.918 121.918 119.800 2.118 18480 435 1 . 1 1 80 80 ILE HA H 80 3.602 3.602 3.707 -0.105 18480 436 1 . 1 1 80 80 ILE C C 80 179.014 179.014 177.961 1.053 18480 437 1 . 1 1 80 80 ILE CA C 80 65.131 65.131 64.780 0.351 18480 438 1 . 1 1 80 80 ILE CB C 80 37.625 37.625 37.713 -0.088 18480 439 1 . 1 1 80 80 ILE H H 80 8.065 8.065 7.926 0.139 18480 440 1 . 1 1 81 81 ALA N N 81 120.266 120.266 122.421 -2.155 18480 441 1 . 1 1 81 81 ALA HA H 81 4.148 4.148 4.203 -0.055 18480 442 1 . 1 1 81 81 ALA C C 81 177.258 177.258 179.254 -1.996 18480 443 1 . 1 1 81 81 ALA CA C 81 55.140 55.140 54.813 0.327 18480 444 1 . 1 1 81 81 ALA CB C 81 19.155 19.155 18.660 0.495 18480 445 1 . 1 1 81 81 ALA H H 81 8.169 8.169 7.815 0.354 18480 446 1 . 1 1 82 82 ALA N N 82 114.813 114.813 119.708 -4.895 18480 447 1 . 1 1 82 82 ALA HA H 82 4.051 4.051 4.072 -0.021 18480 448 1 . 1 1 82 82 ALA C C 82 177.693 177.693 179.326 -1.633 18480 449 1 . 1 1 82 82 ALA CA C 82 53.767 53.767 54.519 -0.752 18480 450 1 . 1 1 82 82 ALA CB C 82 20.999 20.999 18.483 2.516 18480 451 1 . 1 1 82 82 ALA H H 82 8.019 8.019 8.485 -0.466 18480 452 1 . 1 1 83 83 SER N N 83 110.140 110.140 113.789 -3.649 18480 453 1 . 1 1 83 83 SER HA H 83 4.415 4.415 4.350 0.065 18480 454 1 . 1 1 83 83 SER C C 83 174.856 174.856 175.143 -0.287 18480 455 1 . 1 1 83 83 SER CA C 83 59.772 59.772 60.556 -0.784 18480 456 1 . 1 1 83 83 SER CB C 83 64.952 64.952 63.892 1.060 18480 457 1 . 1 1 83 83 SER H H 83 7.823 7.823 7.797 0.026 18480 458 1 . 1 1 84 84 GLU N N 84 120.696 120.696 119.707 0.989 18480 459 1 . 1 1 84 84 GLU HA H 84 4.501 4.501 4.483 0.018 18480 460 1 . 1 1 84 84 GLU C C 84 176.597 176.597 175.036 1.561 18480 461 1 . 1 1 84 84 GLU CA C 84 56.596 56.596 55.585 1.011 18480 462 1 . 1 1 84 84 GLU CB C 84 28.537 28.537 31.866 -3.329 18480 463 1 . 1 1 84 84 GLU H H 84 7.666 7.666 7.810 -0.144 18480 464 1 . 1 1 85 85 GLU N N 85 124.951 124.951 120.115 4.836 18480 465 1 . 1 1 85 85 GLU HA H 85 4.262 4.262 4.390 -0.128 18480 466 1 . 1 1 85 85 GLU C C 85 177.258 177.258 175.868 1.390 18480 467 1 . 1 1 85 85 GLU CA C 85 56.845 56.845 55.404 1.441 18480 468 1 . 1 1 85 85 GLU CB C 85 30.803 30.803 31.872 -1.069 18480 469 1 . 1 1 85 85 GLU H H 85 8.735 8.735 8.405 0.330 18480 470 1 . 1 1 86 86 GLY N N 86 110.356 110.356 107.901 2.455 18480 471 1 . 1 1 86 86 GLY C C 86 174.856 174.856 174.227 0.629 18480 472 1 . 1 1 86 86 GLY CA C 86 44.390 44.390 45.209 -0.819 18480 473 1 . 1 1 86 86 GLY H H 86 8.609 8.609 8.406 0.203 18480 474 1 . 1 1 87 87 GLY N N 87 107.569 107.569 109.689 -2.120 18480 475 1 . 1 1 87 87 GLY C C 87 174.436 174.436 174.110 0.326 18480 476 1 . 1 1 87 87 GLY CA C 87 44.260 44.260 44.811 -0.551 18480 477 1 . 1 1 87 87 GLY H H 87 7.931 7.931 8.091 -0.160 18480 478 1 . 1 1 88 88 GLY N N 88 109.889 109.889 107.952 1.937 18480 479 1 . 1 1 88 88 GLY C C 88 173.325 173.325 173.246 0.078 18480 480 1 . 1 1 88 88 GLY CA C 88 45.166 45.166 44.363 0.803 18480 481 1 . 1 1 88 88 GLY H H 88 8.650 8.650 7.653 0.997 18480 482 1 . 1 1 89 89 SER N N 89 114.731 114.731 116.579 -1.848 18480 483 1 . 1 1 89 89 SER HA H 89 4.411 4.411 4.556 -0.145 18480 484 1 . 1 1 89 89 SER C C 89 175.066 175.066 176.028 -0.962 18480 485 1 . 1 1 89 89 SER CA C 89 57.363 57.363 57.045 0.318 18480 486 1 . 1 1 89 89 SER CB C 89 62.483 62.483 64.677 -2.194 18480 487 1 . 1 1 89 89 SER H H 89 8.640 8.640 8.034 0.605 18480 488 1 . 1 1 90 90 LEU N N 90 123.210 123.210 123.969 -0.759 18480 489 1 . 1 1 90 90 LEU HA H 90 3.975 3.975 4.056 -0.081 18480 490 1 . 1 1 90 90 LEU C C 90 179.434 179.434 178.277 1.157 18480 491 1 . 1 1 90 90 LEU CA C 90 58.343 58.343 58.246 0.097 18480 492 1 . 1 1 90 90 LEU CB C 90 41.364 41.364 41.689 -0.325 18480 493 1 . 1 1 90 90 LEU H H 90 8.976 8.976 8.755 0.221 18480 494 1 . 1 1 91 91 SER N N 91 115.789 115.789 112.789 3.000 18480 495 1 . 1 1 91 91 SER HA H 91 4.149 4.149 4.242 -0.093 18480 496 1 . 1 1 91 91 SER C C 91 177.325 177.325 176.248 1.077 18480 497 1 . 1 1 91 91 SER CA C 91 61.794 61.794 61.739 0.055 18480 498 1 . 1 1 91 91 SER CB C 91 62.276 62.276 62.377 -0.101 18480 499 1 . 1 1 91 91 SER H H 91 8.612 8.612 8.386 0.226 18480 500 1 . 1 1 92 92 THR N N 92 122.677 122.677 119.019 3.658 18480 501 1 . 1 1 92 92 THR HA H 92 3.919 3.919 4.085 -0.166 18480 502 1 . 1 1 92 92 THR C C 92 176.162 176.162 176.529 -0.367 18480 503 1 . 1 1 92 92 THR CA C 92 66.719 66.719 66.323 0.397 18480 504 1 . 1 1 92 92 THR CB C 92 68.236 68.236 68.537 -0.301 18480 505 1 . 1 1 92 92 THR H H 92 7.871 7.871 7.817 0.054 18480 506 1 . 1 1 93 93 LYS N N 93 119.820 119.820 120.273 -0.453 18480 507 1 . 1 1 93 93 LYS HA H 93 3.569 3.569 4.119 -0.550 18480 508 1 . 1 1 93 93 LYS CA C 93 60.652 60.652 59.171 1.481 18480 509 1 . 1 1 93 93 LYS CB C 93 33.728 33.728 31.616 2.112 18480 510 1 . 1 1 93 93 LYS H H 93 8.263 8.263 8.062 0.201 18480 511 1 . 1 1 94 94 THR N N 94 113.759 113.759 117.200 -3.441 18480 512 1 . 1 1 94 94 THR HA H 94 3.692 3.692 4.156 -0.464 18480 513 1 . 1 1 94 94 THR C C 94 177.033 177.033 176.464 0.569 18480 514 1 . 1 1 94 94 THR CA C 94 68.122 68.122 67.028 1.094 18480 515 1 . 1 1 94 94 THR CB C 94 68.342 68.342 68.585 -0.243 18480 516 1 . 1 1 94 94 THR H H 94 8.448 8.448 7.834 0.614 18480 517 1 . 1 1 95 95 SER N N 95 117.547 117.547 117.496 0.051 18480 518 1 . 1 1 95 95 SER HA H 95 4.262 4.262 4.255 0.007 18480 519 1 . 1 1 95 95 SER C C 95 177.828 177.828 176.733 1.095 18480 520 1 . 1 1 95 95 SER CA C 95 61.758 61.758 61.670 0.088 18480 521 1 . 1 1 95 95 SER CB C 95 62.667 62.667 62.853 -0.186 18480 522 1 . 1 1 95 95 SER H H 95 8.173 8.173 8.098 0.075 18480 523 1 . 1 1 96 96 SER N N 96 121.366 121.366 118.742 2.624 18480 524 1 . 1 1 96 96 SER HA H 96 4.035 4.035 4.277 -0.242 18480 525 1 . 1 1 96 96 SER CA C 96 62.467 62.467 62.268 0.199 18480 526 1 . 1 1 96 96 SER CB C 96 61.755 61.755 63.102 -1.347 18480 527 1 . 1 1 96 96 SER H H 96 8.830 8.830 7.947 0.883 18480 528 1 . 1 1 97 97 ILE N N 97 121.943 121.943 122.167 -0.224 18480 529 1 . 1 1 97 97 ILE HA H 97 3.809 3.809 3.870 -0.061 18480 530 1 . 1 1 97 97 ILE C C 97 177.693 177.693 177.773 -0.080 18480 531 1 . 1 1 97 97 ILE CA C 97 66.042 66.042 65.329 0.713 18480 532 1 . 1 1 97 97 ILE CB C 97 37.536 37.536 37.831 -0.295 18480 533 1 . 1 1 97 97 ILE H H 97 8.380 8.380 7.856 0.524 18480 534 1 . 1 1 98 98 ALA N N 98 122.507 122.507 122.610 -0.103 18480 535 1 . 1 1 98 98 ALA HA H 98 4.040 4.040 4.049 -0.009 18480 536 1 . 1 1 98 98 ALA C C 98 180.740 180.740 179.736 1.004 18480 537 1 . 1 1 98 98 ALA CA C 98 56.388 56.388 55.575 0.813 18480 538 1 . 1 1 98 98 ALA CB C 98 18.154 18.154 18.045 0.109 18480 539 1 . 1 1 98 98 ALA H H 98 8.624 8.624 8.168 0.456 18480 540 1 . 1 1 99 99 SER N N 99 115.850 115.850 114.714 1.136 18480 541 1 . 1 1 99 99 SER HA H 99 4.325 4.325 4.275 0.050 18480 542 1 . 1 1 99 99 SER C C 99 177.168 177.168 176.651 0.517 18480 543 1 . 1 1 99 99 SER CA C 99 61.867 61.867 61.389 0.478 18480 544 1 . 1 1 99 99 SER CB C 99 63.200 63.200 63.021 0.179 18480 545 1 . 1 1 99 99 SER H H 99 8.667 8.667 8.293 0.374 18480 546 1 . 1 1 100 100 ALA N N 100 124.410 124.410 124.650 -0.239 18480 547 1 . 1 1 100 100 ALA HA H 100 4.142 4.142 4.366 -0.224 18480 548 1 . 1 1 100 100 ALA CA C 100 55.388 55.388 54.770 0.618 18480 549 1 . 1 1 100 100 ALA CB C 100 18.627 18.627 18.400 0.227 18480 550 1 . 1 1 100 100 ALA H H 100 8.744 8.744 7.844 0.900 18480 551 1 . 1 1 101 101 MET N N 101 119.346 119.346 118.253 1.093 18480 552 1 . 1 1 101 101 MET HA H 101 4.368 4.368 4.319 0.049 18480 553 1 . 1 1 101 101 MET CA C 101 59.163 59.163 57.951 1.212 18480 554 1 . 1 1 101 101 MET CB C 101 33.233 33.233 32.216 1.017 18480 555 1 . 1 1 101 101 MET H H 101 9.152 9.152 8.857 0.295 18480 556 1 . 1 1 102 102 SER N N 102 117.124 117.124 115.142 1.982 18480 557 1 . 1 1 102 102 SER HA H 102 4.382 4.382 4.409 -0.027 18480 558 1 . 1 1 102 102 SER CA C 102 63.424 63.424 62.059 1.365 18480 559 1 . 1 1 102 102 SER CB C 102 62.639 62.639 62.869 -0.230 18480 560 1 . 1 1 102 102 SER H H 102 8.766 8.766 8.329 0.437 18480 561 1 . 1 1 103 103 ASN N N 103 118.601 118.601 119.690 -1.089 18480 562 1 . 1 1 103 103 ASN HA H 103 4.466 4.466 4.576 -0.110 18480 563 1 . 1 1 103 103 ASN CA C 103 56.639 56.639 55.749 0.890 18480 564 1 . 1 1 103 103 ASN CB C 103 38.307 38.307 38.504 -0.198 18480 565 1 . 1 1 103 103 ASN H H 103 8.298 8.298 7.994 0.304 18480 566 1 . 1 1 104 104 ALA N N 104 122.821 122.821 122.303 0.518 18480 567 1 . 1 1 104 104 ALA HA H 104 4.239 4.239 3.990 0.249 18480 568 1 . 1 1 104 104 ALA C C 104 181.701 181.701 179.521 2.180 18480 569 1 . 1 1 104 104 ALA CA C 104 55.272 55.272 54.660 0.612 18480 570 1 . 1 1 104 104 ALA CB C 104 18.174 18.174 18.030 0.144 18480 571 1 . 1 1 104 104 ALA H H 104 7.969 7.969 7.713 0.256 18480 572 1 . 1 1 105 105 PHE N N 105 119.585 119.585 117.592 1.993 18480 573 1 . 1 1 105 105 PHE HA H 105 4.208 4.208 4.508 -0.300 18480 574 1 . 1 1 105 105 PHE C C 105 179.224 179.224 178.096 1.128 18480 575 1 . 1 1 105 105 PHE CA C 105 64.122 64.122 61.542 2.580 18480 576 1 . 1 1 105 105 PHE CB C 105 39.567 39.567 38.989 0.578 18480 577 1 . 1 1 105 105 PHE H H 105 8.647 8.647 7.919 0.728 18480 578 1 . 1 1 106 106 LEU N N 106 121.925 121.925 117.290 4.635 18480 579 1 . 1 1 106 106 LEU HA H 106 3.699 3.699 4.103 -0.404 18480 580 1 . 1 1 106 106 LEU C C 106 179.074 179.074 179.069 0.005 18480 581 1 . 1 1 106 106 LEU CA C 106 59.055 59.055 57.277 1.778 18480 582 1 . 1 1 106 106 LEU CB C 106 41.462 41.462 41.175 0.287 18480 583 1 . 1 1 106 106 LEU H H 106 8.450 8.450 7.635 0.815 18480 584 1 . 1 1 107 107 GLN N N 107 115.214 115.214 117.806 -2.592 18480 585 1 . 1 1 107 107 GLN HA H 107 4.102 4.102 4.295 -0.193 18480 586 1 . 1 1 107 107 GLN C C 107 176.822 176.822 177.493 -0.671 18480 587 1 . 1 1 107 107 GLN CA C 107 57.586 57.586 57.882 -0.296 18480 588 1 . 1 1 107 107 GLN CB C 107 29.279 29.279 28.797 0.482 18480 589 1 . 1 1 107 107 GLN H H 107 8.444 8.444 7.843 0.601 18480 590 1 . 1 1 108 108 THR N N 108 109.014 109.014 112.947 -3.933 18480 591 1 . 1 1 108 108 THR HA H 108 4.369 4.369 4.315 0.054 18480 592 1 . 1 1 108 108 THR C C 108 175.952 175.952 176.165 -0.213 18480 593 1 . 1 1 108 108 THR CA C 108 63.658 63.658 64.220 -0.562 18480 594 1 . 1 1 108 108 THR CB C 108 70.179 70.179 69.053 1.126 18480 595 1 . 1 1 108 108 THR H H 108 7.631 7.631 7.821 -0.190 18480 596 1 . 1 1 109 109 THR N N 109 110.844 110.844 113.628 -2.784 18480 597 1 . 1 1 109 109 THR HA H 109 4.477 4.477 4.339 0.138 18480 598 1 . 1 1 109 109 THR C C 109 176.162 176.162 176.004 0.158 18480 599 1 . 1 1 109 109 THR CA C 109 61.728 61.728 62.656 -0.928 18480 600 1 . 1 1 109 109 THR CB C 109 70.659 70.659 70.047 0.612 18480 601 1 . 1 1 109 109 THR H H 109 8.623 8.623 7.808 0.815 18480 602 1 . 1 1 110 110 GLY N N 110 109.549 109.549 109.830 -0.281 18480 603 1 . 1 1 110 110 GLY C C 110 172.889 172.889 173.265 -0.376 18480 604 1 . 1 1 110 110 GLY CA C 110 45.543 45.543 44.938 0.605 18480 605 1 . 1 1 110 110 GLY H H 110 8.113 8.113 8.368 -0.255 18480 606 1 . 1 1 111 111 VAL N N 111 118.903 118.903 119.120 -0.216 18480 607 1 . 1 1 111 111 VAL HA H 111 4.256 4.256 4.477 -0.221 18480 608 1 . 1 1 111 111 VAL C C 111 174.421 174.421 174.003 0.418 18480 609 1 . 1 1 111 111 VAL CA C 111 60.761 60.761 60.457 0.304 18480 610 1 . 1 1 111 111 VAL CB C 111 35.510 35.510 35.026 0.484 18480 611 1 . 1 1 111 111 VAL H H 111 7.724 7.724 7.589 0.135 18480 612 1 . 1 1 112 112 VAL N N 112 124.398 124.398 124.323 0.075 18480 613 1 . 1 1 112 112 VAL HA H 112 3.233 3.233 4.094 -0.861 18480 614 1 . 1 1 112 112 VAL C C 112 174.646 174.646 174.532 0.113 18480 615 1 . 1 1 112 112 VAL CA C 112 63.735 63.735 60.506 3.229 18480 616 1 . 1 1 112 112 VAL CB C 112 32.806 32.806 33.764 -0.958 18480 617 1 . 1 1 112 112 VAL H H 112 8.627 8.627 8.313 0.314 18480 618 1 . 1 1 113 113 ASN HA H 113 4.569 4.569 4.593 -0.024 18480 619 1 . 1 1 113 113 ASN CA C 113 51.207 51.207 53.058 -1.852 18480 620 1 . 1 1 113 113 ASN CB C 113 38.381 38.381 38.901 -0.520 18480 621 1 . 1 1 114 114 GLN N N 114 125.364 125.364 123.789 1.575 18480 622 1 . 1 1 114 114 GLN HA H 114 3.940 3.940 4.190 -0.250 18480 623 1 . 1 1 114 114 GLN C C 114 174.811 174.811 175.071 -0.260 18480 624 1 . 1 1 114 114 GLN CA C 114 59.636 59.636 60.179 -0.543 18480 625 1 . 1 1 114 114 GLN CB C 114 26.092 26.092 27.190 -1.099 18480 626 1 . 1 1 114 114 GLN H H 114 8.731 8.731 8.589 0.142 18480 627 1 . 1 1 115 115 PRO HA H 115 4.268 4.268 4.274 -0.006 18480 628 1 . 1 1 115 115 PRO CA C 115 66.661 66.661 65.529 1.132 18480 629 1 . 1 1 115 115 PRO CB C 115 31.197 31.197 31.332 -0.134 18480 630 1 . 1 1 116 116 PHE N N 116 118.102 118.102 118.771 -0.669 18480 631 1 . 1 1 116 116 PHE HA H 116 4.261 4.261 4.231 0.030 18480 632 1 . 1 1 116 116 PHE C C 116 176.597 176.597 177.339 -0.742 18480 633 1 . 1 1 116 116 PHE CA C 116 61.290 61.290 61.597 -0.307 18480 634 1 . 1 1 116 116 PHE CB C 116 39.580 39.580 39.412 0.168 18480 635 1 . 1 1 116 116 PHE H H 116 7.712 7.712 8.121 -0.409 18480 636 1 . 1 1 117 117 ILE N N 117 118.950 118.950 118.061 0.889 18480 637 1 . 1 1 117 117 ILE HA H 117 3.654 3.654 3.836 -0.182 18480 638 1 . 1 1 117 117 ILE C C 117 178.789 178.789 178.166 0.623 18480 639 1 . 1 1 117 117 ILE CA C 117 64.640 64.640 63.665 0.975 18480 640 1 . 1 1 117 117 ILE CB C 117 36.514 36.514 36.674 -0.160 18480 641 1 . 1 1 117 117 ILE H H 117 7.747 7.747 7.826 -0.079 18480 642 1 . 1 1 118 118 ASN N N 118 119.204 119.204 118.351 0.853 18480 643 1 . 1 1 118 118 ASN HA H 118 4.367 4.367 4.498 -0.131 18480 644 1 . 1 1 118 118 ASN C C 118 177.033 177.033 177.930 -0.897 18480 645 1 . 1 1 118 118 ASN CA C 118 55.781 55.781 56.145 -0.364 18480 646 1 . 1 1 118 118 ASN CB C 118 37.485 37.485 38.277 -0.792 18480 647 1 . 1 1 118 118 ASN H H 118 8.847 8.847 8.017 0.830 18480 648 1 . 1 1 119 119 GLU N N 119 120.684 120.684 119.826 0.858 18480 649 1 . 1 1 119 119 GLU HA H 119 3.965 3.965 4.090 -0.125 18480 650 1 . 1 1 119 119 GLU C C 119 178.564 178.564 178.483 0.081 18480 651 1 . 1 1 119 119 GLU CA C 119 59.114 59.114 58.501 0.613 18480 652 1 . 1 1 119 119 GLU CB C 119 28.518 28.518 29.066 -0.548 18480 653 1 . 1 1 119 119 GLU H H 119 8.081 8.081 7.886 0.195 18480 654 1 . 1 1 120 120 ILE N N 120 118.037 118.037 118.790 -0.753 18480 655 1 . 1 1 120 120 ILE HA H 120 3.572 3.572 3.776 -0.204 18480 656 1 . 1 1 120 120 ILE C C 120 178.279 178.279 178.036 0.243 18480 657 1 . 1 1 120 120 ILE CA C 120 63.098 63.098 63.892 -0.794 18480 658 1 . 1 1 120 120 ILE CB C 120 35.252 35.252 36.455 -1.203 18480 659 1 . 1 1 120 120 ILE H H 120 7.948 7.948 7.572 0.376 18480 660 1 . 1 1 121 121 THR N N 121 113.671 113.671 111.993 1.678 18480 661 1 . 1 1 121 121 THR HA H 121 3.804 3.804 4.008 -0.204 18480 662 1 . 1 1 121 121 THR C C 121 177.258 177.258 176.686 0.572 18480 663 1 . 1 1 121 121 THR CA C 121 66.771 66.771 65.955 0.816 18480 664 1 . 1 1 121 121 THR CB C 121 68.293 68.293 68.335 -0.041 18480 665 1 . 1 1 121 121 THR H H 121 8.345 8.345 7.680 0.665 18480 666 1 . 1 1 122 122 GLN N N 122 121.849 121.849 120.933 0.916 18480 667 1 . 1 1 122 122 GLN HA H 122 3.999 3.999 4.087 -0.088 18480 668 1 . 1 1 122 122 GLN C C 122 179.014 179.014 178.112 0.902 18480 669 1 . 1 1 122 122 GLN CA C 122 58.766 58.766 58.421 0.345 18480 670 1 . 1 1 122 122 GLN CB C 122 28.432 28.432 28.404 0.028 18480 671 1 . 1 1 122 122 GLN H H 122 7.589 7.589 7.516 0.073 18480 672 1 . 1 1 123 123 LEU N N 123 120.855 120.855 120.171 0.684 18480 673 1 . 1 1 123 123 LEU HA H 123 3.418 3.418 3.722 -0.304 18480 674 1 . 1 1 123 123 LEU C C 123 178.354 178.354 178.752 -0.398 18480 675 1 . 1 1 123 123 LEU CA C 123 57.816 57.816 57.783 0.033 18480 676 1 . 1 1 123 123 LEU CB C 123 40.851 40.851 41.645 -0.794 18480 677 1 . 1 1 123 123 LEU H H 123 8.081 8.081 7.586 0.495 18480 678 1 . 1 1 124 124 VAL N N 124 115.864 115.864 117.515 -1.651 18480 679 1 . 1 1 124 124 VAL HA H 124 3.350 3.350 3.791 -0.441 18480 680 1 . 1 1 124 124 VAL C C 124 177.453 177.453 178.370 -0.917 18480 681 1 . 1 1 124 124 VAL CA C 124 67.473 67.473 66.086 1.387 18480 682 1 . 1 1 124 124 VAL CB C 124 31.606 31.606 31.280 0.326 18480 683 1 . 1 1 124 124 VAL H H 124 7.574 7.574 7.771 -0.196 18480 684 1 . 1 1 125 125 SER N N 125 110.334 110.334 114.106 -3.772 18480 685 1 . 1 1 125 125 SER HA H 125 4.054 4.054 4.248 -0.194 18480 686 1 . 1 1 125 125 SER C C 125 175.937 175.937 175.960 -0.023 18480 687 1 . 1 1 125 125 SER CA C 125 61.763 61.763 60.914 0.849 18480 688 1 . 1 1 125 125 SER CB C 125 62.864 62.864 63.130 -0.266 18480 689 1 . 1 1 125 125 SER H H 125 6.950 6.950 7.510 -0.560 18480 690 1 . 1 1 126 126 MET N N 126 121.750 121.750 118.809 2.940 18480 691 1 . 1 1 126 126 MET HA H 126 3.951 3.951 4.266 -0.315 18480 692 1 . 1 1 126 126 MET C C 126 179.254 179.254 178.118 1.136 18480 693 1 . 1 1 126 126 MET CA C 126 59.246 59.246 58.502 0.744 18480 694 1 . 1 1 126 126 MET CB C 126 33.265 33.265 32.480 0.785 18480 695 1 . 1 1 126 126 MET H H 126 8.113 8.113 7.861 0.252 18480 696 1 . 1 1 127 127 PHE N N 127 118.909 118.909 118.480 0.429 18480 697 1 . 1 1 127 127 PHE HA H 127 4.643 4.643 4.293 0.350 18480 698 1 . 1 1 127 127 PHE C C 127 178.128 178.128 177.312 0.816 18480 699 1 . 1 1 127 127 PHE CA C 127 56.759 56.759 59.973 -3.214 18480 700 1 . 1 1 127 127 PHE CB C 127 37.061 37.061 37.469 -0.408 18480 701 1 . 1 1 127 127 PHE H H 127 8.791 8.791 7.870 0.921 18480 702 1 . 1 1 128 128 ALA N N 128 122.620 122.620 121.275 1.345 18480 703 1 . 1 1 128 128 ALA HA H 128 4.176 4.176 4.197 -0.021 18480 704 1 . 1 1 128 128 ALA C C 128 178.789 178.789 178.811 -0.022 18480 705 1 . 1 1 128 128 ALA CA C 128 54.665 54.665 54.526 0.139 18480 706 1 . 1 1 128 128 ALA CB C 128 19.165 19.165 18.493 0.672 18480 707 1 . 1 1 128 128 ALA H H 128 8.235 8.235 7.669 0.566 18480 708 1 . 1 1 129 129 GLN N N 129 116.507 116.507 117.123 -0.616 18480 709 1 . 1 1 129 129 GLN HA H 129 4.225 4.225 4.207 0.017 18480 710 1 . 1 1 129 129 GLN C C 129 177.258 177.258 177.936 -0.678 18480 711 1 . 1 1 129 129 GLN CA C 129 57.018 57.018 57.569 -0.550 18480 712 1 . 1 1 129 129 GLN CB C 129 29.125 29.125 28.717 0.408 18480 713 1 . 1 1 129 129 GLN H H 129 7.715 7.715 7.666 0.049 18480 714 1 . 1 1 130 130 ALA N N 130 122.020 122.020 121.249 0.771 18480 715 1 . 1 1 130 130 ALA HA H 130 4.220 4.220 4.188 0.032 18480 716 1 . 1 1 130 130 ALA C C 130 178.564 178.564 178.726 -0.162 18480 717 1 . 1 1 130 130 ALA CA C 130 53.806 53.806 53.378 0.428 18480 718 1 . 1 1 130 130 ALA CB C 130 18.960 18.960 19.051 -0.091 18480 719 1 . 1 1 130 130 ALA H H 130 7.775 7.775 7.539 0.236 18480 720 1 . 1 1 131 131 GLY N N 131 106.006 106.006 106.289 -0.283 18480 721 1 . 1 1 131 131 GLY C C 131 173.970 173.970 175.180 -1.210 18480 722 1 . 1 1 131 131 GLY CA C 131 46.113 46.113 46.164 -0.051 18480 723 1 . 1 1 131 131 GLY H H 131 8.110 8.110 8.207 -0.097 18480 724 1 . 1 1 132 132 MET N N 132 118.637 118.637 116.318 2.319 18480 725 1 . 1 1 132 132 MET HA H 132 4.401 4.401 4.479 -0.078 18480 726 1 . 1 1 132 132 MET C C 132 175.952 175.952 175.978 -0.026 18480 727 1 . 1 1 132 132 MET CA C 132 56.375 56.375 55.470 0.905 18480 728 1 . 1 1 132 132 MET CB C 132 32.939 32.939 30.821 2.118 18480 729 1 . 1 1 132 132 MET H H 132 7.945 7.945 8.203 -0.258 18480 730 1 . 1 1 133 133 ASN N N 133 117.955 117.955 117.044 0.911 18480 731 1 . 1 1 133 133 ASN HA H 133 4.771 4.771 4.586 0.185 18480 732 1 . 1 1 133 133 ASN C C 133 174.646 174.646 175.758 -1.112 18480 733 1 . 1 1 133 133 ASN CA C 133 53.488 53.488 54.136 -0.649 18480 734 1 . 1 1 133 133 ASN CB C 133 39.376 39.376 38.152 1.224 18480 735 1 . 1 1 133 133 ASN H H 133 8.283 8.283 7.900 0.383 18480 736 1 . 1 1 134 134 ASP N N 134 120.891 120.891 121.163 -0.272 18480 737 1 . 1 1 134 134 ASP HA H 134 4.619 4.619 4.575 0.044 18480 738 1 . 1 1 134 134 ASP C C 134 176.162 176.162 176.770 -0.608 18480 739 1 . 1 1 134 134 ASP CA C 134 54.401 54.401 55.302 -0.901 18480 740 1 . 1 1 134 134 ASP CB C 134 41.173 41.173 41.949 -0.776 18480 741 1 . 1 1 134 134 ASP H H 134 8.192 8.192 7.727 0.465 18480 742 1 . 1 1 135 135 VAL N N 135 119.737 119.737 116.383 3.354 18480 743 1 . 1 1 135 135 VAL HA H 135 4.180 4.180 3.667 0.513 18480 744 1 . 1 1 135 135 VAL C C 135 176.162 176.162 175.377 0.785 18480 745 1 . 1 1 135 135 VAL CA C 135 62.146 62.146 63.440 -1.294 18480 746 1 . 1 1 135 135 VAL CB C 135 32.730 32.730 29.863 2.867 18480 747 1 . 1 1 135 135 VAL H H 135 8.056 8.056 7.966 0.090 18480 748 1 . 1 1 136 136 SER N N 136 119.689 119.689 113.148 6.541 18480 749 1 . 1 1 136 136 SER HA H 136 4.427 4.427 4.157 0.270 18480 750 1 . 1 1 136 136 SER C C 136 173.325 173.325 174.331 -1.006 18480 751 1 . 1 1 136 136 SER CA C 136 58.351 58.351 59.365 -1.014 18480 752 1 . 1 1 136 136 SER CB C 136 64.031 64.031 61.594 2.437 18480 753 1 . 1 1 136 136 SER H H 136 8.355 8.355 8.604 -0.249 18480 stop_ save_