data_19579 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19579 _Entry.PDB_ID 2MFZ 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 19579 _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 -4 -4 SER CB C -4 63.876 63.876 63.357 0.519 19579 2 1 1 . 1 1 -2 -2 ASN N N -2 118.808 118.808 116.882 1.926 19579 3 1 1 . 1 1 -2 -2 ASN C C -2 175.184 175.184 175.062 0.122 19579 4 1 1 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 54.694 -1.295 19579 5 1 1 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.741 -0.434 19579 6 1 1 . 1 1 2 2 THR N N 2 116.876 116.876 116.925 -0.049 19579 7 1 1 . 1 1 2 2 THR HA H 2 4.348 4.348 4.462 -0.114 19579 8 1 1 . 1 1 2 2 THR C C 2 174.600 174.600 174.705 -0.105 19579 9 1 1 . 1 1 2 2 THR CA C 2 61.785 61.785 62.108 -0.323 19579 10 1 1 . 1 1 2 2 THR CB C 2 69.800 69.800 68.311 1.490 19579 11 1 1 . 1 1 2 2 THR H H 2 8.176 8.176 8.324 -0.148 19579 12 1 1 . 1 1 3 3 SER N N 3 117.968 117.968 120.855 -2.887 19579 13 1 1 . 1 1 3 3 SER C C 3 174.732 174.732 174.661 0.071 19579 14 1 1 . 1 1 3 3 SER CA C 3 58.585 58.585 58.165 0.420 19579 15 1 1 . 1 1 3 3 SER H H 3 8.248 8.248 8.149 0.099 19579 16 1 1 . 1 1 5 5 GLY N N 5 108.381 108.381 109.011 -0.630 19579 17 1 1 . 1 1 5 5 GLY C C 5 173.728 173.728 173.144 0.584 19579 18 1 1 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.128 0.087 19579 19 1 1 . 1 1 5 5 GLY H H 5 8.134 8.134 7.815 0.319 19579 20 1 1 . 1 1 6 6 TYR N N 6 120.011 120.011 121.283 -1.272 19579 21 1 1 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.995 -0.531 19579 22 1 1 . 1 1 6 6 TYR C C 6 176.232 176.232 176.221 0.011 19579 23 1 1 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.936 0.239 19579 24 1 1 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.387 -0.623 19579 25 1 1 . 1 1 6 6 TYR H H 6 8.096 8.096 8.510 -0.414 19579 26 1 1 . 1 1 7 7 GLY N N 7 110.530 110.530 111.235 -0.705 19579 27 1 1 . 1 1 7 7 GLY C C 7 173.772 173.772 172.424 1.348 19579 28 1 1 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.638 0.584 19579 29 1 1 . 1 1 7 7 GLY H H 7 8.283 8.283 8.307 -0.024 19579 30 1 1 . 1 1 8 8 TYR N N 8 120.132 120.132 118.212 1.920 19579 31 1 1 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.878 -0.395 19579 32 1 1 . 1 1 8 8 TYR C C 8 176.420 176.420 175.878 0.542 19579 33 1 1 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.287 2.047 19579 34 1 1 . 1 1 8 8 TYR CB C 8 38.745 38.745 38.957 -0.212 19579 35 1 1 . 1 1 8 8 TYR H H 8 7.987 7.987 8.173 -0.186 19579 36 1 1 . 1 1 9 9 GLY N N 9 110.831 110.831 116.133 -5.302 19579 37 1 1 . 1 1 9 9 GLY C C 9 174.335 174.335 173.599 0.736 19579 38 1 1 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.325 1.124 19579 39 1 1 . 1 1 9 9 GLY H H 9 8.400 8.400 8.769 -0.369 19579 40 1 1 . 1 1 10 10 THR N N 10 113.216 113.216 116.408 -3.192 19579 41 1 1 . 1 1 10 10 THR HA H 10 4.366 4.366 4.224 0.142 19579 42 1 1 . 1 1 10 10 THR C C 10 174.721 174.721 175.130 -0.409 19579 43 1 1 . 1 1 10 10 THR CA C 10 61.829 61.829 62.589 -0.760 19579 44 1 1 . 1 1 10 10 THR CB C 10 69.881 69.881 68.828 1.054 19579 45 1 1 . 1 1 10 10 THR H H 10 8.012 8.012 8.220 -0.208 19579 46 1 1 . 1 1 11 11 SER N N 11 117.904 117.904 123.703 -5.799 19579 47 1 1 . 1 1 11 11 SER HA H 11 4.414 4.414 4.657 -0.243 19579 48 1 1 . 1 1 11 11 SER C C 11 174.335 174.335 174.075 0.260 19579 49 1 1 . 1 1 11 11 SER CA C 11 58.363 58.363 57.369 0.994 19579 50 1 1 . 1 1 11 11 SER CB C 11 63.911 63.911 62.762 1.149 19579 51 1 1 . 1 1 11 11 SER H H 11 8.342 8.342 8.495 -0.153 19579 52 1 1 . 1 1 12 12 ALA N N 12 126.003 126.003 127.371 -1.368 19579 53 1 1 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.349 -0.111 19579 54 1 1 . 1 1 12 12 ALA C C 12 177.468 177.468 176.565 0.903 19579 55 1 1 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.260 0.512 19579 56 1 1 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.258 -0.170 19579 57 1 1 . 1 1 12 12 ALA H H 12 8.274 8.274 8.736 -0.462 19579 58 1 1 . 1 1 13 13 ALA N N 13 122.954 122.954 122.108 0.846 19579 59 1 1 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.559 -0.334 19579 60 1 1 . 1 1 13 13 ALA C C 13 178.207 178.207 176.122 2.085 19579 61 1 1 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.688 -0.110 19579 62 1 1 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.944 -0.653 19579 63 1 1 . 1 1 13 13 ALA H H 13 8.121 8.121 7.605 0.516 19579 64 1 1 . 1 1 14 14 ALA N N 14 123.733 123.733 124.667 -0.934 19579 65 1 1 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.385 -0.128 19579 66 1 1 . 1 1 14 14 ALA C C 14 178.227 178.227 176.297 1.930 19579 67 1 1 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.671 0.078 19579 68 1 1 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.876 -0.600 19579 69 1 1 . 1 1 14 14 ALA H H 14 8.262 8.262 8.076 0.186 19579 70 1 1 . 1 1 15 15 GLY N N 15 108.014 108.014 110.413 -2.399 19579 71 1 1 . 1 1 15 15 GLY C C 15 173.849 173.849 173.435 0.414 19579 72 1 1 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.287 0.024 19579 73 1 1 . 1 1 15 15 GLY H H 15 8.239 8.239 8.358 -0.119 19579 74 1 1 . 1 1 16 16 ALA N N 16 123.529 123.529 126.459 -2.930 19579 75 1 1 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.663 -0.365 19579 76 1 1 . 1 1 16 16 ALA C C 16 178.108 178.108 175.938 2.170 19579 77 1 1 . 1 1 16 16 ALA CA C 16 52.711 52.711 52.342 0.369 19579 78 1 1 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.332 -2.016 19579 79 1 1 . 1 1 16 16 ALA H H 16 8.102 8.102 7.778 0.324 19579 80 1 1 . 1 1 17 17 GLY N N 17 108.099 108.099 109.521 -1.422 19579 81 1 1 . 1 1 17 17 GLY C C 17 174.081 174.081 173.548 0.533 19579 82 1 1 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.605 -0.370 19579 83 1 1 . 1 1 17 17 GLY H H 17 8.356 8.356 8.677 -0.321 19579 84 1 1 . 1 1 18 18 VAL N N 18 119.220 119.220 120.889 -1.669 19579 85 1 1 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.270 -0.203 19579 86 1 1 . 1 1 18 18 VAL C C 18 175.946 175.946 176.162 -0.216 19579 87 1 1 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.970 1.313 19579 88 1 1 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.750 0.014 19579 89 1 1 . 1 1 18 18 VAL H H 18 7.899 7.899 7.999 -0.100 19579 90 1 1 . 1 1 19 19 ALA N N 19 127.804 127.804 120.675 7.129 19579 91 1 1 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.043 1.244 19579 92 1 1 . 1 1 19 19 ALA C C 19 177.303 177.303 175.395 1.908 19579 93 1 1 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.063 -0.603 19579 94 1 1 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.389 1.910 19579 95 1 1 . 1 1 19 19 ALA H H 19 8.377 8.377 8.150 0.227 19579 96 1 1 . 1 1 20 20 ALA N N 20 123.602 123.602 120.561 3.041 19579 97 1 1 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.524 -0.245 19579 98 1 1 . 1 1 20 20 ALA C C 20 178.086 178.086 177.702 0.384 19579 99 1 1 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.858 1.894 19579 100 1 1 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.963 -1.648 19579 101 1 1 . 1 1 20 20 ALA H H 20 8.261 8.261 7.548 0.713 19579 102 1 1 . 1 1 21 21 GLY N N 21 108.033 108.033 113.320 -5.287 19579 103 1 1 . 1 1 21 21 GLY C C 21 174.213 174.213 175.147 -0.934 19579 104 1 1 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.531 -1.240 19579 105 1 1 . 1 1 21 21 GLY H H 21 8.323 8.323 8.917 -0.594 19579 106 1 1 . 1 1 22 22 SER N N 22 115.596 115.596 119.618 -4.022 19579 107 1 1 . 1 1 22 22 SER HA H 22 4.369 4.369 4.651 -0.282 19579 108 1 1 . 1 1 22 22 SER C C 22 175.328 175.328 173.100 2.228 19579 109 1 1 . 1 1 22 22 SER CA C 22 58.686 58.686 58.097 0.589 19579 110 1 1 . 1 1 22 22 SER CB C 22 63.915 63.915 63.980 -0.065 19579 111 1 1 . 1 1 22 22 SER H H 22 8.118 8.118 8.299 -0.181 19579 112 1 1 . 1 1 23 23 TYR N N 23 121.490 121.490 121.217 0.273 19579 113 1 1 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.773 -0.004 19579 114 1 1 . 1 1 23 23 TYR C C 23 175.890 175.890 174.930 0.960 19579 115 1 1 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.889 0.835 19579 116 1 1 . 1 1 23 23 TYR CB C 23 37.863 37.863 38.554 -0.691 19579 117 1 1 . 1 1 23 23 TYR H H 23 8.620 8.620 7.519 1.101 19579 118 1 1 . 1 1 24 24 ALA N N 24 121.940 121.940 126.711 -4.771 19579 119 1 1 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.643 -0.762 19579 120 1 1 . 1 1 24 24 ALA C C 24 179.366 179.366 177.554 1.812 19579 121 1 1 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.151 3.242 19579 122 1 1 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.945 -2.405 19579 123 1 1 . 1 1 24 24 ALA H H 24 8.127 8.127 9.262 -1.135 19579 124 1 1 . 1 1 25 25 GLY N N 25 106.527 106.527 108.486 -1.959 19579 125 1 1 . 1 1 25 25 GLY C C 25 175.074 175.074 175.165 -0.091 19579 126 1 1 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.265 -0.068 19579 127 1 1 . 1 1 25 25 GLY H H 25 8.647 8.647 8.548 0.099 19579 128 1 1 . 1 1 26 26 ALA N N 26 122.752 122.752 123.815 -1.063 19579 129 1 1 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.153 -0.126 19579 130 1 1 . 1 1 26 26 ALA C C 26 177.490 177.490 178.925 -1.435 19579 131 1 1 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.592 -0.056 19579 132 1 1 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.481 0.495 19579 133 1 1 . 1 1 26 26 ALA H H 26 7.552 7.552 7.894 -0.342 19579 134 1 1 . 1 1 27 27 VAL N N 27 113.110 113.110 113.510 -0.400 19579 135 1 1 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.903 -0.442 19579 136 1 1 . 1 1 27 27 VAL C C 27 179.366 179.366 178.100 1.266 19579 137 1 1 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.087 0.476 19579 138 1 1 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.824 0.271 19579 139 1 1 . 1 1 27 27 VAL H H 27 7.283 7.283 7.155 0.128 19579 140 1 1 . 1 1 28 28 ASN N N 28 119.671 119.671 120.295 -0.624 19579 141 1 1 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.412 -0.057 19579 142 1 1 . 1 1 28 28 ASN C C 28 177.667 177.667 177.220 0.447 19579 143 1 1 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.401 -0.310 19579 144 1 1 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.748 0.572 19579 145 1 1 . 1 1 28 28 ASN H H 28 8.374 8.374 8.215 0.159 19579 146 1 1 . 1 1 29 29 ARG N N 29 116.957 116.957 120.935 -3.978 19579 147 1 1 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.189 -0.071 19579 148 1 1 . 1 1 29 29 ARG C C 29 177.457 177.457 178.752 -1.295 19579 149 1 1 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.032 0.663 19579 150 1 1 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.700 0.437 19579 151 1 1 . 1 1 29 29 ARG H H 29 7.860 7.860 7.728 0.132 19579 152 1 1 . 1 1 30 30 LEU N N 30 121.060 121.060 119.030 2.030 19579 153 1 1 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.192 -0.238 19579 154 1 1 . 1 1 30 30 LEU C C 30 174.975 174.975 177.381 -2.406 19579 155 1 1 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.542 0.680 19579 156 1 1 . 1 1 30 30 LEU CB C 30 40.958 40.958 42.035 -1.077 19579 157 1 1 . 1 1 30 30 LEU H H 30 7.524 7.524 7.768 -0.244 19579 158 1 1 . 1 1 31 31 SER N N 31 106.764 106.764 112.651 -5.887 19579 159 1 1 . 1 1 31 31 SER HA H 31 4.523 4.523 4.419 0.104 19579 160 1 1 . 1 1 31 31 SER C C 31 174.666 174.666 174.925 -0.259 19579 161 1 1 . 1 1 31 31 SER CA C 31 57.680 57.680 58.777 -1.097 19579 162 1 1 . 1 1 31 31 SER CB C 31 63.290 63.290 63.277 0.013 19579 163 1 1 . 1 1 31 31 SER H H 31 7.046 7.046 7.765 -0.719 19579 164 1 1 . 1 1 32 32 SER N N 32 117.235 117.235 118.622 -1.387 19579 165 1 1 . 1 1 32 32 SER HA H 32 4.383 4.383 4.626 -0.243 19579 166 1 1 . 1 1 32 32 SER C C 32 174.677 174.677 174.960 -0.283 19579 167 1 1 . 1 1 32 32 SER CA C 32 58.027 58.027 57.809 0.218 19579 168 1 1 . 1 1 32 32 SER CB C 32 66.069 66.069 64.945 1.124 19579 169 1 1 . 1 1 32 32 SER H H 32 7.721 7.721 7.379 0.342 19579 170 1 1 . 1 1 33 33 ALA N N 33 126.048 126.048 126.881 -0.833 19579 171 1 1 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.009 0.089 19579 172 1 1 . 1 1 33 33 ALA C C 33 180.822 180.822 179.644 1.178 19579 173 1 1 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.954 -0.213 19579 174 1 1 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.413 -0.384 19579 175 1 1 . 1 1 33 33 ALA H H 33 8.980 8.980 8.939 0.041 19579 176 1 1 . 1 1 34 34 GLU N N 34 117.978 117.978 119.343 -1.365 19579 177 1 1 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.946 -0.011 19579 178 1 1 . 1 1 34 34 GLU C C 34 178.560 178.560 178.800 -0.240 19579 179 1 1 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.617 0.757 19579 180 1 1 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.085 -0.272 19579 181 1 1 . 1 1 34 34 GLU H H 34 8.993 8.993 8.566 0.427 19579 182 1 1 . 1 1 35 35 ALA N N 35 123.748 123.748 121.785 1.963 19579 183 1 1 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.241 -0.190 19579 184 1 1 . 1 1 35 35 ALA C C 35 179.101 179.101 179.565 -0.464 19579 185 1 1 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.911 0.508 19579 186 1 1 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.307 0.977 19579 187 1 1 . 1 1 35 35 ALA H H 35 7.443 7.443 8.249 -0.806 19579 188 1 1 . 1 1 36 36 ALA N N 36 118.503 118.503 120.089 -1.586 19579 189 1 1 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.954 -0.199 19579 190 1 1 . 1 1 36 36 ALA C C 36 180.745 180.745 179.874 0.871 19579 191 1 1 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.912 0.629 19579 192 1 1 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.952 -0.926 19579 193 1 1 . 1 1 36 36 ALA H H 36 7.484 7.484 7.873 -0.389 19579 194 1 1 . 1 1 37 37 SER N N 37 114.688 114.688 114.162 0.526 19579 195 1 1 . 1 1 37 37 SER HA H 37 4.170 4.170 4.249 -0.079 19579 196 1 1 . 1 1 37 37 SER C C 37 177.214 177.214 176.841 0.373 19579 197 1 1 . 1 1 37 37 SER CA C 37 61.628 61.628 60.845 0.783 19579 198 1 1 . 1 1 37 37 SER CB C 37 62.653 62.653 63.063 -0.410 19579 199 1 1 . 1 1 37 37 SER H H 37 8.178 8.178 8.129 0.049 19579 200 1 1 . 1 1 38 38 ARG N N 38 123.817 123.817 121.507 2.310 19579 201 1 1 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.069 -0.065 19579 202 1 1 . 1 1 38 38 ARG C C 38 179.564 179.564 178.855 0.709 19579 203 1 1 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.144 1.513 19579 204 1 1 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.411 1.402 19579 205 1 1 . 1 1 38 38 ARG H H 38 7.882 7.882 7.506 0.376 19579 206 1 1 . 1 1 39 39 VAL N N 39 120.446 120.446 119.726 0.720 19579 207 1 1 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.636 -0.307 19579 208 1 1 . 1 1 39 39 VAL C C 39 178.505 178.505 177.828 0.677 19579 209 1 1 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.820 1.374 19579 210 1 1 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.641 -0.071 19579 211 1 1 . 1 1 39 39 VAL H H 39 8.543 8.543 8.212 0.331 19579 212 1 1 . 1 1 40 40 SER N N 40 114.009 114.009 114.750 -0.741 19579 213 1 1 . 1 1 40 40 SER HA H 40 4.080 4.080 3.979 0.101 19579 214 1 1 . 1 1 40 40 SER C C 40 176.340 176.340 176.501 -0.161 19579 215 1 1 . 1 1 40 40 SER CA C 40 62.940 62.940 62.166 0.774 19579 216 1 1 . 1 1 40 40 SER CB C 40 62.953 62.953 62.621 0.332 19579 217 1 1 . 1 1 40 40 SER H H 40 8.602 8.602 8.415 0.187 19579 218 1 1 . 1 1 41 41 SER N N 41 114.648 114.648 115.427 -0.779 19579 219 1 1 . 1 1 41 41 SER HA H 41 4.333 4.333 4.438 -0.105 19579 220 1 1 . 1 1 41 41 SER C C 41 174.390 174.390 175.284 -0.894 19579 221 1 1 . 1 1 41 41 SER CA C 41 60.828 60.828 59.350 1.478 19579 222 1 1 . 1 1 41 41 SER CB C 41 63.563 63.563 63.203 0.360 19579 223 1 1 . 1 1 41 41 SER H H 41 8.003 8.003 7.754 0.249 19579 224 1 1 . 1 1 42 42 ASN N N 42 117.849 117.849 119.463 -1.614 19579 225 1 1 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.747 0.217 19579 226 1 1 . 1 1 42 42 ASN C C 42 174.677 174.677 176.931 -2.254 19579 227 1 1 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.537 0.826 19579 228 1 1 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.390 1.876 19579 229 1 1 . 1 1 42 42 ASN H H 42 7.600 7.600 7.819 -0.219 19579 230 1 1 . 1 1 43 43 ILE N N 43 116.952 116.952 117.947 -0.995 19579 231 1 1 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.771 -0.100 19579 232 1 1 . 1 1 43 43 ILE C C 43 176.773 176.773 176.872 -0.099 19579 233 1 1 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.327 -0.100 19579 234 1 1 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.237 0.173 19579 235 1 1 . 1 1 43 43 ILE H H 43 7.336 7.336 8.525 -1.189 19579 236 1 1 . 1 1 44 44 ALA N N 44 122.396 122.396 121.896 0.500 19579 237 1 1 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.924 0.112 19579 238 1 1 . 1 1 44 44 ALA C C 44 180.304 180.304 178.692 1.612 19579 239 1 1 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.853 0.535 19579 240 1 1 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.098 -0.610 19579 241 1 1 . 1 1 44 44 ALA H H 44 8.617 8.617 8.314 0.303 19579 242 1 1 . 1 1 45 45 ALA N N 45 120.804 120.804 121.378 -0.574 19579 243 1 1 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.173 -0.120 19579 244 1 1 . 1 1 45 45 ALA C C 45 180.591 180.591 180.212 0.379 19579 245 1 1 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.590 0.162 19579 246 1 1 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.575 0.042 19579 247 1 1 . 1 1 45 45 ALA H H 45 7.913 7.913 7.703 0.210 19579 248 1 1 . 1 1 46 46 ILE N N 46 117.637 117.637 119.790 -2.153 19579 249 1 1 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.770 -0.142 19579 250 1 1 . 1 1 46 46 ILE C C 46 177.612 177.612 178.391 -0.779 19579 251 1 1 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.621 -1.342 19579 252 1 1 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.763 -0.103 19579 253 1 1 . 1 1 46 46 ILE H H 46 7.313 7.313 7.617 -0.304 19579 254 1 1 . 1 1 47 47 ALA N N 47 121.493 121.493 122.569 -1.076 19579 255 1 1 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.188 -0.244 19579 256 1 1 . 1 1 47 47 ALA C C 47 178.538 178.538 178.304 0.234 19579 257 1 1 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.718 0.669 19579 258 1 1 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.357 0.622 19579 259 1 1 . 1 1 47 47 ALA H H 47 8.413 8.413 8.613 -0.200 19579 260 1 1 . 1 1 48 48 SER N N 48 109.024 109.024 112.454 -3.430 19579 261 1 1 . 1 1 48 48 SER HA H 48 4.352 4.352 4.592 -0.240 19579 262 1 1 . 1 1 48 48 SER C C 48 176.056 176.056 174.606 1.450 19579 263 1 1 . 1 1 48 48 SER CA C 48 59.977 59.977 58.993 0.984 19579 264 1 1 . 1 1 48 48 SER CB C 48 63.838 63.838 63.984 -0.146 19579 265 1 1 . 1 1 48 48 SER H H 48 8.030 8.030 7.719 0.311 19579 266 1 1 . 1 1 49 49 GLY N N 49 108.121 108.121 108.273 -0.152 19579 267 1 1 . 1 1 49 49 GLY C C 49 174.820 174.820 174.286 0.534 19579 268 1 1 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.476 -0.283 19579 269 1 1 . 1 1 49 49 GLY H H 49 8.048 8.048 7.843 0.205 19579 270 1 1 . 1 1 50 50 GLY N N 50 111.955 111.955 108.509 3.446 19579 271 1 1 . 1 1 50 50 GLY C C 50 174.975 174.975 173.907 1.068 19579 272 1 1 . 1 1 50 50 GLY CA C 50 46.182 46.182 45.780 0.402 19579 273 1 1 . 1 1 50 50 GLY H H 50 8.409 8.409 8.604 -0.195 19579 274 1 1 . 1 1 51 51 ALA N N 51 126.247 126.247 122.855 3.392 19579 275 1 1 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.630 -0.811 19579 276 1 1 . 1 1 51 51 ALA C C 51 179.697 179.697 179.013 0.684 19579 277 1 1 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.273 2.787 19579 278 1 1 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.276 -0.997 19579 279 1 1 . 1 1 51 51 ALA H H 51 9.119 9.119 8.061 1.058 19579 280 1 1 . 1 1 52 52 SER N N 52 111.975 111.975 116.267 -4.292 19579 281 1 1 . 1 1 52 52 SER HA H 52 4.222 4.222 4.320 -0.098 19579 282 1 1 . 1 1 52 52 SER C C 52 174.983 174.983 175.089 -0.106 19579 283 1 1 . 1 1 52 52 SER CA C 52 60.814 60.814 60.886 -0.072 19579 284 1 1 . 1 1 52 52 SER CB C 52 62.977 62.977 62.965 0.013 19579 285 1 1 . 1 1 52 52 SER H H 52 8.231 8.231 8.543 -0.312 19579 286 1 1 . 1 1 53 53 ALA N N 53 122.484 122.484 122.000 0.484 19579 287 1 1 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.459 -0.057 19579 288 1 1 . 1 1 53 53 ALA C C 53 177.391 177.391 178.159 -0.768 19579 289 1 1 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.507 -0.380 19579 290 1 1 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.793 1.153 19579 291 1 1 . 1 1 53 53 ALA H H 53 7.602 7.602 7.949 -0.347 19579 292 1 1 . 1 1 54 54 LEU N N 54 117.414 117.414 120.295 -2.881 19579 293 1 1 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.074 -0.195 19579 294 1 1 . 1 1 54 54 LEU C C 54 174.434 174.434 176.387 -1.953 19579 295 1 1 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.809 0.506 19579 296 1 1 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.663 -0.043 19579 297 1 1 . 1 1 54 54 LEU H H 54 7.408 7.408 7.440 -0.032 19579 298 1 1 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.363 -0.172 19579 299 1 1 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.158 1.776 19579 300 1 1 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.078 -0.028 19579 301 1 1 . 1 1 56 56 SER N N 56 113.559 113.559 111.446 2.113 19579 302 1 1 . 1 1 56 56 SER HA H 56 4.234 4.234 4.548 -0.314 19579 303 1 1 . 1 1 56 56 SER C C 56 176.552 176.552 174.639 1.913 19579 304 1 1 . 1 1 56 56 SER CA C 56 61.233 61.233 58.883 2.350 19579 305 1 1 . 1 1 56 56 SER CB C 56 62.733 62.733 62.946 -0.213 19579 306 1 1 . 1 1 56 56 SER H H 56 7.834 7.834 7.455 0.379 19579 307 1 1 . 1 1 57 57 VAL N N 57 123.292 123.292 118.293 4.999 19579 308 1 1 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.276 -0.533 19579 309 1 1 . 1 1 57 57 VAL C C 57 178.042 178.042 176.244 1.798 19579 310 1 1 . 1 1 57 57 VAL CA C 57 66.460 66.460 62.789 3.671 19579 311 1 1 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.767 -1.999 19579 312 1 1 . 1 1 57 57 VAL H H 57 8.263 8.263 7.595 0.668 19579 313 1 1 . 1 1 58 58 ILE N N 58 118.510 118.510 121.127 -2.617 19579 314 1 1 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.715 -0.031 19579 315 1 1 . 1 1 58 58 ILE C C 58 176.221 176.221 177.947 -1.726 19579 316 1 1 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.430 -1.348 19579 317 1 1 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.845 -0.496 19579 318 1 1 . 1 1 58 58 ILE H H 58 8.873 8.873 8.700 0.173 19579 319 1 1 . 1 1 59 59 SER N N 59 114.238 114.238 113.809 0.429 19579 320 1 1 . 1 1 59 59 SER HA H 59 4.305 4.305 4.572 -0.267 19579 321 1 1 . 1 1 59 59 SER C C 59 177.534 177.534 176.027 1.507 19579 322 1 1 . 1 1 59 59 SER CA C 59 61.586 61.586 60.444 1.141 19579 323 1 1 . 1 1 59 59 SER CB C 59 62.951 62.951 63.052 -0.101 19579 324 1 1 . 1 1 59 59 SER H H 59 7.388 7.388 8.458 -1.070 19579 325 1 1 . 1 1 60 60 ASN N N 60 120.810 120.810 120.758 0.052 19579 326 1 1 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.643 -0.283 19579 327 1 1 . 1 1 60 60 ASN C C 60 178.616 178.616 177.890 0.726 19579 328 1 1 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.918 0.797 19579 329 1 1 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.400 0.596 19579 330 1 1 . 1 1 60 60 ASN H H 60 8.147 8.147 7.798 0.349 19579 331 1 1 . 1 1 61 61 ILE N N 61 121.116 121.116 120.998 0.118 19579 332 1 1 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.703 -0.182 19579 333 1 1 . 1 1 61 61 ILE C C 61 176.972 176.972 177.572 -0.600 19579 334 1 1 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.174 1.389 19579 335 1 1 . 1 1 61 61 ILE CB C 61 39.006 39.006 37.840 1.166 19579 336 1 1 . 1 1 61 61 ILE H H 61 8.642 8.642 7.694 0.948 19579 337 1 1 . 1 1 62 62 TYR N N 62 119.953 119.953 121.425 -1.472 19579 338 1 1 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.017 -0.394 19579 339 1 1 . 1 1 62 62 TYR C C 62 176.828 176.828 177.397 -0.569 19579 340 1 1 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.474 0.609 19579 341 1 1 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.120 0.855 19579 342 1 1 . 1 1 62 62 TYR H H 62 9.192 9.192 8.051 1.141 19579 343 1 1 . 1 1 63 63 SER N N 63 111.464 111.464 114.949 -3.485 19579 344 1 1 . 1 1 63 63 SER HA H 63 4.035 4.035 4.076 -0.041 19579 345 1 1 . 1 1 63 63 SER C C 63 177.325 177.325 176.959 0.366 19579 346 1 1 . 1 1 63 63 SER CA C 63 62.027 62.027 62.708 -0.681 19579 347 1 1 . 1 1 63 63 SER CB C 63 62.565 62.565 62.555 0.010 19579 348 1 1 . 1 1 63 63 SER H H 63 8.320 8.320 7.859 0.461 19579 349 1 1 . 1 1 64 64 GLY N N 64 110.383 110.383 109.696 0.687 19579 350 1 1 . 1 1 64 64 GLY C C 64 175.581 175.581 175.130 0.451 19579 351 1 1 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.870 0.444 19579 352 1 1 . 1 1 64 64 GLY H H 64 7.724 7.724 7.719 0.005 19579 353 1 1 . 1 1 65 65 VAL N N 65 124.665 124.665 120.429 4.236 19579 354 1 1 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.763 -0.519 19579 355 1 1 . 1 1 65 65 VAL C C 65 180.072 180.072 177.412 2.660 19579 356 1 1 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.726 1.278 19579 357 1 1 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.843 -0.135 19579 358 1 1 . 1 1 65 65 VAL H H 65 8.584 8.584 7.461 1.123 19579 359 1 1 . 1 1 66 66 VAL N N 66 120.803 120.803 119.436 1.367 19579 360 1 1 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.484 0.239 19579 361 1 1 . 1 1 66 66 VAL C C 66 179.829 179.829 178.280 1.549 19579 362 1 1 . 1 1 66 66 VAL CA C 66 66.215 66.215 66.196 0.019 19579 363 1 1 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.320 0.435 19579 364 1 1 . 1 1 66 66 VAL H H 66 8.305 8.305 7.967 0.338 19579 365 1 1 . 1 1 67 67 ALA N N 67 123.266 123.266 121.014 2.252 19579 366 1 1 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.197 -0.033 19579 367 1 1 . 1 1 67 67 ALA C C 67 178.560 178.560 178.334 0.226 19579 368 1 1 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.017 0.407 19579 369 1 1 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.122 -0.111 19579 370 1 1 . 1 1 67 67 ALA H H 67 7.979 7.979 8.027 -0.048 19579 371 1 1 . 1 1 68 68 SER N N 68 112.669 112.669 114.802 -2.133 19579 372 1 1 . 1 1 68 68 SER HA H 68 4.436 4.436 4.367 0.069 19579 373 1 1 . 1 1 68 68 SER C C 68 174.555 174.555 175.467 -0.912 19579 374 1 1 . 1 1 68 68 SER CA C 68 59.634 59.634 58.936 0.698 19579 375 1 1 . 1 1 68 68 SER CB C 68 63.943 63.943 63.883 0.060 19579 376 1 1 . 1 1 68 68 SER H H 68 7.674 7.674 7.439 0.235 19579 377 1 1 . 1 1 69 69 GLY N N 69 109.146 109.146 108.305 0.841 19579 378 1 1 . 1 1 69 69 GLY C C 69 173.904 173.904 173.697 0.207 19579 379 1 1 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.852 0.379 19579 380 1 1 . 1 1 69 69 GLY H H 69 7.939 7.939 7.546 0.393 19579 381 1 1 . 1 1 70 70 VAL N N 70 119.926 119.926 118.975 0.951 19579 382 1 1 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.289 -0.379 19579 383 1 1 . 1 1 70 70 VAL C C 70 174.997 174.997 175.680 -0.683 19579 384 1 1 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.590 1.694 19579 385 1 1 . 1 1 70 70 VAL CB C 70 32.424 32.424 34.535 -2.111 19579 386 1 1 . 1 1 70 70 VAL H H 70 6.723 6.723 7.423 -0.700 19579 387 1 1 . 1 1 71 71 SER N N 71 120.581 120.581 120.353 0.228 19579 388 1 1 . 1 1 71 71 SER HA H 71 4.386 4.386 4.467 -0.081 19579 389 1 1 . 1 1 71 71 SER C C 71 175.559 175.559 175.453 0.106 19579 390 1 1 . 1 1 71 71 SER CA C 71 58.441 58.441 58.676 -0.235 19579 391 1 1 . 1 1 71 71 SER CB C 71 64.632 64.632 63.841 0.791 19579 392 1 1 . 1 1 71 71 SER H H 71 8.577 8.577 8.520 0.057 19579 393 1 1 . 1 1 72 72 SER N N 72 117.898 117.898 118.999 -1.101 19579 394 1 1 . 1 1 72 72 SER HA H 72 4.083 4.083 4.090 -0.007 19579 395 1 1 . 1 1 72 72 SER C C 72 176.255 176.255 176.675 -0.420 19579 396 1 1 . 1 1 72 72 SER CA C 72 61.586 61.586 62.514 -0.928 19579 397 1 1 . 1 1 72 72 SER CB C 72 62.622 62.622 62.896 -0.274 19579 398 1 1 . 1 1 72 72 SER H H 72 8.889 8.889 8.673 0.216 19579 399 1 1 . 1 1 73 73 ASN N N 73 118.976 118.976 118.948 0.028 19579 400 1 1 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.526 0.131 19579 401 1 1 . 1 1 73 73 ASN C C 73 176.506 176.506 177.475 -0.969 19579 402 1 1 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.566 0.495 19579 403 1 1 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.398 -0.398 19579 404 1 1 . 1 1 73 73 ASN H H 73 8.519 8.519 8.470 0.049 19579 405 1 1 . 1 1 74 74 GLU N N 74 118.543 118.543 118.467 0.076 19579 406 1 1 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.123 -0.013 19579 407 1 1 . 1 1 74 74 GLU C C 74 176.994 176.994 178.032 -1.038 19579 408 1 1 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.614 -0.588 19579 409 1 1 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.300 2.063 19579 410 1 1 . 1 1 74 74 GLU H H 74 7.768 7.768 8.371 -0.603 19579 411 1 1 . 1 1 75 75 ALA N N 75 121.901 121.901 124.540 -2.639 19579 412 1 1 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.968 -0.278 19579 413 1 1 . 1 1 75 75 ALA C C 75 178.318 178.318 179.164 -0.846 19579 414 1 1 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.313 -0.085 19579 415 1 1 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.335 0.306 19579 416 1 1 . 1 1 75 75 ALA H H 75 8.069 8.069 8.362 -0.293 19579 417 1 1 . 1 1 76 76 LEU N N 76 117.360 117.360 119.502 -2.142 19579 418 1 1 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.143 -0.033 19579 419 1 1 . 1 1 76 76 LEU C C 76 177.854 177.854 178.844 -0.990 19579 420 1 1 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.839 0.175 19579 421 1 1 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.010 -1.242 19579 422 1 1 . 1 1 76 76 LEU H H 76 8.121 8.121 7.574 0.547 19579 423 1 1 . 1 1 77 77 ILE N N 77 116.714 116.714 119.027 -2.313 19579 424 1 1 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.643 -0.191 19579 425 1 1 . 1 1 77 77 ILE C C 77 176.883 176.883 178.063 -1.180 19579 426 1 1 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.866 -0.608 19579 427 1 1 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.988 -0.246 19579 428 1 1 . 1 1 77 77 ILE H H 77 7.607 7.607 7.525 0.082 19579 429 1 1 . 1 1 78 78 GLN N N 78 119.338 119.338 119.965 -0.627 19579 430 1 1 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.883 -0.251 19579 431 1 1 . 1 1 78 78 GLN C C 78 177.521 177.521 178.325 -0.804 19579 432 1 1 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.399 0.921 19579 433 1 1 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.633 -0.458 19579 434 1 1 . 1 1 78 78 GLN H H 78 8.119 8.119 8.639 -0.520 19579 435 1 1 . 1 1 79 79 ALA N N 79 119.218 119.218 122.089 -2.871 19579 436 1 1 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.036 -0.164 19579 437 1 1 . 1 1 79 79 ALA C C 79 179.311 179.311 179.891 -0.580 19579 438 1 1 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.121 -0.296 19579 439 1 1 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.446 -0.627 19579 440 1 1 . 1 1 79 79 ALA H H 79 8.639 8.639 7.947 0.692 19579 441 1 1 . 1 1 80 80 LEU N N 80 116.262 116.262 118.390 -2.128 19579 442 1 1 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.993 -0.094 19579 443 1 1 . 1 1 80 80 LEU C C 80 178.914 178.914 179.095 -0.181 19579 444 1 1 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.362 0.649 19579 445 1 1 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.773 -0.158 19579 446 1 1 . 1 1 80 80 LEU H H 80 8.450 8.450 7.645 0.805 19579 447 1 1 . 1 1 81 81 LEU N N 81 118.995 118.995 120.148 -1.153 19579 448 1 1 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.906 0.066 19579 449 1 1 . 1 1 81 81 LEU C C 81 180.127 180.127 179.538 0.589 19579 450 1 1 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.295 -0.312 19579 451 1 1 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.149 1.394 19579 452 1 1 . 1 1 81 81 LEU H H 81 8.151 8.151 8.535 -0.384 19579 453 1 1 . 1 1 82 82 GLU N N 82 124.890 124.890 118.939 5.951 19579 454 1 1 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.157 -0.524 19579 455 1 1 . 1 1 82 82 GLU C C 82 178.505 178.505 178.652 -0.147 19579 456 1 1 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.799 2.501 19579 457 1 1 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.509 0.270 19579 458 1 1 . 1 1 82 82 GLU H H 82 8.659 8.659 8.299 0.360 19579 459 1 1 . 1 1 83 83 LEU N N 83 121.487 121.487 120.131 1.356 19579 460 1 1 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.223 -0.403 19579 461 1 1 . 1 1 83 83 LEU C C 83 178.163 178.163 178.667 -0.504 19579 462 1 1 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.330 0.825 19579 463 1 1 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.870 -0.236 19579 464 1 1 . 1 1 83 83 LEU H H 83 8.658 8.658 7.460 1.198 19579 465 1 1 . 1 1 84 84 LEU N N 84 118.904 118.904 117.993 0.911 19579 466 1 1 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.174 -0.388 19579 467 1 1 . 1 1 84 84 LEU C C 84 178.064 178.064 178.396 -0.332 19579 468 1 1 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.209 1.454 19579 469 1 1 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.720 1.485 19579 470 1 1 . 1 1 84 84 LEU H H 84 8.803 8.803 8.626 0.177 19579 471 1 1 . 1 1 85 85 SER N N 85 114.347 114.347 112.294 2.053 19579 472 1 1 . 1 1 85 85 SER HA H 85 4.211 4.211 4.550 -0.339 19579 473 1 1 . 1 1 85 85 SER C C 85 174.633 174.633 175.373 -0.740 19579 474 1 1 . 1 1 85 85 SER CA C 85 62.957 62.957 59.901 3.057 19579 475 1 1 . 1 1 85 85 SER CB C 85 62.947 62.947 64.410 -1.464 19579 476 1 1 . 1 1 85 85 SER H H 85 7.879 7.879 7.855 0.024 19579 477 1 1 . 1 1 86 86 ALA N N 86 124.206 124.206 126.263 -2.057 19579 478 1 1 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.238 -0.468 19579 479 1 1 . 1 1 86 86 ALA C C 86 178.538 178.538 179.105 -0.567 19579 480 1 1 . 1 1 86 86 ALA CA C 86 55.366 55.366 54.992 0.374 19579 481 1 1 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.965 -1.621 19579 482 1 1 . 1 1 86 86 ALA H H 86 8.199 8.199 7.572 0.627 19579 483 1 1 . 1 1 87 87 LEU N N 87 116.463 116.463 115.866 0.597 19579 484 1 1 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.198 -0.377 19579 485 1 1 . 1 1 87 87 LEU C C 87 178.709 178.709 178.301 0.408 19579 486 1 1 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.820 0.534 19579 487 1 1 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.550 2.044 19579 488 1 1 . 1 1 87 87 LEU H H 87 8.140 8.140 7.750 0.390 19579 489 1 1 . 1 1 88 88 VAL N N 88 118.854 118.854 119.333 -0.479 19579 490 1 1 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.804 -0.401 19579 491 1 1 . 1 1 88 88 VAL C C 88 177.766 177.766 177.375 0.391 19579 492 1 1 . 1 1 88 88 VAL CA C 88 66.665 66.665 65.617 1.048 19579 493 1 1 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.344 0.103 19579 494 1 1 . 1 1 88 88 VAL H H 88 8.716 8.716 7.730 0.986 19579 495 1 1 . 1 1 89 89 HIS N N 89 121.227 121.227 119.881 1.346 19579 496 1 1 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.354 -0.315 19579 497 1 1 . 1 1 89 89 HIS C C 89 178.880 178.880 177.966 0.914 19579 498 1 1 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.908 1.414 19579 499 1 1 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.142 1.606 19579 500 1 1 . 1 1 89 89 HIS H H 89 8.664 8.664 7.617 1.047 19579 501 1 1 . 1 1 90 90 VAL N N 90 118.094 118.094 117.804 0.290 19579 502 1 1 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.913 -0.346 19579 503 1 1 . 1 1 90 90 VAL C C 90 177.733 177.733 177.690 0.043 19579 504 1 1 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.522 1.308 19579 505 1 1 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.712 -0.112 19579 506 1 1 . 1 1 90 90 VAL H H 90 7.994 7.994 7.732 0.262 19579 507 1 1 . 1 1 91 91 LEU N N 91 119.672 119.672 120.938 -1.266 19579 508 1 1 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.130 -0.298 19579 509 1 1 . 1 1 91 91 LEU C C 91 178.869 178.869 178.590 0.279 19579 510 1 1 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.167 0.591 19579 511 1 1 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.282 1.657 19579 512 1 1 . 1 1 91 91 LEU H H 91 8.393 8.393 7.768 0.625 19579 513 1 1 . 1 1 92 92 SER N N 92 113.554 113.554 114.170 -0.616 19579 514 1 1 . 1 1 92 92 SER HA H 92 4.297 4.297 4.255 0.042 19579 515 1 1 . 1 1 92 92 SER C C 92 174.500 174.500 175.468 -0.968 19579 516 1 1 . 1 1 92 92 SER CA C 92 61.410 61.410 60.769 0.641 19579 517 1 1 . 1 1 92 92 SER CB C 92 63.254 63.254 63.016 0.238 19579 518 1 1 . 1 1 92 92 SER H H 92 7.900 7.900 7.750 0.150 19579 519 1 1 . 1 1 93 93 SER N N 93 115.055 115.055 114.010 1.045 19579 520 1 1 . 1 1 93 93 SER HA H 93 4.704 4.704 4.561 0.143 19579 521 1 1 . 1 1 93 93 SER C C 93 173.044 173.044 173.937 -0.893 19579 522 1 1 . 1 1 93 93 SER CA C 93 57.967 57.967 58.521 -0.554 19579 523 1 1 . 1 1 93 93 SER CB C 93 64.574 64.574 64.523 0.051 19579 524 1 1 . 1 1 93 93 SER H H 93 7.420 7.420 7.440 -0.020 19579 525 1 1 . 1 1 94 94 ALA N N 94 124.504 124.504 123.976 0.528 19579 526 1 1 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.351 0.278 19579 527 1 1 . 1 1 94 94 ALA C C 94 176.199 176.199 177.696 -1.497 19579 528 1 1 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.072 -1.603 19579 529 1 1 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.108 2.512 19579 530 1 1 . 1 1 94 94 ALA H H 94 7.476 7.476 7.077 0.399 19579 531 1 1 . 1 1 95 95 SER N N 95 115.739 115.739 113.102 2.637 19579 532 1 1 . 1 1 95 95 SER HA H 95 4.758 4.758 4.072 0.686 19579 533 1 1 . 1 1 95 95 SER C C 95 174.136 174.136 174.088 0.048 19579 534 1 1 . 1 1 95 95 SER CA C 95 57.343 57.343 58.639 -1.296 19579 535 1 1 . 1 1 95 95 SER CB C 95 63.303 63.303 61.194 2.109 19579 536 1 1 . 1 1 95 95 SER H H 95 8.483 8.483 7.803 0.680 19579 537 1 1 . 1 1 96 96 ILE N N 96 128.288 128.288 121.848 6.440 19579 538 1 1 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.055 -0.062 19579 539 1 1 . 1 1 96 96 ILE C C 96 175.868 175.868 177.092 -1.224 19579 540 1 1 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.094 -0.732 19579 541 1 1 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.905 -0.292 19579 542 1 1 . 1 1 96 96 ILE H H 96 8.869 8.869 8.237 0.632 19579 543 1 1 . 1 1 97 97 GLY N N 97 115.495 115.495 115.973 -0.478 19579 544 1 1 . 1 1 97 97 GLY C C 97 173.022 173.022 173.592 -0.570 19579 545 1 1 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.015 -0.145 19579 546 1 1 . 1 1 97 97 GLY H H 97 8.272 8.272 8.603 -0.331 19579 547 1 1 . 1 1 98 98 ASN N N 98 120.819 120.819 120.062 0.757 19579 548 1 1 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.909 -0.261 19579 549 1 1 . 1 1 98 98 ASN C C 98 174.809 174.809 174.385 0.424 19579 550 1 1 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.664 0.762 19579 551 1 1 . 1 1 98 98 ASN CB C 98 38.665 38.665 40.133 -1.468 19579 552 1 1 . 1 1 98 98 ASN H H 98 8.420 8.420 8.293 0.127 19579 553 1 1 . 1 1 99 99 VAL N N 99 122.960 122.960 123.626 -0.666 19579 554 1 1 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.254 -0.080 19579 555 1 1 . 1 1 99 99 VAL C C 99 174.500 174.500 176.124 -1.624 19579 556 1 1 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.389 -0.021 19579 557 1 1 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.034 0.372 19579 558 1 1 . 1 1 99 99 VAL H H 99 8.292 8.292 8.373 -0.081 19579 559 1 1 . 1 1 100 100 SER N N 100 120.723 120.723 119.453 1.270 19579 560 1 1 . 1 1 100 100 SER HA H 100 4.756 4.756 4.677 0.079 19579 561 1 1 . 1 1 100 100 SER C C 100 174.235 174.235 175.174 -0.939 19579 562 1 1 . 1 1 100 100 SER CA C 100 56.687 56.687 57.815 -1.128 19579 563 1 1 . 1 1 100 100 SER CB C 100 64.904 64.904 64.281 0.623 19579 564 1 1 . 1 1 100 100 SER H H 100 8.644 8.644 8.516 0.128 19579 565 1 1 . 1 1 101 101 SER N N 101 117.236 117.236 120.641 -3.405 19579 566 1 1 . 1 1 101 101 SER HA H 101 4.130 4.130 4.607 -0.477 19579 567 1 1 . 1 1 101 101 SER CA C 101 59.000 59.000 58.282 0.718 19579 568 1 1 . 1 1 101 101 SER CB C 101 63.104 63.104 62.383 0.721 19579 569 1 1 . 1 1 102 102 VAL N N 102 124.874 124.874 123.230 1.644 19579 570 1 1 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.163 -0.342 19579 571 1 1 . 1 1 102 102 VAL C C 102 177.545 177.545 175.457 2.088 19579 572 1 1 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.428 2.154 19579 573 1 1 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.343 -1.863 19579 574 1 1 . 1 1 102 102 VAL H H 102 8.090 8.090 7.847 0.243 19579 575 1 1 . 1 1 103 103 GLY N N 103 114.589 114.589 113.860 0.729 19579 576 1 1 . 1 1 103 103 GLY C C 103 176.387 176.387 175.048 1.339 19579 577 1 1 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.210 0.476 19579 578 1 1 . 1 1 103 103 GLY H H 103 9.051 9.051 8.360 0.691 19579 579 1 1 . 1 1 104 104 VAL N N 104 121.976 121.976 121.419 0.557 19579 580 1 1 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.679 -0.331 19579 581 1 1 . 1 1 104 104 VAL C C 104 176.045 176.045 177.460 -1.415 19579 582 1 1 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.102 1.787 19579 583 1 1 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.810 -0.545 19579 584 1 1 . 1 1 104 104 VAL H H 104 7.753 7.753 8.009 -0.256 19579 585 1 1 . 1 1 105 105 ASP N N 105 117.868 117.868 118.936 -1.068 19579 586 1 1 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.239 -0.088 19579 587 1 1 . 1 1 105 105 ASP C C 105 178.406 178.406 178.359 0.047 19579 588 1 1 . 1 1 105 105 ASP CA C 105 56.710 56.710 58.080 -1.370 19579 589 1 1 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.764 -2.112 19579 590 1 1 . 1 1 105 105 ASP H H 105 8.719 8.719 8.704 0.015 19579 591 1 1 . 1 1 106 106 SER N N 106 117.500 117.500 113.133 4.367 19579 592 1 1 . 1 1 106 106 SER HA H 106 4.306 4.306 4.287 0.019 19579 593 1 1 . 1 1 106 106 SER C C 106 176.784 176.784 176.417 0.367 19579 594 1 1 . 1 1 106 106 SER CA C 106 61.523 61.523 61.073 0.450 19579 595 1 1 . 1 1 106 106 SER CB C 106 62.480 62.480 63.055 -0.575 19579 596 1 1 . 1 1 106 106 SER H H 106 7.685 7.685 7.766 -0.081 19579 597 1 1 . 1 1 107 107 THR N N 107 121.741 121.741 119.276 2.465 19579 598 1 1 . 1 1 107 107 THR HA H 107 4.373 4.373 4.080 0.293 19579 599 1 1 . 1 1 107 107 THR C C 107 176.227 176.227 176.292 -0.065 19579 600 1 1 . 1 1 107 107 THR CA C 107 66.648 66.648 66.477 0.171 19579 601 1 1 . 1 1 107 107 THR CB C 107 66.884 66.884 68.749 -1.865 19579 602 1 1 . 1 1 107 107 THR H H 107 8.024 8.024 7.309 0.715 19579 603 1 1 . 1 1 108 108 LEU N N 108 122.175 122.175 121.210 0.965 19579 604 1 1 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.895 0.021 19579 605 1 1 . 1 1 108 108 LEU C C 108 178.560 178.560 178.539 0.021 19579 606 1 1 . 1 1 108 108 LEU CA C 108 59.169 59.169 58.036 1.133 19579 607 1 1 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.390 -0.361 19579 608 1 1 . 1 1 108 108 LEU H H 108 8.475 8.475 8.481 -0.006 19579 609 1 1 . 1 1 109 109 ASN N N 109 116.499 116.499 117.205 -0.706 19579 610 1 1 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.681 -0.195 19579 611 1 1 . 1 1 109 109 ASN C C 109 177.181 177.181 177.406 -0.225 19579 612 1 1 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.699 0.800 19579 613 1 1 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.768 0.217 19579 614 1 1 . 1 1 109 109 ASN H H 109 7.567 7.567 7.703 -0.136 19579 615 1 1 . 1 1 110 110 VAL N N 110 121.382 121.382 120.360 1.022 19579 616 1 1 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.789 0.088 19579 617 1 1 . 1 1 110 110 VAL C C 110 180.116 180.116 177.570 2.546 19579 618 1 1 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.216 0.020 19579 619 1 1 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.724 -0.164 19579 620 1 1 . 1 1 110 110 VAL H H 110 7.978 7.978 7.590 0.388 19579 621 1 1 . 1 1 111 111 VAL N N 111 123.748 123.748 119.739 4.009 19579 622 1 1 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.818 -0.460 19579 623 1 1 . 1 1 111 111 VAL C C 111 177.424 177.424 178.364 -0.940 19579 624 1 1 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.210 2.973 19579 625 1 1 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.304 -0.198 19579 626 1 1 . 1 1 111 111 VAL H H 111 8.228 8.228 7.332 0.896 19579 627 1 1 . 1 1 112 112 GLN N N 112 120.331 120.331 119.032 1.299 19579 628 1 1 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.925 -0.327 19579 629 1 1 . 1 1 112 112 GLN C C 112 178.329 178.329 177.859 0.470 19579 630 1 1 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.335 0.974 19579 631 1 1 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.214 1.927 19579 632 1 1 . 1 1 112 112 GLN H H 112 8.719 8.719 7.809 0.910 19579 633 1 1 . 1 1 113 113 ASP N N 113 117.931 117.931 117.966 -0.035 19579 634 1 1 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.397 -0.047 19579 635 1 1 . 1 1 113 113 ASP C C 113 178.406 178.406 177.051 1.355 19579 636 1 1 . 1 1 113 113 ASP CA C 113 57.029 57.029 57.269 -0.240 19579 637 1 1 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.840 0.453 19579 638 1 1 . 1 1 113 113 ASP H H 113 8.410 8.410 7.853 0.557 19579 639 1 1 . 1 1 114 114 SER N N 114 113.798 113.798 113.449 0.349 19579 640 1 1 . 1 1 114 114 SER HA H 114 4.310 4.310 4.337 -0.027 19579 641 1 1 . 1 1 114 114 SER C C 114 175.416 175.416 175.706 -0.290 19579 642 1 1 . 1 1 114 114 SER CA C 114 61.981 61.981 60.210 1.771 19579 643 1 1 . 1 1 114 114 SER CB C 114 63.618 63.618 63.377 0.242 19579 644 1 1 . 1 1 114 114 SER H H 114 7.973 7.973 7.411 0.562 19579 645 1 1 . 1 1 115 115 VAL N N 115 115.306 115.306 120.980 -5.674 19579 646 1 1 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.423 -0.216 19579 647 1 1 . 1 1 115 115 VAL C C 115 177.325 177.325 177.262 0.063 19579 648 1 1 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.309 0.955 19579 649 1 1 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.814 -0.447 19579 650 1 1 . 1 1 115 115 VAL H H 115 8.090 8.090 7.671 0.419 19579 651 1 1 . 1 1 116 116 GLY N N 116 107.952 107.952 109.445 -1.493 19579 652 1 1 . 1 1 116 116 GLY C C 116 175.129 175.129 174.824 0.305 19579 653 1 1 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.657 0.173 19579 654 1 1 . 1 1 116 116 GLY H H 116 7.991 7.991 8.095 -0.104 19579 655 1 1 . 1 1 117 117 GLN N N 117 116.191 116.191 117.658 -1.467 19579 656 1 1 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.012 0.041 19579 657 1 1 . 1 1 117 117 GLN C C 117 176.056 176.056 176.020 0.036 19579 658 1 1 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.124 -0.069 19579 659 1 1 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.612 0.880 19579 660 1 1 . 1 1 117 117 GLN H H 117 7.721 7.721 8.022 -0.301 19579 661 1 1 . 1 1 118 118 TYR N N 118 116.504 116.504 118.882 -2.378 19579 662 1 1 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.404 -0.178 19579 663 1 1 . 1 1 118 118 TYR C C 118 174.919 174.919 177.527 -2.608 19579 664 1 1 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.688 -1.038 19579 665 1 1 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.581 -0.591 19579 666 1 1 . 1 1 118 118 TYR H H 118 7.685 7.685 7.805 -0.120 19579 667 1 1 . 1 1 119 119 VAL N N 119 115.145 115.145 118.724 -3.579 19579 668 1 1 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.955 0.239 19579 669 1 1 . 1 1 119 119 VAL C C 119 174.666 174.666 177.274 -2.608 19579 670 1 1 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.056 -2.095 19579 671 1 1 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.674 0.944 19579 672 1 1 . 1 1 119 119 VAL H H 119 7.132 7.132 7.793 -0.661 19579 673 1 2 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.083 -0.207 19579 674 1 2 . 1 1 -2 -2 ASN N N -2 118.808 118.808 118.982 -0.174 19579 675 1 2 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.045 1.139 19579 676 1 2 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.337 1.062 19579 677 1 2 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.205 0.102 19579 678 1 2 . 1 1 2 2 THR N N 2 116.876 116.876 123.117 -6.241 19579 679 1 2 . 1 1 2 2 THR HA H 2 4.348 4.348 4.598 -0.250 19579 680 1 2 . 1 1 2 2 THR C C 2 174.600 174.600 174.503 0.097 19579 681 1 2 . 1 1 2 2 THR CA C 2 61.785 61.785 62.247 -0.462 19579 682 1 2 . 1 1 2 2 THR CB C 2 69.800 69.800 69.547 0.253 19579 683 1 2 . 1 1 2 2 THR H H 2 8.176 8.176 8.466 -0.290 19579 684 1 2 . 1 1 3 3 SER N N 3 117.968 117.968 123.431 -5.463 19579 685 1 2 . 1 1 3 3 SER C C 3 174.732 174.732 174.328 0.404 19579 686 1 2 . 1 1 3 3 SER CA C 3 58.585 58.585 57.986 0.599 19579 687 1 2 . 1 1 3 3 SER H H 3 8.248 8.248 8.592 -0.344 19579 688 1 2 . 1 1 5 5 GLY N N 5 108.381 108.381 108.754 -0.373 19579 689 1 2 . 1 1 5 5 GLY C C 5 173.728 173.728 173.520 0.208 19579 690 1 2 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.196 0.019 19579 691 1 2 . 1 1 5 5 GLY H H 5 8.134 8.134 8.545 -0.411 19579 692 1 2 . 1 1 6 6 TYR N N 6 120.011 120.011 117.522 2.489 19579 693 1 2 . 1 1 6 6 TYR HA H 6 4.464 4.464 5.159 -0.695 19579 694 1 2 . 1 1 6 6 TYR C C 6 176.232 176.232 174.921 1.311 19579 695 1 2 . 1 1 6 6 TYR CA C 6 58.175 58.175 56.561 1.614 19579 696 1 2 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.535 -0.771 19579 697 1 2 . 1 1 6 6 TYR H H 6 8.096 8.096 7.533 0.563 19579 698 1 2 . 1 1 7 7 GLY N N 7 110.530 110.530 110.359 0.171 19579 699 1 2 . 1 1 7 7 GLY C C 7 173.772 173.772 172.379 1.393 19579 700 1 2 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.906 0.316 19579 701 1 2 . 1 1 7 7 GLY H H 7 8.283 8.283 8.493 -0.210 19579 702 1 2 . 1 1 8 8 TYR N N 8 120.132 120.132 119.101 1.031 19579 703 1 2 . 1 1 8 8 TYR HA H 8 4.483 4.483 5.410 -0.927 19579 704 1 2 . 1 1 8 8 TYR C C 8 176.420 176.420 175.595 0.825 19579 705 1 2 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.519 1.815 19579 706 1 2 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.957 -2.212 19579 707 1 2 . 1 1 8 8 TYR H H 8 7.987 7.987 8.911 -0.924 19579 708 1 2 . 1 1 9 9 GLY N N 9 110.831 110.831 111.276 -0.445 19579 709 1 2 . 1 1 9 9 GLY C C 9 174.335 174.335 173.108 1.227 19579 710 1 2 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.337 0.112 19579 711 1 2 . 1 1 9 9 GLY H H 9 8.400 8.400 8.559 -0.159 19579 712 1 2 . 1 1 10 10 THR N N 10 113.216 113.216 116.542 -3.326 19579 713 1 2 . 1 1 10 10 THR HA H 10 4.366 4.366 4.655 -0.289 19579 714 1 2 . 1 1 10 10 THR C C 10 174.721 174.721 174.017 0.704 19579 715 1 2 . 1 1 10 10 THR CA C 10 61.829 61.829 61.587 0.242 19579 716 1 2 . 1 1 10 10 THR CB C 10 69.881 69.881 70.160 -0.279 19579 717 1 2 . 1 1 10 10 THR H H 10 8.012 8.012 8.005 0.007 19579 718 1 2 . 1 1 11 11 SER N N 11 117.904 117.904 121.913 -4.009 19579 719 1 2 . 1 1 11 11 SER HA H 11 4.414 4.414 4.668 -0.254 19579 720 1 2 . 1 1 11 11 SER C C 11 174.335 174.335 173.366 0.969 19579 721 1 2 . 1 1 11 11 SER CA C 11 58.363 58.363 58.505 -0.142 19579 722 1 2 . 1 1 11 11 SER CB C 11 63.911 63.911 64.878 -0.967 19579 723 1 2 . 1 1 11 11 SER H H 11 8.342 8.342 8.457 -0.115 19579 724 1 2 . 1 1 12 12 ALA N N 12 126.003 126.003 127.246 -1.243 19579 725 1 2 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.612 -0.374 19579 726 1 2 . 1 1 12 12 ALA C C 12 177.468 177.468 176.716 0.752 19579 727 1 2 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.816 0.956 19579 728 1 2 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.856 -0.768 19579 729 1 2 . 1 1 12 12 ALA H H 12 8.274 8.274 8.171 0.103 19579 730 1 2 . 1 1 13 13 ALA N N 13 122.954 122.954 124.289 -1.335 19579 731 1 2 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.668 -0.443 19579 732 1 2 . 1 1 13 13 ALA C C 13 178.207 178.207 176.374 1.833 19579 733 1 2 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.311 0.268 19579 734 1 2 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.889 -0.598 19579 735 1 2 . 1 1 13 13 ALA H H 13 8.121 8.121 8.512 -0.391 19579 736 1 2 . 1 1 14 14 ALA N N 14 123.733 123.733 124.811 -1.078 19579 737 1 2 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.755 -0.498 19579 738 1 2 . 1 1 14 14 ALA C C 14 178.227 178.227 176.150 2.077 19579 739 1 2 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.884 0.865 19579 740 1 2 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.265 -0.989 19579 741 1 2 . 1 1 14 14 ALA H H 14 8.262 8.262 8.385 -0.123 19579 742 1 2 . 1 1 15 15 GLY N N 15 108.014 108.014 108.410 -0.396 19579 743 1 2 . 1 1 15 15 GLY C C 15 173.849 173.849 172.945 0.904 19579 744 1 2 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.273 0.038 19579 745 1 2 . 1 1 15 15 GLY H H 15 8.239 8.239 8.223 0.016 19579 746 1 2 . 1 1 16 16 ALA N N 16 123.529 123.529 124.253 -0.724 19579 747 1 2 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.835 -0.537 19579 748 1 2 . 1 1 16 16 ALA C C 16 178.108 178.108 176.149 1.959 19579 749 1 2 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.926 0.785 19579 750 1 2 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.601 -2.285 19579 751 1 2 . 1 1 16 16 ALA H H 16 8.102 8.102 8.050 0.052 19579 752 1 2 . 1 1 17 17 GLY N N 17 108.099 108.099 109.725 -1.626 19579 753 1 2 . 1 1 17 17 GLY C C 17 174.081 174.081 173.752 0.329 19579 754 1 2 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.109 0.126 19579 755 1 2 . 1 1 17 17 GLY H H 17 8.356 8.356 8.622 -0.266 19579 756 1 2 . 1 1 18 18 VAL N N 18 119.220 119.220 121.701 -2.481 19579 757 1 2 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.313 -0.246 19579 758 1 2 . 1 1 18 18 VAL C C 18 175.946 175.946 174.838 1.108 19579 759 1 2 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.999 1.284 19579 760 1 2 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.510 -0.746 19579 761 1 2 . 1 1 18 18 VAL H H 18 7.899 7.899 7.952 -0.053 19579 762 1 2 . 1 1 19 19 ALA N N 19 127.804 127.804 131.379 -3.575 19579 763 1 2 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.963 0.324 19579 764 1 2 . 1 1 19 19 ALA C C 19 177.303 177.303 176.018 1.285 19579 765 1 2 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.018 -0.558 19579 766 1 2 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.012 2.287 19579 767 1 2 . 1 1 19 19 ALA H H 19 8.377 8.377 8.825 -0.448 19579 768 1 2 . 1 1 20 20 ALA N N 20 123.602 123.602 124.910 -1.308 19579 769 1 2 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.476 -0.197 19579 770 1 2 . 1 1 20 20 ALA C C 20 178.086 178.086 177.375 0.711 19579 771 1 2 . 1 1 20 20 ALA CA C 20 52.752 52.752 52.597 0.155 19579 772 1 2 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.936 -1.621 19579 773 1 2 . 1 1 20 20 ALA H H 20 8.261 8.261 8.520 -0.259 19579 774 1 2 . 1 1 21 21 GLY N N 21 108.033 108.033 107.192 0.841 19579 775 1 2 . 1 1 21 21 GLY C C 21 174.213 174.213 173.899 0.314 19579 776 1 2 . 1 1 21 21 GLY CA C 21 45.291 45.291 45.980 -0.689 19579 777 1 2 . 1 1 21 21 GLY H H 21 8.323 8.323 7.922 0.401 19579 778 1 2 . 1 1 22 22 SER N N 22 115.596 115.596 114.526 1.070 19579 779 1 2 . 1 1 22 22 SER HA H 22 4.369 4.369 4.459 -0.090 19579 780 1 2 . 1 1 22 22 SER C C 22 175.328 175.328 173.016 2.312 19579 781 1 2 . 1 1 22 22 SER CA C 22 58.686 58.686 57.823 0.863 19579 782 1 2 . 1 1 22 22 SER CB C 22 63.915 63.915 64.545 -0.630 19579 783 1 2 . 1 1 22 22 SER H H 22 8.118 8.118 8.188 -0.070 19579 784 1 2 . 1 1 23 23 TYR N N 23 121.490 121.490 120.029 1.461 19579 785 1 2 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.661 0.108 19579 786 1 2 . 1 1 23 23 TYR C C 23 175.890 175.890 174.897 0.993 19579 787 1 2 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.505 1.219 19579 788 1 2 . 1 1 23 23 TYR CB C 23 37.863 37.863 37.840 0.023 19579 789 1 2 . 1 1 23 23 TYR H H 23 8.620 8.620 7.338 1.282 19579 790 1 2 . 1 1 24 24 ALA N N 24 121.940 121.940 127.685 -5.745 19579 791 1 2 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.653 -0.772 19579 792 1 2 . 1 1 24 24 ALA C C 24 179.366 179.366 177.874 1.492 19579 793 1 2 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.804 3.589 19579 794 1 2 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.755 -2.215 19579 795 1 2 . 1 1 24 24 ALA H H 24 8.127 8.127 8.258 -0.131 19579 796 1 2 . 1 1 25 25 GLY N N 25 106.527 106.527 108.430 -1.903 19579 797 1 2 . 1 1 25 25 GLY C C 25 175.074 175.074 175.209 -0.135 19579 798 1 2 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.297 -0.100 19579 799 1 2 . 1 1 25 25 GLY H H 25 8.647 8.647 8.220 0.427 19579 800 1 2 . 1 1 26 26 ALA N N 26 122.752 122.752 122.747 0.005 19579 801 1 2 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.128 -0.101 19579 802 1 2 . 1 1 26 26 ALA C C 26 177.490 177.490 178.742 -1.252 19579 803 1 2 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.840 -0.304 19579 804 1 2 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.387 0.589 19579 805 1 2 . 1 1 26 26 ALA H H 26 7.552 7.552 8.328 -0.776 19579 806 1 2 . 1 1 27 27 VAL N N 27 113.110 113.110 114.571 -1.461 19579 807 1 2 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.900 -0.439 19579 808 1 2 . 1 1 27 27 VAL C C 27 179.366 179.366 178.081 1.285 19579 809 1 2 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.096 0.467 19579 810 1 2 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.086 1.009 19579 811 1 2 . 1 1 27 27 VAL H H 27 7.283 7.283 7.376 -0.093 19579 812 1 2 . 1 1 28 28 ASN N N 28 119.671 119.671 120.022 -0.351 19579 813 1 2 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.495 -0.140 19579 814 1 2 . 1 1 28 28 ASN C C 28 177.667 177.667 177.596 0.071 19579 815 1 2 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.112 -0.021 19579 816 1 2 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.910 0.410 19579 817 1 2 . 1 1 28 28 ASN H H 28 8.374 8.374 8.291 0.083 19579 818 1 2 . 1 1 29 29 ARG N N 29 116.957 116.957 119.712 -2.755 19579 819 1 2 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.179 -0.061 19579 820 1 2 . 1 1 29 29 ARG C C 29 177.457 177.457 177.847 -0.390 19579 821 1 2 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.973 0.722 19579 822 1 2 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.859 0.278 19579 823 1 2 . 1 1 29 29 ARG H H 29 7.860 7.860 7.639 0.221 19579 824 1 2 . 1 1 30 30 LEU N N 30 121.060 121.060 119.253 1.807 19579 825 1 2 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.179 -0.225 19579 826 1 2 . 1 1 30 30 LEU C C 30 174.975 174.975 178.302 -3.327 19579 827 1 2 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.401 -0.180 19579 828 1 2 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.719 -0.762 19579 829 1 2 . 1 1 30 30 LEU H H 30 7.524 7.524 7.862 -0.338 19579 830 1 2 . 1 1 31 31 SER N N 31 106.764 106.764 112.927 -6.163 19579 831 1 2 . 1 1 31 31 SER HA H 31 4.523 4.523 4.465 0.058 19579 832 1 2 . 1 1 31 31 SER C C 31 174.666 174.666 173.736 0.930 19579 833 1 2 . 1 1 31 31 SER CA C 31 57.680 57.680 58.379 -0.699 19579 834 1 2 . 1 1 31 31 SER CB C 31 63.290 63.290 61.317 1.973 19579 835 1 2 . 1 1 31 31 SER H H 31 7.046 7.046 8.077 -1.031 19579 836 1 2 . 1 1 32 32 SER N N 32 117.235 117.235 115.549 1.686 19579 837 1 2 . 1 1 32 32 SER HA H 32 4.383 4.383 4.708 -0.325 19579 838 1 2 . 1 1 32 32 SER C C 32 174.677 174.677 174.223 0.454 19579 839 1 2 . 1 1 32 32 SER CA C 32 58.027 58.027 56.633 1.393 19579 840 1 2 . 1 1 32 32 SER CB C 32 66.069 66.069 64.034 2.035 19579 841 1 2 . 1 1 32 32 SER H H 32 7.721 7.721 7.832 -0.111 19579 842 1 2 . 1 1 33 33 ALA N N 33 126.048 126.048 123.289 2.759 19579 843 1 2 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.229 -0.131 19579 844 1 2 . 1 1 33 33 ALA C C 33 180.822 180.822 179.172 1.650 19579 845 1 2 . 1 1 33 33 ALA CA C 33 54.741 54.741 53.920 0.821 19579 846 1 2 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.913 -0.884 19579 847 1 2 . 1 1 33 33 ALA H H 33 8.980 8.980 8.741 0.239 19579 848 1 2 . 1 1 34 34 GLU N N 34 117.978 117.978 120.111 -2.133 19579 849 1 2 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.950 -0.015 19579 850 1 2 . 1 1 34 34 GLU C C 34 178.560 178.560 178.800 -0.240 19579 851 1 2 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.209 1.165 19579 852 1 2 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.411 -0.598 19579 853 1 2 . 1 1 34 34 GLU H H 34 8.993 8.993 8.228 0.765 19579 854 1 2 . 1 1 35 35 ALA N N 35 123.748 123.748 121.944 1.804 19579 855 1 2 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.314 -0.263 19579 856 1 2 . 1 1 35 35 ALA C C 35 179.101 179.101 179.542 -0.441 19579 857 1 2 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.927 0.492 19579 858 1 2 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.427 0.857 19579 859 1 2 . 1 1 35 35 ALA H H 35 7.443 7.443 7.924 -0.481 19579 860 1 2 . 1 1 36 36 ALA N N 36 118.503 118.503 118.370 0.133 19579 861 1 2 . 1 1 36 36 ALA HA H 36 3.755 3.755 4.072 -0.318 19579 862 1 2 . 1 1 36 36 ALA C C 36 180.745 180.745 179.471 1.274 19579 863 1 2 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.714 0.827 19579 864 1 2 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.166 -1.140 19579 865 1 2 . 1 1 36 36 ALA H H 36 7.484 7.484 7.984 -0.500 19579 866 1 2 . 1 1 37 37 SER N N 37 114.688 114.688 113.896 0.792 19579 867 1 2 . 1 1 37 37 SER HA H 37 4.170 4.170 4.652 -0.482 19579 868 1 2 . 1 1 37 37 SER C C 37 177.214 177.214 175.906 1.308 19579 869 1 2 . 1 1 37 37 SER CA C 37 61.628 61.628 61.076 0.552 19579 870 1 2 . 1 1 37 37 SER CB C 37 62.653 62.653 64.218 -1.565 19579 871 1 2 . 1 1 37 37 SER H H 37 8.178 8.178 8.006 0.172 19579 872 1 2 . 1 1 38 38 ARG N N 38 123.817 123.817 122.522 1.295 19579 873 1 2 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.251 -0.247 19579 874 1 2 . 1 1 38 38 ARG C C 38 179.564 179.564 177.848 1.716 19579 875 1 2 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.167 1.490 19579 876 1 2 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.684 1.129 19579 877 1 2 . 1 1 38 38 ARG H H 38 7.882 7.882 7.919 -0.037 19579 878 1 2 . 1 1 39 39 VAL N N 39 120.446 120.446 118.261 2.185 19579 879 1 2 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.695 -0.366 19579 880 1 2 . 1 1 39 39 VAL C C 39 178.505 178.505 177.658 0.847 19579 881 1 2 . 1 1 39 39 VAL CA C 39 68.194 68.194 65.910 2.284 19579 882 1 2 . 1 1 39 39 VAL CB C 39 31.570 31.570 32.183 -0.613 19579 883 1 2 . 1 1 39 39 VAL H H 39 8.543 8.543 8.277 0.266 19579 884 1 2 . 1 1 40 40 SER N N 40 114.009 114.009 114.257 -0.248 19579 885 1 2 . 1 1 40 40 SER HA H 40 4.080 4.080 4.003 0.077 19579 886 1 2 . 1 1 40 40 SER C C 40 176.340 176.340 176.087 0.253 19579 887 1 2 . 1 1 40 40 SER CA C 40 62.940 62.940 61.492 1.448 19579 888 1 2 . 1 1 40 40 SER CB C 40 62.953 62.953 62.615 0.338 19579 889 1 2 . 1 1 40 40 SER H H 40 8.602 8.602 8.358 0.244 19579 890 1 2 . 1 1 41 41 SER N N 41 114.648 114.648 115.419 -0.771 19579 891 1 2 . 1 1 41 41 SER HA H 41 4.333 4.333 4.508 -0.175 19579 892 1 2 . 1 1 41 41 SER C C 41 174.390 174.390 174.833 -0.443 19579 893 1 2 . 1 1 41 41 SER CA C 41 60.828 60.828 59.674 1.154 19579 894 1 2 . 1 1 41 41 SER CB C 41 63.563 63.563 63.180 0.383 19579 895 1 2 . 1 1 41 41 SER H H 41 8.003 8.003 7.825 0.178 19579 896 1 2 . 1 1 42 42 ASN N N 42 117.849 117.849 119.285 -1.436 19579 897 1 2 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.851 0.113 19579 898 1 2 . 1 1 42 42 ASN C C 42 174.677 174.677 176.470 -1.793 19579 899 1 2 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.403 0.960 19579 900 1 2 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.556 1.710 19579 901 1 2 . 1 1 42 42 ASN H H 42 7.600 7.600 7.953 -0.353 19579 902 1 2 . 1 1 43 43 ILE N N 43 116.952 116.952 118.460 -1.508 19579 903 1 2 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.799 -0.128 19579 904 1 2 . 1 1 43 43 ILE C C 43 176.773 176.773 176.831 -0.058 19579 905 1 2 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.497 -0.270 19579 906 1 2 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.324 0.086 19579 907 1 2 . 1 1 43 43 ILE H H 43 7.336 7.336 8.568 -1.232 19579 908 1 2 . 1 1 44 44 ALA N N 44 122.396 122.396 121.709 0.687 19579 909 1 2 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.947 0.089 19579 910 1 2 . 1 1 44 44 ALA C C 44 180.304 180.304 178.634 1.670 19579 911 1 2 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.747 0.641 19579 912 1 2 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.108 -0.620 19579 913 1 2 . 1 1 44 44 ALA H H 44 8.617 8.617 8.354 0.263 19579 914 1 2 . 1 1 45 45 ALA N N 45 120.804 120.804 121.544 -0.740 19579 915 1 2 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.182 -0.129 19579 916 1 2 . 1 1 45 45 ALA C C 45 180.591 180.591 180.188 0.403 19579 917 1 2 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.567 0.185 19579 918 1 2 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.594 0.023 19579 919 1 2 . 1 1 45 45 ALA H H 45 7.913 7.913 7.629 0.284 19579 920 1 2 . 1 1 46 46 ILE N N 46 117.637 117.637 119.712 -2.075 19579 921 1 2 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.784 -0.156 19579 922 1 2 . 1 1 46 46 ILE C C 46 177.612 177.612 178.414 -0.802 19579 923 1 2 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.567 -1.288 19579 924 1 2 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.783 -0.123 19579 925 1 2 . 1 1 46 46 ILE H H 46 7.313 7.313 7.710 -0.397 19579 926 1 2 . 1 1 47 47 ALA N N 47 121.493 121.493 122.604 -1.111 19579 927 1 2 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.187 -0.243 19579 928 1 2 . 1 1 47 47 ALA C C 47 178.538 178.538 178.298 0.240 19579 929 1 2 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.694 0.693 19579 930 1 2 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.341 0.638 19579 931 1 2 . 1 1 47 47 ALA H H 47 8.413 8.413 8.619 -0.206 19579 932 1 2 . 1 1 48 48 SER N N 48 109.024 109.024 112.349 -3.325 19579 933 1 2 . 1 1 48 48 SER HA H 48 4.352 4.352 4.593 -0.241 19579 934 1 2 . 1 1 48 48 SER C C 48 176.056 176.056 174.666 1.390 19579 935 1 2 . 1 1 48 48 SER CA C 48 59.977 59.977 59.054 0.923 19579 936 1 2 . 1 1 48 48 SER CB C 48 63.838 63.838 64.058 -0.220 19579 937 1 2 . 1 1 48 48 SER H H 48 8.030 8.030 7.729 0.301 19579 938 1 2 . 1 1 49 49 GLY N N 49 108.121 108.121 108.398 -0.277 19579 939 1 2 . 1 1 49 49 GLY C C 49 174.820 174.820 174.419 0.401 19579 940 1 2 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.376 -0.183 19579 941 1 2 . 1 1 49 49 GLY H H 49 8.048 8.048 7.781 0.267 19579 942 1 2 . 1 1 50 50 GLY N N 50 111.955 111.955 108.712 3.243 19579 943 1 2 . 1 1 50 50 GLY C C 50 174.975 174.975 174.228 0.747 19579 944 1 2 . 1 1 50 50 GLY CA C 50 46.182 46.182 45.910 0.272 19579 945 1 2 . 1 1 50 50 GLY H H 50 8.409 8.409 8.386 0.023 19579 946 1 2 . 1 1 51 51 ALA N N 51 126.247 126.247 122.594 3.653 19579 947 1 2 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.566 -0.747 19579 948 1 2 . 1 1 51 51 ALA C C 51 179.697 179.697 178.821 0.876 19579 949 1 2 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.222 2.838 19579 950 1 2 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.214 -0.935 19579 951 1 2 . 1 1 51 51 ALA H H 51 9.119 9.119 8.063 1.056 19579 952 1 2 . 1 1 52 52 SER N N 52 111.975 111.975 115.781 -3.806 19579 953 1 2 . 1 1 52 52 SER HA H 52 4.222 4.222 4.190 0.032 19579 954 1 2 . 1 1 52 52 SER C C 52 174.983 174.983 175.259 -0.276 19579 955 1 2 . 1 1 52 52 SER CA C 52 60.814 60.814 60.530 0.284 19579 956 1 2 . 1 1 52 52 SER CB C 52 62.977 62.977 63.104 -0.127 19579 957 1 2 . 1 1 52 52 SER H H 52 8.231 8.231 8.571 -0.340 19579 958 1 2 . 1 1 53 53 ALA N N 53 122.484 122.484 121.804 0.680 19579 959 1 2 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.517 -0.115 19579 960 1 2 . 1 1 53 53 ALA C C 53 177.391 177.391 178.247 -0.856 19579 961 1 2 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.316 -0.189 19579 962 1 2 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.718 1.228 19579 963 1 2 . 1 1 53 53 ALA H H 53 7.602 7.602 7.959 -0.357 19579 964 1 2 . 1 1 54 54 LEU N N 54 117.414 117.414 120.324 -2.910 19579 965 1 2 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.114 -0.235 19579 966 1 2 . 1 1 54 54 LEU C C 54 174.434 174.434 176.032 -1.598 19579 967 1 2 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.720 0.595 19579 968 1 2 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.735 -0.115 19579 969 1 2 . 1 1 54 54 LEU H H 54 7.408 7.408 7.505 -0.097 19579 970 1 2 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.352 -0.161 19579 971 1 2 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.092 1.842 19579 972 1 2 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.083 -0.033 19579 973 1 2 . 1 1 56 56 SER N N 56 113.559 113.559 111.313 2.246 19579 974 1 2 . 1 1 56 56 SER HA H 56 4.234 4.234 4.514 -0.280 19579 975 1 2 . 1 1 56 56 SER C C 56 176.552 176.552 174.302 2.250 19579 976 1 2 . 1 1 56 56 SER CA C 56 61.233 61.233 59.327 1.906 19579 977 1 2 . 1 1 56 56 SER CB C 56 62.733 62.733 63.193 -0.460 19579 978 1 2 . 1 1 56 56 SER H H 56 7.834 7.834 7.454 0.380 19579 979 1 2 . 1 1 57 57 VAL N N 57 123.292 123.292 118.287 5.005 19579 980 1 2 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.461 -0.718 19579 981 1 2 . 1 1 57 57 VAL C C 57 178.042 178.042 176.377 1.665 19579 982 1 2 . 1 1 57 57 VAL CA C 57 66.460 66.460 62.904 3.555 19579 983 1 2 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.919 -2.151 19579 984 1 2 . 1 1 57 57 VAL H H 57 8.263 8.263 7.556 0.707 19579 985 1 2 . 1 1 58 58 ILE N N 58 118.510 118.510 121.679 -3.169 19579 986 1 2 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.678 0.006 19579 987 1 2 . 1 1 58 58 ILE C C 58 176.221 176.221 177.883 -1.662 19579 988 1 2 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.782 -1.700 19579 989 1 2 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.894 -0.545 19579 990 1 2 . 1 1 58 58 ILE H H 58 8.873 8.873 8.764 0.109 19579 991 1 2 . 1 1 59 59 SER N N 59 114.238 114.238 113.353 0.885 19579 992 1 2 . 1 1 59 59 SER HA H 59 4.305 4.305 4.541 -0.236 19579 993 1 2 . 1 1 59 59 SER C C 59 177.534 177.534 175.997 1.537 19579 994 1 2 . 1 1 59 59 SER CA C 59 61.586 61.586 60.641 0.945 19579 995 1 2 . 1 1 59 59 SER CB C 59 62.951 62.951 63.013 -0.062 19579 996 1 2 . 1 1 59 59 SER H H 59 7.388 7.388 8.596 -1.208 19579 997 1 2 . 1 1 60 60 ASN N N 60 120.810 120.810 120.799 0.011 19579 998 1 2 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.589 -0.229 19579 999 1 2 . 1 1 60 60 ASN C C 60 178.616 178.616 177.831 0.785 19579 1000 1 2 . 1 1 60 60 ASN CA C 60 56.715 56.715 56.209 0.506 19579 1001 1 2 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.277 0.719 19579 1002 1 2 . 1 1 60 60 ASN H H 60 8.147 8.147 7.605 0.542 19579 1003 1 2 . 1 1 61 61 ILE N N 61 121.116 121.116 121.274 -0.158 19579 1004 1 2 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.688 -0.167 19579 1005 1 2 . 1 1 61 61 ILE C C 61 176.972 176.972 177.678 -0.706 19579 1006 1 2 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.421 1.141 19579 1007 1 2 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.086 0.920 19579 1008 1 2 . 1 1 61 61 ILE H H 61 8.642 8.642 7.994 0.648 19579 1009 1 2 . 1 1 62 62 TYR N N 62 119.953 119.953 121.020 -1.067 19579 1010 1 2 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.993 -0.370 19579 1011 1 2 . 1 1 62 62 TYR C C 62 176.828 176.828 177.376 -0.548 19579 1012 1 2 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.251 0.832 19579 1013 1 2 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.267 0.708 19579 1014 1 2 . 1 1 62 62 TYR H H 62 9.192 9.192 8.306 0.886 19579 1015 1 2 . 1 1 63 63 SER N N 63 111.464 111.464 115.237 -3.773 19579 1016 1 2 . 1 1 63 63 SER HA H 63 4.035 4.035 4.032 0.003 19579 1017 1 2 . 1 1 63 63 SER C C 63 177.325 177.325 177.013 0.312 19579 1018 1 2 . 1 1 63 63 SER CA C 63 62.027 62.027 62.739 -0.712 19579 1019 1 2 . 1 1 63 63 SER CB C 63 62.565 62.565 62.814 -0.249 19579 1020 1 2 . 1 1 63 63 SER H H 63 8.320 8.320 7.911 0.409 19579 1021 1 2 . 1 1 64 64 GLY N N 64 110.383 110.383 109.671 0.712 19579 1022 1 2 . 1 1 64 64 GLY C C 64 175.581 175.581 175.597 -0.016 19579 1023 1 2 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.820 0.494 19579 1024 1 2 . 1 1 64 64 GLY H H 64 7.724 7.724 7.632 0.092 19579 1025 1 2 . 1 1 65 65 VAL N N 65 124.665 124.665 122.103 2.562 19579 1026 1 2 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.731 -0.487 19579 1027 1 2 . 1 1 65 65 VAL C C 65 180.072 180.072 177.640 2.432 19579 1028 1 2 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.835 1.169 19579 1029 1 2 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.880 -0.172 19579 1030 1 2 . 1 1 65 65 VAL H H 65 8.584 8.584 7.626 0.958 19579 1031 1 2 . 1 1 66 66 VAL N N 66 120.803 120.803 119.294 1.509 19579 1032 1 2 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.447 0.276 19579 1033 1 2 . 1 1 66 66 VAL C C 66 179.829 179.829 178.352 1.477 19579 1034 1 2 . 1 1 66 66 VAL CA C 66 66.215 66.215 66.303 -0.088 19579 1035 1 2 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.215 0.540 19579 1036 1 2 . 1 1 66 66 VAL H H 66 8.305 8.305 7.918 0.387 19579 1037 1 2 . 1 1 67 67 ALA N N 67 123.266 123.266 121.863 1.403 19579 1038 1 2 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.114 0.050 19579 1039 1 2 . 1 1 67 67 ALA C C 67 178.560 178.560 178.701 -0.141 19579 1040 1 2 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.525 -0.101 19579 1041 1 2 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.145 -0.134 19579 1042 1 2 . 1 1 67 67 ALA H H 67 7.979 7.979 7.958 0.021 19579 1043 1 2 . 1 1 68 68 SER N N 68 112.669 112.669 113.761 -1.092 19579 1044 1 2 . 1 1 68 68 SER HA H 68 4.436 4.436 4.327 0.109 19579 1045 1 2 . 1 1 68 68 SER C C 68 174.555 174.555 175.189 -0.634 19579 1046 1 2 . 1 1 68 68 SER CA C 68 59.634 59.634 59.131 0.503 19579 1047 1 2 . 1 1 68 68 SER CB C 68 63.943 63.943 63.676 0.267 19579 1048 1 2 . 1 1 68 68 SER H H 68 7.674 7.674 7.589 0.085 19579 1049 1 2 . 1 1 69 69 GLY N N 69 109.146 109.146 108.639 0.507 19579 1050 1 2 . 1 1 69 69 GLY C C 69 173.904 173.904 173.919 -0.015 19579 1051 1 2 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.653 0.578 19579 1052 1 2 . 1 1 69 69 GLY H H 69 7.939 7.939 7.656 0.283 19579 1053 1 2 . 1 1 70 70 VAL N N 70 119.926 119.926 120.050 -0.124 19579 1054 1 2 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.186 -0.276 19579 1055 1 2 . 1 1 70 70 VAL C C 70 174.997 174.997 175.808 -0.811 19579 1056 1 2 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.808 0.476 19579 1057 1 2 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.103 -0.679 19579 1058 1 2 . 1 1 70 70 VAL H H 70 6.723 6.723 7.413 -0.690 19579 1059 1 2 . 1 1 71 71 SER N N 71 120.581 120.581 119.719 0.862 19579 1060 1 2 . 1 1 71 71 SER HA H 71 4.386 4.386 4.475 -0.089 19579 1061 1 2 . 1 1 71 71 SER C C 71 175.559 175.559 175.518 0.041 19579 1062 1 2 . 1 1 71 71 SER CA C 71 58.441 58.441 58.134 0.307 19579 1063 1 2 . 1 1 71 71 SER CB C 71 64.632 64.632 64.087 0.545 19579 1064 1 2 . 1 1 71 71 SER H H 71 8.577 8.577 8.290 0.287 19579 1065 1 2 . 1 1 72 72 SER N N 72 117.898 117.898 119.781 -1.883 19579 1066 1 2 . 1 1 72 72 SER HA H 72 4.083 4.083 4.090 -0.007 19579 1067 1 2 . 1 1 72 72 SER C C 72 176.255 176.255 176.371 -0.116 19579 1068 1 2 . 1 1 72 72 SER CA C 72 61.586 61.586 62.218 -0.632 19579 1069 1 2 . 1 1 72 72 SER CB C 72 62.622 62.622 63.108 -0.486 19579 1070 1 2 . 1 1 72 72 SER H H 72 8.889 8.889 8.708 0.181 19579 1071 1 2 . 1 1 73 73 ASN N N 73 118.976 118.976 118.854 0.122 19579 1072 1 2 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.488 0.169 19579 1073 1 2 . 1 1 73 73 ASN C C 73 176.506 176.506 177.110 -0.604 19579 1074 1 2 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.482 0.579 19579 1075 1 2 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.380 -0.380 19579 1076 1 2 . 1 1 73 73 ASN H H 73 8.519 8.519 8.231 0.288 19579 1077 1 2 . 1 1 74 74 GLU N N 74 118.543 118.543 119.241 -0.698 19579 1078 1 2 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.084 0.026 19579 1079 1 2 . 1 1 74 74 GLU C C 74 176.994 176.994 178.221 -1.227 19579 1080 1 2 . 1 1 74 74 GLU CA C 74 58.026 58.026 59.413 -1.387 19579 1081 1 2 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.054 2.309 19579 1082 1 2 . 1 1 74 74 GLU H H 74 7.768 7.768 8.403 -0.635 19579 1083 1 2 . 1 1 75 75 ALA N N 75 121.901 121.901 124.153 -2.252 19579 1084 1 2 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.934 -0.244 19579 1085 1 2 . 1 1 75 75 ALA C C 75 178.318 178.318 179.094 -0.776 19579 1086 1 2 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.420 -0.192 19579 1087 1 2 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.361 0.280 19579 1088 1 2 . 1 1 75 75 ALA H H 75 8.069 8.069 8.423 -0.354 19579 1089 1 2 . 1 1 76 76 LEU N N 76 117.360 117.360 119.024 -1.664 19579 1090 1 2 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.187 -0.077 19579 1091 1 2 . 1 1 76 76 LEU C C 76 177.854 177.854 178.849 -0.995 19579 1092 1 2 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.666 0.348 19579 1093 1 2 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.028 -1.260 19579 1094 1 2 . 1 1 76 76 LEU H H 76 8.121 8.121 7.442 0.679 19579 1095 1 2 . 1 1 77 77 ILE N N 77 116.714 116.714 119.386 -2.672 19579 1096 1 2 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.644 -0.192 19579 1097 1 2 . 1 1 77 77 ILE C C 77 176.883 176.883 178.026 -1.143 19579 1098 1 2 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.902 -0.644 19579 1099 1 2 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.042 -0.300 19579 1100 1 2 . 1 1 77 77 ILE H H 77 7.607 7.607 7.423 0.184 19579 1101 1 2 . 1 1 78 78 GLN N N 78 119.338 119.338 119.928 -0.590 19579 1102 1 2 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.884 -0.252 19579 1103 1 2 . 1 1 78 78 GLN C C 78 177.521 177.521 178.310 -0.789 19579 1104 1 2 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.421 0.899 19579 1105 1 2 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.646 -0.471 19579 1106 1 2 . 1 1 78 78 GLN H H 78 8.119 8.119 8.754 -0.635 19579 1107 1 2 . 1 1 79 79 ALA N N 79 119.218 119.218 122.077 -2.859 19579 1108 1 2 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.028 -0.156 19579 1109 1 2 . 1 1 79 79 ALA C C 79 179.311 179.311 179.882 -0.571 19579 1110 1 2 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.148 -0.323 19579 1111 1 2 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.463 -0.644 19579 1112 1 2 . 1 1 79 79 ALA H H 79 8.639 8.639 7.819 0.820 19579 1113 1 2 . 1 1 80 80 LEU N N 80 116.262 116.262 118.347 -2.085 19579 1114 1 2 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.973 -0.074 19579 1115 1 2 . 1 1 80 80 LEU C C 80 178.914 178.914 179.109 -0.195 19579 1116 1 2 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.377 0.634 19579 1117 1 2 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.781 -0.166 19579 1118 1 2 . 1 1 80 80 LEU H H 80 8.450 8.450 7.619 0.831 19579 1119 1 2 . 1 1 81 81 LEU N N 81 118.995 118.995 119.991 -0.996 19579 1120 1 2 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.913 0.059 19579 1121 1 2 . 1 1 81 81 LEU C C 81 180.127 180.127 179.516 0.611 19579 1122 1 2 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.258 -0.275 19579 1123 1 2 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.239 1.304 19579 1124 1 2 . 1 1 81 81 LEU H H 81 8.151 8.151 8.499 -0.348 19579 1125 1 2 . 1 1 82 82 GLU N N 82 124.890 124.890 119.241 5.649 19579 1126 1 2 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.184 -0.551 19579 1127 1 2 . 1 1 82 82 GLU C C 82 178.505 178.505 179.158 -0.653 19579 1128 1 2 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.694 2.607 19579 1129 1 2 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.509 0.270 19579 1130 1 2 . 1 1 82 82 GLU H H 82 8.659 8.659 8.263 0.396 19579 1131 1 2 . 1 1 83 83 LEU N N 83 121.487 121.487 121.241 0.246 19579 1132 1 2 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.227 -0.407 19579 1133 1 2 . 1 1 83 83 LEU C C 83 178.163 178.163 178.463 -0.300 19579 1134 1 2 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.529 0.626 19579 1135 1 2 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.814 -0.180 19579 1136 1 2 . 1 1 83 83 LEU H H 83 8.658 8.658 7.447 1.211 19579 1137 1 2 . 1 1 84 84 LEU N N 84 118.904 118.904 118.940 -0.036 19579 1138 1 2 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.205 -0.419 19579 1139 1 2 . 1 1 84 84 LEU C C 84 178.064 178.064 178.461 -0.397 19579 1140 1 2 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.078 1.585 19579 1141 1 2 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.920 1.284 19579 1142 1 2 . 1 1 84 84 LEU H H 84 8.803 8.803 8.442 0.361 19579 1143 1 2 . 1 1 85 85 SER N N 85 114.347 114.347 114.615 -0.268 19579 1144 1 2 . 1 1 85 85 SER HA H 85 4.211 4.211 4.471 -0.260 19579 1145 1 2 . 1 1 85 85 SER C C 85 174.633 174.633 175.932 -1.299 19579 1146 1 2 . 1 1 85 85 SER CA C 85 62.957 62.957 59.895 3.062 19579 1147 1 2 . 1 1 85 85 SER CB C 85 62.947 62.947 64.188 -1.241 19579 1148 1 2 . 1 1 85 85 SER H H 85 7.879 7.879 7.973 -0.094 19579 1149 1 2 . 1 1 86 86 ALA N N 86 124.206 124.206 126.620 -2.414 19579 1150 1 2 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.130 -0.360 19579 1151 1 2 . 1 1 86 86 ALA C C 86 178.538 178.538 179.360 -0.822 19579 1152 1 2 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.339 0.027 19579 1153 1 2 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.516 -1.172 19579 1154 1 2 . 1 1 86 86 ALA H H 86 8.199 8.199 7.327 0.872 19579 1155 1 2 . 1 1 87 87 LEU N N 87 116.463 116.463 115.851 0.612 19579 1156 1 2 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.198 -0.377 19579 1157 1 2 . 1 1 87 87 LEU C C 87 178.709 178.709 178.662 0.047 19579 1158 1 2 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.714 0.640 19579 1159 1 2 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.328 2.267 19579 1160 1 2 . 1 1 87 87 LEU H H 87 8.140 8.140 7.486 0.654 19579 1161 1 2 . 1 1 88 88 VAL N N 88 118.854 118.854 120.486 -1.632 19579 1162 1 2 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.672 -0.269 19579 1163 1 2 . 1 1 88 88 VAL C C 88 177.766 177.766 177.953 -0.187 19579 1164 1 2 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.794 -0.129 19579 1165 1 2 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.361 0.086 19579 1166 1 2 . 1 1 88 88 VAL H H 88 8.716 8.716 7.603 1.113 19579 1167 1 2 . 1 1 89 89 HIS N N 89 121.227 121.227 119.857 1.370 19579 1168 1 2 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.297 -0.258 19579 1169 1 2 . 1 1 89 89 HIS C C 89 178.880 178.880 177.915 0.965 19579 1170 1 2 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.092 1.230 19579 1171 1 2 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.150 1.598 19579 1172 1 2 . 1 1 89 89 HIS H H 89 8.664 8.664 8.063 0.601 19579 1173 1 2 . 1 1 90 90 VAL N N 90 118.094 118.094 118.428 -0.334 19579 1174 1 2 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.916 -0.349 19579 1175 1 2 . 1 1 90 90 VAL C C 90 177.733 177.733 177.297 0.436 19579 1176 1 2 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.528 1.303 19579 1177 1 2 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.320 0.280 19579 1178 1 2 . 1 1 90 90 VAL H H 90 7.994 7.994 7.818 0.176 19579 1179 1 2 . 1 1 91 91 LEU N N 91 119.672 119.672 120.077 -0.405 19579 1180 1 2 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.066 -0.234 19579 1181 1 2 . 1 1 91 91 LEU C C 91 178.869 178.869 178.694 0.175 19579 1182 1 2 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.692 0.066 19579 1183 1 2 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.227 1.712 19579 1184 1 2 . 1 1 91 91 LEU H H 91 8.393 8.393 7.938 0.455 19579 1185 1 2 . 1 1 92 92 SER N N 92 113.554 113.554 114.068 -0.514 19579 1186 1 2 . 1 1 92 92 SER HA H 92 4.297 4.297 4.205 0.092 19579 1187 1 2 . 1 1 92 92 SER C C 92 174.500 174.500 175.745 -1.245 19579 1188 1 2 . 1 1 92 92 SER CA C 92 61.410 61.410 60.866 0.544 19579 1189 1 2 . 1 1 92 92 SER CB C 92 63.254 63.254 62.881 0.373 19579 1190 1 2 . 1 1 92 92 SER H H 92 7.900 7.900 7.746 0.154 19579 1191 1 2 . 1 1 93 93 SER N N 93 115.055 115.055 114.417 0.638 19579 1192 1 2 . 1 1 93 93 SER HA H 93 4.704 4.704 4.545 0.159 19579 1193 1 2 . 1 1 93 93 SER C C 93 173.044 173.044 174.322 -1.278 19579 1194 1 2 . 1 1 93 93 SER CA C 93 57.967 57.967 58.825 -0.858 19579 1195 1 2 . 1 1 93 93 SER CB C 93 64.574 64.574 64.509 0.065 19579 1196 1 2 . 1 1 93 93 SER H H 93 7.420 7.420 7.450 -0.030 19579 1197 1 2 . 1 1 94 94 ALA N N 94 124.504 124.504 124.540 -0.036 19579 1198 1 2 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.258 0.371 19579 1199 1 2 . 1 1 94 94 ALA C C 94 176.199 176.199 177.791 -1.592 19579 1200 1 2 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.476 -2.007 19579 1201 1 2 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.024 2.596 19579 1202 1 2 . 1 1 94 94 ALA H H 94 7.476 7.476 7.412 0.064 19579 1203 1 2 . 1 1 95 95 SER N N 95 115.739 115.739 112.887 2.852 19579 1204 1 2 . 1 1 95 95 SER HA H 95 4.758 4.758 4.072 0.686 19579 1205 1 2 . 1 1 95 95 SER C C 95 174.136 174.136 174.095 0.041 19579 1206 1 2 . 1 1 95 95 SER CA C 95 57.343 57.343 58.461 -1.117 19579 1207 1 2 . 1 1 95 95 SER CB C 95 63.303 63.303 61.236 2.067 19579 1208 1 2 . 1 1 95 95 SER H H 95 8.483 8.483 7.806 0.677 19579 1209 1 2 . 1 1 96 96 ILE N N 96 128.288 128.288 121.534 6.754 19579 1210 1 2 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.001 -0.008 19579 1211 1 2 . 1 1 96 96 ILE C C 96 175.868 175.868 176.136 -0.268 19579 1212 1 2 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.053 -0.691 19579 1213 1 2 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.736 -0.123 19579 1214 1 2 . 1 1 96 96 ILE H H 96 8.869 8.869 8.293 0.576 19579 1215 1 2 . 1 1 97 97 GLY N N 97 115.495 115.495 116.006 -0.511 19579 1216 1 2 . 1 1 97 97 GLY C C 97 173.022 173.022 173.662 -0.640 19579 1217 1 2 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.518 0.352 19579 1218 1 2 . 1 1 97 97 GLY H H 97 8.272 8.272 8.335 -0.063 19579 1219 1 2 . 1 1 98 98 ASN N N 98 120.819 120.819 119.138 1.681 19579 1220 1 2 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.751 -0.103 19579 1221 1 2 . 1 1 98 98 ASN C C 98 174.809 174.809 174.934 -0.125 19579 1222 1 2 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.895 0.531 19579 1223 1 2 . 1 1 98 98 ASN CB C 98 38.665 38.665 38.652 0.013 19579 1224 1 2 . 1 1 98 98 ASN H H 98 8.420 8.420 8.409 0.011 19579 1225 1 2 . 1 1 99 99 VAL N N 99 122.960 122.960 125.118 -2.158 19579 1226 1 2 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.226 -0.052 19579 1227 1 2 . 1 1 99 99 VAL C C 99 174.500 174.500 175.827 -1.327 19579 1228 1 2 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.068 -0.700 19579 1229 1 2 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.940 0.466 19579 1230 1 2 . 1 1 99 99 VAL H H 99 8.292 8.292 8.266 0.026 19579 1231 1 2 . 1 1 100 100 SER N N 100 120.723 120.723 118.032 2.691 19579 1232 1 2 . 1 1 100 100 SER HA H 100 4.756 4.756 4.603 0.153 19579 1233 1 2 . 1 1 100 100 SER C C 100 174.235 174.235 175.350 -1.115 19579 1234 1 2 . 1 1 100 100 SER CA C 100 56.687 56.687 57.548 -0.862 19579 1235 1 2 . 1 1 100 100 SER CB C 100 64.904 64.904 64.379 0.525 19579 1236 1 2 . 1 1 100 100 SER H H 100 8.644 8.644 8.445 0.199 19579 1237 1 2 . 1 1 101 101 SER N N 101 117.236 117.236 120.481 -3.245 19579 1238 1 2 . 1 1 101 101 SER HA H 101 4.130 4.130 4.535 -0.406 19579 1239 1 2 . 1 1 101 101 SER CA C 101 59.000 59.000 58.327 0.673 19579 1240 1 2 . 1 1 101 101 SER CB C 101 63.104 63.104 62.841 0.263 19579 1241 1 2 . 1 1 102 102 VAL N N 102 124.874 124.874 120.479 4.395 19579 1242 1 2 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.196 -0.375 19579 1243 1 2 . 1 1 102 102 VAL C C 102 177.545 177.545 175.283 2.262 19579 1244 1 2 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.128 2.454 19579 1245 1 2 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.669 -2.189 19579 1246 1 2 . 1 1 102 102 VAL H H 102 8.090 8.090 7.284 0.806 19579 1247 1 2 . 1 1 103 103 GLY N N 103 114.589 114.589 113.981 0.608 19579 1248 1 2 . 1 1 103 103 GLY C C 103 176.387 176.387 175.238 1.149 19579 1249 1 2 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.248 0.438 19579 1250 1 2 . 1 1 103 103 GLY H H 103 9.051 9.051 8.444 0.607 19579 1251 1 2 . 1 1 104 104 VAL N N 104 121.976 121.976 121.685 0.291 19579 1252 1 2 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.716 -0.368 19579 1253 1 2 . 1 1 104 104 VAL C C 104 176.045 176.045 177.199 -1.154 19579 1254 1 2 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.148 1.741 19579 1255 1 2 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.394 -0.129 19579 1256 1 2 . 1 1 104 104 VAL H H 104 7.753 7.753 8.076 -0.323 19579 1257 1 2 . 1 1 105 105 ASP N N 105 117.868 117.868 118.886 -1.018 19579 1258 1 2 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.325 -0.174 19579 1259 1 2 . 1 1 105 105 ASP C C 105 178.406 178.406 177.847 0.559 19579 1260 1 2 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.393 -0.683 19579 1261 1 2 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.809 -2.157 19579 1262 1 2 . 1 1 105 105 ASP H H 105 8.719 8.719 8.742 -0.023 19579 1263 1 2 . 1 1 106 106 SER N N 106 117.500 117.500 113.170 4.330 19579 1264 1 2 . 1 1 106 106 SER HA H 106 4.306 4.306 4.390 -0.084 19579 1265 1 2 . 1 1 106 106 SER C C 106 176.784 176.784 176.739 0.045 19579 1266 1 2 . 1 1 106 106 SER CA C 106 61.523 61.523 61.004 0.519 19579 1267 1 2 . 1 1 106 106 SER CB C 106 62.480 62.480 63.526 -1.046 19579 1268 1 2 . 1 1 106 106 SER H H 106 7.685 7.685 7.528 0.157 19579 1269 1 2 . 1 1 107 107 THR N N 107 121.741 121.741 120.534 1.207 19579 1270 1 2 . 1 1 107 107 THR HA H 107 4.373 4.373 4.027 0.346 19579 1271 1 2 . 1 1 107 107 THR C C 107 176.227 176.227 176.859 -0.632 19579 1272 1 2 . 1 1 107 107 THR CA C 107 66.648 66.648 66.626 0.022 19579 1273 1 2 . 1 1 107 107 THR CB C 107 66.884 66.884 68.802 -1.918 19579 1274 1 2 . 1 1 107 107 THR H H 107 8.024 8.024 7.564 0.460 19579 1275 1 2 . 1 1 108 108 LEU N N 108 122.175 122.175 121.141 1.034 19579 1276 1 2 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.929 -0.013 19579 1277 1 2 . 1 1 108 108 LEU C C 108 178.560 178.560 177.951 0.609 19579 1278 1 2 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.861 1.308 19579 1279 1 2 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.333 -0.304 19579 1280 1 2 . 1 1 108 108 LEU H H 108 8.475 8.475 8.553 -0.078 19579 1281 1 2 . 1 1 109 109 ASN N N 109 116.499 116.499 117.740 -1.241 19579 1282 1 2 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.630 -0.144 19579 1283 1 2 . 1 1 109 109 ASN C C 109 177.181 177.181 177.405 -0.224 19579 1284 1 2 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.809 0.690 19579 1285 1 2 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.581 0.404 19579 1286 1 2 . 1 1 109 109 ASN H H 109 7.567 7.567 7.624 -0.057 19579 1287 1 2 . 1 1 110 110 VAL N N 110 121.382 121.382 120.023 1.359 19579 1288 1 2 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.761 0.116 19579 1289 1 2 . 1 1 110 110 VAL C C 110 180.116 180.116 177.586 2.530 19579 1290 1 2 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.438 -0.202 19579 1291 1 2 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.724 -0.164 19579 1292 1 2 . 1 1 110 110 VAL H H 110 7.978 7.978 7.675 0.303 19579 1293 1 2 . 1 1 111 111 VAL N N 111 123.748 123.748 120.119 3.629 19579 1294 1 2 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.611 -0.253 19579 1295 1 2 . 1 1 111 111 VAL C C 111 177.424 177.424 177.063 0.361 19579 1296 1 2 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.712 2.470 19579 1297 1 2 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.785 -0.679 19579 1298 1 2 . 1 1 111 111 VAL H H 111 8.228 8.228 7.530 0.698 19579 1299 1 2 . 1 1 112 112 GLN N N 112 120.331 120.331 118.993 1.338 19579 1300 1 2 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.869 -0.271 19579 1301 1 2 . 1 1 112 112 GLN C C 112 178.329 178.329 178.392 -0.063 19579 1302 1 2 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.450 0.859 19579 1303 1 2 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.293 1.848 19579 1304 1 2 . 1 1 112 112 GLN H H 112 8.719 8.719 7.701 1.018 19579 1305 1 2 . 1 1 113 113 ASP N N 113 117.931 117.931 118.032 -0.101 19579 1306 1 2 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.493 -0.143 19579 1307 1 2 . 1 1 113 113 ASP C C 113 178.406 178.406 177.385 1.021 19579 1308 1 2 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.261 0.767 19579 1309 1 2 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.753 0.541 19579 1310 1 2 . 1 1 113 113 ASP H H 113 8.410 8.410 7.893 0.517 19579 1311 1 2 . 1 1 114 114 SER N N 114 113.798 113.798 114.578 -0.780 19579 1312 1 2 . 1 1 114 114 SER HA H 114 4.310 4.310 4.440 -0.130 19579 1313 1 2 . 1 1 114 114 SER C C 114 175.416 175.416 175.574 -0.158 19579 1314 1 2 . 1 1 114 114 SER CA C 114 61.981 61.981 60.826 1.155 19579 1315 1 2 . 1 1 114 114 SER CB C 114 63.618 63.618 64.534 -0.916 19579 1316 1 2 . 1 1 114 114 SER H H 114 7.973 7.973 7.531 0.442 19579 1317 1 2 . 1 1 115 115 VAL N N 115 115.306 115.306 120.794 -5.488 19579 1318 1 2 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.396 -0.189 19579 1319 1 2 . 1 1 115 115 VAL C C 115 177.325 177.325 176.895 0.430 19579 1320 1 2 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.888 1.376 19579 1321 1 2 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.167 0.200 19579 1322 1 2 . 1 1 115 115 VAL H H 115 8.090 8.090 8.207 -0.117 19579 1323 1 2 . 1 1 116 116 GLY N N 116 107.952 107.952 109.353 -1.401 19579 1324 1 2 . 1 1 116 116 GLY C C 116 175.129 175.129 174.736 0.393 19579 1325 1 2 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.457 0.373 19579 1326 1 2 . 1 1 116 116 GLY H H 116 7.991 7.991 8.086 -0.095 19579 1327 1 2 . 1 1 117 117 GLN N N 117 116.191 116.191 117.931 -1.740 19579 1328 1 2 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.157 -0.104 19579 1329 1 2 . 1 1 117 117 GLN C C 117 176.056 176.056 176.021 0.035 19579 1330 1 2 . 1 1 117 117 GLN CA C 117 57.056 57.056 56.950 0.106 19579 1331 1 2 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.643 0.849 19579 1332 1 2 . 1 1 117 117 GLN H H 117 7.721 7.721 7.898 -0.177 19579 1333 1 2 . 1 1 118 118 TYR N N 118 116.504 116.504 118.654 -2.150 19579 1334 1 2 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.451 -0.225 19579 1335 1 2 . 1 1 118 118 TYR C C 118 174.919 174.919 177.612 -2.693 19579 1336 1 2 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.349 -0.698 19579 1337 1 2 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.822 -0.830 19579 1338 1 2 . 1 1 118 118 TYR H H 118 7.685 7.685 7.763 -0.078 19579 1339 1 2 . 1 1 119 119 VAL N N 119 115.145 115.145 117.541 -2.396 19579 1340 1 2 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.954 0.240 19579 1341 1 2 . 1 1 119 119 VAL C C 119 174.666 174.666 177.201 -2.535 19579 1342 1 2 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.970 -2.008 19579 1343 1 2 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.978 0.639 19579 1344 1 2 . 1 1 119 119 VAL H H 119 7.132 7.132 7.779 -0.647 19579 1345 1 3 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.816 0.060 19579 1346 1 3 . 1 1 -2 -2 ASN N N -2 118.808 118.808 123.173 -4.365 19579 1347 1 3 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.389 0.795 19579 1348 1 3 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.905 0.494 19579 1349 1 3 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.239 0.068 19579 1350 1 3 . 1 1 2 2 THR N N 2 116.876 116.876 119.147 -2.271 19579 1351 1 3 . 1 1 2 2 THR HA H 2 4.348 4.348 4.855 -0.507 19579 1352 1 3 . 1 1 2 2 THR C C 2 174.600 174.600 173.188 1.412 19579 1353 1 3 . 1 1 2 2 THR CA C 2 61.785 61.785 61.649 0.136 19579 1354 1 3 . 1 1 2 2 THR CB C 2 69.800 69.800 69.906 -0.105 19579 1355 1 3 . 1 1 2 2 THR H H 2 8.176 8.176 8.133 0.043 19579 1356 1 3 . 1 1 3 3 SER N N 3 117.968 117.968 116.296 1.672 19579 1357 1 3 . 1 1 3 3 SER C C 3 174.732 174.732 172.997 1.735 19579 1358 1 3 . 1 1 3 3 SER CA C 3 58.585 58.585 58.124 0.461 19579 1359 1 3 . 1 1 3 3 SER H H 3 8.248 8.248 8.456 -0.208 19579 1360 1 3 . 1 1 5 5 GLY N N 5 108.381 108.381 112.188 -3.807 19579 1361 1 3 . 1 1 5 5 GLY C C 5 173.728 173.728 173.094 0.634 19579 1362 1 3 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.239 -0.024 19579 1363 1 3 . 1 1 5 5 GLY H H 5 8.134 8.134 8.610 -0.476 19579 1364 1 3 . 1 1 6 6 TYR N N 6 120.011 120.011 118.963 1.048 19579 1365 1 3 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.805 -0.341 19579 1366 1 3 . 1 1 6 6 TYR C C 6 176.232 176.232 174.953 1.279 19579 1367 1 3 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.216 0.959 19579 1368 1 3 . 1 1 6 6 TYR CB C 6 38.764 38.764 37.973 0.791 19579 1369 1 3 . 1 1 6 6 TYR H H 6 8.096 8.096 7.415 0.681 19579 1370 1 3 . 1 1 7 7 GLY N N 7 110.530 110.530 108.242 2.288 19579 1371 1 3 . 1 1 7 7 GLY C C 7 173.772 173.772 173.097 0.675 19579 1372 1 3 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.720 0.502 19579 1373 1 3 . 1 1 7 7 GLY H H 7 8.283 8.283 8.378 -0.095 19579 1374 1 3 . 1 1 8 8 TYR N N 8 120.132 120.132 117.756 2.376 19579 1375 1 3 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.984 -0.501 19579 1376 1 3 . 1 1 8 8 TYR C C 8 176.420 176.420 175.315 1.105 19579 1377 1 3 . 1 1 8 8 TYR CA C 8 58.334 58.334 55.705 2.630 19579 1378 1 3 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.735 -0.990 19579 1379 1 3 . 1 1 8 8 TYR H H 8 7.987 7.987 7.490 0.497 19579 1380 1 3 . 1 1 9 9 GLY N N 9 110.831 110.831 108.086 2.745 19579 1381 1 3 . 1 1 9 9 GLY C C 9 174.335 174.335 173.404 0.931 19579 1382 1 3 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.057 0.392 19579 1383 1 3 . 1 1 9 9 GLY H H 9 8.400 8.400 8.599 -0.199 19579 1384 1 3 . 1 1 10 10 THR N N 10 113.216 113.216 116.428 -3.212 19579 1385 1 3 . 1 1 10 10 THR HA H 10 4.366 4.366 4.720 -0.354 19579 1386 1 3 . 1 1 10 10 THR C C 10 174.721 174.721 174.543 0.178 19579 1387 1 3 . 1 1 10 10 THR CA C 10 61.829 61.829 60.773 1.056 19579 1388 1 3 . 1 1 10 10 THR CB C 10 69.881 69.881 70.320 -0.439 19579 1389 1 3 . 1 1 10 10 THR H H 10 8.012 8.012 8.302 -0.290 19579 1390 1 3 . 1 1 11 11 SER N N 11 117.904 117.904 122.848 -4.944 19579 1391 1 3 . 1 1 11 11 SER HA H 11 4.414 4.414 4.376 0.038 19579 1392 1 3 . 1 1 11 11 SER C C 11 174.335 174.335 174.281 0.054 19579 1393 1 3 . 1 1 11 11 SER CA C 11 58.363 58.363 59.408 -1.045 19579 1394 1 3 . 1 1 11 11 SER CB C 11 63.911 63.911 63.700 0.211 19579 1395 1 3 . 1 1 11 11 SER H H 11 8.342 8.342 8.755 -0.413 19579 1396 1 3 . 1 1 12 12 ALA N N 12 126.003 126.003 127.569 -1.566 19579 1397 1 3 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.598 -0.360 19579 1398 1 3 . 1 1 12 12 ALA C C 12 177.468 177.468 177.611 -0.143 19579 1399 1 3 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.955 0.817 19579 1400 1 3 . 1 1 12 12 ALA CB C 12 19.088 19.088 20.522 -1.434 19579 1401 1 3 . 1 1 12 12 ALA H H 12 8.274 8.274 8.394 -0.120 19579 1402 1 3 . 1 1 13 13 ALA N N 13 122.954 122.954 126.600 -3.646 19579 1403 1 3 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.147 0.078 19579 1404 1 3 . 1 1 13 13 ALA C C 13 178.207 178.207 178.513 -0.306 19579 1405 1 3 . 1 1 13 13 ALA CA C 13 52.579 52.579 53.535 -0.956 19579 1406 1 3 . 1 1 13 13 ALA CB C 13 19.291 19.291 18.779 0.513 19579 1407 1 3 . 1 1 13 13 ALA H H 13 8.121 8.121 8.898 -0.777 19579 1408 1 3 . 1 1 14 14 ALA N N 14 123.733 123.733 120.534 3.199 19579 1409 1 3 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.218 0.039 19579 1410 1 3 . 1 1 14 14 ALA C C 14 178.227 178.227 178.413 -0.186 19579 1411 1 3 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.316 0.432 19579 1412 1 3 . 1 1 14 14 ALA CB C 14 19.276 19.276 18.923 0.353 19579 1413 1 3 . 1 1 14 14 ALA H H 14 8.262 8.262 7.719 0.543 19579 1414 1 3 . 1 1 15 15 GLY N N 15 108.014 108.014 108.457 -0.443 19579 1415 1 3 . 1 1 15 15 GLY C C 15 173.849 173.849 173.574 0.275 19579 1416 1 3 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.126 0.185 19579 1417 1 3 . 1 1 15 15 GLY H H 15 8.239 8.239 7.829 0.410 19579 1418 1 3 . 1 1 16 16 ALA N N 16 123.529 123.529 123.626 -0.097 19579 1419 1 3 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.626 -0.328 19579 1420 1 3 . 1 1 16 16 ALA C C 16 178.108 178.108 175.595 2.513 19579 1421 1 3 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.427 1.284 19579 1422 1 3 . 1 1 16 16 ALA CB C 16 19.316 19.316 22.080 -2.764 19579 1423 1 3 . 1 1 16 16 ALA H H 16 8.102 8.102 7.846 0.256 19579 1424 1 3 . 1 1 17 17 GLY N N 17 108.099 108.099 107.481 0.618 19579 1425 1 3 . 1 1 17 17 GLY C C 17 174.081 174.081 174.185 -0.104 19579 1426 1 3 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.009 0.226 19579 1427 1 3 . 1 1 17 17 GLY H H 17 8.356 8.356 8.545 -0.189 19579 1428 1 3 . 1 1 18 18 VAL N N 18 119.220 119.220 121.262 -2.042 19579 1429 1 3 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.119 -0.052 19579 1430 1 3 . 1 1 18 18 VAL C C 18 175.946 175.946 175.995 -0.049 19579 1431 1 3 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.977 0.306 19579 1432 1 3 . 1 1 18 18 VAL CB C 18 32.764 32.764 31.962 0.802 19579 1433 1 3 . 1 1 18 18 VAL H H 18 7.899 7.899 7.556 0.343 19579 1434 1 3 . 1 1 19 19 ALA N N 19 127.804 127.804 120.617 7.187 19579 1435 1 3 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.878 0.409 19579 1436 1 3 . 1 1 19 19 ALA C C 19 177.303 177.303 176.739 0.564 19579 1437 1 3 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.285 -0.825 19579 1438 1 3 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.220 2.079 19579 1439 1 3 . 1 1 19 19 ALA H H 19 8.377 8.377 8.363 0.014 19579 1440 1 3 . 1 1 20 20 ALA N N 20 123.602 123.602 119.572 4.030 19579 1441 1 3 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.224 0.055 19579 1442 1 3 . 1 1 20 20 ALA C C 20 178.086 178.086 176.831 1.255 19579 1443 1 3 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.937 0.815 19579 1444 1 3 . 1 1 20 20 ALA CB C 20 19.315 19.315 19.466 -0.151 19579 1445 1 3 . 1 1 20 20 ALA H H 20 8.261 8.261 8.275 -0.014 19579 1446 1 3 . 1 1 21 21 GLY N N 21 108.033 108.033 104.122 3.911 19579 1447 1 3 . 1 1 21 21 GLY C C 21 174.213 174.213 172.958 1.255 19579 1448 1 3 . 1 1 21 21 GLY CA C 21 45.291 45.291 45.144 0.147 19579 1449 1 3 . 1 1 21 21 GLY H H 21 8.323 8.323 8.426 -0.103 19579 1450 1 3 . 1 1 22 22 SER N N 22 115.596 115.596 115.020 0.576 19579 1451 1 3 . 1 1 22 22 SER HA H 22 4.369 4.369 4.721 -0.352 19579 1452 1 3 . 1 1 22 22 SER C C 22 175.328 175.328 172.676 2.652 19579 1453 1 3 . 1 1 22 22 SER CA C 22 58.686 58.686 57.910 0.776 19579 1454 1 3 . 1 1 22 22 SER CB C 22 63.915 63.915 64.239 -0.324 19579 1455 1 3 . 1 1 22 22 SER H H 22 8.118 8.118 8.044 0.074 19579 1456 1 3 . 1 1 23 23 TYR N N 23 121.490 121.490 119.299 2.191 19579 1457 1 3 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.587 -0.818 19579 1458 1 3 . 1 1 23 23 TYR C C 23 175.890 175.890 174.592 1.298 19579 1459 1 3 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.012 1.712 19579 1460 1 3 . 1 1 23 23 TYR CB C 23 37.863 37.863 38.731 -0.868 19579 1461 1 3 . 1 1 23 23 TYR H H 23 8.620 8.620 7.503 1.117 19579 1462 1 3 . 1 1 24 24 ALA N N 24 121.940 121.940 127.107 -5.167 19579 1463 1 3 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.750 -0.869 19579 1464 1 3 . 1 1 24 24 ALA C C 24 179.366 179.366 177.651 1.715 19579 1465 1 3 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.528 3.865 19579 1466 1 3 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.764 -2.224 19579 1467 1 3 . 1 1 24 24 ALA H H 24 8.127 8.127 9.076 -0.949 19579 1468 1 3 . 1 1 25 25 GLY N N 25 106.527 106.527 108.998 -2.471 19579 1469 1 3 . 1 1 25 25 GLY C C 25 175.074 175.074 175.357 -0.283 19579 1470 1 3 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.987 0.210 19579 1471 1 3 . 1 1 25 25 GLY H H 25 8.647 8.647 8.015 0.632 19579 1472 1 3 . 1 1 26 26 ALA N N 26 122.752 122.752 124.329 -1.577 19579 1473 1 3 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.183 -0.156 19579 1474 1 3 . 1 1 26 26 ALA C C 26 177.490 177.490 179.310 -1.820 19579 1475 1 3 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.160 -0.624 19579 1476 1 3 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.234 0.742 19579 1477 1 3 . 1 1 26 26 ALA H H 26 7.552 7.552 8.317 -0.765 19579 1478 1 3 . 1 1 27 27 VAL N N 27 113.110 113.110 115.219 -2.109 19579 1479 1 3 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.813 -0.352 19579 1480 1 3 . 1 1 27 27 VAL C C 27 179.366 179.366 178.019 1.347 19579 1481 1 3 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.185 0.378 19579 1482 1 3 . 1 1 27 27 VAL CB C 27 32.095 32.095 30.879 1.216 19579 1483 1 3 . 1 1 27 27 VAL H H 27 7.283 7.283 7.833 -0.550 19579 1484 1 3 . 1 1 28 28 ASN N N 28 119.671 119.671 119.023 0.648 19579 1485 1 3 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.531 -0.176 19579 1486 1 3 . 1 1 28 28 ASN C C 28 177.667 177.667 178.001 -0.334 19579 1487 1 3 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.840 0.251 19579 1488 1 3 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.898 0.422 19579 1489 1 3 . 1 1 28 28 ASN H H 28 8.374 8.374 7.875 0.499 19579 1490 1 3 . 1 1 29 29 ARG N N 29 116.957 116.957 119.998 -3.041 19579 1491 1 3 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.192 -0.074 19579 1492 1 3 . 1 1 29 29 ARG C C 29 177.457 177.457 178.368 -0.911 19579 1493 1 3 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.146 0.549 19579 1494 1 3 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.915 0.222 19579 1495 1 3 . 1 1 29 29 ARG H H 29 7.860 7.860 7.902 -0.042 19579 1496 1 3 . 1 1 30 30 LEU N N 30 121.060 121.060 118.741 2.319 19579 1497 1 3 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.198 -0.244 19579 1498 1 3 . 1 1 30 30 LEU C C 30 174.975 174.975 177.416 -2.441 19579 1499 1 3 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.351 0.871 19579 1500 1 3 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.901 -0.943 19579 1501 1 3 . 1 1 30 30 LEU H H 30 7.524 7.524 7.584 -0.060 19579 1502 1 3 . 1 1 31 31 SER N N 31 106.764 106.764 112.732 -5.968 19579 1503 1 3 . 1 1 31 31 SER HA H 31 4.523 4.523 4.546 -0.023 19579 1504 1 3 . 1 1 31 31 SER C C 31 174.666 174.666 174.020 0.646 19579 1505 1 3 . 1 1 31 31 SER CA C 31 57.680 57.680 58.875 -1.195 19579 1506 1 3 . 1 1 31 31 SER CB C 31 63.290 63.290 62.988 0.302 19579 1507 1 3 . 1 1 31 31 SER H H 31 7.046 7.046 7.665 -0.619 19579 1508 1 3 . 1 1 32 32 SER N N 32 117.235 117.235 115.654 1.581 19579 1509 1 3 . 1 1 32 32 SER HA H 32 4.383 4.383 4.739 -0.356 19579 1510 1 3 . 1 1 32 32 SER C C 32 174.677 174.677 174.699 -0.022 19579 1511 1 3 . 1 1 32 32 SER CA C 32 58.027 58.027 56.471 1.556 19579 1512 1 3 . 1 1 32 32 SER CB C 32 66.069 66.069 64.541 1.528 19579 1513 1 3 . 1 1 32 32 SER H H 32 7.721 7.721 7.363 0.358 19579 1514 1 3 . 1 1 33 33 ALA N N 33 126.048 126.048 126.073 -0.025 19579 1515 1 3 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.068 0.030 19579 1516 1 3 . 1 1 33 33 ALA C C 33 180.822 180.822 179.681 1.141 19579 1517 1 3 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.794 -0.053 19579 1518 1 3 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.695 -0.666 19579 1519 1 3 . 1 1 33 33 ALA H H 33 8.980 8.980 8.847 0.133 19579 1520 1 3 . 1 1 34 34 GLU N N 34 117.978 117.978 119.130 -1.152 19579 1521 1 3 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.929 0.006 19579 1522 1 3 . 1 1 34 34 GLU C C 34 178.560 178.560 178.554 0.006 19579 1523 1 3 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.284 1.090 19579 1524 1 3 . 1 1 34 34 GLU CB C 34 28.813 28.813 28.978 -0.165 19579 1525 1 3 . 1 1 34 34 GLU H H 34 8.993 8.993 7.944 1.049 19579 1526 1 3 . 1 1 35 35 ALA N N 35 123.748 123.748 121.905 1.843 19579 1527 1 3 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.254 -0.203 19579 1528 1 3 . 1 1 35 35 ALA C C 35 179.101 179.101 179.510 -0.409 19579 1529 1 3 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.915 0.504 19579 1530 1 3 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.102 1.182 19579 1531 1 3 . 1 1 35 35 ALA H H 35 7.443 7.443 7.928 -0.485 19579 1532 1 3 . 1 1 36 36 ALA N N 36 118.503 118.503 120.269 -1.766 19579 1533 1 3 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.945 -0.190 19579 1534 1 3 . 1 1 36 36 ALA C C 36 180.745 180.745 179.915 0.830 19579 1535 1 3 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.040 0.501 19579 1536 1 3 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.163 -1.137 19579 1537 1 3 . 1 1 36 36 ALA H H 36 7.484 7.484 7.782 -0.298 19579 1538 1 3 . 1 1 37 37 SER N N 37 114.688 114.688 114.076 0.612 19579 1539 1 3 . 1 1 37 37 SER HA H 37 4.170 4.170 4.205 -0.035 19579 1540 1 3 . 1 1 37 37 SER C C 37 177.214 177.214 176.838 0.376 19579 1541 1 3 . 1 1 37 37 SER CA C 37 61.628 61.628 62.198 -0.570 19579 1542 1 3 . 1 1 37 37 SER CB C 37 62.653 62.653 63.078 -0.425 19579 1543 1 3 . 1 1 37 37 SER H H 37 8.178 8.178 8.127 0.051 19579 1544 1 3 . 1 1 38 38 ARG N N 38 123.817 123.817 121.821 1.996 19579 1545 1 3 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.123 -0.119 19579 1546 1 3 . 1 1 38 38 ARG C C 38 179.564 179.564 178.590 0.974 19579 1547 1 3 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.053 1.603 19579 1548 1 3 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.422 1.391 19579 1549 1 3 . 1 1 38 38 ARG H H 38 7.882 7.882 7.651 0.231 19579 1550 1 3 . 1 1 39 39 VAL N N 39 120.446 120.446 119.820 0.626 19579 1551 1 3 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.642 -0.313 19579 1552 1 3 . 1 1 39 39 VAL C C 39 178.505 178.505 177.569 0.936 19579 1553 1 3 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.770 1.424 19579 1554 1 3 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.696 -0.126 19579 1555 1 3 . 1 1 39 39 VAL H H 39 8.543 8.543 8.496 0.047 19579 1556 1 3 . 1 1 40 40 SER N N 40 114.009 114.009 114.003 0.006 19579 1557 1 3 . 1 1 40 40 SER HA H 40 4.080 4.080 3.997 0.083 19579 1558 1 3 . 1 1 40 40 SER C C 40 176.340 176.340 175.994 0.346 19579 1559 1 3 . 1 1 40 40 SER CA C 40 62.940 62.940 61.642 1.298 19579 1560 1 3 . 1 1 40 40 SER CB C 40 62.953 62.953 62.844 0.109 19579 1561 1 3 . 1 1 40 40 SER H H 40 8.602 8.602 8.033 0.569 19579 1562 1 3 . 1 1 41 41 SER N N 41 114.648 114.648 113.729 0.919 19579 1563 1 3 . 1 1 41 41 SER HA H 41 4.333 4.333 4.439 -0.106 19579 1564 1 3 . 1 1 41 41 SER C C 41 174.390 174.390 174.951 -0.561 19579 1565 1 3 . 1 1 41 41 SER CA C 41 60.828 60.828 59.445 1.383 19579 1566 1 3 . 1 1 41 41 SER CB C 41 63.563 63.563 62.988 0.575 19579 1567 1 3 . 1 1 41 41 SER H H 41 8.003 8.003 7.606 0.397 19579 1568 1 3 . 1 1 42 42 ASN N N 42 117.849 117.849 119.807 -1.958 19579 1569 1 3 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.846 0.118 19579 1570 1 3 . 1 1 42 42 ASN C C 42 174.677 174.677 177.236 -2.559 19579 1571 1 3 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.522 0.841 19579 1572 1 3 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.199 2.067 19579 1573 1 3 . 1 1 42 42 ASN H H 42 7.600 7.600 7.748 -0.148 19579 1574 1 3 . 1 1 43 43 ILE N N 43 116.952 116.952 117.796 -0.844 19579 1575 1 3 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.793 -0.122 19579 1576 1 3 . 1 1 43 43 ILE C C 43 176.773 176.773 176.895 -0.122 19579 1577 1 3 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.377 -0.150 19579 1578 1 3 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.239 0.171 19579 1579 1 3 . 1 1 43 43 ILE H H 43 7.336 7.336 8.673 -1.337 19579 1580 1 3 . 1 1 44 44 ALA N N 44 122.396 122.396 121.838 0.558 19579 1581 1 3 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.957 0.079 19579 1582 1 3 . 1 1 44 44 ALA C C 44 180.304 180.304 178.605 1.699 19579 1583 1 3 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.732 0.656 19579 1584 1 3 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.088 -0.600 19579 1585 1 3 . 1 1 44 44 ALA H H 44 8.617 8.617 8.405 0.212 19579 1586 1 3 . 1 1 45 45 ALA N N 45 120.804 120.804 121.430 -0.626 19579 1587 1 3 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.213 -0.160 19579 1588 1 3 . 1 1 45 45 ALA C C 45 180.591 180.591 180.166 0.425 19579 1589 1 3 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.467 0.285 19579 1590 1 3 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.684 -0.067 19579 1591 1 3 . 1 1 45 45 ALA H H 45 7.913 7.913 7.691 0.222 19579 1592 1 3 . 1 1 46 46 ILE N N 46 117.637 117.637 119.967 -2.330 19579 1593 1 3 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.767 -0.139 19579 1594 1 3 . 1 1 46 46 ILE C C 46 177.612 177.612 178.452 -0.840 19579 1595 1 3 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.662 -1.383 19579 1596 1 3 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.768 -0.108 19579 1597 1 3 . 1 1 46 46 ILE H H 46 7.313 7.313 7.656 -0.343 19579 1598 1 3 . 1 1 47 47 ALA N N 47 121.493 121.493 122.484 -0.991 19579 1599 1 3 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.185 -0.241 19579 1600 1 3 . 1 1 47 47 ALA C C 47 178.538 178.538 178.300 0.238 19579 1601 1 3 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.690 0.697 19579 1602 1 3 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.349 0.630 19579 1603 1 3 . 1 1 47 47 ALA H H 47 8.413 8.413 8.587 -0.174 19579 1604 1 3 . 1 1 48 48 SER N N 48 109.024 109.024 112.269 -3.245 19579 1605 1 3 . 1 1 48 48 SER HA H 48 4.352 4.352 4.588 -0.236 19579 1606 1 3 . 1 1 48 48 SER C C 48 176.056 176.056 174.711 1.345 19579 1607 1 3 . 1 1 48 48 SER CA C 48 59.977 59.977 59.052 0.925 19579 1608 1 3 . 1 1 48 48 SER CB C 48 63.838 63.838 64.104 -0.266 19579 1609 1 3 . 1 1 48 48 SER H H 48 8.030 8.030 7.758 0.272 19579 1610 1 3 . 1 1 49 49 GLY N N 49 108.121 108.121 107.863 0.258 19579 1611 1 3 . 1 1 49 49 GLY C C 49 174.820 174.820 174.988 -0.168 19579 1612 1 3 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.372 -0.179 19579 1613 1 3 . 1 1 49 49 GLY H H 49 8.048 8.048 7.627 0.421 19579 1614 1 3 . 1 1 50 50 GLY N N 50 111.955 111.955 109.809 2.146 19579 1615 1 3 . 1 1 50 50 GLY C C 50 174.975 174.975 174.044 0.931 19579 1616 1 3 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.196 -0.014 19579 1617 1 3 . 1 1 50 50 GLY H H 50 8.409 8.409 8.420 -0.011 19579 1618 1 3 . 1 1 51 51 ALA N N 51 126.247 126.247 122.757 3.490 19579 1619 1 3 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.440 -0.621 19579 1620 1 3 . 1 1 51 51 ALA C C 51 179.697 179.697 178.924 0.773 19579 1621 1 3 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.541 2.519 19579 1622 1 3 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.906 -1.627 19579 1623 1 3 . 1 1 51 51 ALA H H 51 9.119 9.119 7.374 1.745 19579 1624 1 3 . 1 1 52 52 SER N N 52 111.975 111.975 116.999 -5.024 19579 1625 1 3 . 1 1 52 52 SER HA H 52 4.222 4.222 4.239 -0.017 19579 1626 1 3 . 1 1 52 52 SER C C 52 174.983 174.983 175.158 -0.175 19579 1627 1 3 . 1 1 52 52 SER CA C 52 60.814 60.814 61.133 -0.319 19579 1628 1 3 . 1 1 52 52 SER CB C 52 62.977 62.977 63.005 -0.028 19579 1629 1 3 . 1 1 52 52 SER H H 52 8.231 8.231 8.766 -0.535 19579 1630 1 3 . 1 1 53 53 ALA N N 53 122.484 122.484 121.738 0.746 19579 1631 1 3 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.389 0.013 19579 1632 1 3 . 1 1 53 53 ALA C C 53 177.391 177.391 178.459 -1.068 19579 1633 1 3 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.803 -0.676 19579 1634 1 3 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.843 1.103 19579 1635 1 3 . 1 1 53 53 ALA H H 53 7.602 7.602 7.973 -0.371 19579 1636 1 3 . 1 1 54 54 LEU N N 54 117.414 117.414 120.504 -3.090 19579 1637 1 3 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.061 -0.182 19579 1638 1 3 . 1 1 54 54 LEU C C 54 174.434 174.434 176.027 -1.593 19579 1639 1 3 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.435 -0.120 19579 1640 1 3 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.507 0.113 19579 1641 1 3 . 1 1 54 54 LEU H H 54 7.408 7.408 7.706 -0.298 19579 1642 1 3 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.333 -0.142 19579 1643 1 3 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.152 1.782 19579 1644 1 3 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.055 -0.005 19579 1645 1 3 . 1 1 56 56 SER N N 56 113.559 113.559 112.546 1.013 19579 1646 1 3 . 1 1 56 56 SER HA H 56 4.234 4.234 4.464 -0.230 19579 1647 1 3 . 1 1 56 56 SER C C 56 176.552 176.552 175.737 0.815 19579 1648 1 3 . 1 1 56 56 SER CA C 56 61.233 61.233 60.938 0.295 19579 1649 1 3 . 1 1 56 56 SER CB C 56 62.733 62.733 63.944 -1.211 19579 1650 1 3 . 1 1 56 56 SER H H 56 7.834 7.834 7.408 0.426 19579 1651 1 3 . 1 1 57 57 VAL N N 57 123.292 123.292 122.552 0.740 19579 1652 1 3 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.106 -0.363 19579 1653 1 3 . 1 1 57 57 VAL C C 57 178.042 178.042 178.102 -0.060 19579 1654 1 3 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.289 1.171 19579 1655 1 3 . 1 1 57 57 VAL CB C 57 31.768 31.768 31.987 -0.219 19579 1656 1 3 . 1 1 57 57 VAL H H 57 8.263 8.263 8.186 0.077 19579 1657 1 3 . 1 1 58 58 ILE N N 58 118.510 118.510 120.157 -1.647 19579 1658 1 3 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.695 -0.011 19579 1659 1 3 . 1 1 58 58 ILE C C 58 176.221 176.221 178.151 -1.930 19579 1660 1 3 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.235 -1.153 19579 1661 1 3 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.653 -0.304 19579 1662 1 3 . 1 1 58 58 ILE H H 58 8.873 8.873 8.330 0.543 19579 1663 1 3 . 1 1 59 59 SER N N 59 114.238 114.238 112.565 1.673 19579 1664 1 3 . 1 1 59 59 SER HA H 59 4.305 4.305 4.520 -0.215 19579 1665 1 3 . 1 1 59 59 SER C C 59 177.534 177.534 176.259 1.275 19579 1666 1 3 . 1 1 59 59 SER CA C 59 61.586 61.586 60.542 1.044 19579 1667 1 3 . 1 1 59 59 SER CB C 59 62.951 62.951 63.142 -0.191 19579 1668 1 3 . 1 1 59 59 SER H H 59 7.388 7.388 8.648 -1.260 19579 1669 1 3 . 1 1 60 60 ASN N N 60 120.810 120.810 120.806 0.004 19579 1670 1 3 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.667 -0.307 19579 1671 1 3 . 1 1 60 60 ASN C C 60 178.616 178.616 177.745 0.871 19579 1672 1 3 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.515 1.200 19579 1673 1 3 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.765 0.231 19579 1674 1 3 . 1 1 60 60 ASN H H 60 8.147 8.147 7.715 0.432 19579 1675 1 3 . 1 1 61 61 ILE N N 61 121.116 121.116 121.968 -0.852 19579 1676 1 3 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.638 -0.117 19579 1677 1 3 . 1 1 61 61 ILE C C 61 176.972 176.972 177.690 -0.718 19579 1678 1 3 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.838 0.724 19579 1679 1 3 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.026 0.980 19579 1680 1 3 . 1 1 61 61 ILE H H 61 8.642 8.642 8.486 0.156 19579 1681 1 3 . 1 1 62 62 TYR N N 62 119.953 119.953 120.030 -0.077 19579 1682 1 3 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.987 -0.364 19579 1683 1 3 . 1 1 62 62 TYR C C 62 176.828 176.828 177.512 -0.684 19579 1684 1 3 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.955 1.128 19579 1685 1 3 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.718 0.257 19579 1686 1 3 . 1 1 62 62 TYR H H 62 9.192 9.192 8.358 0.834 19579 1687 1 3 . 1 1 63 63 SER N N 63 111.464 111.464 114.708 -3.244 19579 1688 1 3 . 1 1 63 63 SER HA H 63 4.035 4.035 4.176 -0.141 19579 1689 1 3 . 1 1 63 63 SER C C 63 177.325 177.325 177.043 0.282 19579 1690 1 3 . 1 1 63 63 SER CA C 63 62.027 62.027 61.829 0.198 19579 1691 1 3 . 1 1 63 63 SER CB C 63 62.565 62.565 62.437 0.128 19579 1692 1 3 . 1 1 63 63 SER H H 63 8.320 8.320 7.809 0.511 19579 1693 1 3 . 1 1 64 64 GLY N N 64 110.383 110.383 109.672 0.711 19579 1694 1 3 . 1 1 64 64 GLY C C 64 175.581 175.581 175.471 0.110 19579 1695 1 3 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.742 0.572 19579 1696 1 3 . 1 1 64 64 GLY H H 64 7.724 7.724 7.694 0.030 19579 1697 1 3 . 1 1 65 65 VAL N N 65 124.665 124.665 121.503 3.162 19579 1698 1 3 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.717 -0.473 19579 1699 1 3 . 1 1 65 65 VAL C C 65 180.072 180.072 177.602 2.470 19579 1700 1 3 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.855 1.149 19579 1701 1 3 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.963 -0.255 19579 1702 1 3 . 1 1 65 65 VAL H H 65 8.584 8.584 7.427 1.157 19579 1703 1 3 . 1 1 66 66 VAL N N 66 120.803 120.803 119.158 1.645 19579 1704 1 3 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.564 0.159 19579 1705 1 3 . 1 1 66 66 VAL C C 66 179.829 179.829 178.139 1.690 19579 1706 1 3 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.855 0.360 19579 1707 1 3 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.214 0.541 19579 1708 1 3 . 1 1 66 66 VAL H H 66 8.305 8.305 7.722 0.583 19579 1709 1 3 . 1 1 67 67 ALA N N 67 123.266 123.266 121.515 1.751 19579 1710 1 3 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.236 -0.072 19579 1711 1 3 . 1 1 67 67 ALA C C 67 178.560 178.560 178.372 0.188 19579 1712 1 3 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.133 0.291 19579 1713 1 3 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.110 -0.099 19579 1714 1 3 . 1 1 67 67 ALA H H 67 7.979 7.979 8.000 -0.021 19579 1715 1 3 . 1 1 68 68 SER N N 68 112.669 112.669 115.128 -2.459 19579 1716 1 3 . 1 1 68 68 SER HA H 68 4.436 4.436 4.376 0.060 19579 1717 1 3 . 1 1 68 68 SER C C 68 174.555 174.555 175.442 -0.887 19579 1718 1 3 . 1 1 68 68 SER CA C 68 59.634 59.634 58.741 0.893 19579 1719 1 3 . 1 1 68 68 SER CB C 68 63.943 63.943 63.935 0.008 19579 1720 1 3 . 1 1 68 68 SER H H 68 7.674 7.674 7.444 0.230 19579 1721 1 3 . 1 1 69 69 GLY N N 69 109.146 109.146 109.992 -0.846 19579 1722 1 3 . 1 1 69 69 GLY C C 69 173.904 173.904 173.300 0.604 19579 1723 1 3 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.830 0.402 19579 1724 1 3 . 1 1 69 69 GLY H H 69 7.939 7.939 7.566 0.373 19579 1725 1 3 . 1 1 70 70 VAL N N 70 119.926 119.926 118.958 0.968 19579 1726 1 3 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.269 -0.359 19579 1727 1 3 . 1 1 70 70 VAL C C 70 174.997 174.997 175.450 -0.453 19579 1728 1 3 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.637 1.647 19579 1729 1 3 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.835 -1.411 19579 1730 1 3 . 1 1 70 70 VAL H H 70 6.723 6.723 7.521 -0.798 19579 1731 1 3 . 1 1 71 71 SER N N 71 120.581 120.581 121.075 -0.494 19579 1732 1 3 . 1 1 71 71 SER HA H 71 4.386 4.386 4.387 -0.001 19579 1733 1 3 . 1 1 71 71 SER C C 71 175.559 175.559 175.642 -0.083 19579 1734 1 3 . 1 1 71 71 SER CA C 71 58.441 58.441 58.893 -0.452 19579 1735 1 3 . 1 1 71 71 SER CB C 71 64.632 64.632 64.070 0.562 19579 1736 1 3 . 1 1 71 71 SER H H 71 8.577 8.577 8.549 0.028 19579 1737 1 3 . 1 1 72 72 SER N N 72 117.898 117.898 118.587 -0.689 19579 1738 1 3 . 1 1 72 72 SER HA H 72 4.083 4.083 3.969 0.114 19579 1739 1 3 . 1 1 72 72 SER C C 72 176.255 176.255 176.406 -0.151 19579 1740 1 3 . 1 1 72 72 SER CA C 72 61.586 61.586 62.645 -1.059 19579 1741 1 3 . 1 1 72 72 SER CB C 72 62.622 62.622 63.138 -0.516 19579 1742 1 3 . 1 1 72 72 SER H H 72 8.889 8.889 8.834 0.055 19579 1743 1 3 . 1 1 73 73 ASN N N 73 118.976 118.976 118.592 0.384 19579 1744 1 3 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.381 0.276 19579 1745 1 3 . 1 1 73 73 ASN C C 73 176.506 176.506 177.150 -0.644 19579 1746 1 3 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.332 0.729 19579 1747 1 3 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.225 -0.225 19579 1748 1 3 . 1 1 73 73 ASN H H 73 8.519 8.519 8.689 -0.170 19579 1749 1 3 . 1 1 74 74 GLU N N 74 118.543 118.543 118.216 0.327 19579 1750 1 3 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.006 0.104 19579 1751 1 3 . 1 1 74 74 GLU C C 74 176.994 176.994 177.874 -0.880 19579 1752 1 3 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.313 -0.287 19579 1753 1 3 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.265 2.098 19579 1754 1 3 . 1 1 74 74 GLU H H 74 7.768 7.768 8.291 -0.523 19579 1755 1 3 . 1 1 75 75 ALA N N 75 121.901 121.901 123.563 -1.662 19579 1756 1 3 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.026 -0.336 19579 1757 1 3 . 1 1 75 75 ALA C C 75 178.318 178.318 179.498 -1.180 19579 1758 1 3 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.112 0.116 19579 1759 1 3 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.087 0.554 19579 1760 1 3 . 1 1 75 75 ALA H H 75 8.069 8.069 8.101 -0.032 19579 1761 1 3 . 1 1 76 76 LEU N N 76 117.360 117.360 119.852 -2.492 19579 1762 1 3 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.172 -0.062 19579 1763 1 3 . 1 1 76 76 LEU C C 76 177.854 177.854 178.460 -0.606 19579 1764 1 3 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.764 0.250 19579 1765 1 3 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.046 -1.278 19579 1766 1 3 . 1 1 76 76 LEU H H 76 8.121 8.121 7.382 0.739 19579 1767 1 3 . 1 1 77 77 ILE N N 77 116.714 116.714 119.099 -2.385 19579 1768 1 3 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.599 -0.147 19579 1769 1 3 . 1 1 77 77 ILE C C 77 176.883 176.883 178.280 -1.397 19579 1770 1 3 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.629 -0.371 19579 1771 1 3 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.643 0.099 19579 1772 1 3 . 1 1 77 77 ILE H H 77 7.607 7.607 7.324 0.283 19579 1773 1 3 . 1 1 78 78 GLN N N 78 119.338 119.338 119.482 -0.144 19579 1774 1 3 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.889 -0.257 19579 1775 1 3 . 1 1 78 78 GLN C C 78 177.521 177.521 177.998 -0.477 19579 1776 1 3 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.035 1.284 19579 1777 1 3 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.061 0.113 19579 1778 1 3 . 1 1 78 78 GLN H H 78 8.119 8.119 8.710 -0.591 19579 1779 1 3 . 1 1 79 79 ALA N N 79 119.218 119.218 122.565 -3.347 19579 1780 1 3 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.031 -0.159 19579 1781 1 3 . 1 1 79 79 ALA C C 79 179.311 179.311 179.925 -0.614 19579 1782 1 3 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.103 -0.278 19579 1783 1 3 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.191 -0.372 19579 1784 1 3 . 1 1 79 79 ALA H H 79 8.639 8.639 7.522 1.117 19579 1785 1 3 . 1 1 80 80 LEU N N 80 116.262 116.262 118.734 -2.472 19579 1786 1 3 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.022 -0.123 19579 1787 1 3 . 1 1 80 80 LEU C C 80 178.914 178.914 179.341 -0.427 19579 1788 1 3 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.559 0.452 19579 1789 1 3 . 1 1 80 80 LEU CB C 80 41.615 41.615 40.758 0.857 19579 1790 1 3 . 1 1 80 80 LEU H H 80 8.450 8.450 8.021 0.429 19579 1791 1 3 . 1 1 81 81 LEU N N 81 118.995 118.995 119.456 -0.461 19579 1792 1 3 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.914 0.058 19579 1793 1 3 . 1 1 81 81 LEU C C 81 180.127 180.127 179.493 0.634 19579 1794 1 3 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.496 -0.513 19579 1795 1 3 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.234 1.309 19579 1796 1 3 . 1 1 81 81 LEU H H 81 8.151 8.151 8.539 -0.388 19579 1797 1 3 . 1 1 82 82 GLU N N 82 124.890 124.890 119.101 5.789 19579 1798 1 3 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.186 -0.553 19579 1799 1 3 . 1 1 82 82 GLU C C 82 178.505 178.505 178.795 -0.290 19579 1800 1 3 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.690 2.610 19579 1801 1 3 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.518 0.261 19579 1802 1 3 . 1 1 82 82 GLU H H 82 8.659 8.659 8.158 0.501 19579 1803 1 3 . 1 1 83 83 LEU N N 83 121.487 121.487 120.632 0.855 19579 1804 1 3 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.248 -0.428 19579 1805 1 3 . 1 1 83 83 LEU C C 83 178.163 178.163 178.458 -0.295 19579 1806 1 3 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.405 0.750 19579 1807 1 3 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.973 -0.339 19579 1808 1 3 . 1 1 83 83 LEU H H 83 8.658 8.658 7.723 0.935 19579 1809 1 3 . 1 1 84 84 LEU N N 84 118.904 118.904 119.193 -0.289 19579 1810 1 3 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.190 -0.404 19579 1811 1 3 . 1 1 84 84 LEU C C 84 178.064 178.064 178.480 -0.416 19579 1812 1 3 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.172 1.491 19579 1813 1 3 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.905 1.300 19579 1814 1 3 . 1 1 84 84 LEU H H 84 8.803 8.803 8.491 0.312 19579 1815 1 3 . 1 1 85 85 SER N N 85 114.347 114.347 113.726 0.621 19579 1816 1 3 . 1 1 85 85 SER HA H 85 4.211 4.211 4.514 -0.303 19579 1817 1 3 . 1 1 85 85 SER C C 85 174.633 174.633 175.643 -1.010 19579 1818 1 3 . 1 1 85 85 SER CA C 85 62.957 62.957 59.721 3.236 19579 1819 1 3 . 1 1 85 85 SER CB C 85 62.947 62.947 64.468 -1.521 19579 1820 1 3 . 1 1 85 85 SER H H 85 7.879 7.879 7.952 -0.073 19579 1821 1 3 . 1 1 86 86 ALA N N 86 124.206 124.206 126.345 -2.139 19579 1822 1 3 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.205 -0.435 19579 1823 1 3 . 1 1 86 86 ALA C C 86 178.538 178.538 179.167 -0.629 19579 1824 1 3 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.084 0.282 19579 1825 1 3 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.843 -1.499 19579 1826 1 3 . 1 1 86 86 ALA H H 86 8.199 8.199 7.565 0.634 19579 1827 1 3 . 1 1 87 87 LEU N N 87 116.463 116.463 116.262 0.201 19579 1828 1 3 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.190 -0.369 19579 1829 1 3 . 1 1 87 87 LEU C C 87 178.709 178.709 178.347 0.362 19579 1830 1 3 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.843 0.511 19579 1831 1 3 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.480 2.114 19579 1832 1 3 . 1 1 87 87 LEU H H 87 8.140 8.140 7.612 0.528 19579 1833 1 3 . 1 1 88 88 VAL N N 88 118.854 118.854 119.337 -0.483 19579 1834 1 3 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.836 -0.433 19579 1835 1 3 . 1 1 88 88 VAL C C 88 177.766 177.766 177.235 0.531 19579 1836 1 3 . 1 1 88 88 VAL CA C 88 66.665 66.665 65.038 1.627 19579 1837 1 3 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.364 0.083 19579 1838 1 3 . 1 1 88 88 VAL H H 88 8.716 8.716 7.722 0.994 19579 1839 1 3 . 1 1 89 89 HIS N N 89 121.227 121.227 120.428 0.799 19579 1840 1 3 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.296 -0.257 19579 1841 1 3 . 1 1 89 89 HIS C C 89 178.880 178.880 177.270 1.610 19579 1842 1 3 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.191 1.131 19579 1843 1 3 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.180 1.568 19579 1844 1 3 . 1 1 89 89 HIS H H 89 8.664 8.664 7.611 1.053 19579 1845 1 3 . 1 1 90 90 VAL N N 90 118.094 118.094 117.061 1.033 19579 1846 1 3 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.949 -0.382 19579 1847 1 3 . 1 1 90 90 VAL C C 90 177.733 177.733 177.725 0.008 19579 1848 1 3 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.416 1.414 19579 1849 1 3 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.259 0.341 19579 1850 1 3 . 1 1 90 90 VAL H H 90 7.994 7.994 7.696 0.298 19579 1851 1 3 . 1 1 91 91 LEU N N 91 119.672 119.672 120.919 -1.247 19579 1852 1 3 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.091 -0.259 19579 1853 1 3 . 1 1 91 91 LEU C C 91 178.869 178.869 178.452 0.417 19579 1854 1 3 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.528 0.230 19579 1855 1 3 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.217 1.722 19579 1856 1 3 . 1 1 91 91 LEU H H 91 8.393 8.393 7.586 0.807 19579 1857 1 3 . 1 1 92 92 SER N N 92 113.554 113.554 113.111 0.443 19579 1858 1 3 . 1 1 92 92 SER HA H 92 4.297 4.297 4.202 0.095 19579 1859 1 3 . 1 1 92 92 SER C C 92 174.500 174.500 175.649 -1.149 19579 1860 1 3 . 1 1 92 92 SER CA C 92 61.410 61.410 60.893 0.517 19579 1861 1 3 . 1 1 92 92 SER CB C 92 63.254 63.254 62.986 0.268 19579 1862 1 3 . 1 1 92 92 SER H H 92 7.900 7.900 7.681 0.219 19579 1863 1 3 . 1 1 93 93 SER N N 93 115.055 115.055 114.858 0.197 19579 1864 1 3 . 1 1 93 93 SER HA H 93 4.704 4.704 4.612 0.092 19579 1865 1 3 . 1 1 93 93 SER C C 93 173.044 173.044 174.147 -1.103 19579 1866 1 3 . 1 1 93 93 SER CA C 93 57.967 57.967 58.783 -0.816 19579 1867 1 3 . 1 1 93 93 SER CB C 93 64.574 64.574 64.142 0.432 19579 1868 1 3 . 1 1 93 93 SER H H 93 7.420 7.420 7.462 -0.042 19579 1869 1 3 . 1 1 94 94 ALA N N 94 124.504 124.504 124.275 0.229 19579 1870 1 3 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.384 0.245 19579 1871 1 3 . 1 1 94 94 ALA C C 94 176.199 176.199 177.788 -1.589 19579 1872 1 3 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.027 -1.558 19579 1873 1 3 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.338 2.281 19579 1874 1 3 . 1 1 94 94 ALA H H 94 7.476 7.476 7.267 0.209 19579 1875 1 3 . 1 1 95 95 SER N N 95 115.739 115.739 113.229 2.510 19579 1876 1 3 . 1 1 95 95 SER HA H 95 4.758 4.758 4.098 0.660 19579 1877 1 3 . 1 1 95 95 SER C C 95 174.136 174.136 174.082 0.054 19579 1878 1 3 . 1 1 95 95 SER CA C 95 57.343 57.343 58.892 -1.548 19579 1879 1 3 . 1 1 95 95 SER CB C 95 63.303 63.303 60.971 2.332 19579 1880 1 3 . 1 1 95 95 SER H H 95 8.483 8.483 7.863 0.620 19579 1881 1 3 . 1 1 96 96 ILE N N 96 128.288 128.288 120.714 7.574 19579 1882 1 3 . 1 1 96 96 ILE HA H 96 3.993 3.993 3.990 0.003 19579 1883 1 3 . 1 1 96 96 ILE C C 96 175.868 175.868 176.685 -0.817 19579 1884 1 3 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.503 -1.141 19579 1885 1 3 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.842 -0.229 19579 1886 1 3 . 1 1 96 96 ILE H H 96 8.869 8.869 8.282 0.587 19579 1887 1 3 . 1 1 97 97 GLY N N 97 115.495 115.495 116.238 -0.743 19579 1888 1 3 . 1 1 97 97 GLY C C 97 173.022 173.022 173.961 -0.939 19579 1889 1 3 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.179 -0.309 19579 1890 1 3 . 1 1 97 97 GLY H H 97 8.272 8.272 8.560 -0.288 19579 1891 1 3 . 1 1 98 98 ASN N N 98 120.819 120.819 120.220 0.599 19579 1892 1 3 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.883 -0.235 19579 1893 1 3 . 1 1 98 98 ASN C C 98 174.809 174.809 174.397 0.412 19579 1894 1 3 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.651 0.775 19579 1895 1 3 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.162 -0.497 19579 1896 1 3 . 1 1 98 98 ASN H H 98 8.420 8.420 8.380 0.040 19579 1897 1 3 . 1 1 99 99 VAL N N 99 122.960 122.960 123.984 -1.024 19579 1898 1 3 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.275 -0.101 19579 1899 1 3 . 1 1 99 99 VAL C C 99 174.500 174.500 175.613 -1.113 19579 1900 1 3 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.874 -0.506 19579 1901 1 3 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.839 0.567 19579 1902 1 3 . 1 1 99 99 VAL H H 99 8.292 8.292 8.390 -0.098 19579 1903 1 3 . 1 1 100 100 SER N N 100 120.723 120.723 119.811 0.912 19579 1904 1 3 . 1 1 100 100 SER HA H 100 4.756 4.756 4.670 0.086 19579 1905 1 3 . 1 1 100 100 SER C C 100 174.235 174.235 174.807 -0.572 19579 1906 1 3 . 1 1 100 100 SER CA C 100 56.687 56.687 57.640 -0.953 19579 1907 1 3 . 1 1 100 100 SER CB C 100 64.904 64.904 64.015 0.889 19579 1908 1 3 . 1 1 100 100 SER H H 100 8.644 8.644 8.534 0.110 19579 1909 1 3 . 1 1 101 101 SER N N 101 117.236 117.236 119.783 -2.547 19579 1910 1 3 . 1 1 101 101 SER HA H 101 4.130 4.130 4.461 -0.331 19579 1911 1 3 . 1 1 101 101 SER CA C 101 59.000 59.000 58.463 0.537 19579 1912 1 3 . 1 1 101 101 SER CB C 101 63.104 63.104 63.496 -0.392 19579 1913 1 3 . 1 1 102 102 VAL N N 102 124.874 124.874 120.956 3.918 19579 1914 1 3 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.137 -0.316 19579 1915 1 3 . 1 1 102 102 VAL C C 102 177.545 177.545 175.778 1.767 19579 1916 1 3 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.850 2.732 19579 1917 1 3 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.657 -1.177 19579 1918 1 3 . 1 1 102 102 VAL H H 102 8.090 8.090 7.336 0.754 19579 1919 1 3 . 1 1 103 103 GLY N N 103 114.589 114.589 115.071 -0.482 19579 1920 1 3 . 1 1 103 103 GLY C C 103 176.387 176.387 175.636 0.751 19579 1921 1 3 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.020 0.666 19579 1922 1 3 . 1 1 103 103 GLY H H 103 9.051 9.051 8.592 0.459 19579 1923 1 3 . 1 1 104 104 VAL N N 104 121.976 121.976 121.617 0.359 19579 1924 1 3 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.669 -0.321 19579 1925 1 3 . 1 1 104 104 VAL C C 104 176.045 176.045 176.900 -0.855 19579 1926 1 3 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.036 1.853 19579 1927 1 3 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.166 0.099 19579 1928 1 3 . 1 1 104 104 VAL H H 104 7.753 7.753 8.256 -0.503 19579 1929 1 3 . 1 1 105 105 ASP N N 105 117.868 117.868 119.275 -1.407 19579 1930 1 3 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.406 -0.255 19579 1931 1 3 . 1 1 105 105 ASP C C 105 178.406 178.406 178.229 0.177 19579 1932 1 3 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.320 -0.610 19579 1933 1 3 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.868 -2.216 19579 1934 1 3 . 1 1 105 105 ASP H H 105 8.719 8.719 8.648 0.071 19579 1935 1 3 . 1 1 106 106 SER N N 106 117.500 117.500 113.425 4.075 19579 1936 1 3 . 1 1 106 106 SER HA H 106 4.306 4.306 4.403 -0.097 19579 1937 1 3 . 1 1 106 106 SER C C 106 176.784 176.784 176.812 -0.028 19579 1938 1 3 . 1 1 106 106 SER CA C 106 61.523 61.523 61.141 0.382 19579 1939 1 3 . 1 1 106 106 SER CB C 106 62.480 62.480 63.293 -0.813 19579 1940 1 3 . 1 1 106 106 SER H H 106 7.685 7.685 7.685 -0.000 19579 1941 1 3 . 1 1 107 107 THR N N 107 121.741 121.741 120.543 1.198 19579 1942 1 3 . 1 1 107 107 THR HA H 107 4.373 4.373 4.042 0.332 19579 1943 1 3 . 1 1 107 107 THR C C 107 176.227 176.227 176.733 -0.506 19579 1944 1 3 . 1 1 107 107 THR CA C 107 66.648 66.648 65.984 0.664 19579 1945 1 3 . 1 1 107 107 THR CB C 107 66.884 66.884 68.683 -1.799 19579 1946 1 3 . 1 1 107 107 THR H H 107 8.024 8.024 7.470 0.554 19579 1947 1 3 . 1 1 108 108 LEU N N 108 122.175 122.175 121.185 0.990 19579 1948 1 3 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.998 -0.082 19579 1949 1 3 . 1 1 108 108 LEU C C 108 178.560 178.560 178.001 0.559 19579 1950 1 3 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.593 1.576 19579 1951 1 3 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.331 -0.302 19579 1952 1 3 . 1 1 108 108 LEU H H 108 8.475 8.475 8.012 0.463 19579 1953 1 3 . 1 1 109 109 ASN N N 109 116.499 116.499 117.054 -0.555 19579 1954 1 3 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.719 -0.233 19579 1955 1 3 . 1 1 109 109 ASN C C 109 177.181 177.181 177.229 -0.048 19579 1956 1 3 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.345 1.154 19579 1957 1 3 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.846 0.139 19579 1958 1 3 . 1 1 109 109 ASN H H 109 7.567 7.567 7.584 -0.017 19579 1959 1 3 . 1 1 110 110 VAL N N 110 121.382 121.382 120.108 1.274 19579 1960 1 3 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.833 0.044 19579 1961 1 3 . 1 1 110 110 VAL C C 110 180.116 180.116 177.717 2.399 19579 1962 1 3 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.209 0.027 19579 1963 1 3 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.792 -0.232 19579 1964 1 3 . 1 1 110 110 VAL H H 110 7.978 7.978 7.587 0.391 19579 1965 1 3 . 1 1 111 111 VAL N N 111 123.748 123.748 120.632 3.116 19579 1966 1 3 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.848 -0.490 19579 1967 1 3 . 1 1 111 111 VAL C C 111 177.424 177.424 177.602 -0.178 19579 1968 1 3 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.983 3.199 19579 1969 1 3 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.309 -0.203 19579 1970 1 3 . 1 1 111 111 VAL H H 111 8.228 8.228 7.471 0.757 19579 1971 1 3 . 1 1 112 112 GLN N N 112 120.331 120.331 118.615 1.716 19579 1972 1 3 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.944 -0.346 19579 1973 1 3 . 1 1 112 112 GLN C C 112 178.329 178.329 178.076 0.253 19579 1974 1 3 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.365 0.944 19579 1975 1 3 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.245 1.896 19579 1976 1 3 . 1 1 112 112 GLN H H 112 8.719 8.719 7.736 0.983 19579 1977 1 3 . 1 1 113 113 ASP N N 113 117.931 117.931 117.680 0.251 19579 1978 1 3 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.455 -0.105 19579 1979 1 3 . 1 1 113 113 ASP C C 113 178.406 178.406 177.518 0.888 19579 1980 1 3 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.533 0.496 19579 1981 1 3 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.928 0.366 19579 1982 1 3 . 1 1 113 113 ASP H H 113 8.410 8.410 7.822 0.588 19579 1983 1 3 . 1 1 114 114 SER N N 114 113.798 113.798 113.779 0.019 19579 1984 1 3 . 1 1 114 114 SER HA H 114 4.310 4.310 4.397 -0.087 19579 1985 1 3 . 1 1 114 114 SER C C 114 175.416 175.416 175.818 -0.402 19579 1986 1 3 . 1 1 114 114 SER CA C 114 61.981 61.981 60.504 1.477 19579 1987 1 3 . 1 1 114 114 SER CB C 114 63.618 63.618 64.309 -0.691 19579 1988 1 3 . 1 1 114 114 SER H H 114 7.973 7.973 7.536 0.437 19579 1989 1 3 . 1 1 115 115 VAL N N 115 115.306 115.306 121.653 -6.347 19579 1990 1 3 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.413 -0.206 19579 1991 1 3 . 1 1 115 115 VAL C C 115 177.325 177.325 177.137 0.188 19579 1992 1 3 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.510 0.754 19579 1993 1 3 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.750 -0.383 19579 1994 1 3 . 1 1 115 115 VAL H H 115 8.090 8.090 7.690 0.400 19579 1995 1 3 . 1 1 116 116 GLY N N 116 107.952 107.952 109.146 -1.194 19579 1996 1 3 . 1 1 116 116 GLY C C 116 175.129 175.129 174.815 0.314 19579 1997 1 3 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.760 0.070 19579 1998 1 3 . 1 1 116 116 GLY H H 116 7.991 7.991 8.005 -0.014 19579 1999 1 3 . 1 1 117 117 GLN N N 117 116.191 116.191 117.994 -1.803 19579 2000 1 3 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.942 0.111 19579 2001 1 3 . 1 1 117 117 GLN C C 117 176.056 176.056 176.264 -0.208 19579 2002 1 3 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.451 -0.395 19579 2003 1 3 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.621 0.871 19579 2004 1 3 . 1 1 117 117 GLN H H 117 7.721 7.721 8.110 -0.389 19579 2005 1 3 . 1 1 118 118 TYR N N 118 116.504 116.504 118.885 -2.381 19579 2006 1 3 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.374 -0.148 19579 2007 1 3 . 1 1 118 118 TYR C C 118 174.919 174.919 177.654 -2.735 19579 2008 1 3 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.489 -0.838 19579 2009 1 3 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.621 -0.630 19579 2010 1 3 . 1 1 118 118 TYR H H 118 7.685 7.685 7.846 -0.161 19579 2011 1 3 . 1 1 119 119 VAL N N 119 115.145 115.145 117.738 -2.593 19579 2012 1 3 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.910 0.284 19579 2013 1 3 . 1 1 119 119 VAL C C 119 174.666 174.666 177.466 -2.800 19579 2014 1 3 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.885 -1.923 19579 2015 1 3 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.834 0.783 19579 2016 1 3 . 1 1 119 119 VAL H H 119 7.132 7.132 7.700 -0.568 19579 2017 1 4 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.971 -0.095 19579 2018 1 4 . 1 1 -2 -2 ASN N N -2 118.808 118.808 117.530 1.278 19579 2019 1 4 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.172 1.012 19579 2020 1 4 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.195 0.204 19579 2021 1 4 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.461 -0.154 19579 2022 1 4 . 1 1 2 2 THR N N 2 116.876 116.876 115.366 1.510 19579 2023 1 4 . 1 1 2 2 THR HA H 2 4.348 4.348 4.763 -0.415 19579 2024 1 4 . 1 1 2 2 THR C C 2 174.600 174.600 174.406 0.194 19579 2025 1 4 . 1 1 2 2 THR CA C 2 61.785 61.785 61.852 -0.067 19579 2026 1 4 . 1 1 2 2 THR CB C 2 69.800 69.800 70.075 -0.275 19579 2027 1 4 . 1 1 2 2 THR H H 2 8.176 8.176 8.293 -0.117 19579 2028 1 4 . 1 1 3 3 SER N N 3 117.968 117.968 116.939 1.029 19579 2029 1 4 . 1 1 3 3 SER C C 3 174.732 174.732 173.985 0.747 19579 2030 1 4 . 1 1 3 3 SER CA C 3 58.585 58.585 57.905 0.680 19579 2031 1 4 . 1 1 3 3 SER H H 3 8.248 8.248 8.578 -0.330 19579 2032 1 4 . 1 1 5 5 GLY N N 5 108.381 108.381 112.047 -3.666 19579 2033 1 4 . 1 1 5 5 GLY C C 5 173.728 173.728 173.686 0.042 19579 2034 1 4 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.892 0.323 19579 2035 1 4 . 1 1 5 5 GLY H H 5 8.134 8.134 8.513 -0.379 19579 2036 1 4 . 1 1 6 6 TYR N N 6 120.011 120.011 121.022 -1.011 19579 2037 1 4 . 1 1 6 6 TYR HA H 6 4.464 4.464 5.051 -0.587 19579 2038 1 4 . 1 1 6 6 TYR C C 6 176.232 176.232 174.699 1.533 19579 2039 1 4 . 1 1 6 6 TYR CA C 6 58.175 58.175 56.420 1.755 19579 2040 1 4 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.363 -0.599 19579 2041 1 4 . 1 1 6 6 TYR H H 6 8.096 8.096 7.985 0.111 19579 2042 1 4 . 1 1 7 7 GLY N N 7 110.530 110.530 109.509 1.021 19579 2043 1 4 . 1 1 7 7 GLY C C 7 173.772 173.772 172.687 1.085 19579 2044 1 4 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.882 0.340 19579 2045 1 4 . 1 1 7 7 GLY H H 7 8.283 8.283 8.676 -0.393 19579 2046 1 4 . 1 1 8 8 TYR N N 8 120.132 120.132 120.989 -0.857 19579 2047 1 4 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.622 -0.139 19579 2048 1 4 . 1 1 8 8 TYR C C 8 176.420 176.420 175.677 0.743 19579 2049 1 4 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.307 2.027 19579 2050 1 4 . 1 1 8 8 TYR CB C 8 38.745 38.745 38.182 0.563 19579 2051 1 4 . 1 1 8 8 TYR H H 8 7.987 7.987 8.053 -0.066 19579 2052 1 4 . 1 1 9 9 GLY N N 9 110.831 110.831 112.631 -1.800 19579 2053 1 4 . 1 1 9 9 GLY C C 9 174.335 174.335 174.376 -0.041 19579 2054 1 4 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.159 0.290 19579 2055 1 4 . 1 1 9 9 GLY H H 9 8.400 8.400 8.516 -0.116 19579 2056 1 4 . 1 1 10 10 THR N N 10 113.216 113.216 117.344 -4.128 19579 2057 1 4 . 1 1 10 10 THR HA H 10 4.366 4.366 4.556 -0.190 19579 2058 1 4 . 1 1 10 10 THR C C 10 174.721 174.721 174.825 -0.104 19579 2059 1 4 . 1 1 10 10 THR CA C 10 61.829 61.829 61.197 0.632 19579 2060 1 4 . 1 1 10 10 THR CB C 10 69.881 69.881 69.913 -0.032 19579 2061 1 4 . 1 1 10 10 THR H H 10 8.012 8.012 8.099 -0.087 19579 2062 1 4 . 1 1 11 11 SER N N 11 117.904 117.904 123.946 -6.042 19579 2063 1 4 . 1 1 11 11 SER HA H 11 4.414 4.414 4.643 -0.229 19579 2064 1 4 . 1 1 11 11 SER C C 11 174.335 174.335 173.852 0.483 19579 2065 1 4 . 1 1 11 11 SER CA C 11 58.363 58.363 58.253 0.110 19579 2066 1 4 . 1 1 11 11 SER CB C 11 63.911 63.911 63.855 0.056 19579 2067 1 4 . 1 1 11 11 SER H H 11 8.342 8.342 8.701 -0.359 19579 2068 1 4 . 1 1 12 12 ALA N N 12 126.003 126.003 128.881 -2.878 19579 2069 1 4 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.593 -0.355 19579 2070 1 4 . 1 1 12 12 ALA C C 12 177.468 177.468 176.085 1.383 19579 2071 1 4 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.308 0.464 19579 2072 1 4 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.785 -0.697 19579 2073 1 4 . 1 1 12 12 ALA H H 12 8.274 8.274 8.475 -0.201 19579 2074 1 4 . 1 1 13 13 ALA N N 13 122.954 122.954 124.483 -1.529 19579 2075 1 4 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.716 -0.491 19579 2076 1 4 . 1 1 13 13 ALA C C 13 178.207 178.207 176.682 1.525 19579 2077 1 4 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.133 0.446 19579 2078 1 4 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.261 -0.970 19579 2079 1 4 . 1 1 13 13 ALA H H 13 8.121 8.121 8.426 -0.305 19579 2080 1 4 . 1 1 14 14 ALA N N 14 123.733 123.733 124.452 -0.719 19579 2081 1 4 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.945 -0.688 19579 2082 1 4 . 1 1 14 14 ALA C C 14 178.227 178.227 176.663 1.564 19579 2083 1 4 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.409 1.340 19579 2084 1 4 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.177 -0.901 19579 2085 1 4 . 1 1 14 14 ALA H H 14 8.262 8.262 8.502 -0.240 19579 2086 1 4 . 1 1 15 15 GLY N N 15 108.014 108.014 107.558 0.456 19579 2087 1 4 . 1 1 15 15 GLY C C 15 173.849 173.849 172.479 1.370 19579 2088 1 4 . 1 1 15 15 GLY CA C 15 45.311 45.311 46.123 -0.812 19579 2089 1 4 . 1 1 15 15 GLY H H 15 8.239 8.239 8.253 -0.014 19579 2090 1 4 . 1 1 16 16 ALA N N 16 123.529 123.529 124.418 -0.889 19579 2091 1 4 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.779 -0.481 19579 2092 1 4 . 1 1 16 16 ALA C C 16 178.108 178.108 175.933 2.175 19579 2093 1 4 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.648 1.063 19579 2094 1 4 . 1 1 16 16 ALA CB C 16 19.316 19.316 22.192 -2.876 19579 2095 1 4 . 1 1 16 16 ALA H H 16 8.102 8.102 8.182 -0.080 19579 2096 1 4 . 1 1 17 17 GLY N N 17 108.099 108.099 108.092 0.007 19579 2097 1 4 . 1 1 17 17 GLY C C 17 174.081 174.081 174.039 0.042 19579 2098 1 4 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.211 0.024 19579 2099 1 4 . 1 1 17 17 GLY H H 17 8.356 8.356 8.692 -0.336 19579 2100 1 4 . 1 1 18 18 VAL N N 18 119.220 119.220 121.392 -2.172 19579 2101 1 4 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.345 -0.278 19579 2102 1 4 . 1 1 18 18 VAL C C 18 175.946 175.946 175.449 0.497 19579 2103 1 4 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.508 1.775 19579 2104 1 4 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.557 0.207 19579 2105 1 4 . 1 1 18 18 VAL H H 18 7.899 7.899 7.877 0.022 19579 2106 1 4 . 1 1 19 19 ALA N N 19 127.804 127.804 120.565 7.239 19579 2107 1 4 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.262 1.025 19579 2108 1 4 . 1 1 19 19 ALA C C 19 177.303 177.303 175.374 1.929 19579 2109 1 4 . 1 1 19 19 ALA CA C 19 52.460 52.460 52.997 -0.537 19579 2110 1 4 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.195 2.103 19579 2111 1 4 . 1 1 19 19 ALA H H 19 8.377 8.377 7.733 0.644 19579 2112 1 4 . 1 1 20 20 ALA N N 20 123.602 123.602 119.644 3.958 19579 2113 1 4 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.663 -0.384 19579 2114 1 4 . 1 1 20 20 ALA C C 20 178.086 178.086 177.953 0.133 19579 2115 1 4 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.473 1.279 19579 2116 1 4 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.300 -0.985 19579 2117 1 4 . 1 1 20 20 ALA H H 20 8.261 8.261 7.688 0.573 19579 2118 1 4 . 1 1 21 21 GLY N N 21 108.033 108.033 115.069 -7.036 19579 2119 1 4 . 1 1 21 21 GLY C C 21 174.213 174.213 174.885 -0.672 19579 2120 1 4 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.433 -1.142 19579 2121 1 4 . 1 1 21 21 GLY H H 21 8.323 8.323 9.069 -0.746 19579 2122 1 4 . 1 1 22 22 SER N N 22 115.596 115.596 118.603 -3.007 19579 2123 1 4 . 1 1 22 22 SER HA H 22 4.369 4.369 4.659 -0.290 19579 2124 1 4 . 1 1 22 22 SER C C 22 175.328 175.328 173.476 1.852 19579 2125 1 4 . 1 1 22 22 SER CA C 22 58.686 58.686 57.811 0.875 19579 2126 1 4 . 1 1 22 22 SER CB C 22 63.915 63.915 64.109 -0.194 19579 2127 1 4 . 1 1 22 22 SER H H 22 8.118 8.118 8.232 -0.114 19579 2128 1 4 . 1 1 23 23 TYR N N 23 121.490 121.490 120.874 0.616 19579 2129 1 4 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.584 0.185 19579 2130 1 4 . 1 1 23 23 TYR C C 23 175.890 175.890 176.794 -0.904 19579 2131 1 4 . 1 1 23 23 TYR CA C 23 57.724 57.724 58.345 -0.621 19579 2132 1 4 . 1 1 23 23 TYR CB C 23 37.863 37.863 37.717 0.146 19579 2133 1 4 . 1 1 23 23 TYR H H 23 8.620 8.620 7.360 1.260 19579 2134 1 4 . 1 1 24 24 ALA N N 24 121.940 121.940 119.551 2.389 19579 2135 1 4 . 1 1 24 24 ALA HA H 24 3.881 3.881 3.982 -0.101 19579 2136 1 4 . 1 1 24 24 ALA C C 24 179.366 179.366 179.672 -0.306 19579 2137 1 4 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.830 2.563 19579 2138 1 4 . 1 1 24 24 ALA CB C 24 18.540 18.540 16.988 1.552 19579 2139 1 4 . 1 1 24 24 ALA H H 24 8.127 8.127 8.716 -0.589 19579 2140 1 4 . 1 1 25 25 GLY N N 25 106.527 106.527 107.860 -1.333 19579 2141 1 4 . 1 1 25 25 GLY C C 25 175.074 175.074 175.412 -0.338 19579 2142 1 4 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.593 0.604 19579 2143 1 4 . 1 1 25 25 GLY H H 25 8.647 8.647 8.313 0.334 19579 2144 1 4 . 1 1 26 26 ALA N N 26 122.752 122.752 124.381 -1.629 19579 2145 1 4 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.084 -0.057 19579 2146 1 4 . 1 1 26 26 ALA C C 26 177.490 177.490 178.790 -1.300 19579 2147 1 4 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.129 -0.593 19579 2148 1 4 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.387 0.589 19579 2149 1 4 . 1 1 26 26 ALA H H 26 7.552 7.552 8.738 -1.186 19579 2150 1 4 . 1 1 27 27 VAL N N 27 113.110 113.110 114.990 -1.880 19579 2151 1 4 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.862 -0.401 19579 2152 1 4 . 1 1 27 27 VAL C C 27 179.366 179.366 178.138 1.228 19579 2153 1 4 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.893 0.670 19579 2154 1 4 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.019 1.076 19579 2155 1 4 . 1 1 27 27 VAL H H 27 7.283 7.283 7.863 -0.580 19579 2156 1 4 . 1 1 28 28 ASN N N 28 119.671 119.671 120.221 -0.550 19579 2157 1 4 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.476 -0.121 19579 2158 1 4 . 1 1 28 28 ASN C C 28 177.667 177.667 177.998 -0.331 19579 2159 1 4 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.098 -0.007 19579 2160 1 4 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.898 0.423 19579 2161 1 4 . 1 1 28 28 ASN H H 28 8.374 8.374 8.194 0.180 19579 2162 1 4 . 1 1 29 29 ARG N N 29 116.957 116.957 118.667 -1.710 19579 2163 1 4 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.221 -0.103 19579 2164 1 4 . 1 1 29 29 ARG C C 29 177.457 177.457 177.121 0.336 19579 2165 1 4 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.211 1.484 19579 2166 1 4 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.884 0.252 19579 2167 1 4 . 1 1 29 29 ARG H H 29 7.860 7.860 7.580 0.280 19579 2168 1 4 . 1 1 30 30 LEU N N 30 121.060 121.060 119.101 1.959 19579 2169 1 4 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.199 -0.245 19579 2170 1 4 . 1 1 30 30 LEU C C 30 174.975 174.975 178.235 -3.260 19579 2171 1 4 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.951 0.271 19579 2172 1 4 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.937 -0.979 19579 2173 1 4 . 1 1 30 30 LEU H H 30 7.524 7.524 7.876 -0.352 19579 2174 1 4 . 1 1 31 31 SER N N 31 106.764 106.764 113.847 -7.083 19579 2175 1 4 . 1 1 31 31 SER HA H 31 4.523 4.523 4.479 0.044 19579 2176 1 4 . 1 1 31 31 SER C C 31 174.666 174.666 173.742 0.924 19579 2177 1 4 . 1 1 31 31 SER CA C 31 57.680 57.680 58.326 -0.646 19579 2178 1 4 . 1 1 31 31 SER CB C 31 63.290 63.290 61.372 1.918 19579 2179 1 4 . 1 1 31 31 SER H H 31 7.046 7.046 7.959 -0.913 19579 2180 1 4 . 1 1 32 32 SER N N 32 117.235 117.235 117.390 -0.155 19579 2181 1 4 . 1 1 32 32 SER HA H 32 4.383 4.383 4.691 -0.308 19579 2182 1 4 . 1 1 32 32 SER C C 32 174.677 174.677 174.085 0.592 19579 2183 1 4 . 1 1 32 32 SER CA C 32 58.027 58.027 57.396 0.631 19579 2184 1 4 . 1 1 32 32 SER CB C 32 66.069 66.069 64.711 1.358 19579 2185 1 4 . 1 1 32 32 SER H H 32 7.721 7.721 7.958 -0.237 19579 2186 1 4 . 1 1 33 33 ALA N N 33 126.048 126.048 124.545 1.503 19579 2187 1 4 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.195 -0.097 19579 2188 1 4 . 1 1 33 33 ALA C C 33 180.822 180.822 179.531 1.291 19579 2189 1 4 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.609 0.132 19579 2190 1 4 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.771 -0.742 19579 2191 1 4 . 1 1 33 33 ALA H H 33 8.980 8.980 8.769 0.211 19579 2192 1 4 . 1 1 34 34 GLU N N 34 117.978 117.978 119.743 -1.765 19579 2193 1 4 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.923 0.012 19579 2194 1 4 . 1 1 34 34 GLU C C 34 178.560 178.560 178.616 -0.056 19579 2195 1 4 . 1 1 34 34 GLU CA C 34 60.374 60.374 58.980 1.394 19579 2196 1 4 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.340 -0.527 19579 2197 1 4 . 1 1 34 34 GLU H H 34 8.993 8.993 7.927 1.066 19579 2198 1 4 . 1 1 35 35 ALA N N 35 123.748 123.748 122.072 1.676 19579 2199 1 4 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.333 -0.282 19579 2200 1 4 . 1 1 35 35 ALA C C 35 179.101 179.101 179.691 -0.590 19579 2201 1 4 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.924 0.495 19579 2202 1 4 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.339 0.945 19579 2203 1 4 . 1 1 35 35 ALA H H 35 7.443 7.443 8.278 -0.835 19579 2204 1 4 . 1 1 36 36 ALA N N 36 118.503 118.503 119.887 -1.384 19579 2205 1 4 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.883 -0.128 19579 2206 1 4 . 1 1 36 36 ALA C C 36 180.745 180.745 179.295 1.450 19579 2207 1 4 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.275 0.266 19579 2208 1 4 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.081 -1.055 19579 2209 1 4 . 1 1 36 36 ALA H H 36 7.484 7.484 7.952 -0.468 19579 2210 1 4 . 1 1 37 37 SER N N 37 114.688 114.688 113.524 1.164 19579 2211 1 4 . 1 1 37 37 SER HA H 37 4.170 4.170 4.307 -0.137 19579 2212 1 4 . 1 1 37 37 SER C C 37 177.214 177.214 176.866 0.348 19579 2213 1 4 . 1 1 37 37 SER CA C 37 61.628 61.628 60.712 0.916 19579 2214 1 4 . 1 1 37 37 SER CB C 37 62.653 62.653 63.007 -0.354 19579 2215 1 4 . 1 1 37 37 SER H H 37 8.178 8.178 7.650 0.528 19579 2216 1 4 . 1 1 38 38 ARG N N 38 123.817 123.817 121.527 2.290 19579 2217 1 4 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.129 -0.125 19579 2218 1 4 . 1 1 38 38 ARG C C 38 179.564 179.564 178.754 0.810 19579 2219 1 4 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.168 1.489 19579 2220 1 4 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.565 1.248 19579 2221 1 4 . 1 1 38 38 ARG H H 38 7.882 7.882 8.166 -0.284 19579 2222 1 4 . 1 1 39 39 VAL N N 39 120.446 120.446 119.845 0.601 19579 2223 1 4 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.654 -0.325 19579 2224 1 4 . 1 1 39 39 VAL C C 39 178.505 178.505 177.273 1.232 19579 2225 1 4 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.647 1.546 19579 2226 1 4 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.775 -0.205 19579 2227 1 4 . 1 1 39 39 VAL H H 39 8.543 8.543 8.618 -0.075 19579 2228 1 4 . 1 1 40 40 SER N N 40 114.009 114.009 114.631 -0.622 19579 2229 1 4 . 1 1 40 40 SER HA H 40 4.080 4.080 4.052 0.028 19579 2230 1 4 . 1 1 40 40 SER C C 40 176.340 176.340 176.485 -0.145 19579 2231 1 4 . 1 1 40 40 SER CA C 40 62.940 62.940 61.173 1.767 19579 2232 1 4 . 1 1 40 40 SER CB C 40 62.953 62.953 62.440 0.513 19579 2233 1 4 . 1 1 40 40 SER H H 40 8.602 8.602 7.954 0.648 19579 2234 1 4 . 1 1 41 41 SER N N 41 114.648 114.648 115.378 -0.730 19579 2235 1 4 . 1 1 41 41 SER HA H 41 4.333 4.333 4.420 -0.087 19579 2236 1 4 . 1 1 41 41 SER C C 41 174.390 174.390 175.639 -1.249 19579 2237 1 4 . 1 1 41 41 SER CA C 41 60.828 60.828 59.868 0.960 19579 2238 1 4 . 1 1 41 41 SER CB C 41 63.563 63.563 63.382 0.181 19579 2239 1 4 . 1 1 41 41 SER H H 41 8.003 8.003 7.720 0.283 19579 2240 1 4 . 1 1 42 42 ASN N N 42 117.849 117.849 118.900 -1.051 19579 2241 1 4 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.757 0.207 19579 2242 1 4 . 1 1 42 42 ASN C C 42 174.677 174.677 176.874 -2.197 19579 2243 1 4 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.481 0.882 19579 2244 1 4 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.393 1.873 19579 2245 1 4 . 1 1 42 42 ASN H H 42 7.600 7.600 7.821 -0.221 19579 2246 1 4 . 1 1 43 43 ILE N N 43 116.952 116.952 118.036 -1.084 19579 2247 1 4 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.806 -0.135 19579 2248 1 4 . 1 1 43 43 ILE C C 43 176.773 176.773 176.823 -0.050 19579 2249 1 4 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.445 -0.218 19579 2250 1 4 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.248 0.162 19579 2251 1 4 . 1 1 43 43 ILE H H 43 7.336 7.336 8.734 -1.398 19579 2252 1 4 . 1 1 44 44 ALA N N 44 122.396 122.396 121.882 0.514 19579 2253 1 4 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.051 -0.015 19579 2254 1 4 . 1 1 44 44 ALA C C 44 180.304 180.304 178.502 1.802 19579 2255 1 4 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.524 0.864 19579 2256 1 4 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.159 -0.671 19579 2257 1 4 . 1 1 44 44 ALA H H 44 8.617 8.617 8.255 0.362 19579 2258 1 4 . 1 1 45 45 ALA N N 45 120.804 120.804 120.907 -0.103 19579 2259 1 4 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.229 -0.176 19579 2260 1 4 . 1 1 45 45 ALA C C 45 180.591 180.591 179.810 0.781 19579 2261 1 4 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.847 0.905 19579 2262 1 4 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.514 -0.897 19579 2263 1 4 . 1 1 45 45 ALA H H 45 7.913 7.913 7.520 0.393 19579 2264 1 4 . 1 1 46 46 ILE N N 46 117.637 117.637 120.070 -2.433 19579 2265 1 4 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.768 -0.140 19579 2266 1 4 . 1 1 46 46 ILE C C 46 177.612 177.612 178.474 -0.862 19579 2267 1 4 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.653 -1.374 19579 2268 1 4 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.783 -0.123 19579 2269 1 4 . 1 1 46 46 ILE H H 46 7.313 7.313 7.865 -0.552 19579 2270 1 4 . 1 1 47 47 ALA N N 47 121.493 121.493 122.082 -0.589 19579 2271 1 4 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.154 -0.210 19579 2272 1 4 . 1 1 47 47 ALA C C 47 178.538 178.538 178.346 0.192 19579 2273 1 4 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.450 0.937 19579 2274 1 4 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.329 0.649 19579 2275 1 4 . 1 1 47 47 ALA H H 47 8.413 8.413 8.374 0.039 19579 2276 1 4 . 1 1 48 48 SER N N 48 109.024 109.024 112.785 -3.761 19579 2277 1 4 . 1 1 48 48 SER HA H 48 4.352 4.352 4.605 -0.253 19579 2278 1 4 . 1 1 48 48 SER C C 48 176.056 176.056 174.600 1.456 19579 2279 1 4 . 1 1 48 48 SER CA C 48 59.977 59.977 58.733 1.244 19579 2280 1 4 . 1 1 48 48 SER CB C 48 63.838 63.838 64.178 -0.340 19579 2281 1 4 . 1 1 48 48 SER H H 48 8.030 8.030 7.614 0.416 19579 2282 1 4 . 1 1 49 49 GLY N N 49 108.121 108.121 107.772 0.349 19579 2283 1 4 . 1 1 49 49 GLY C C 49 174.820 174.820 174.910 -0.090 19579 2284 1 4 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.360 -0.167 19579 2285 1 4 . 1 1 49 49 GLY H H 49 8.048 8.048 7.543 0.505 19579 2286 1 4 . 1 1 50 50 GLY N N 50 111.955 111.955 109.917 2.038 19579 2287 1 4 . 1 1 50 50 GLY C C 50 174.975 174.975 174.299 0.676 19579 2288 1 4 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.288 -0.106 19579 2289 1 4 . 1 1 50 50 GLY H H 50 8.409 8.409 8.307 0.102 19579 2290 1 4 . 1 1 51 51 ALA N N 51 126.247 126.247 122.213 4.034 19579 2291 1 4 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.628 -0.809 19579 2292 1 4 . 1 1 51 51 ALA C C 51 179.697 179.697 178.918 0.779 19579 2293 1 4 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.895 2.166 19579 2294 1 4 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.689 -1.410 19579 2295 1 4 . 1 1 51 51 ALA H H 51 9.119 9.119 7.534 1.585 19579 2296 1 4 . 1 1 52 52 SER N N 52 111.975 111.975 116.736 -4.761 19579 2297 1 4 . 1 1 52 52 SER HA H 52 4.222 4.222 4.236 -0.014 19579 2298 1 4 . 1 1 52 52 SER C C 52 174.983 174.983 175.222 -0.239 19579 2299 1 4 . 1 1 52 52 SER CA C 52 60.814 60.814 60.399 0.415 19579 2300 1 4 . 1 1 52 52 SER CB C 52 62.977 62.977 63.012 -0.035 19579 2301 1 4 . 1 1 52 52 SER H H 52 8.231 8.231 8.645 -0.414 19579 2302 1 4 . 1 1 53 53 ALA N N 53 122.484 122.484 121.626 0.858 19579 2303 1 4 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.463 -0.061 19579 2304 1 4 . 1 1 53 53 ALA C C 53 177.391 177.391 178.295 -0.904 19579 2305 1 4 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.542 -0.416 19579 2306 1 4 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.737 1.209 19579 2307 1 4 . 1 1 53 53 ALA H H 53 7.602 7.602 8.002 -0.400 19579 2308 1 4 . 1 1 54 54 LEU N N 54 117.414 117.414 120.255 -2.841 19579 2309 1 4 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.127 -0.248 19579 2310 1 4 . 1 1 54 54 LEU C C 54 174.434 174.434 176.095 -1.661 19579 2311 1 4 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.674 0.641 19579 2312 1 4 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.689 -0.069 19579 2313 1 4 . 1 1 54 54 LEU H H 54 7.408 7.408 7.492 -0.084 19579 2314 1 4 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.289 -0.098 19579 2315 1 4 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.446 1.488 19579 2316 1 4 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.075 -0.025 19579 2317 1 4 . 1 1 56 56 SER N N 56 113.559 113.559 111.506 2.053 19579 2318 1 4 . 1 1 56 56 SER HA H 56 4.234 4.234 4.458 -0.224 19579 2319 1 4 . 1 1 56 56 SER C C 56 176.552 176.552 174.567 1.985 19579 2320 1 4 . 1 1 56 56 SER CA C 56 61.233 61.233 59.472 1.761 19579 2321 1 4 . 1 1 56 56 SER CB C 56 62.733 62.733 62.891 -0.158 19579 2322 1 4 . 1 1 56 56 SER H H 56 7.834 7.834 8.291 -0.457 19579 2323 1 4 . 1 1 57 57 VAL N N 57 123.292 123.292 118.626 4.666 19579 2324 1 4 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.342 -0.599 19579 2325 1 4 . 1 1 57 57 VAL C C 57 178.042 178.042 175.943 2.099 19579 2326 1 4 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.284 3.176 19579 2327 1 4 . 1 1 57 57 VAL CB C 57 31.768 31.768 34.246 -2.478 19579 2328 1 4 . 1 1 57 57 VAL H H 57 8.263 8.263 7.578 0.685 19579 2329 1 4 . 1 1 58 58 ILE N N 58 118.510 118.510 120.670 -2.160 19579 2330 1 4 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.765 -0.081 19579 2331 1 4 . 1 1 58 58 ILE C C 58 176.221 176.221 178.440 -2.219 19579 2332 1 4 . 1 1 58 58 ILE CA C 58 65.082 65.082 65.783 -0.701 19579 2333 1 4 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.962 -0.613 19579 2334 1 4 . 1 1 58 58 ILE H H 58 8.873 8.873 8.786 0.087 19579 2335 1 4 . 1 1 59 59 SER N N 59 114.238 114.238 114.200 0.038 19579 2336 1 4 . 1 1 59 59 SER HA H 59 4.305 4.305 4.533 -0.228 19579 2337 1 4 . 1 1 59 59 SER C C 59 177.534 177.534 176.180 1.354 19579 2338 1 4 . 1 1 59 59 SER CA C 59 61.586 61.586 60.446 1.140 19579 2339 1 4 . 1 1 59 59 SER CB C 59 62.951 62.951 63.235 -0.284 19579 2340 1 4 . 1 1 59 59 SER H H 59 7.388 7.388 8.319 -0.931 19579 2341 1 4 . 1 1 60 60 ASN N N 60 120.810 120.810 120.803 0.007 19579 2342 1 4 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.634 -0.274 19579 2343 1 4 . 1 1 60 60 ASN C C 60 178.616 178.616 177.673 0.943 19579 2344 1 4 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.782 0.933 19579 2345 1 4 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.488 0.508 19579 2346 1 4 . 1 1 60 60 ASN H H 60 8.147 8.147 7.920 0.227 19579 2347 1 4 . 1 1 61 61 ILE N N 61 121.116 121.116 121.042 0.074 19579 2348 1 4 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.664 -0.143 19579 2349 1 4 . 1 1 61 61 ILE C C 61 176.972 176.972 177.694 -0.722 19579 2350 1 4 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.344 1.218 19579 2351 1 4 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.004 1.002 19579 2352 1 4 . 1 1 61 61 ILE H H 61 8.642 8.642 7.565 1.077 19579 2353 1 4 . 1 1 62 62 TYR N N 62 119.953 119.953 120.228 -0.275 19579 2354 1 4 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.985 -0.362 19579 2355 1 4 . 1 1 62 62 TYR C C 62 176.828 176.828 177.582 -0.754 19579 2356 1 4 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.816 1.268 19579 2357 1 4 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.264 0.711 19579 2358 1 4 . 1 1 62 62 TYR H H 62 9.192 9.192 7.892 1.300 19579 2359 1 4 . 1 1 63 63 SER N N 63 111.464 111.464 114.029 -2.565 19579 2360 1 4 . 1 1 63 63 SER HA H 63 4.035 4.035 4.198 -0.163 19579 2361 1 4 . 1 1 63 63 SER C C 63 177.325 177.325 176.938 0.387 19579 2362 1 4 . 1 1 63 63 SER CA C 63 62.027 62.027 62.305 -0.278 19579 2363 1 4 . 1 1 63 63 SER CB C 63 62.565 62.565 62.420 0.144 19579 2364 1 4 . 1 1 63 63 SER H H 63 8.320 8.320 7.807 0.513 19579 2365 1 4 . 1 1 64 64 GLY N N 64 110.383 110.383 108.341 2.042 19579 2366 1 4 . 1 1 64 64 GLY C C 64 175.581 175.581 175.741 -0.160 19579 2367 1 4 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.630 0.684 19579 2368 1 4 . 1 1 64 64 GLY H H 64 7.724 7.724 7.448 0.276 19579 2369 1 4 . 1 1 65 65 VAL N N 65 124.665 124.665 121.263 3.402 19579 2370 1 4 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.697 -0.453 19579 2371 1 4 . 1 1 65 65 VAL C C 65 180.072 180.072 177.391 2.681 19579 2372 1 4 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.380 1.624 19579 2373 1 4 . 1 1 65 65 VAL CB C 65 31.708 31.708 32.012 -0.304 19579 2374 1 4 . 1 1 65 65 VAL H H 65 8.584 8.584 7.255 1.329 19579 2375 1 4 . 1 1 66 66 VAL N N 66 120.803 120.803 119.525 1.278 19579 2376 1 4 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.577 0.146 19579 2377 1 4 . 1 1 66 66 VAL C C 66 179.829 179.829 178.544 1.285 19579 2378 1 4 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.243 0.972 19579 2379 1 4 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.707 1.048 19579 2380 1 4 . 1 1 66 66 VAL H H 66 8.305 8.305 7.770 0.535 19579 2381 1 4 . 1 1 67 67 ALA N N 67 123.266 123.266 122.063 1.203 19579 2382 1 4 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.116 0.048 19579 2383 1 4 . 1 1 67 67 ALA C C 67 178.560 178.560 178.890 -0.330 19579 2384 1 4 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.597 -0.173 19579 2385 1 4 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.142 -0.131 19579 2386 1 4 . 1 1 67 67 ALA H H 67 7.979 7.979 7.973 0.006 19579 2387 1 4 . 1 1 68 68 SER N N 68 112.669 112.669 113.913 -1.244 19579 2388 1 4 . 1 1 68 68 SER HA H 68 4.436 4.436 4.352 0.084 19579 2389 1 4 . 1 1 68 68 SER C C 68 174.555 174.555 175.249 -0.694 19579 2390 1 4 . 1 1 68 68 SER CA C 68 59.634 59.634 58.940 0.694 19579 2391 1 4 . 1 1 68 68 SER CB C 68 63.943 63.943 63.824 0.119 19579 2392 1 4 . 1 1 68 68 SER H H 68 7.674 7.674 7.619 0.055 19579 2393 1 4 . 1 1 69 69 GLY N N 69 109.146 109.146 108.741 0.405 19579 2394 1 4 . 1 1 69 69 GLY C C 69 173.904 173.904 173.935 -0.031 19579 2395 1 4 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.681 0.550 19579 2396 1 4 . 1 1 69 69 GLY H H 69 7.939 7.939 7.682 0.257 19579 2397 1 4 . 1 1 70 70 VAL N N 70 119.926 119.926 119.648 0.278 19579 2398 1 4 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.214 -0.304 19579 2399 1 4 . 1 1 70 70 VAL C C 70 174.997 174.997 175.950 -0.953 19579 2400 1 4 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.761 0.523 19579 2401 1 4 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.086 -0.662 19579 2402 1 4 . 1 1 70 70 VAL H H 70 6.723 6.723 7.421 -0.698 19579 2403 1 4 . 1 1 71 71 SER N N 71 120.581 120.581 118.580 2.001 19579 2404 1 4 . 1 1 71 71 SER HA H 71 4.386 4.386 4.469 -0.083 19579 2405 1 4 . 1 1 71 71 SER C C 71 175.559 175.559 175.391 0.168 19579 2406 1 4 . 1 1 71 71 SER CA C 71 58.441 58.441 57.351 1.090 19579 2407 1 4 . 1 1 71 71 SER CB C 71 64.632 64.632 64.336 0.296 19579 2408 1 4 . 1 1 71 71 SER H H 71 8.577 8.577 8.331 0.246 19579 2409 1 4 . 1 1 72 72 SER N N 72 117.898 117.898 119.266 -1.368 19579 2410 1 4 . 1 1 72 72 SER HA H 72 4.083 4.083 4.083 0.000 19579 2411 1 4 . 1 1 72 72 SER C C 72 176.255 176.255 176.469 -0.214 19579 2412 1 4 . 1 1 72 72 SER CA C 72 61.586 61.586 61.708 -0.122 19579 2413 1 4 . 1 1 72 72 SER CB C 72 62.622 62.622 63.088 -0.466 19579 2414 1 4 . 1 1 72 72 SER H H 72 8.889 8.889 8.693 0.196 19579 2415 1 4 . 1 1 73 73 ASN N N 73 118.976 118.976 119.037 -0.061 19579 2416 1 4 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.389 0.268 19579 2417 1 4 . 1 1 73 73 ASN C C 73 176.506 176.506 177.338 -0.832 19579 2418 1 4 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.528 0.533 19579 2419 1 4 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.534 -0.534 19579 2420 1 4 . 1 1 73 73 ASN H H 73 8.519 8.519 8.305 0.214 19579 2421 1 4 . 1 1 74 74 GLU N N 74 118.543 118.543 119.113 -0.570 19579 2422 1 4 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.094 0.016 19579 2423 1 4 . 1 1 74 74 GLU C C 74 176.994 176.994 177.926 -0.932 19579 2424 1 4 . 1 1 74 74 GLU CA C 74 58.026 58.026 57.894 0.132 19579 2425 1 4 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.352 2.011 19579 2426 1 4 . 1 1 74 74 GLU H H 74 7.768 7.768 7.585 0.183 19579 2427 1 4 . 1 1 75 75 ALA N N 75 121.901 121.901 124.470 -2.569 19579 2428 1 4 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.969 -0.279 19579 2429 1 4 . 1 1 75 75 ALA C C 75 178.318 178.318 179.117 -0.799 19579 2430 1 4 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.323 -0.095 19579 2431 1 4 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.373 0.268 19579 2432 1 4 . 1 1 75 75 ALA H H 75 8.069 8.069 8.354 -0.285 19579 2433 1 4 . 1 1 76 76 LEU N N 76 117.360 117.360 119.243 -1.883 19579 2434 1 4 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.209 -0.099 19579 2435 1 4 . 1 1 76 76 LEU C C 76 177.854 177.854 178.672 -0.818 19579 2436 1 4 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.696 0.318 19579 2437 1 4 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.100 -1.332 19579 2438 1 4 . 1 1 76 76 LEU H H 76 8.121 8.121 7.505 0.616 19579 2439 1 4 . 1 1 77 77 ILE N N 77 116.714 116.714 119.180 -2.466 19579 2440 1 4 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.650 -0.198 19579 2441 1 4 . 1 1 77 77 ILE C C 77 176.883 176.883 177.973 -1.090 19579 2442 1 4 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.817 -0.559 19579 2443 1 4 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.983 -0.241 19579 2444 1 4 . 1 1 77 77 ILE H H 77 7.607 7.607 7.349 0.258 19579 2445 1 4 . 1 1 78 78 GLN N N 78 119.338 119.338 119.683 -0.345 19579 2446 1 4 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.870 -0.238 19579 2447 1 4 . 1 1 78 78 GLN C C 78 177.521 177.521 178.218 -0.697 19579 2448 1 4 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.449 0.871 19579 2449 1 4 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.564 -0.389 19579 2450 1 4 . 1 1 78 78 GLN H H 78 8.119 8.119 8.425 -0.306 19579 2451 1 4 . 1 1 79 79 ALA N N 79 119.218 119.218 122.023 -2.805 19579 2452 1 4 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.018 -0.146 19579 2453 1 4 . 1 1 79 79 ALA C C 79 179.311 179.311 179.836 -0.525 19579 2454 1 4 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.116 -0.291 19579 2455 1 4 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.370 -0.551 19579 2456 1 4 . 1 1 79 79 ALA H H 79 8.639 8.639 7.497 1.142 19579 2457 1 4 . 1 1 80 80 LEU N N 80 116.262 116.262 118.614 -2.352 19579 2458 1 4 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.956 -0.057 19579 2459 1 4 . 1 1 80 80 LEU C C 80 178.914 178.914 179.163 -0.249 19579 2460 1 4 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.473 0.538 19579 2461 1 4 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.734 -0.119 19579 2462 1 4 . 1 1 80 80 LEU H H 80 8.450 8.450 7.615 0.835 19579 2463 1 4 . 1 1 81 81 LEU N N 81 118.995 118.995 120.002 -1.007 19579 2464 1 4 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.856 0.116 19579 2465 1 4 . 1 1 81 81 LEU C C 81 180.127 180.127 179.364 0.763 19579 2466 1 4 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.093 -0.110 19579 2467 1 4 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.297 1.246 19579 2468 1 4 . 1 1 81 81 LEU H H 81 8.151 8.151 8.389 -0.238 19579 2469 1 4 . 1 1 82 82 GLU N N 82 124.890 124.890 118.757 6.133 19579 2470 1 4 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.020 -0.387 19579 2471 1 4 . 1 1 82 82 GLU C C 82 178.505 178.505 179.390 -0.885 19579 2472 1 4 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.193 2.107 19579 2473 1 4 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.491 0.288 19579 2474 1 4 . 1 1 82 82 GLU H H 82 8.659 8.659 7.952 0.707 19579 2475 1 4 . 1 1 83 83 LEU N N 83 121.487 121.487 121.120 0.367 19579 2476 1 4 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.137 -0.317 19579 2477 1 4 . 1 1 83 83 LEU C C 83 178.163 178.163 178.901 -0.738 19579 2478 1 4 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.777 0.378 19579 2479 1 4 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.401 0.233 19579 2480 1 4 . 1 1 83 83 LEU H H 83 8.658 8.658 7.594 1.064 19579 2481 1 4 . 1 1 84 84 LEU N N 84 118.904 118.904 117.511 1.393 19579 2482 1 4 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.188 -0.402 19579 2483 1 4 . 1 1 84 84 LEU C C 84 178.064 178.064 178.808 -0.744 19579 2484 1 4 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.936 1.727 19579 2485 1 4 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.407 1.798 19579 2486 1 4 . 1 1 84 84 LEU H H 84 8.803 8.803 8.432 0.371 19579 2487 1 4 . 1 1 85 85 SER N N 85 114.347 114.347 114.121 0.226 19579 2488 1 4 . 1 1 85 85 SER HA H 85 4.211 4.211 4.517 -0.306 19579 2489 1 4 . 1 1 85 85 SER C C 85 174.633 174.633 175.673 -1.040 19579 2490 1 4 . 1 1 85 85 SER CA C 85 62.957 62.957 59.803 3.154 19579 2491 1 4 . 1 1 85 85 SER CB C 85 62.947 62.947 63.819 -0.872 19579 2492 1 4 . 1 1 85 85 SER H H 85 7.879 7.879 7.767 0.112 19579 2493 1 4 . 1 1 86 86 ALA N N 86 124.206 124.206 125.726 -1.520 19579 2494 1 4 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.081 -0.311 19579 2495 1 4 . 1 1 86 86 ALA C C 86 178.538 178.538 179.268 -0.730 19579 2496 1 4 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.420 -0.054 19579 2497 1 4 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.374 -1.030 19579 2498 1 4 . 1 1 86 86 ALA H H 86 8.199 8.199 7.620 0.579 19579 2499 1 4 . 1 1 87 87 LEU N N 87 116.463 116.463 115.558 0.905 19579 2500 1 4 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.164 -0.343 19579 2501 1 4 . 1 1 87 87 LEU C C 87 178.709 178.709 178.497 0.212 19579 2502 1 4 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.645 0.709 19579 2503 1 4 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.370 2.224 19579 2504 1 4 . 1 1 87 87 LEU H H 87 8.140 8.140 7.507 0.633 19579 2505 1 4 . 1 1 88 88 VAL N N 88 118.854 118.854 120.502 -1.648 19579 2506 1 4 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.570 -0.167 19579 2507 1 4 . 1 1 88 88 VAL C C 88 177.766 177.766 178.078 -0.312 19579 2508 1 4 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.780 -0.115 19579 2509 1 4 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.487 -0.040 19579 2510 1 4 . 1 1 88 88 VAL H H 88 8.716 8.716 7.549 1.167 19579 2511 1 4 . 1 1 89 89 HIS N N 89 121.227 121.227 118.955 2.272 19579 2512 1 4 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.254 -0.215 19579 2513 1 4 . 1 1 89 89 HIS C C 89 178.880 178.880 177.136 1.744 19579 2514 1 4 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.453 1.869 19579 2515 1 4 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.453 1.295 19579 2516 1 4 . 1 1 89 89 HIS H H 89 8.664 8.664 7.589 1.075 19579 2517 1 4 . 1 1 90 90 VAL N N 90 118.094 118.094 117.964 0.130 19579 2518 1 4 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.980 -0.413 19579 2519 1 4 . 1 1 90 90 VAL C C 90 177.733 177.733 177.928 -0.195 19579 2520 1 4 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.468 1.362 19579 2521 1 4 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.406 0.194 19579 2522 1 4 . 1 1 90 90 VAL H H 90 7.994 7.994 7.523 0.471 19579 2523 1 4 . 1 1 91 91 LEU N N 91 119.672 119.672 121.613 -1.941 19579 2524 1 4 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.112 -0.280 19579 2525 1 4 . 1 1 91 91 LEU C C 91 178.869 178.869 178.693 0.176 19579 2526 1 4 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.721 0.037 19579 2527 1 4 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.202 1.737 19579 2528 1 4 . 1 1 91 91 LEU H H 91 8.393 8.393 8.611 -0.218 19579 2529 1 4 . 1 1 92 92 SER N N 92 113.554 113.554 112.369 1.185 19579 2530 1 4 . 1 1 92 92 SER HA H 92 4.297 4.297 4.248 0.049 19579 2531 1 4 . 1 1 92 92 SER C C 92 174.500 174.500 175.530 -1.030 19579 2532 1 4 . 1 1 92 92 SER CA C 92 61.410 61.410 60.789 0.621 19579 2533 1 4 . 1 1 92 92 SER CB C 92 63.254 63.254 62.839 0.415 19579 2534 1 4 . 1 1 92 92 SER H H 92 7.900 7.900 7.685 0.215 19579 2535 1 4 . 1 1 93 93 SER N N 93 115.055 115.055 115.207 -0.152 19579 2536 1 4 . 1 1 93 93 SER HA H 93 4.704 4.704 4.683 0.021 19579 2537 1 4 . 1 1 93 93 SER C C 93 173.044 173.044 174.296 -1.252 19579 2538 1 4 . 1 1 93 93 SER CA C 93 57.967 57.967 58.578 -0.611 19579 2539 1 4 . 1 1 93 93 SER CB C 93 64.574 64.574 63.998 0.576 19579 2540 1 4 . 1 1 93 93 SER H H 93 7.420 7.420 7.516 -0.096 19579 2541 1 4 . 1 1 94 94 ALA N N 94 124.504 124.504 124.874 -0.370 19579 2542 1 4 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.270 0.359 19579 2543 1 4 . 1 1 94 94 ALA C C 94 176.199 176.199 177.521 -1.322 19579 2544 1 4 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.318 -1.849 19579 2545 1 4 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.149 2.471 19579 2546 1 4 . 1 1 94 94 ALA H H 94 7.476 7.476 7.221 0.255 19579 2547 1 4 . 1 1 95 95 SER N N 95 115.739 115.739 113.251 2.488 19579 2548 1 4 . 1 1 95 95 SER HA H 95 4.758 4.758 4.146 0.612 19579 2549 1 4 . 1 1 95 95 SER C C 95 174.136 174.136 174.036 0.100 19579 2550 1 4 . 1 1 95 95 SER CA C 95 57.343 57.343 59.051 -1.708 19579 2551 1 4 . 1 1 95 95 SER CB C 95 63.303 63.303 60.613 2.690 19579 2552 1 4 . 1 1 95 95 SER H H 95 8.483 8.483 8.047 0.436 19579 2553 1 4 . 1 1 96 96 ILE N N 96 128.288 128.288 121.854 6.434 19579 2554 1 4 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.134 -0.141 19579 2555 1 4 . 1 1 96 96 ILE C C 96 175.868 175.868 176.319 -0.451 19579 2556 1 4 . 1 1 96 96 ILE CA C 96 61.362 61.362 61.931 -0.569 19579 2557 1 4 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.716 -0.103 19579 2558 1 4 . 1 1 96 96 ILE H H 96 8.869 8.869 8.159 0.710 19579 2559 1 4 . 1 1 97 97 GLY N N 97 115.495 115.495 116.763 -1.268 19579 2560 1 4 . 1 1 97 97 GLY C C 97 173.022 173.022 173.633 -0.611 19579 2561 1 4 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.761 0.109 19579 2562 1 4 . 1 1 97 97 GLY H H 97 8.272 8.272 8.368 -0.096 19579 2563 1 4 . 1 1 98 98 ASN N N 98 120.819 120.819 119.470 1.349 19579 2564 1 4 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.837 -0.189 19579 2565 1 4 . 1 1 98 98 ASN C C 98 174.809 174.809 174.520 0.289 19579 2566 1 4 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.655 0.771 19579 2567 1 4 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.644 -0.979 19579 2568 1 4 . 1 1 98 98 ASN H H 98 8.420 8.420 8.391 0.029 19579 2569 1 4 . 1 1 99 99 VAL N N 99 122.960 122.960 123.986 -1.026 19579 2570 1 4 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.215 -0.041 19579 2571 1 4 . 1 1 99 99 VAL C C 99 174.500 174.500 175.955 -1.455 19579 2572 1 4 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.729 -0.361 19579 2573 1 4 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.199 0.207 19579 2574 1 4 . 1 1 99 99 VAL H H 99 8.292 8.292 8.345 -0.053 19579 2575 1 4 . 1 1 100 100 SER N N 100 120.723 120.723 121.232 -0.509 19579 2576 1 4 . 1 1 100 100 SER HA H 100 4.756 4.756 4.622 0.134 19579 2577 1 4 . 1 1 100 100 SER C C 100 174.235 174.235 175.037 -0.802 19579 2578 1 4 . 1 1 100 100 SER CA C 100 56.687 56.687 58.020 -1.333 19579 2579 1 4 . 1 1 100 100 SER CB C 100 64.904 64.904 63.959 0.945 19579 2580 1 4 . 1 1 100 100 SER H H 100 8.644 8.644 8.562 0.082 19579 2581 1 4 . 1 1 101 101 SER N N 101 117.236 117.236 122.382 -5.146 19579 2582 1 4 . 1 1 101 101 SER HA H 101 4.130 4.130 4.522 -0.392 19579 2583 1 4 . 1 1 101 101 SER CA C 101 59.000 59.000 59.048 -0.048 19579 2584 1 4 . 1 1 101 101 SER CB C 101 63.104 63.104 62.365 0.739 19579 2585 1 4 . 1 1 102 102 VAL N N 102 124.874 124.874 122.466 2.408 19579 2586 1 4 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.128 -0.307 19579 2587 1 4 . 1 1 102 102 VAL C C 102 177.545 177.545 174.876 2.669 19579 2588 1 4 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.404 2.178 19579 2589 1 4 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.302 -1.822 19579 2590 1 4 . 1 1 102 102 VAL H H 102 8.090 8.090 7.968 0.122 19579 2591 1 4 . 1 1 103 103 GLY N N 103 114.589 114.589 114.830 -0.241 19579 2592 1 4 . 1 1 103 103 GLY C C 103 176.387 176.387 174.752 1.635 19579 2593 1 4 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.849 0.837 19579 2594 1 4 . 1 1 103 103 GLY H H 103 9.051 9.051 8.362 0.689 19579 2595 1 4 . 1 1 104 104 VAL N N 104 121.976 121.976 121.215 0.761 19579 2596 1 4 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.755 -0.407 19579 2597 1 4 . 1 1 104 104 VAL C C 104 176.045 176.045 177.399 -1.354 19579 2598 1 4 . 1 1 104 104 VAL CA C 104 65.889 65.889 63.799 2.090 19579 2599 1 4 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.527 -0.262 19579 2600 1 4 . 1 1 104 104 VAL H H 104 7.753 7.753 8.159 -0.406 19579 2601 1 4 . 1 1 105 105 ASP N N 105 117.868 117.868 119.931 -2.063 19579 2602 1 4 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.262 -0.111 19579 2603 1 4 . 1 1 105 105 ASP C C 105 178.406 178.406 178.068 0.338 19579 2604 1 4 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.741 -1.031 19579 2605 1 4 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.868 -2.216 19579 2606 1 4 . 1 1 105 105 ASP H H 105 8.719 8.719 8.829 -0.110 19579 2607 1 4 . 1 1 106 106 SER N N 106 117.500 117.500 113.339 4.161 19579 2608 1 4 . 1 1 106 106 SER HA H 106 4.306 4.306 4.278 0.028 19579 2609 1 4 . 1 1 106 106 SER C C 106 176.784 176.784 176.384 0.400 19579 2610 1 4 . 1 1 106 106 SER CA C 106 61.523 61.523 61.388 0.135 19579 2611 1 4 . 1 1 106 106 SER CB C 106 62.480 62.480 62.933 -0.453 19579 2612 1 4 . 1 1 106 106 SER H H 106 7.685 7.685 7.846 -0.162 19579 2613 1 4 . 1 1 107 107 THR N N 107 121.741 121.741 119.531 2.210 19579 2614 1 4 . 1 1 107 107 THR HA H 107 4.373 4.373 4.168 0.205 19579 2615 1 4 . 1 1 107 107 THR C C 107 176.227 176.227 176.730 -0.503 19579 2616 1 4 . 1 1 107 107 THR CA C 107 66.648 66.648 65.916 0.732 19579 2617 1 4 . 1 1 107 107 THR CB C 107 66.884 66.884 68.852 -1.968 19579 2618 1 4 . 1 1 107 107 THR H H 107 8.024 8.024 7.322 0.702 19579 2619 1 4 . 1 1 108 108 LEU N N 108 122.175 122.175 122.213 -0.038 19579 2620 1 4 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.896 0.020 19579 2621 1 4 . 1 1 108 108 LEU C C 108 178.560 178.560 178.188 0.372 19579 2622 1 4 . 1 1 108 108 LEU CA C 108 59.169 59.169 58.094 1.075 19579 2623 1 4 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.292 -0.263 19579 2624 1 4 . 1 1 108 108 LEU H H 108 8.475 8.475 8.516 -0.041 19579 2625 1 4 . 1 1 109 109 ASN N N 109 116.499 116.499 117.667 -1.168 19579 2626 1 4 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.594 -0.108 19579 2627 1 4 . 1 1 109 109 ASN C C 109 177.181 177.181 177.528 -0.347 19579 2628 1 4 . 1 1 109 109 ASN CA C 109 56.499 56.499 56.030 0.469 19579 2629 1 4 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.600 0.385 19579 2630 1 4 . 1 1 109 109 ASN H H 109 7.567 7.567 7.707 -0.140 19579 2631 1 4 . 1 1 110 110 VAL N N 110 121.382 121.382 119.772 1.610 19579 2632 1 4 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.776 0.101 19579 2633 1 4 . 1 1 110 110 VAL C C 110 180.116 180.116 177.894 2.222 19579 2634 1 4 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.332 -0.095 19579 2635 1 4 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.727 -0.167 19579 2636 1 4 . 1 1 110 110 VAL H H 110 7.978 7.978 7.619 0.359 19579 2637 1 4 . 1 1 111 111 VAL N N 111 123.748 123.748 120.728 3.020 19579 2638 1 4 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.898 -0.540 19579 2639 1 4 . 1 1 111 111 VAL C C 111 177.424 177.424 177.391 0.033 19579 2640 1 4 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.866 3.316 19579 2641 1 4 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.873 -0.767 19579 2642 1 4 . 1 1 111 111 VAL H H 111 8.228 8.228 7.457 0.771 19579 2643 1 4 . 1 1 112 112 GLN N N 112 120.331 120.331 119.017 1.314 19579 2644 1 4 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.908 -0.310 19579 2645 1 4 . 1 1 112 112 GLN C C 112 178.329 178.329 178.441 -0.112 19579 2646 1 4 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.410 0.899 19579 2647 1 4 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.345 1.796 19579 2648 1 4 . 1 1 112 112 GLN H H 112 8.719 8.719 7.721 0.998 19579 2649 1 4 . 1 1 113 113 ASP N N 113 117.931 117.931 117.403 0.528 19579 2650 1 4 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.482 -0.132 19579 2651 1 4 . 1 1 113 113 ASP C C 113 178.406 178.406 176.999 1.407 19579 2652 1 4 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.592 0.437 19579 2653 1 4 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.969 0.324 19579 2654 1 4 . 1 1 113 113 ASP H H 113 8.410 8.410 7.782 0.628 19579 2655 1 4 . 1 1 114 114 SER N N 114 113.798 113.798 113.528 0.270 19579 2656 1 4 . 1 1 114 114 SER HA H 114 4.310 4.310 4.369 -0.059 19579 2657 1 4 . 1 1 114 114 SER C C 114 175.416 175.416 175.690 -0.274 19579 2658 1 4 . 1 1 114 114 SER CA C 114 61.981 61.981 60.330 1.651 19579 2659 1 4 . 1 1 114 114 SER CB C 114 63.618 63.618 64.050 -0.432 19579 2660 1 4 . 1 1 114 114 SER H H 114 7.973 7.973 7.338 0.635 19579 2661 1 4 . 1 1 115 115 VAL N N 115 115.306 115.306 121.457 -6.151 19579 2662 1 4 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.385 -0.178 19579 2663 1 4 . 1 1 115 115 VAL C C 115 177.325 177.325 177.128 0.197 19579 2664 1 4 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.550 0.714 19579 2665 1 4 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.157 0.210 19579 2666 1 4 . 1 1 115 115 VAL H H 115 8.090 8.090 8.238 -0.148 19579 2667 1 4 . 1 1 116 116 GLY N N 116 107.952 107.952 109.213 -1.261 19579 2668 1 4 . 1 1 116 116 GLY C C 116 175.129 175.129 174.798 0.331 19579 2669 1 4 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.558 0.272 19579 2670 1 4 . 1 1 116 116 GLY H H 116 7.991 7.991 7.963 0.028 19579 2671 1 4 . 1 1 117 117 GLN N N 117 116.191 116.191 118.152 -1.961 19579 2672 1 4 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.014 0.039 19579 2673 1 4 . 1 1 117 117 GLN C C 117 176.056 176.056 176.148 -0.092 19579 2674 1 4 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.246 -0.190 19579 2675 1 4 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.639 0.853 19579 2676 1 4 . 1 1 117 117 GLN H H 117 7.721 7.721 7.958 -0.237 19579 2677 1 4 . 1 1 118 118 TYR N N 118 116.504 116.504 118.040 -1.536 19579 2678 1 4 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.346 -0.120 19579 2679 1 4 . 1 1 118 118 TYR C C 118 174.919 174.919 177.484 -2.565 19579 2680 1 4 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.632 -0.981 19579 2681 1 4 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.737 -0.746 19579 2682 1 4 . 1 1 118 118 TYR H H 118 7.685 7.685 7.744 -0.059 19579 2683 1 4 . 1 1 119 119 VAL N N 119 115.145 115.145 117.133 -1.988 19579 2684 1 4 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.885 0.309 19579 2685 1 4 . 1 1 119 119 VAL C C 119 174.666 174.666 177.044 -2.378 19579 2686 1 4 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.801 -1.839 19579 2687 1 4 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.871 0.746 19579 2688 1 4 . 1 1 119 119 VAL H H 119 7.132 7.132 7.645 -0.513 19579 2689 1 5 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.289 0.587 19579 2690 1 5 . 1 1 -2 -2 ASN N N -2 118.808 118.808 117.962 0.846 19579 2691 1 5 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.754 0.430 19579 2692 1 5 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.902 0.497 19579 2693 1 5 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.467 -0.160 19579 2694 1 5 . 1 1 2 2 THR N N 2 116.876 116.876 122.111 -5.235 19579 2695 1 5 . 1 1 2 2 THR HA H 2 4.348 4.348 4.704 -0.356 19579 2696 1 5 . 1 1 2 2 THR C C 2 174.600 174.600 173.757 0.843 19579 2697 1 5 . 1 1 2 2 THR CA C 2 61.785 61.785 62.545 -0.760 19579 2698 1 5 . 1 1 2 2 THR CB C 2 69.800 69.800 68.972 0.828 19579 2699 1 5 . 1 1 2 2 THR H H 2 8.176 8.176 8.401 -0.225 19579 2700 1 5 . 1 1 3 3 SER N N 3 117.968 117.968 120.305 -2.337 19579 2701 1 5 . 1 1 3 3 SER C C 3 174.732 174.732 174.146 0.586 19579 2702 1 5 . 1 1 3 3 SER CA C 3 58.585 58.585 56.807 1.778 19579 2703 1 5 . 1 1 3 3 SER H H 3 8.248 8.248 8.408 -0.160 19579 2704 1 5 . 1 1 5 5 GLY N N 5 108.381 108.381 108.624 -0.243 19579 2705 1 5 . 1 1 5 5 GLY C C 5 173.728 173.728 173.929 -0.201 19579 2706 1 5 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.967 0.248 19579 2707 1 5 . 1 1 5 5 GLY H H 5 8.134 8.134 8.096 0.038 19579 2708 1 5 . 1 1 6 6 TYR N N 6 120.011 120.011 124.374 -4.363 19579 2709 1 5 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.394 0.070 19579 2710 1 5 . 1 1 6 6 TYR C C 6 176.232 176.232 176.496 -0.264 19579 2711 1 5 . 1 1 6 6 TYR CA C 6 58.175 58.175 58.329 -0.154 19579 2712 1 5 . 1 1 6 6 TYR CB C 6 38.764 38.764 37.781 0.983 19579 2713 1 5 . 1 1 6 6 TYR H H 6 8.096 8.096 8.143 -0.047 19579 2714 1 5 . 1 1 7 7 GLY N N 7 110.530 110.530 113.650 -3.120 19579 2715 1 5 . 1 1 7 7 GLY C C 7 173.772 173.772 173.145 0.627 19579 2716 1 5 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.215 0.007 19579 2717 1 5 . 1 1 7 7 GLY H H 7 8.283 8.283 8.436 -0.153 19579 2718 1 5 . 1 1 8 8 TYR N N 8 120.132 120.132 123.523 -3.391 19579 2719 1 5 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.740 -0.257 19579 2720 1 5 . 1 1 8 8 TYR C C 8 176.420 176.420 175.116 1.304 19579 2721 1 5 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.793 0.541 19579 2722 1 5 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.045 -0.301 19579 2723 1 5 . 1 1 8 8 TYR H H 8 7.987 7.987 8.421 -0.434 19579 2724 1 5 . 1 1 9 9 GLY N N 9 110.831 110.831 111.932 -1.101 19579 2725 1 5 . 1 1 9 9 GLY C C 9 174.335 174.335 175.056 -0.721 19579 2726 1 5 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.437 0.012 19579 2727 1 5 . 1 1 9 9 GLY H H 9 8.400 8.400 8.628 -0.228 19579 2728 1 5 . 1 1 10 10 THR N N 10 113.216 113.216 115.495 -2.279 19579 2729 1 5 . 1 1 10 10 THR HA H 10 4.366 4.366 4.286 0.080 19579 2730 1 5 . 1 1 10 10 THR C C 10 174.721 174.721 175.545 -0.824 19579 2731 1 5 . 1 1 10 10 THR CA C 10 61.829 61.829 61.920 -0.091 19579 2732 1 5 . 1 1 10 10 THR CB C 10 69.881 69.881 69.091 0.790 19579 2733 1 5 . 1 1 10 10 THR H H 10 8.012 8.012 8.597 -0.585 19579 2734 1 5 . 1 1 11 11 SER N N 11 117.904 117.904 119.822 -1.918 19579 2735 1 5 . 1 1 11 11 SER HA H 11 4.414 4.414 4.495 -0.081 19579 2736 1 5 . 1 1 11 11 SER C C 11 174.335 174.335 173.704 0.631 19579 2737 1 5 . 1 1 11 11 SER CA C 11 58.363 58.363 58.686 -0.323 19579 2738 1 5 . 1 1 11 11 SER CB C 11 63.911 63.911 61.816 2.095 19579 2739 1 5 . 1 1 11 11 SER H H 11 8.342 8.342 8.132 0.210 19579 2740 1 5 . 1 1 12 12 ALA N N 12 126.003 126.003 124.293 1.710 19579 2741 1 5 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.392 -0.154 19579 2742 1 5 . 1 1 12 12 ALA C C 12 177.468 177.468 175.918 1.550 19579 2743 1 5 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.139 0.633 19579 2744 1 5 . 1 1 12 12 ALA CB C 12 19.088 19.088 20.015 -0.927 19579 2745 1 5 . 1 1 12 12 ALA H H 12 8.274 8.274 7.985 0.289 19579 2746 1 5 . 1 1 13 13 ALA N N 13 122.954 122.954 122.310 0.644 19579 2747 1 5 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.329 -0.104 19579 2748 1 5 . 1 1 13 13 ALA C C 13 178.207 178.207 178.571 -0.364 19579 2749 1 5 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.624 -0.045 19579 2750 1 5 . 1 1 13 13 ALA CB C 13 19.291 19.291 18.628 0.662 19579 2751 1 5 . 1 1 13 13 ALA H H 13 8.121 8.121 8.214 -0.093 19579 2752 1 5 . 1 1 14 14 ALA N N 14 123.733 123.733 127.757 -4.024 19579 2753 1 5 . 1 1 14 14 ALA HA H 14 4.257 4.257 3.918 0.339 19579 2754 1 5 . 1 1 14 14 ALA C C 14 178.227 178.227 178.664 -0.437 19579 2755 1 5 . 1 1 14 14 ALA CA C 14 52.749 52.749 53.649 -0.900 19579 2756 1 5 . 1 1 14 14 ALA CB C 14 19.276 19.276 17.411 1.865 19579 2757 1 5 . 1 1 14 14 ALA H H 14 8.262 8.262 8.654 -0.392 19579 2758 1 5 . 1 1 15 15 GLY N N 15 108.014 108.014 109.032 -1.018 19579 2759 1 5 . 1 1 15 15 GLY C C 15 173.849 173.849 173.316 0.533 19579 2760 1 5 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.533 0.778 19579 2761 1 5 . 1 1 15 15 GLY H H 15 8.239 8.239 8.219 0.020 19579 2762 1 5 . 1 1 16 16 ALA N N 16 123.529 123.529 125.197 -1.668 19579 2763 1 5 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.656 -0.358 19579 2764 1 5 . 1 1 16 16 ALA C C 16 178.108 178.108 175.798 2.310 19579 2765 1 5 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.184 1.527 19579 2766 1 5 . 1 1 16 16 ALA CB C 16 19.316 19.316 19.684 -0.368 19579 2767 1 5 . 1 1 16 16 ALA H H 16 8.102 8.102 7.716 0.386 19579 2768 1 5 . 1 1 17 17 GLY N N 17 108.099 108.099 110.210 -2.111 19579 2769 1 5 . 1 1 17 17 GLY C C 17 174.081 174.081 173.869 0.212 19579 2770 1 5 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.212 0.022 19579 2771 1 5 . 1 1 17 17 GLY H H 17 8.356 8.356 8.559 -0.203 19579 2772 1 5 . 1 1 18 18 VAL N N 18 119.220 119.220 123.551 -4.331 19579 2773 1 5 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.094 -0.027 19579 2774 1 5 . 1 1 18 18 VAL C C 18 175.946 175.946 176.113 -0.167 19579 2775 1 5 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.813 1.470 19579 2776 1 5 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.439 0.325 19579 2777 1 5 . 1 1 18 18 VAL H H 18 7.899 7.899 8.221 -0.322 19579 2778 1 5 . 1 1 19 19 ALA N N 19 127.804 127.804 119.960 7.844 19579 2779 1 5 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.450 0.837 19579 2780 1 5 . 1 1 19 19 ALA C C 19 177.303 177.303 175.474 1.829 19579 2781 1 5 . 1 1 19 19 ALA CA C 19 52.460 52.460 52.992 -0.532 19579 2782 1 5 . 1 1 19 19 ALA CB C 19 19.299 19.299 16.992 2.307 19579 2783 1 5 . 1 1 19 19 ALA H H 19 8.377 8.377 7.820 0.557 19579 2784 1 5 . 1 1 20 20 ALA N N 20 123.602 123.602 119.455 4.147 19579 2785 1 5 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.633 -0.354 19579 2786 1 5 . 1 1 20 20 ALA C C 20 178.086 178.086 177.729 0.357 19579 2787 1 5 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.709 1.043 19579 2788 1 5 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.431 -1.116 19579 2789 1 5 . 1 1 20 20 ALA H H 20 8.261 8.261 7.653 0.608 19579 2790 1 5 . 1 1 21 21 GLY N N 21 108.033 108.033 114.594 -6.561 19579 2791 1 5 . 1 1 21 21 GLY C C 21 174.213 174.213 175.035 -0.822 19579 2792 1 5 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.531 -1.240 19579 2793 1 5 . 1 1 21 21 GLY H H 21 8.323 8.323 9.011 -0.688 19579 2794 1 5 . 1 1 22 22 SER N N 22 115.596 115.596 119.706 -4.110 19579 2795 1 5 . 1 1 22 22 SER HA H 22 4.369 4.369 4.597 -0.228 19579 2796 1 5 . 1 1 22 22 SER C C 22 175.328 175.328 173.083 2.245 19579 2797 1 5 . 1 1 22 22 SER CA C 22 58.686 58.686 58.051 0.635 19579 2798 1 5 . 1 1 22 22 SER CB C 22 63.915 63.915 63.791 0.124 19579 2799 1 5 . 1 1 22 22 SER H H 22 8.118 8.118 8.201 -0.083 19579 2800 1 5 . 1 1 23 23 TYR N N 23 121.490 121.490 119.757 1.733 19579 2801 1 5 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.683 0.086 19579 2802 1 5 . 1 1 23 23 TYR C C 23 175.890 175.890 174.861 1.029 19579 2803 1 5 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.931 0.793 19579 2804 1 5 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.414 -1.551 19579 2805 1 5 . 1 1 23 23 TYR H H 23 8.620 8.620 7.325 1.295 19579 2806 1 5 . 1 1 24 24 ALA N N 24 121.940 121.940 125.026 -3.086 19579 2807 1 5 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.666 -0.785 19579 2808 1 5 . 1 1 24 24 ALA C C 24 179.366 179.366 177.602 1.764 19579 2809 1 5 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.359 3.034 19579 2810 1 5 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.995 -1.455 19579 2811 1 5 . 1 1 24 24 ALA H H 24 8.127 8.127 8.633 -0.506 19579 2812 1 5 . 1 1 25 25 GLY N N 25 106.527 106.527 109.412 -2.885 19579 2813 1 5 . 1 1 25 25 GLY C C 25 175.074 175.074 175.263 -0.189 19579 2814 1 5 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.905 0.292 19579 2815 1 5 . 1 1 25 25 GLY H H 25 8.647 8.647 8.366 0.281 19579 2816 1 5 . 1 1 26 26 ALA N N 26 122.752 122.752 124.614 -1.862 19579 2817 1 5 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.076 -0.049 19579 2818 1 5 . 1 1 26 26 ALA C C 26 177.490 177.490 178.922 -1.432 19579 2819 1 5 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.948 -0.412 19579 2820 1 5 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.285 0.691 19579 2821 1 5 . 1 1 26 26 ALA H H 26 7.552 7.552 8.319 -0.767 19579 2822 1 5 . 1 1 27 27 VAL N N 27 113.110 113.110 113.882 -0.772 19579 2823 1 5 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.844 -0.383 19579 2824 1 5 . 1 1 27 27 VAL C C 27 179.366 179.366 178.169 1.197 19579 2825 1 5 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.157 0.406 19579 2826 1 5 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.679 0.416 19579 2827 1 5 . 1 1 27 27 VAL H H 27 7.283 7.283 7.694 -0.411 19579 2828 1 5 . 1 1 28 28 ASN N N 28 119.671 119.671 119.933 -0.262 19579 2829 1 5 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.505 -0.150 19579 2830 1 5 . 1 1 28 28 ASN C C 28 177.667 177.667 178.215 -0.548 19579 2831 1 5 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.082 0.009 19579 2832 1 5 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.727 0.593 19579 2833 1 5 . 1 1 28 28 ASN H H 28 8.374 8.374 8.143 0.231 19579 2834 1 5 . 1 1 29 29 ARG N N 29 116.957 116.957 119.395 -2.438 19579 2835 1 5 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.085 0.033 19579 2836 1 5 . 1 1 29 29 ARG C C 29 177.457 177.457 178.167 -0.710 19579 2837 1 5 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.544 0.151 19579 2838 1 5 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.919 0.218 19579 2839 1 5 . 1 1 29 29 ARG H H 29 7.860 7.860 7.843 0.017 19579 2840 1 5 . 1 1 30 30 LEU N N 30 121.060 121.060 118.103 2.957 19579 2841 1 5 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.206 -0.252 19579 2842 1 5 . 1 1 30 30 LEU C C 30 174.975 174.975 177.667 -2.692 19579 2843 1 5 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.378 0.844 19579 2844 1 5 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.815 -0.857 19579 2845 1 5 . 1 1 30 30 LEU H H 30 7.524 7.524 7.725 -0.201 19579 2846 1 5 . 1 1 31 31 SER N N 31 106.764 106.764 112.963 -6.199 19579 2847 1 5 . 1 1 31 31 SER HA H 31 4.523 4.523 4.510 0.013 19579 2848 1 5 . 1 1 31 31 SER C C 31 174.666 174.666 174.033 0.633 19579 2849 1 5 . 1 1 31 31 SER CA C 31 57.680 57.680 58.673 -0.993 19579 2850 1 5 . 1 1 31 31 SER CB C 31 63.290 63.290 63.276 0.014 19579 2851 1 5 . 1 1 31 31 SER H H 31 7.046 7.046 7.615 -0.569 19579 2852 1 5 . 1 1 32 32 SER N N 32 117.235 117.235 115.309 1.926 19579 2853 1 5 . 1 1 32 32 SER HA H 32 4.383 4.383 4.725 -0.342 19579 2854 1 5 . 1 1 32 32 SER C C 32 174.677 174.677 174.422 0.255 19579 2855 1 5 . 1 1 32 32 SER CA C 32 58.027 58.027 56.748 1.279 19579 2856 1 5 . 1 1 32 32 SER CB C 32 66.069 66.069 64.758 1.311 19579 2857 1 5 . 1 1 32 32 SER H H 32 7.721 7.721 7.333 0.388 19579 2858 1 5 . 1 1 33 33 ALA N N 33 126.048 126.048 127.278 -1.230 19579 2859 1 5 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.132 -0.034 19579 2860 1 5 . 1 1 33 33 ALA C C 33 180.822 180.822 179.342 1.480 19579 2861 1 5 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.423 0.318 19579 2862 1 5 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.857 -0.828 19579 2863 1 5 . 1 1 33 33 ALA H H 33 8.980 8.980 8.835 0.145 19579 2864 1 5 . 1 1 34 34 GLU N N 34 117.978 117.978 119.683 -1.705 19579 2865 1 5 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.911 0.024 19579 2866 1 5 . 1 1 34 34 GLU C C 34 178.560 178.560 178.545 0.015 19579 2867 1 5 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.290 1.084 19579 2868 1 5 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.257 -0.444 19579 2869 1 5 . 1 1 34 34 GLU H H 34 8.993 8.993 7.825 1.168 19579 2870 1 5 . 1 1 35 35 ALA N N 35 123.748 123.748 121.935 1.813 19579 2871 1 5 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.255 -0.204 19579 2872 1 5 . 1 1 35 35 ALA C C 35 179.101 179.101 179.591 -0.490 19579 2873 1 5 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.867 0.552 19579 2874 1 5 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.205 1.079 19579 2875 1 5 . 1 1 35 35 ALA H H 35 7.443 7.443 7.875 -0.432 19579 2876 1 5 . 1 1 36 36 ALA N N 36 118.503 118.503 120.330 -1.827 19579 2877 1 5 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.924 -0.169 19579 2878 1 5 . 1 1 36 36 ALA C C 36 180.745 180.745 179.682 1.063 19579 2879 1 5 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.012 0.529 19579 2880 1 5 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.881 -0.855 19579 2881 1 5 . 1 1 36 36 ALA H H 36 7.484 7.484 7.765 -0.281 19579 2882 1 5 . 1 1 37 37 SER N N 37 114.688 114.688 113.683 1.005 19579 2883 1 5 . 1 1 37 37 SER HA H 37 4.170 4.170 4.152 0.018 19579 2884 1 5 . 1 1 37 37 SER C C 37 177.214 177.214 176.817 0.397 19579 2885 1 5 . 1 1 37 37 SER CA C 37 61.628 61.628 61.612 0.016 19579 2886 1 5 . 1 1 37 37 SER CB C 37 62.653 62.653 62.949 -0.296 19579 2887 1 5 . 1 1 37 37 SER H H 37 8.178 8.178 8.042 0.136 19579 2888 1 5 . 1 1 38 38 ARG N N 38 123.817 123.817 121.826 1.991 19579 2889 1 5 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.154 -0.150 19579 2890 1 5 . 1 1 38 38 ARG C C 38 179.564 179.564 178.779 0.785 19579 2891 1 5 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.168 1.489 19579 2892 1 5 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.367 1.446 19579 2893 1 5 . 1 1 38 38 ARG H H 38 7.882 7.882 7.601 0.281 19579 2894 1 5 . 1 1 39 39 VAL N N 39 120.446 120.446 119.409 1.037 19579 2895 1 5 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.610 -0.281 19579 2896 1 5 . 1 1 39 39 VAL C C 39 178.505 178.505 177.344 1.161 19579 2897 1 5 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.460 1.734 19579 2898 1 5 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.769 -0.199 19579 2899 1 5 . 1 1 39 39 VAL H H 39 8.543 8.543 8.397 0.146 19579 2900 1 5 . 1 1 40 40 SER N N 40 114.009 114.009 114.162 -0.153 19579 2901 1 5 . 1 1 40 40 SER HA H 40 4.080 4.080 4.013 0.067 19579 2902 1 5 . 1 1 40 40 SER C C 40 176.340 176.340 176.079 0.261 19579 2903 1 5 . 1 1 40 40 SER CA C 40 62.940 62.940 61.554 1.386 19579 2904 1 5 . 1 1 40 40 SER CB C 40 62.953 62.953 62.941 0.011 19579 2905 1 5 . 1 1 40 40 SER H H 40 8.602 8.602 8.426 0.176 19579 2906 1 5 . 1 1 41 41 SER N N 41 114.648 114.648 114.199 0.449 19579 2907 1 5 . 1 1 41 41 SER HA H 41 4.333 4.333 4.479 -0.146 19579 2908 1 5 . 1 1 41 41 SER C C 41 174.390 174.390 175.111 -0.721 19579 2909 1 5 . 1 1 41 41 SER CA C 41 60.828 60.828 60.149 0.679 19579 2910 1 5 . 1 1 41 41 SER CB C 41 63.563 63.563 63.483 0.080 19579 2911 1 5 . 1 1 41 41 SER H H 41 8.003 8.003 7.786 0.217 19579 2912 1 5 . 1 1 42 42 ASN N N 42 117.849 117.849 120.515 -2.666 19579 2913 1 5 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.981 -0.017 19579 2914 1 5 . 1 1 42 42 ASN C C 42 174.677 174.677 177.088 -2.411 19579 2915 1 5 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.517 0.847 19579 2916 1 5 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.818 1.448 19579 2917 1 5 . 1 1 42 42 ASN H H 42 7.600 7.600 7.782 -0.182 19579 2918 1 5 . 1 1 43 43 ILE N N 43 116.952 116.952 118.091 -1.139 19579 2919 1 5 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.779 -0.108 19579 2920 1 5 . 1 1 43 43 ILE C C 43 176.773 176.773 176.878 -0.105 19579 2921 1 5 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.420 -0.193 19579 2922 1 5 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.260 0.150 19579 2923 1 5 . 1 1 43 43 ILE H H 43 7.336 7.336 8.725 -1.389 19579 2924 1 5 . 1 1 44 44 ALA N N 44 122.396 122.396 121.823 0.573 19579 2925 1 5 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.000 0.036 19579 2926 1 5 . 1 1 44 44 ALA C C 44 180.304 180.304 178.217 2.087 19579 2927 1 5 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.280 1.108 19579 2928 1 5 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.302 -0.814 19579 2929 1 5 . 1 1 44 44 ALA H H 44 8.617 8.617 8.288 0.329 19579 2930 1 5 . 1 1 45 45 ALA N N 45 120.804 120.804 120.194 0.610 19579 2931 1 5 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.244 -0.191 19579 2932 1 5 . 1 1 45 45 ALA C C 45 180.591 180.591 179.873 0.718 19579 2933 1 5 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.977 0.775 19579 2934 1 5 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.368 -0.751 19579 2935 1 5 . 1 1 45 45 ALA H H 45 7.913 7.913 7.502 0.411 19579 2936 1 5 . 1 1 46 46 ILE N N 46 117.637 117.637 119.773 -2.136 19579 2937 1 5 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.861 -0.233 19579 2938 1 5 . 1 1 46 46 ILE C C 46 177.612 177.612 178.470 -0.858 19579 2939 1 5 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.506 -1.227 19579 2940 1 5 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.786 -0.126 19579 2941 1 5 . 1 1 46 46 ILE H H 46 7.313 7.313 7.671 -0.358 19579 2942 1 5 . 1 1 47 47 ALA N N 47 121.493 121.493 122.198 -0.705 19579 2943 1 5 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.170 -0.226 19579 2944 1 5 . 1 1 47 47 ALA C C 47 178.538 178.538 178.308 0.230 19579 2945 1 5 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.291 1.096 19579 2946 1 5 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.591 0.388 19579 2947 1 5 . 1 1 47 47 ALA H H 47 8.413 8.413 8.352 0.061 19579 2948 1 5 . 1 1 48 48 SER N N 48 109.024 109.024 112.734 -3.710 19579 2949 1 5 . 1 1 48 48 SER HA H 48 4.352 4.352 4.689 -0.337 19579 2950 1 5 . 1 1 48 48 SER C C 48 176.056 176.056 174.168 1.888 19579 2951 1 5 . 1 1 48 48 SER CA C 48 59.977 59.977 58.906 1.071 19579 2952 1 5 . 1 1 48 48 SER CB C 48 63.838 63.838 64.597 -0.758 19579 2953 1 5 . 1 1 48 48 SER H H 48 8.030 8.030 7.558 0.472 19579 2954 1 5 . 1 1 49 49 GLY N N 49 108.121 108.121 108.313 -0.192 19579 2955 1 5 . 1 1 49 49 GLY C C 49 174.820 174.820 175.083 -0.263 19579 2956 1 5 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.223 -0.030 19579 2957 1 5 . 1 1 49 49 GLY H H 49 8.048 8.048 7.595 0.453 19579 2958 1 5 . 1 1 50 50 GLY N N 50 111.955 111.955 110.270 1.685 19579 2959 1 5 . 1 1 50 50 GLY C C 50 174.975 174.975 174.097 0.878 19579 2960 1 5 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.394 -0.212 19579 2961 1 5 . 1 1 50 50 GLY H H 50 8.409 8.409 8.325 0.084 19579 2962 1 5 . 1 1 51 51 ALA N N 51 126.247 126.247 122.285 3.962 19579 2963 1 5 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.661 -0.842 19579 2964 1 5 . 1 1 51 51 ALA C C 51 179.697 179.697 179.011 0.686 19579 2965 1 5 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.374 2.686 19579 2966 1 5 . 1 1 51 51 ALA CB C 51 18.279 18.279 20.009 -1.730 19579 2967 1 5 . 1 1 51 51 ALA H H 51 9.119 9.119 7.698 1.421 19579 2968 1 5 . 1 1 52 52 SER N N 52 111.975 111.975 117.241 -5.266 19579 2969 1 5 . 1 1 52 52 SER HA H 52 4.222 4.222 4.296 -0.074 19579 2970 1 5 . 1 1 52 52 SER C C 52 174.983 174.983 174.790 0.193 19579 2971 1 5 . 1 1 52 52 SER CA C 52 60.814 60.814 60.739 0.075 19579 2972 1 5 . 1 1 52 52 SER CB C 52 62.977 62.977 63.115 -0.139 19579 2973 1 5 . 1 1 52 52 SER H H 52 8.231 8.231 8.508 -0.277 19579 2974 1 5 . 1 1 53 53 ALA N N 53 122.484 122.484 121.551 0.933 19579 2975 1 5 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.464 -0.062 19579 2976 1 5 . 1 1 53 53 ALA C C 53 177.391 177.391 178.061 -0.670 19579 2977 1 5 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.210 -0.083 19579 2978 1 5 . 1 1 53 53 ALA CB C 53 19.946 19.946 19.127 0.819 19579 2979 1 5 . 1 1 53 53 ALA H H 53 7.602 7.602 7.915 -0.313 19579 2980 1 5 . 1 1 54 54 LEU N N 54 117.414 117.414 120.649 -3.235 19579 2981 1 5 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.069 -0.190 19579 2982 1 5 . 1 1 54 54 LEU C C 54 174.434 174.434 175.983 -1.549 19579 2983 1 5 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.515 -0.200 19579 2984 1 5 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.534 0.086 19579 2985 1 5 . 1 1 54 54 LEU H H 54 7.408 7.408 7.557 -0.149 19579 2986 1 5 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.384 -0.193 19579 2987 1 5 . 1 1 55 55 PRO CA C 55 66.934 66.934 64.977 1.957 19579 2988 1 5 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.043 0.007 19579 2989 1 5 . 1 1 56 56 SER N N 56 113.559 113.559 112.657 0.902 19579 2990 1 5 . 1 1 56 56 SER HA H 56 4.234 4.234 4.481 -0.247 19579 2991 1 5 . 1 1 56 56 SER C C 56 176.552 176.552 174.979 1.573 19579 2992 1 5 . 1 1 56 56 SER CA C 56 61.233 61.233 60.393 0.840 19579 2993 1 5 . 1 1 56 56 SER CB C 56 62.733 62.733 63.534 -0.801 19579 2994 1 5 . 1 1 56 56 SER H H 56 7.834 7.834 7.441 0.393 19579 2995 1 5 . 1 1 57 57 VAL N N 57 123.292 123.292 122.185 1.107 19579 2996 1 5 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.297 -0.554 19579 2997 1 5 . 1 1 57 57 VAL C C 57 178.042 178.042 177.770 0.272 19579 2998 1 5 . 1 1 57 57 VAL CA C 57 66.460 66.460 64.544 1.916 19579 2999 1 5 . 1 1 57 57 VAL CB C 57 31.768 31.768 32.433 -0.665 19579 3000 1 5 . 1 1 57 57 VAL H H 57 8.263 8.263 7.775 0.488 19579 3001 1 5 . 1 1 58 58 ILE N N 58 118.510 118.510 120.166 -1.656 19579 3002 1 5 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.720 -0.036 19579 3003 1 5 . 1 1 58 58 ILE C C 58 176.221 176.221 178.201 -1.980 19579 3004 1 5 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.100 -1.018 19579 3005 1 5 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.763 -0.414 19579 3006 1 5 . 1 1 58 58 ILE H H 58 8.873 8.873 8.378 0.495 19579 3007 1 5 . 1 1 59 59 SER N N 59 114.238 114.238 112.832 1.406 19579 3008 1 5 . 1 1 59 59 SER HA H 59 4.305 4.305 4.632 -0.327 19579 3009 1 5 . 1 1 59 59 SER C C 59 177.534 177.534 176.327 1.207 19579 3010 1 5 . 1 1 59 59 SER CA C 59 61.586 61.586 60.380 1.206 19579 3011 1 5 . 1 1 59 59 SER CB C 59 62.951 62.951 63.211 -0.260 19579 3012 1 5 . 1 1 59 59 SER H H 59 7.388 7.388 8.652 -1.264 19579 3013 1 5 . 1 1 60 60 ASN N N 60 120.810 120.810 120.885 -0.075 19579 3014 1 5 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.659 -0.299 19579 3015 1 5 . 1 1 60 60 ASN C C 60 178.616 178.616 177.587 1.029 19579 3016 1 5 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.717 0.998 19579 3017 1 5 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.666 0.330 19579 3018 1 5 . 1 1 60 60 ASN H H 60 8.147 8.147 7.823 0.324 19579 3019 1 5 . 1 1 61 61 ILE N N 61 121.116 121.116 121.089 0.027 19579 3020 1 5 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.665 -0.144 19579 3021 1 5 . 1 1 61 61 ILE C C 61 176.972 176.972 177.554 -0.582 19579 3022 1 5 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.400 1.162 19579 3023 1 5 . 1 1 61 61 ILE CB C 61 39.006 39.006 37.917 1.089 19579 3024 1 5 . 1 1 61 61 ILE H H 61 8.642 8.642 7.867 0.775 19579 3025 1 5 . 1 1 62 62 TYR N N 62 119.953 119.953 120.127 -0.174 19579 3026 1 5 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.983 -0.360 19579 3027 1 5 . 1 1 62 62 TYR C C 62 176.828 176.828 177.554 -0.726 19579 3028 1 5 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.605 1.478 19579 3029 1 5 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.390 0.585 19579 3030 1 5 . 1 1 62 62 TYR H H 62 9.192 9.192 8.095 1.097 19579 3031 1 5 . 1 1 63 63 SER N N 63 111.464 111.464 114.364 -2.900 19579 3032 1 5 . 1 1 63 63 SER HA H 63 4.035 4.035 4.242 -0.207 19579 3033 1 5 . 1 1 63 63 SER C C 63 177.325 177.325 177.152 0.173 19579 3034 1 5 . 1 1 63 63 SER CA C 63 62.027 62.027 61.697 0.330 19579 3035 1 5 . 1 1 63 63 SER CB C 63 62.565 62.565 62.331 0.234 19579 3036 1 5 . 1 1 63 63 SER H H 63 8.320 8.320 7.969 0.351 19579 3037 1 5 . 1 1 64 64 GLY N N 64 110.383 110.383 109.402 0.981 19579 3038 1 5 . 1 1 64 64 GLY C C 64 175.581 175.581 176.139 -0.558 19579 3039 1 5 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.817 0.497 19579 3040 1 5 . 1 1 64 64 GLY H H 64 7.724 7.724 7.387 0.337 19579 3041 1 5 . 1 1 65 65 VAL N N 65 124.665 124.665 121.730 2.935 19579 3042 1 5 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.755 -0.511 19579 3043 1 5 . 1 1 65 65 VAL C C 65 180.072 180.072 177.762 2.310 19579 3044 1 5 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.215 1.789 19579 3045 1 5 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.306 0.402 19579 3046 1 5 . 1 1 65 65 VAL H H 65 8.584 8.584 7.547 1.037 19579 3047 1 5 . 1 1 66 66 VAL N N 66 120.803 120.803 119.211 1.592 19579 3048 1 5 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.606 0.117 19579 3049 1 5 . 1 1 66 66 VAL C C 66 179.829 179.829 178.657 1.172 19579 3050 1 5 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.407 0.808 19579 3051 1 5 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.481 1.274 19579 3052 1 5 . 1 1 66 66 VAL H H 66 8.305 8.305 7.840 0.465 19579 3053 1 5 . 1 1 67 67 ALA N N 67 123.266 123.266 122.124 1.142 19579 3054 1 5 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.181 -0.017 19579 3055 1 5 . 1 1 67 67 ALA C C 67 178.560 178.560 178.821 -0.261 19579 3056 1 5 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.365 0.059 19579 3057 1 5 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.155 -0.144 19579 3058 1 5 . 1 1 67 67 ALA H H 67 7.979 7.979 7.900 0.079 19579 3059 1 5 . 1 1 68 68 SER N N 68 112.669 112.669 113.706 -1.037 19579 3060 1 5 . 1 1 68 68 SER HA H 68 4.436 4.436 4.273 0.163 19579 3061 1 5 . 1 1 68 68 SER C C 68 174.555 174.555 175.250 -0.695 19579 3062 1 5 . 1 1 68 68 SER CA C 68 59.634 59.634 59.224 0.410 19579 3063 1 5 . 1 1 68 68 SER CB C 68 63.943 63.943 63.714 0.229 19579 3064 1 5 . 1 1 68 68 SER H H 68 7.674 7.674 7.350 0.324 19579 3065 1 5 . 1 1 69 69 GLY N N 69 109.146 109.146 108.782 0.364 19579 3066 1 5 . 1 1 69 69 GLY C C 69 173.904 173.904 174.634 -0.730 19579 3067 1 5 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.750 0.481 19579 3068 1 5 . 1 1 69 69 GLY H H 69 7.939 7.939 7.521 0.418 19579 3069 1 5 . 1 1 70 70 VAL N N 70 119.926 119.926 119.242 0.684 19579 3070 1 5 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.349 -0.439 19579 3071 1 5 . 1 1 70 70 VAL C C 70 174.997 174.997 175.731 -0.734 19579 3072 1 5 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.098 1.186 19579 3073 1 5 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.554 -1.130 19579 3074 1 5 . 1 1 70 70 VAL H H 70 6.723 6.723 7.408 -0.685 19579 3075 1 5 . 1 1 71 71 SER N N 71 120.581 120.581 117.754 2.827 19579 3076 1 5 . 1 1 71 71 SER HA H 71 4.386 4.386 4.483 -0.097 19579 3077 1 5 . 1 1 71 71 SER C C 71 175.559 175.559 175.356 0.203 19579 3078 1 5 . 1 1 71 71 SER CA C 71 58.441 58.441 57.252 1.188 19579 3079 1 5 . 1 1 71 71 SER CB C 71 64.632 64.632 64.514 0.118 19579 3080 1 5 . 1 1 71 71 SER H H 71 8.577 8.577 8.350 0.227 19579 3081 1 5 . 1 1 72 72 SER N N 72 117.898 117.898 118.096 -0.198 19579 3082 1 5 . 1 1 72 72 SER HA H 72 4.083 4.083 4.111 -0.028 19579 3083 1 5 . 1 1 72 72 SER C C 72 176.255 176.255 176.246 0.009 19579 3084 1 5 . 1 1 72 72 SER CA C 72 61.586 61.586 61.818 -0.232 19579 3085 1 5 . 1 1 72 72 SER CB C 72 62.622 62.622 63.172 -0.550 19579 3086 1 5 . 1 1 72 72 SER H H 72 8.889 8.889 8.725 0.164 19579 3087 1 5 . 1 1 73 73 ASN N N 73 118.976 118.976 118.851 0.125 19579 3088 1 5 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.379 0.278 19579 3089 1 5 . 1 1 73 73 ASN C C 73 176.506 176.506 177.530 -1.024 19579 3090 1 5 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.869 0.192 19579 3091 1 5 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.367 -0.367 19579 3092 1 5 . 1 1 73 73 ASN H H 73 8.519 8.519 8.324 0.195 19579 3093 1 5 . 1 1 74 74 GLU N N 74 118.543 118.543 119.021 -0.478 19579 3094 1 5 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.139 -0.029 19579 3095 1 5 . 1 1 74 74 GLU C C 74 176.994 176.994 177.907 -0.913 19579 3096 1 5 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.149 -0.123 19579 3097 1 5 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.409 1.954 19579 3098 1 5 . 1 1 74 74 GLU H H 74 7.768 7.768 7.683 0.085 19579 3099 1 5 . 1 1 75 75 ALA N N 75 121.901 121.901 124.462 -2.561 19579 3100 1 5 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.953 -0.263 19579 3101 1 5 . 1 1 75 75 ALA C C 75 178.318 178.318 179.159 -0.841 19579 3102 1 5 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.269 -0.041 19579 3103 1 5 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.350 0.291 19579 3104 1 5 . 1 1 75 75 ALA H H 75 8.069 8.069 8.245 -0.176 19579 3105 1 5 . 1 1 76 76 LEU N N 76 117.360 117.360 119.294 -1.934 19579 3106 1 5 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.193 -0.083 19579 3107 1 5 . 1 1 76 76 LEU C C 76 177.854 177.854 178.672 -0.818 19579 3108 1 5 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.695 0.319 19579 3109 1 5 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.066 -1.298 19579 3110 1 5 . 1 1 76 76 LEU H H 76 8.121 8.121 7.649 0.472 19579 3111 1 5 . 1 1 77 77 ILE N N 77 116.714 116.714 119.211 -2.497 19579 3112 1 5 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.639 -0.188 19579 3113 1 5 . 1 1 77 77 ILE C C 77 176.883 176.883 178.025 -1.142 19579 3114 1 5 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.916 -0.658 19579 3115 1 5 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.063 -0.321 19579 3116 1 5 . 1 1 77 77 ILE H H 77 7.607 7.607 7.356 0.251 19579 3117 1 5 . 1 1 78 78 GLN N N 78 119.338 119.338 119.732 -0.394 19579 3118 1 5 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.880 -0.248 19579 3119 1 5 . 1 1 78 78 GLN C C 78 177.521 177.521 178.211 -0.690 19579 3120 1 5 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.406 0.914 19579 3121 1 5 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.589 -0.414 19579 3122 1 5 . 1 1 78 78 GLN H H 78 8.119 8.119 8.467 -0.348 19579 3123 1 5 . 1 1 79 79 ALA N N 79 119.218 119.218 121.995 -2.777 19579 3124 1 5 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.030 -0.158 19579 3125 1 5 . 1 1 79 79 ALA C C 79 179.311 179.311 179.871 -0.560 19579 3126 1 5 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.018 -0.193 19579 3127 1 5 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.406 -0.587 19579 3128 1 5 . 1 1 79 79 ALA H H 79 8.639 8.639 7.545 1.094 19579 3129 1 5 . 1 1 80 80 LEU N N 80 116.262 116.262 118.267 -2.005 19579 3130 1 5 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.008 -0.108 19579 3131 1 5 . 1 1 80 80 LEU C C 80 178.914 178.914 179.045 -0.131 19579 3132 1 5 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.332 0.679 19579 3133 1 5 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.817 -0.202 19579 3134 1 5 . 1 1 80 80 LEU H H 80 8.450 8.450 7.540 0.910 19579 3135 1 5 . 1 1 81 81 LEU N N 81 118.995 118.995 120.002 -1.007 19579 3136 1 5 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.903 0.069 19579 3137 1 5 . 1 1 81 81 LEU C C 81 180.127 180.127 179.543 0.584 19579 3138 1 5 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.276 -0.293 19579 3139 1 5 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.179 1.363 19579 3140 1 5 . 1 1 81 81 LEU H H 81 8.151 8.151 8.318 -0.167 19579 3141 1 5 . 1 1 82 82 GLU N N 82 124.890 124.890 119.596 5.294 19579 3142 1 5 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.155 -0.522 19579 3143 1 5 . 1 1 82 82 GLU C C 82 178.505 178.505 179.300 -0.795 19579 3144 1 5 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.890 2.410 19579 3145 1 5 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.513 0.266 19579 3146 1 5 . 1 1 82 82 GLU H H 82 8.659 8.659 8.202 0.457 19579 3147 1 5 . 1 1 83 83 LEU N N 83 121.487 121.487 121.222 0.265 19579 3148 1 5 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.185 -0.365 19579 3149 1 5 . 1 1 83 83 LEU C C 83 178.163 178.163 178.709 -0.546 19579 3150 1 5 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.708 0.447 19579 3151 1 5 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.566 0.068 19579 3152 1 5 . 1 1 83 83 LEU H H 83 8.658 8.658 7.427 1.231 19579 3153 1 5 . 1 1 84 84 LEU N N 84 118.904 118.904 118.580 0.324 19579 3154 1 5 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.208 -0.422 19579 3155 1 5 . 1 1 84 84 LEU C C 84 178.064 178.064 178.374 -0.310 19579 3156 1 5 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.061 1.602 19579 3157 1 5 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.856 1.349 19579 3158 1 5 . 1 1 84 84 LEU H H 84 8.803 8.803 8.335 0.468 19579 3159 1 5 . 1 1 85 85 SER N N 85 114.347 114.347 114.563 -0.216 19579 3160 1 5 . 1 1 85 85 SER HA H 85 4.211 4.211 4.503 -0.292 19579 3161 1 5 . 1 1 85 85 SER C C 85 174.633 174.633 175.959 -1.326 19579 3162 1 5 . 1 1 85 85 SER CA C 85 62.957 62.957 59.808 3.149 19579 3163 1 5 . 1 1 85 85 SER CB C 85 62.947 62.947 64.456 -1.509 19579 3164 1 5 . 1 1 85 85 SER H H 85 7.879 7.879 7.738 0.141 19579 3165 1 5 . 1 1 86 86 ALA N N 86 124.206 124.206 126.530 -2.324 19579 3166 1 5 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.079 -0.309 19579 3167 1 5 . 1 1 86 86 ALA C C 86 178.538 178.538 179.379 -0.841 19579 3168 1 5 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.429 -0.063 19579 3169 1 5 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.545 -1.201 19579 3170 1 5 . 1 1 86 86 ALA H H 86 8.199 8.199 7.729 0.470 19579 3171 1 5 . 1 1 87 87 LEU N N 87 116.463 116.463 116.066 0.397 19579 3172 1 5 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.132 -0.311 19579 3173 1 5 . 1 1 87 87 LEU C C 87 178.709 178.709 178.575 0.134 19579 3174 1 5 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.726 0.628 19579 3175 1 5 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.278 2.316 19579 3176 1 5 . 1 1 87 87 LEU H H 87 8.140 8.140 7.452 0.688 19579 3177 1 5 . 1 1 88 88 VAL N N 88 118.854 118.854 120.916 -2.062 19579 3178 1 5 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.575 -0.172 19579 3179 1 5 . 1 1 88 88 VAL C C 88 177.766 177.766 178.003 -0.237 19579 3180 1 5 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.860 -0.195 19579 3181 1 5 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.425 0.022 19579 3182 1 5 . 1 1 88 88 VAL H H 88 8.716 8.716 7.472 1.244 19579 3183 1 5 . 1 1 89 89 HIS N N 89 121.227 121.227 119.705 1.522 19579 3184 1 5 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.253 -0.214 19579 3185 1 5 . 1 1 89 89 HIS C C 89 178.880 178.880 177.063 1.817 19579 3186 1 5 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.197 1.125 19579 3187 1 5 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.269 1.479 19579 3188 1 5 . 1 1 89 89 HIS H H 89 8.664 8.664 7.863 0.801 19579 3189 1 5 . 1 1 90 90 VAL N N 90 118.094 118.094 117.812 0.282 19579 3190 1 5 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.907 -0.340 19579 3191 1 5 . 1 1 90 90 VAL C C 90 177.733 177.733 177.602 0.131 19579 3192 1 5 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.514 1.316 19579 3193 1 5 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.389 0.211 19579 3194 1 5 . 1 1 90 90 VAL H H 90 7.994 7.994 7.565 0.429 19579 3195 1 5 . 1 1 91 91 LEU N N 91 119.672 119.672 120.912 -1.240 19579 3196 1 5 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.027 -0.195 19579 3197 1 5 . 1 1 91 91 LEU C C 91 178.869 178.869 179.076 -0.207 19579 3198 1 5 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.805 -0.047 19579 3199 1 5 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.099 1.840 19579 3200 1 5 . 1 1 91 91 LEU H H 91 8.393 8.393 8.481 -0.088 19579 3201 1 5 . 1 1 92 92 SER N N 92 113.554 113.554 114.745 -1.191 19579 3202 1 5 . 1 1 92 92 SER HA H 92 4.297 4.297 4.228 0.069 19579 3203 1 5 . 1 1 92 92 SER C C 92 174.500 174.500 175.723 -1.223 19579 3204 1 5 . 1 1 92 92 SER CA C 92 61.410 61.410 60.957 0.453 19579 3205 1 5 . 1 1 92 92 SER CB C 92 63.254 63.254 62.983 0.271 19579 3206 1 5 . 1 1 92 92 SER H H 92 7.900 7.900 7.816 0.084 19579 3207 1 5 . 1 1 93 93 SER N N 93 115.055 115.055 114.789 0.266 19579 3208 1 5 . 1 1 93 93 SER HA H 93 4.704 4.704 4.564 0.140 19579 3209 1 5 . 1 1 93 93 SER C C 93 173.044 173.044 173.998 -0.954 19579 3210 1 5 . 1 1 93 93 SER CA C 93 57.967 57.967 58.543 -0.576 19579 3211 1 5 . 1 1 93 93 SER CB C 93 64.574 64.574 64.279 0.295 19579 3212 1 5 . 1 1 93 93 SER H H 93 7.420 7.420 7.514 -0.094 19579 3213 1 5 . 1 1 94 94 ALA N N 94 124.504 124.504 124.077 0.427 19579 3214 1 5 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.287 0.342 19579 3215 1 5 . 1 1 94 94 ALA C C 94 176.199 176.199 177.610 -1.411 19579 3216 1 5 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.158 -1.689 19579 3217 1 5 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.105 2.515 19579 3218 1 5 . 1 1 94 94 ALA H H 94 7.476 7.476 7.099 0.377 19579 3219 1 5 . 1 1 95 95 SER N N 95 115.739 115.739 113.696 2.043 19579 3220 1 5 . 1 1 95 95 SER HA H 95 4.758 4.758 4.079 0.679 19579 3221 1 5 . 1 1 95 95 SER C C 95 174.136 174.136 174.702 -0.566 19579 3222 1 5 . 1 1 95 95 SER CA C 95 57.343 57.343 58.802 -1.459 19579 3223 1 5 . 1 1 95 95 SER CB C 95 63.303 63.303 60.265 3.038 19579 3224 1 5 . 1 1 95 95 SER H H 95 8.483 8.483 7.758 0.725 19579 3225 1 5 . 1 1 96 96 ILE N N 96 128.288 128.288 121.930 6.358 19579 3226 1 5 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.008 -0.015 19579 3227 1 5 . 1 1 96 96 ILE C C 96 175.868 175.868 177.082 -1.214 19579 3228 1 5 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.158 -0.796 19579 3229 1 5 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.900 -0.287 19579 3230 1 5 . 1 1 96 96 ILE H H 96 8.869 8.869 8.336 0.533 19579 3231 1 5 . 1 1 97 97 GLY N N 97 115.495 115.495 115.864 -0.369 19579 3232 1 5 . 1 1 97 97 GLY C C 97 173.022 173.022 173.668 -0.646 19579 3233 1 5 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.978 -0.108 19579 3234 1 5 . 1 1 97 97 GLY H H 97 8.272 8.272 8.525 -0.253 19579 3235 1 5 . 1 1 98 98 ASN N N 98 120.819 120.819 119.965 0.854 19579 3236 1 5 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.873 -0.225 19579 3237 1 5 . 1 1 98 98 ASN C C 98 174.809 174.809 174.300 0.509 19579 3238 1 5 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.635 0.791 19579 3239 1 5 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.544 -0.879 19579 3240 1 5 . 1 1 98 98 ASN H H 98 8.420 8.420 8.357 0.063 19579 3241 1 5 . 1 1 99 99 VAL N N 99 122.960 122.960 124.665 -1.705 19579 3242 1 5 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.185 -0.011 19579 3243 1 5 . 1 1 99 99 VAL C C 99 174.500 174.500 175.842 -1.342 19579 3244 1 5 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.090 -0.722 19579 3245 1 5 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.759 0.647 19579 3246 1 5 . 1 1 99 99 VAL H H 99 8.292 8.292 8.380 -0.088 19579 3247 1 5 . 1 1 100 100 SER N N 100 120.723 120.723 119.699 1.024 19579 3248 1 5 . 1 1 100 100 SER HA H 100 4.756 4.756 4.638 0.118 19579 3249 1 5 . 1 1 100 100 SER C C 100 174.235 174.235 174.941 -0.706 19579 3250 1 5 . 1 1 100 100 SER CA C 100 56.687 56.687 57.228 -0.541 19579 3251 1 5 . 1 1 100 100 SER CB C 100 64.904 64.904 63.788 1.115 19579 3252 1 5 . 1 1 100 100 SER H H 100 8.644 8.644 8.546 0.098 19579 3253 1 5 . 1 1 101 101 SER N N 101 117.236 117.236 124.190 -6.954 19579 3254 1 5 . 1 1 101 101 SER HA H 101 4.130 4.130 4.563 -0.433 19579 3255 1 5 . 1 1 101 101 SER CA C 101 59.000 59.000 58.082 0.918 19579 3256 1 5 . 1 1 101 101 SER CB C 101 63.104 63.104 62.350 0.754 19579 3257 1 5 . 1 1 102 102 VAL N N 102 124.874 124.874 120.545 4.329 19579 3258 1 5 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.259 -0.438 19579 3259 1 5 . 1 1 102 102 VAL C C 102 177.545 177.545 175.866 1.679 19579 3260 1 5 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.136 2.446 19579 3261 1 5 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.046 -1.566 19579 3262 1 5 . 1 1 102 102 VAL H H 102 8.090 8.090 7.891 0.199 19579 3263 1 5 . 1 1 103 103 GLY N N 103 114.589 114.589 113.568 1.021 19579 3264 1 5 . 1 1 103 103 GLY C C 103 176.387 176.387 175.315 1.072 19579 3265 1 5 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.507 0.179 19579 3266 1 5 . 1 1 103 103 GLY H H 103 9.051 9.051 8.564 0.487 19579 3267 1 5 . 1 1 104 104 VAL N N 104 121.976 121.976 120.111 1.865 19579 3268 1 5 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.566 -0.218 19579 3269 1 5 . 1 1 104 104 VAL C C 104 176.045 176.045 176.986 -0.941 19579 3270 1 5 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.498 1.391 19579 3271 1 5 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.763 -0.498 19579 3272 1 5 . 1 1 104 104 VAL H H 104 7.753 7.753 7.972 -0.219 19579 3273 1 5 . 1 1 105 105 ASP N N 105 117.868 117.868 119.191 -1.323 19579 3274 1 5 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.292 -0.141 19579 3275 1 5 . 1 1 105 105 ASP C C 105 178.406 178.406 178.122 0.284 19579 3276 1 5 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.566 -0.856 19579 3277 1 5 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.688 -2.036 19579 3278 1 5 . 1 1 105 105 ASP H H 105 8.719 8.719 8.803 -0.084 19579 3279 1 5 . 1 1 106 106 SER N N 106 117.500 117.500 113.317 4.183 19579 3280 1 5 . 1 1 106 106 SER HA H 106 4.306 4.306 4.276 0.030 19579 3281 1 5 . 1 1 106 106 SER C C 106 176.784 176.784 176.462 0.322 19579 3282 1 5 . 1 1 106 106 SER CA C 106 61.523 61.523 61.666 -0.143 19579 3283 1 5 . 1 1 106 106 SER CB C 106 62.480 62.480 62.811 -0.331 19579 3284 1 5 . 1 1 106 106 SER H H 106 7.685 7.685 7.912 -0.227 19579 3285 1 5 . 1 1 107 107 THR N N 107 121.741 121.741 119.635 2.106 19579 3286 1 5 . 1 1 107 107 THR HA H 107 4.373 4.373 4.111 0.262 19579 3287 1 5 . 1 1 107 107 THR C C 107 176.227 176.227 176.300 -0.073 19579 3288 1 5 . 1 1 107 107 THR CA C 107 66.648 66.648 65.750 0.898 19579 3289 1 5 . 1 1 107 107 THR CB C 107 66.884 66.884 68.739 -1.855 19579 3290 1 5 . 1 1 107 107 THR H H 107 8.024 8.024 7.308 0.716 19579 3291 1 5 . 1 1 108 108 LEU N N 108 122.175 122.175 121.754 0.421 19579 3292 1 5 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.917 -0.001 19579 3293 1 5 . 1 1 108 108 LEU C C 108 178.560 178.560 178.578 -0.018 19579 3294 1 5 . 1 1 108 108 LEU CA C 108 59.169 59.169 58.044 1.125 19579 3295 1 5 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.536 -0.507 19579 3296 1 5 . 1 1 108 108 LEU H H 108 8.475 8.475 8.429 0.046 19579 3297 1 5 . 1 1 109 109 ASN N N 109 116.499 116.499 117.108 -0.609 19579 3298 1 5 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.662 -0.176 19579 3299 1 5 . 1 1 109 109 ASN C C 109 177.181 177.181 177.438 -0.257 19579 3300 1 5 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.762 0.737 19579 3301 1 5 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.694 0.291 19579 3302 1 5 . 1 1 109 109 ASN H H 109 7.567 7.567 7.784 -0.217 19579 3303 1 5 . 1 1 110 110 VAL N N 110 121.382 121.382 120.172 1.210 19579 3304 1 5 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.813 0.064 19579 3305 1 5 . 1 1 110 110 VAL C C 110 180.116 180.116 177.853 2.263 19579 3306 1 5 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.857 0.379 19579 3307 1 5 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.303 0.257 19579 3308 1 5 . 1 1 110 110 VAL H H 110 7.978 7.978 7.598 0.380 19579 3309 1 5 . 1 1 111 111 VAL N N 111 123.748 123.748 119.839 3.909 19579 3310 1 5 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.861 -0.503 19579 3311 1 5 . 1 1 111 111 VAL C C 111 177.424 177.424 178.686 -1.262 19579 3312 1 5 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.845 3.337 19579 3313 1 5 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.340 -0.234 19579 3314 1 5 . 1 1 111 111 VAL H H 111 8.228 8.228 7.390 0.838 19579 3315 1 5 . 1 1 112 112 GLN N N 112 120.331 120.331 118.861 1.470 19579 3316 1 5 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.968 -0.370 19579 3317 1 5 . 1 1 112 112 GLN C C 112 178.329 178.329 177.871 0.458 19579 3318 1 5 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.251 1.058 19579 3319 1 5 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.204 1.937 19579 3320 1 5 . 1 1 112 112 GLN H H 112 8.719 8.719 7.778 0.941 19579 3321 1 5 . 1 1 113 113 ASP N N 113 117.931 117.931 118.334 -0.403 19579 3322 1 5 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.411 -0.061 19579 3323 1 5 . 1 1 113 113 ASP C C 113 178.406 178.406 177.131 1.275 19579 3324 1 5 . 1 1 113 113 ASP CA C 113 57.029 57.029 57.461 -0.431 19579 3325 1 5 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.919 0.375 19579 3326 1 5 . 1 1 113 113 ASP H H 113 8.410 8.410 7.923 0.487 19579 3327 1 5 . 1 1 114 114 SER N N 114 113.798 113.798 114.247 -0.449 19579 3328 1 5 . 1 1 114 114 SER HA H 114 4.310 4.310 4.339 -0.029 19579 3329 1 5 . 1 1 114 114 SER C C 114 175.416 175.416 175.980 -0.564 19579 3330 1 5 . 1 1 114 114 SER CA C 114 61.981 61.981 60.296 1.685 19579 3331 1 5 . 1 1 114 114 SER CB C 114 63.618 63.618 63.185 0.432 19579 3332 1 5 . 1 1 114 114 SER H H 114 7.973 7.973 7.424 0.549 19579 3333 1 5 . 1 1 115 115 VAL N N 115 115.306 115.306 120.902 -5.596 19579 3334 1 5 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.419 -0.212 19579 3335 1 5 . 1 1 115 115 VAL C C 115 177.325 177.325 177.221 0.104 19579 3336 1 5 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.126 1.138 19579 3337 1 5 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.610 -0.243 19579 3338 1 5 . 1 1 115 115 VAL H H 115 8.090 8.090 7.724 0.366 19579 3339 1 5 . 1 1 116 116 GLY N N 116 107.952 107.952 109.327 -1.375 19579 3340 1 5 . 1 1 116 116 GLY C C 116 175.129 175.129 174.818 0.311 19579 3341 1 5 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.634 0.196 19579 3342 1 5 . 1 1 116 116 GLY H H 116 7.991 7.991 7.967 0.024 19579 3343 1 5 . 1 1 117 117 GLN N N 117 116.191 116.191 117.558 -1.367 19579 3344 1 5 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.016 0.037 19579 3345 1 5 . 1 1 117 117 GLN C C 117 176.056 176.056 175.984 0.072 19579 3346 1 5 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.150 -0.094 19579 3347 1 5 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.662 0.830 19579 3348 1 5 . 1 1 117 117 GLN H H 117 7.721 7.721 8.046 -0.325 19579 3349 1 5 . 1 1 118 118 TYR N N 118 116.504 116.504 118.839 -2.335 19579 3350 1 5 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.431 -0.205 19579 3351 1 5 . 1 1 118 118 TYR C C 118 174.919 174.919 177.411 -2.492 19579 3352 1 5 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.232 -0.581 19579 3353 1 5 . 1 1 118 118 TYR CB C 118 38.991 38.991 40.106 -1.115 19579 3354 1 5 . 1 1 118 118 TYR H H 118 7.685 7.685 7.900 -0.215 19579 3355 1 5 . 1 1 119 119 VAL N N 119 115.145 115.145 117.543 -2.398 19579 3356 1 5 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.971 0.223 19579 3357 1 5 . 1 1 119 119 VAL C C 119 174.666 174.666 177.199 -2.533 19579 3358 1 5 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.061 -2.099 19579 3359 1 5 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.943 0.674 19579 3360 1 5 . 1 1 119 119 VAL H H 119 7.132 7.132 7.922 -0.790 19579 3361 1 6 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.244 -0.368 19579 3362 1 6 . 1 1 -2 -2 ASN N N -2 118.808 118.808 120.821 -2.013 19579 3363 1 6 . 1 1 -2 -2 ASN C C -2 175.184 175.184 175.549 -0.365 19579 3364 1 6 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.288 0.111 19579 3365 1 6 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.313 -0.006 19579 3366 1 6 . 1 1 2 2 THR N N 2 116.876 116.876 121.067 -4.191 19579 3367 1 6 . 1 1 2 2 THR HA H 2 4.348 4.348 4.317 0.031 19579 3368 1 6 . 1 1 2 2 THR C C 2 174.600 174.600 174.621 -0.021 19579 3369 1 6 . 1 1 2 2 THR CA C 2 61.785 61.785 64.493 -2.708 19579 3370 1 6 . 1 1 2 2 THR CB C 2 69.800 69.800 68.737 1.063 19579 3371 1 6 . 1 1 2 2 THR H H 2 8.176 8.176 8.174 0.002 19579 3372 1 6 . 1 1 3 3 SER N N 3 117.968 117.968 121.200 -3.232 19579 3373 1 6 . 1 1 3 3 SER C C 3 174.732 174.732 173.918 0.814 19579 3374 1 6 . 1 1 3 3 SER CA C 3 58.585 58.585 57.420 1.165 19579 3375 1 6 . 1 1 3 3 SER H H 3 8.248 8.248 8.352 -0.104 19579 3376 1 6 . 1 1 5 5 GLY N N 5 108.381 108.381 107.272 1.109 19579 3377 1 6 . 1 1 5 5 GLY C C 5 173.728 173.728 174.155 -0.427 19579 3378 1 6 . 1 1 5 5 GLY CA C 5 45.215 45.215 46.057 -0.842 19579 3379 1 6 . 1 1 5 5 GLY H H 5 8.134 8.134 9.427 -1.293 19579 3380 1 6 . 1 1 6 6 TYR N N 6 120.011 120.011 121.571 -1.560 19579 3381 1 6 . 1 1 6 6 TYR HA H 6 4.464 4.464 5.050 -0.586 19579 3382 1 6 . 1 1 6 6 TYR C C 6 176.232 176.232 175.801 0.431 19579 3383 1 6 . 1 1 6 6 TYR CA C 6 58.175 58.175 56.556 1.619 19579 3384 1 6 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.538 -0.774 19579 3385 1 6 . 1 1 6 6 TYR H H 6 8.096 8.096 7.960 0.136 19579 3386 1 6 . 1 1 7 7 GLY N N 7 110.530 110.530 110.343 0.187 19579 3387 1 6 . 1 1 7 7 GLY C C 7 173.772 173.772 173.248 0.524 19579 3388 1 6 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.735 0.487 19579 3389 1 6 . 1 1 7 7 GLY H H 7 8.283 8.283 8.519 -0.236 19579 3390 1 6 . 1 1 8 8 TYR N N 8 120.132 120.132 121.375 -1.243 19579 3391 1 6 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.676 -0.193 19579 3392 1 6 . 1 1 8 8 TYR C C 8 176.420 176.420 176.627 -0.207 19579 3393 1 6 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.620 0.714 19579 3394 1 6 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.517 -0.772 19579 3395 1 6 . 1 1 8 8 TYR H H 8 7.987 7.987 8.598 -0.611 19579 3396 1 6 . 1 1 9 9 GLY N N 9 110.831 110.831 109.856 0.975 19579 3397 1 6 . 1 1 9 9 GLY C C 9 174.335 174.335 174.590 -0.255 19579 3398 1 6 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.972 0.477 19579 3399 1 6 . 1 1 9 9 GLY H H 9 8.400 8.400 8.368 0.032 19579 3400 1 6 . 1 1 10 10 THR N N 10 113.216 113.216 112.035 1.181 19579 3401 1 6 . 1 1 10 10 THR HA H 10 4.366 4.366 4.345 0.021 19579 3402 1 6 . 1 1 10 10 THR C C 10 174.721 174.721 173.904 0.817 19579 3403 1 6 . 1 1 10 10 THR CA C 10 61.829 61.829 62.515 -0.686 19579 3404 1 6 . 1 1 10 10 THR CB C 10 69.881 69.881 69.201 0.680 19579 3405 1 6 . 1 1 10 10 THR H H 10 8.012 8.012 7.912 0.100 19579 3406 1 6 . 1 1 11 11 SER N N 11 117.904 117.904 120.371 -2.467 19579 3407 1 6 . 1 1 11 11 SER HA H 11 4.414 4.414 4.680 -0.266 19579 3408 1 6 . 1 1 11 11 SER C C 11 174.335 174.335 172.770 1.565 19579 3409 1 6 . 1 1 11 11 SER CA C 11 58.363 58.363 57.845 0.518 19579 3410 1 6 . 1 1 11 11 SER CB C 11 63.911 63.911 64.065 -0.154 19579 3411 1 6 . 1 1 11 11 SER H H 11 8.342 8.342 8.624 -0.282 19579 3412 1 6 . 1 1 12 12 ALA N N 12 126.003 126.003 123.468 2.535 19579 3413 1 6 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.767 -0.529 19579 3414 1 6 . 1 1 12 12 ALA C C 12 177.468 177.468 176.332 1.136 19579 3415 1 6 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.241 0.531 19579 3416 1 6 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.352 -0.264 19579 3417 1 6 . 1 1 12 12 ALA H H 12 8.274 8.274 8.509 -0.235 19579 3418 1 6 . 1 1 13 13 ALA N N 13 122.954 122.954 124.818 -1.864 19579 3419 1 6 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.467 -0.242 19579 3420 1 6 . 1 1 13 13 ALA C C 13 178.207 178.207 175.966 2.241 19579 3421 1 6 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.624 0.955 19579 3422 1 6 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.828 -1.537 19579 3423 1 6 . 1 1 13 13 ALA H H 13 8.121 8.121 8.091 0.030 19579 3424 1 6 . 1 1 14 14 ALA N N 14 123.733 123.733 121.388 2.345 19579 3425 1 6 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.457 -0.200 19579 3426 1 6 . 1 1 14 14 ALA C C 14 178.227 178.227 178.177 0.050 19579 3427 1 6 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.474 1.275 19579 3428 1 6 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.841 -0.565 19579 3429 1 6 . 1 1 14 14 ALA H H 14 8.262 8.262 8.279 -0.017 19579 3430 1 6 . 1 1 15 15 GLY N N 15 108.014 108.014 107.015 0.999 19579 3431 1 6 . 1 1 15 15 GLY C C 15 173.849 173.849 173.514 0.335 19579 3432 1 6 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.295 0.016 19579 3433 1 6 . 1 1 15 15 GLY H H 15 8.239 8.239 8.414 -0.175 19579 3434 1 6 . 1 1 16 16 ALA N N 16 123.529 123.529 125.427 -1.898 19579 3435 1 6 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.760 -0.462 19579 3436 1 6 . 1 1 16 16 ALA C C 16 178.108 178.108 176.654 1.454 19579 3437 1 6 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.031 1.680 19579 3438 1 6 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.548 -2.232 19579 3439 1 6 . 1 1 16 16 ALA H H 16 8.102 8.102 7.895 0.207 19579 3440 1 6 . 1 1 17 17 GLY N N 17 108.099 108.099 106.734 1.365 19579 3441 1 6 . 1 1 17 17 GLY C C 17 174.081 174.081 174.299 -0.218 19579 3442 1 6 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.282 -0.047 19579 3443 1 6 . 1 1 17 17 GLY H H 17 8.356 8.356 8.418 -0.062 19579 3444 1 6 . 1 1 18 18 VAL N N 18 119.220 119.220 122.111 -2.891 19579 3445 1 6 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.189 -0.122 19579 3446 1 6 . 1 1 18 18 VAL C C 18 175.946 175.946 175.431 0.515 19579 3447 1 6 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.116 1.167 19579 3448 1 6 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.267 -0.502 19579 3449 1 6 . 1 1 18 18 VAL H H 18 7.899 7.899 7.524 0.375 19579 3450 1 6 . 1 1 19 19 ALA N N 19 127.804 127.804 121.392 6.412 19579 3451 1 6 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.736 0.551 19579 3452 1 6 . 1 1 19 19 ALA C C 19 177.303 177.303 175.788 1.515 19579 3453 1 6 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.449 -0.989 19579 3454 1 6 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.334 1.965 19579 3455 1 6 . 1 1 19 19 ALA H H 19 8.377 8.377 8.186 0.191 19579 3456 1 6 . 1 1 20 20 ALA N N 20 123.602 123.602 120.124 3.478 19579 3457 1 6 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.703 -0.424 19579 3458 1 6 . 1 1 20 20 ALA C C 20 178.086 178.086 177.313 0.773 19579 3459 1 6 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.192 1.560 19579 3460 1 6 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.632 -1.317 19579 3461 1 6 . 1 1 20 20 ALA H H 20 8.261 8.261 7.887 0.374 19579 3462 1 6 . 1 1 21 21 GLY N N 21 108.033 108.033 114.097 -6.064 19579 3463 1 6 . 1 1 21 21 GLY C C 21 174.213 174.213 174.994 -0.781 19579 3464 1 6 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.403 -1.111 19579 3465 1 6 . 1 1 21 21 GLY H H 21 8.323 8.323 8.921 -0.598 19579 3466 1 6 . 1 1 22 22 SER N N 22 115.596 115.596 121.549 -5.953 19579 3467 1 6 . 1 1 22 22 SER HA H 22 4.369 4.369 4.640 -0.271 19579 3468 1 6 . 1 1 22 22 SER C C 22 175.328 175.328 172.986 2.342 19579 3469 1 6 . 1 1 22 22 SER CA C 22 58.686 58.686 57.255 1.431 19579 3470 1 6 . 1 1 22 22 SER CB C 22 63.915 63.915 63.105 0.810 19579 3471 1 6 . 1 1 22 22 SER H H 22 8.118 8.118 8.009 0.109 19579 3472 1 6 . 1 1 23 23 TYR N N 23 121.490 121.490 120.582 0.908 19579 3473 1 6 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.160 -0.391 19579 3474 1 6 . 1 1 23 23 TYR C C 23 175.890 175.890 174.859 1.031 19579 3475 1 6 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.151 1.573 19579 3476 1 6 . 1 1 23 23 TYR CB C 23 37.863 37.863 37.792 0.071 19579 3477 1 6 . 1 1 23 23 TYR H H 23 8.620 8.620 7.164 1.456 19579 3478 1 6 . 1 1 24 24 ALA N N 24 121.940 121.940 127.792 -5.852 19579 3479 1 6 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.715 -0.834 19579 3480 1 6 . 1 1 24 24 ALA C C 24 179.366 179.366 177.861 1.505 19579 3481 1 6 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.881 3.512 19579 3482 1 6 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.959 -2.419 19579 3483 1 6 . 1 1 24 24 ALA H H 24 8.127 8.127 8.687 -0.560 19579 3484 1 6 . 1 1 25 25 GLY N N 25 106.527 106.527 107.951 -1.424 19579 3485 1 6 . 1 1 25 25 GLY C C 25 175.074 175.074 175.289 -0.215 19579 3486 1 6 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.184 0.013 19579 3487 1 6 . 1 1 25 25 GLY H H 25 8.647 8.647 8.264 0.383 19579 3488 1 6 . 1 1 26 26 ALA N N 26 122.752 122.752 122.397 0.355 19579 3489 1 6 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.178 -0.151 19579 3490 1 6 . 1 1 26 26 ALA C C 26 177.490 177.490 178.877 -1.387 19579 3491 1 6 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.492 0.044 19579 3492 1 6 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.376 0.600 19579 3493 1 6 . 1 1 26 26 ALA H H 26 7.552 7.552 8.190 -0.638 19579 3494 1 6 . 1 1 27 27 VAL N N 27 113.110 113.110 114.372 -1.262 19579 3495 1 6 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.930 -0.469 19579 3496 1 6 . 1 1 27 27 VAL C C 27 179.366 179.366 177.844 1.522 19579 3497 1 6 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.692 0.871 19579 3498 1 6 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.569 0.527 19579 3499 1 6 . 1 1 27 27 VAL H H 27 7.283 7.283 7.305 -0.022 19579 3500 1 6 . 1 1 28 28 ASN N N 28 119.671 119.671 119.834 -0.163 19579 3501 1 6 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.474 -0.119 19579 3502 1 6 . 1 1 28 28 ASN C C 28 177.667 177.667 177.154 0.513 19579 3503 1 6 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.961 0.130 19579 3504 1 6 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.029 0.291 19579 3505 1 6 . 1 1 28 28 ASN H H 28 8.374 8.374 7.964 0.410 19579 3506 1 6 . 1 1 29 29 ARG N N 29 116.957 116.957 118.849 -1.892 19579 3507 1 6 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.183 -0.065 19579 3508 1 6 . 1 1 29 29 ARG C C 29 177.457 177.457 177.410 0.047 19579 3509 1 6 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.458 1.237 19579 3510 1 6 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.724 0.413 19579 3511 1 6 . 1 1 29 29 ARG H H 29 7.860 7.860 7.695 0.165 19579 3512 1 6 . 1 1 30 30 LEU N N 30 121.060 121.060 119.010 2.050 19579 3513 1 6 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.233 -0.279 19579 3514 1 6 . 1 1 30 30 LEU C C 30 174.975 174.975 177.804 -2.829 19579 3515 1 6 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.675 0.547 19579 3516 1 6 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.957 -0.999 19579 3517 1 6 . 1 1 30 30 LEU H H 30 7.524 7.524 7.747 -0.223 19579 3518 1 6 . 1 1 31 31 SER N N 31 106.764 106.764 113.776 -7.012 19579 3519 1 6 . 1 1 31 31 SER HA H 31 4.523 4.523 4.481 0.042 19579 3520 1 6 . 1 1 31 31 SER C C 31 174.666 174.666 173.916 0.750 19579 3521 1 6 . 1 1 31 31 SER CA C 31 57.680 57.680 58.101 -0.421 19579 3522 1 6 . 1 1 31 31 SER CB C 31 63.290 63.290 61.578 1.712 19579 3523 1 6 . 1 1 31 31 SER H H 31 7.046 7.046 7.851 -0.805 19579 3524 1 6 . 1 1 32 32 SER N N 32 117.235 117.235 116.116 1.119 19579 3525 1 6 . 1 1 32 32 SER HA H 32 4.383 4.383 4.633 -0.250 19579 3526 1 6 . 1 1 32 32 SER C C 32 174.677 174.677 174.213 0.464 19579 3527 1 6 . 1 1 32 32 SER CA C 32 58.027 58.027 57.197 0.830 19579 3528 1 6 . 1 1 32 32 SER CB C 32 66.069 66.069 64.565 1.504 19579 3529 1 6 . 1 1 32 32 SER H H 32 7.721 7.721 7.973 -0.252 19579 3530 1 6 . 1 1 33 33 ALA N N 33 126.048 126.048 124.303 1.745 19579 3531 1 6 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.244 -0.146 19579 3532 1 6 . 1 1 33 33 ALA C C 33 180.822 180.822 179.479 1.343 19579 3533 1 6 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.588 0.153 19579 3534 1 6 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.818 -0.789 19579 3535 1 6 . 1 1 33 33 ALA H H 33 8.980 8.980 8.746 0.234 19579 3536 1 6 . 1 1 34 34 GLU N N 34 117.978 117.978 119.671 -1.693 19579 3537 1 6 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.885 0.050 19579 3538 1 6 . 1 1 34 34 GLU C C 34 178.560 178.560 178.642 -0.082 19579 3539 1 6 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.117 1.256 19579 3540 1 6 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.245 -0.433 19579 3541 1 6 . 1 1 34 34 GLU H H 34 8.993 8.993 8.132 0.861 19579 3542 1 6 . 1 1 35 35 ALA N N 35 123.748 123.748 121.867 1.881 19579 3543 1 6 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.297 -0.246 19579 3544 1 6 . 1 1 35 35 ALA C C 35 179.101 179.101 179.568 -0.467 19579 3545 1 6 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.985 0.434 19579 3546 1 6 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.278 1.006 19579 3547 1 6 . 1 1 35 35 ALA H H 35 7.443 7.443 8.331 -0.888 19579 3548 1 6 . 1 1 36 36 ALA N N 36 118.503 118.503 119.961 -1.458 19579 3549 1 6 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.924 -0.169 19579 3550 1 6 . 1 1 36 36 ALA C C 36 180.745 180.745 179.803 0.942 19579 3551 1 6 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.056 0.485 19579 3552 1 6 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.968 -0.942 19579 3553 1 6 . 1 1 36 36 ALA H H 36 7.484 7.484 7.770 -0.286 19579 3554 1 6 . 1 1 37 37 SER N N 37 114.688 114.688 113.946 0.742 19579 3555 1 6 . 1 1 37 37 SER HA H 37 4.170 4.170 4.294 -0.124 19579 3556 1 6 . 1 1 37 37 SER C C 37 177.214 177.214 176.899 0.315 19579 3557 1 6 . 1 1 37 37 SER CA C 37 61.628 61.628 60.699 0.929 19579 3558 1 6 . 1 1 37 37 SER CB C 37 62.653 62.653 63.138 -0.485 19579 3559 1 6 . 1 1 37 37 SER H H 37 8.178 8.178 7.946 0.232 19579 3560 1 6 . 1 1 38 38 ARG N N 38 123.817 123.817 121.285 2.532 19579 3561 1 6 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.104 -0.100 19579 3562 1 6 . 1 1 38 38 ARG C C 38 179.564 179.564 178.240 1.324 19579 3563 1 6 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.089 1.568 19579 3564 1 6 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.556 1.257 19579 3565 1 6 . 1 1 38 38 ARG H H 38 7.882 7.882 8.118 -0.236 19579 3566 1 6 . 1 1 39 39 VAL N N 39 120.446 120.446 118.832 1.614 19579 3567 1 6 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.694 -0.365 19579 3568 1 6 . 1 1 39 39 VAL C C 39 178.505 178.505 177.623 0.882 19579 3569 1 6 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.516 1.678 19579 3570 1 6 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.957 -0.387 19579 3571 1 6 . 1 1 39 39 VAL H H 39 8.543 8.543 8.299 0.244 19579 3572 1 6 . 1 1 40 40 SER N N 40 114.009 114.009 114.596 -0.587 19579 3573 1 6 . 1 1 40 40 SER HA H 40 4.080 4.080 3.978 0.102 19579 3574 1 6 . 1 1 40 40 SER C C 40 176.340 176.340 176.335 0.005 19579 3575 1 6 . 1 1 40 40 SER CA C 40 62.940 62.940 62.111 0.829 19579 3576 1 6 . 1 1 40 40 SER CB C 40 62.953 62.953 62.594 0.359 19579 3577 1 6 . 1 1 40 40 SER H H 40 8.602 8.602 7.986 0.616 19579 3578 1 6 . 1 1 41 41 SER N N 41 114.648 114.648 115.453 -0.805 19579 3579 1 6 . 1 1 41 41 SER HA H 41 4.333 4.333 4.428 -0.095 19579 3580 1 6 . 1 1 41 41 SER C C 41 174.390 174.390 175.103 -0.713 19579 3581 1 6 . 1 1 41 41 SER CA C 41 60.828 60.828 59.498 1.329 19579 3582 1 6 . 1 1 41 41 SER CB C 41 63.563 63.563 63.140 0.423 19579 3583 1 6 . 1 1 41 41 SER H H 41 8.003 8.003 7.757 0.246 19579 3584 1 6 . 1 1 42 42 ASN N N 42 117.849 117.849 119.160 -1.311 19579 3585 1 6 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.897 0.067 19579 3586 1 6 . 1 1 42 42 ASN C C 42 174.677 174.677 177.153 -2.476 19579 3587 1 6 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.000 1.363 19579 3588 1 6 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.519 1.747 19579 3589 1 6 . 1 1 42 42 ASN H H 42 7.600 7.600 7.873 -0.273 19579 3590 1 6 . 1 1 43 43 ILE N N 43 116.952 116.952 118.699 -1.747 19579 3591 1 6 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.719 -0.048 19579 3592 1 6 . 1 1 43 43 ILE C C 43 176.773 176.773 177.126 -0.353 19579 3593 1 6 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.258 -0.031 19579 3594 1 6 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.164 0.246 19579 3595 1 6 . 1 1 43 43 ILE H H 43 7.336 7.336 8.471 -1.135 19579 3596 1 6 . 1 1 44 44 ALA N N 44 122.396 122.396 121.483 0.913 19579 3597 1 6 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.998 0.038 19579 3598 1 6 . 1 1 44 44 ALA C C 44 180.304 180.304 178.847 1.457 19579 3599 1 6 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.765 0.623 19579 3600 1 6 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.007 -0.519 19579 3601 1 6 . 1 1 44 44 ALA H H 44 8.617 8.617 8.358 0.259 19579 3602 1 6 . 1 1 45 45 ALA N N 45 120.804 120.804 120.625 0.179 19579 3603 1 6 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.189 -0.136 19579 3604 1 6 . 1 1 45 45 ALA C C 45 180.591 180.591 179.911 0.680 19579 3605 1 6 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.213 0.539 19579 3606 1 6 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.961 -0.344 19579 3607 1 6 . 1 1 45 45 ALA H H 45 7.913 7.913 7.450 0.463 19579 3608 1 6 . 1 1 46 46 ILE N N 46 117.637 117.637 119.584 -1.947 19579 3609 1 6 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.870 -0.242 19579 3610 1 6 . 1 1 46 46 ILE C C 46 177.612 177.612 178.481 -0.869 19579 3611 1 6 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.440 -1.161 19579 3612 1 6 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.862 -0.202 19579 3613 1 6 . 1 1 46 46 ILE H H 46 7.313 7.313 7.619 -0.306 19579 3614 1 6 . 1 1 47 47 ALA N N 47 121.493 121.493 122.285 -0.792 19579 3615 1 6 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.152 -0.208 19579 3616 1 6 . 1 1 47 47 ALA C C 47 178.538 178.538 178.315 0.223 19579 3617 1 6 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.467 0.920 19579 3618 1 6 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.391 0.588 19579 3619 1 6 . 1 1 47 47 ALA H H 47 8.413 8.413 8.407 0.006 19579 3620 1 6 . 1 1 48 48 SER N N 48 109.024 109.024 112.645 -3.621 19579 3621 1 6 . 1 1 48 48 SER HA H 48 4.352 4.352 4.613 -0.261 19579 3622 1 6 . 1 1 48 48 SER C C 48 176.056 176.056 174.526 1.530 19579 3623 1 6 . 1 1 48 48 SER CA C 48 59.977 59.977 58.629 1.348 19579 3624 1 6 . 1 1 48 48 SER CB C 48 63.838 63.838 64.094 -0.256 19579 3625 1 6 . 1 1 48 48 SER H H 48 8.030 8.030 7.535 0.495 19579 3626 1 6 . 1 1 49 49 GLY N N 49 108.121 108.121 107.730 0.391 19579 3627 1 6 . 1 1 49 49 GLY C C 49 174.820 174.820 174.917 -0.097 19579 3628 1 6 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.283 -0.090 19579 3629 1 6 . 1 1 49 49 GLY H H 49 8.048 8.048 7.517 0.531 19579 3630 1 6 . 1 1 50 50 GLY N N 50 111.955 111.955 110.033 1.922 19579 3631 1 6 . 1 1 50 50 GLY C C 50 174.975 174.975 174.040 0.935 19579 3632 1 6 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.333 -0.151 19579 3633 1 6 . 1 1 50 50 GLY H H 50 8.409 8.409 8.357 0.052 19579 3634 1 6 . 1 1 51 51 ALA N N 51 126.247 126.247 122.843 3.404 19579 3635 1 6 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.458 -0.639 19579 3636 1 6 . 1 1 51 51 ALA C C 51 179.697 179.697 178.948 0.749 19579 3637 1 6 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.551 2.509 19579 3638 1 6 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.926 -1.647 19579 3639 1 6 . 1 1 51 51 ALA H H 51 9.119 9.119 7.572 1.547 19579 3640 1 6 . 1 1 52 52 SER N N 52 111.975 111.975 117.179 -5.204 19579 3641 1 6 . 1 1 52 52 SER HA H 52 4.222 4.222 4.222 0.000 19579 3642 1 6 . 1 1 52 52 SER C C 52 174.983 174.983 175.303 -0.320 19579 3643 1 6 . 1 1 52 52 SER CA C 52 60.814 60.814 61.259 -0.445 19579 3644 1 6 . 1 1 52 52 SER CB C 52 62.977 62.977 62.984 -0.007 19579 3645 1 6 . 1 1 52 52 SER H H 52 8.231 8.231 8.762 -0.531 19579 3646 1 6 . 1 1 53 53 ALA N N 53 122.484 122.484 121.499 0.985 19579 3647 1 6 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.359 0.043 19579 3648 1 6 . 1 1 53 53 ALA C C 53 177.391 177.391 178.483 -1.092 19579 3649 1 6 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.795 -0.668 19579 3650 1 6 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.682 1.264 19579 3651 1 6 . 1 1 53 53 ALA H H 53 7.602 7.602 8.000 -0.398 19579 3652 1 6 . 1 1 54 54 LEU N N 54 117.414 117.414 120.458 -3.044 19579 3653 1 6 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.055 -0.176 19579 3654 1 6 . 1 1 54 54 LEU C C 54 174.434 174.434 176.079 -1.645 19579 3655 1 6 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.465 -0.150 19579 3656 1 6 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.445 0.175 19579 3657 1 6 . 1 1 54 54 LEU H H 54 7.408 7.408 7.647 -0.239 19579 3658 1 6 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.323 -0.132 19579 3659 1 6 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.431 1.503 19579 3660 1 6 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.050 0.000 19579 3661 1 6 . 1 1 56 56 SER N N 56 113.559 113.559 112.596 0.963 19579 3662 1 6 . 1 1 56 56 SER HA H 56 4.234 4.234 4.361 -0.127 19579 3663 1 6 . 1 1 56 56 SER C C 56 176.552 176.552 175.504 1.048 19579 3664 1 6 . 1 1 56 56 SER CA C 56 61.233 61.233 60.827 0.406 19579 3665 1 6 . 1 1 56 56 SER CB C 56 62.733 62.733 63.427 -0.694 19579 3666 1 6 . 1 1 56 56 SER H H 56 7.834 7.834 7.346 0.488 19579 3667 1 6 . 1 1 57 57 VAL N N 57 123.292 123.292 120.457 2.835 19579 3668 1 6 . 1 1 57 57 VAL HA H 57 3.743 3.743 3.989 -0.246 19579 3669 1 6 . 1 1 57 57 VAL C C 57 178.042 178.042 177.255 0.787 19579 3670 1 6 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.161 1.299 19579 3671 1 6 . 1 1 57 57 VAL CB C 57 31.768 31.768 32.779 -1.011 19579 3672 1 6 . 1 1 57 57 VAL H H 57 8.263 8.263 7.782 0.481 19579 3673 1 6 . 1 1 58 58 ILE N N 58 118.510 118.510 120.344 -1.834 19579 3674 1 6 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.697 -0.013 19579 3675 1 6 . 1 1 58 58 ILE C C 58 176.221 176.221 178.055 -1.834 19579 3676 1 6 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.029 -0.947 19579 3677 1 6 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.787 -0.438 19579 3678 1 6 . 1 1 58 58 ILE H H 58 8.873 8.873 8.502 0.371 19579 3679 1 6 . 1 1 59 59 SER N N 59 114.238 114.238 113.137 1.101 19579 3680 1 6 . 1 1 59 59 SER HA H 59 4.305 4.305 4.453 -0.148 19579 3681 1 6 . 1 1 59 59 SER C C 59 177.534 177.534 176.371 1.163 19579 3682 1 6 . 1 1 59 59 SER CA C 59 61.586 61.586 60.776 0.810 19579 3683 1 6 . 1 1 59 59 SER CB C 59 62.951 62.951 63.158 -0.207 19579 3684 1 6 . 1 1 59 59 SER H H 59 7.388 7.388 8.517 -1.129 19579 3685 1 6 . 1 1 60 60 ASN N N 60 120.810 120.810 120.619 0.191 19579 3686 1 6 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.625 -0.265 19579 3687 1 6 . 1 1 60 60 ASN C C 60 178.616 178.616 177.674 0.942 19579 3688 1 6 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.773 0.942 19579 3689 1 6 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.547 0.449 19579 3690 1 6 . 1 1 60 60 ASN H H 60 8.147 8.147 7.805 0.342 19579 3691 1 6 . 1 1 61 61 ILE N N 61 121.116 121.116 121.053 0.063 19579 3692 1 6 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.665 -0.144 19579 3693 1 6 . 1 1 61 61 ILE C C 61 176.972 176.972 177.721 -0.749 19579 3694 1 6 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.262 1.300 19579 3695 1 6 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.017 0.989 19579 3696 1 6 . 1 1 61 61 ILE H H 61 8.642 8.642 7.736 0.906 19579 3697 1 6 . 1 1 62 62 TYR N N 62 119.953 119.953 120.341 -0.388 19579 3698 1 6 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.991 -0.368 19579 3699 1 6 . 1 1 62 62 TYR C C 62 176.828 176.828 177.478 -0.650 19579 3700 1 6 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.714 1.369 19579 3701 1 6 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.229 0.746 19579 3702 1 6 . 1 1 62 62 TYR H H 62 9.192 9.192 8.165 1.027 19579 3703 1 6 . 1 1 63 63 SER N N 63 111.464 111.464 114.051 -2.587 19579 3704 1 6 . 1 1 63 63 SER HA H 63 4.035 4.035 4.153 -0.118 19579 3705 1 6 . 1 1 63 63 SER C C 63 177.325 177.325 177.012 0.313 19579 3706 1 6 . 1 1 63 63 SER CA C 63 62.027 62.027 61.298 0.729 19579 3707 1 6 . 1 1 63 63 SER CB C 63 62.565 62.565 62.368 0.197 19579 3708 1 6 . 1 1 63 63 SER H H 63 8.320 8.320 8.018 0.302 19579 3709 1 6 . 1 1 64 64 GLY N N 64 110.383 110.383 109.030 1.353 19579 3710 1 6 . 1 1 64 64 GLY C C 64 175.581 175.581 176.206 -0.625 19579 3711 1 6 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.795 0.519 19579 3712 1 6 . 1 1 64 64 GLY H H 64 7.724 7.724 7.423 0.301 19579 3713 1 6 . 1 1 65 65 VAL N N 65 124.665 124.665 122.215 2.450 19579 3714 1 6 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.761 -0.517 19579 3715 1 6 . 1 1 65 65 VAL C C 65 180.072 180.072 177.770 2.302 19579 3716 1 6 . 1 1 65 65 VAL CA C 65 67.004 67.004 64.958 2.046 19579 3717 1 6 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.299 0.409 19579 3718 1 6 . 1 1 65 65 VAL H H 65 8.584 8.584 7.480 1.104 19579 3719 1 6 . 1 1 66 66 VAL N N 66 120.803 120.803 120.107 0.696 19579 3720 1 6 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.588 0.135 19579 3721 1 6 . 1 1 66 66 VAL C C 66 179.829 179.829 178.490 1.339 19579 3722 1 6 . 1 1 66 66 VAL CA C 66 66.215 66.215 66.000 0.215 19579 3723 1 6 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.926 0.829 19579 3724 1 6 . 1 1 66 66 VAL H H 66 8.305 8.305 7.775 0.530 19579 3725 1 6 . 1 1 67 67 ALA N N 67 123.266 123.266 121.907 1.359 19579 3726 1 6 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.131 0.033 19579 3727 1 6 . 1 1 67 67 ALA C C 67 178.560 178.560 178.874 -0.314 19579 3728 1 6 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.588 -0.164 19579 3729 1 6 . 1 1 67 67 ALA CB C 67 18.011 18.011 17.912 0.099 19579 3730 1 6 . 1 1 67 67 ALA H H 67 7.979 7.979 8.001 -0.022 19579 3731 1 6 . 1 1 68 68 SER N N 68 112.669 112.669 114.030 -1.361 19579 3732 1 6 . 1 1 68 68 SER HA H 68 4.436 4.436 4.302 0.134 19579 3733 1 6 . 1 1 68 68 SER C C 68 174.555 174.555 175.168 -0.613 19579 3734 1 6 . 1 1 68 68 SER CA C 68 59.634 59.634 58.993 0.641 19579 3735 1 6 . 1 1 68 68 SER CB C 68 63.943 63.943 63.652 0.291 19579 3736 1 6 . 1 1 68 68 SER H H 68 7.674 7.674 7.768 -0.094 19579 3737 1 6 . 1 1 69 69 GLY N N 69 109.146 109.146 108.177 0.969 19579 3738 1 6 . 1 1 69 69 GLY C C 69 173.904 173.904 173.833 0.071 19579 3739 1 6 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.834 0.397 19579 3740 1 6 . 1 1 69 69 GLY H H 69 7.939 7.939 7.611 0.328 19579 3741 1 6 . 1 1 70 70 VAL N N 70 119.926 119.926 118.636 1.290 19579 3742 1 6 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.419 -0.509 19579 3743 1 6 . 1 1 70 70 VAL C C 70 174.997 174.997 175.581 -0.584 19579 3744 1 6 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.355 1.929 19579 3745 1 6 . 1 1 70 70 VAL CB C 70 32.424 32.424 34.062 -1.638 19579 3746 1 6 . 1 1 70 70 VAL H H 70 6.723 6.723 7.397 -0.674 19579 3747 1 6 . 1 1 71 71 SER N N 71 120.581 120.581 118.153 2.428 19579 3748 1 6 . 1 1 71 71 SER HA H 71 4.386 4.386 4.485 -0.099 19579 3749 1 6 . 1 1 71 71 SER C C 71 175.559 175.559 175.385 0.174 19579 3750 1 6 . 1 1 71 71 SER CA C 71 58.441 58.441 57.203 1.238 19579 3751 1 6 . 1 1 71 71 SER CB C 71 64.632 64.632 64.537 0.095 19579 3752 1 6 . 1 1 71 71 SER H H 71 8.577 8.577 8.308 0.269 19579 3753 1 6 . 1 1 72 72 SER N N 72 117.898 117.898 118.249 -0.351 19579 3754 1 6 . 1 1 72 72 SER HA H 72 4.083 4.083 4.153 -0.070 19579 3755 1 6 . 1 1 72 72 SER C C 72 176.255 176.255 176.058 0.197 19579 3756 1 6 . 1 1 72 72 SER CA C 72 61.586 61.586 61.834 -0.248 19579 3757 1 6 . 1 1 72 72 SER CB C 72 62.622 62.622 63.267 -0.645 19579 3758 1 6 . 1 1 72 72 SER H H 72 8.889 8.889 8.792 0.097 19579 3759 1 6 . 1 1 73 73 ASN N N 73 118.976 118.976 118.787 0.189 19579 3760 1 6 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.381 0.276 19579 3761 1 6 . 1 1 73 73 ASN C C 73 176.506 176.506 177.405 -0.899 19579 3762 1 6 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.948 0.113 19579 3763 1 6 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.326 -0.326 19579 3764 1 6 . 1 1 73 73 ASN H H 73 8.519 8.519 8.548 -0.029 19579 3765 1 6 . 1 1 74 74 GLU N N 74 118.543 118.543 119.138 -0.595 19579 3766 1 6 . 1 1 74 74 GLU HA H 74 4.110 4.110 3.924 0.186 19579 3767 1 6 . 1 1 74 74 GLU C C 74 176.994 176.994 177.983 -0.989 19579 3768 1 6 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.521 -0.495 19579 3769 1 6 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.388 1.975 19579 3770 1 6 . 1 1 74 74 GLU H H 74 7.768 7.768 7.657 0.111 19579 3771 1 6 . 1 1 75 75 ALA N N 75 121.901 121.901 124.230 -2.329 19579 3772 1 6 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.916 -0.226 19579 3773 1 6 . 1 1 75 75 ALA C C 75 178.318 178.318 179.291 -0.973 19579 3774 1 6 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.328 -0.100 19579 3775 1 6 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.328 0.313 19579 3776 1 6 . 1 1 75 75 ALA H H 75 8.069 8.069 8.409 -0.340 19579 3777 1 6 . 1 1 76 76 LEU N N 76 117.360 117.360 119.645 -2.285 19579 3778 1 6 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.144 -0.034 19579 3779 1 6 . 1 1 76 76 LEU C C 76 177.854 177.854 178.742 -0.888 19579 3780 1 6 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.852 0.162 19579 3781 1 6 . 1 1 76 76 LEU CB C 76 40.768 40.768 41.995 -1.227 19579 3782 1 6 . 1 1 76 76 LEU H H 76 8.121 8.121 8.018 0.103 19579 3783 1 6 . 1 1 77 77 ILE N N 77 116.714 116.714 119.174 -2.460 19579 3784 1 6 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.606 -0.154 19579 3785 1 6 . 1 1 77 77 ILE C C 77 176.883 176.883 178.017 -1.134 19579 3786 1 6 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.907 -0.649 19579 3787 1 6 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.820 -0.078 19579 3788 1 6 . 1 1 77 77 ILE H H 77 7.607 7.607 7.676 -0.069 19579 3789 1 6 . 1 1 78 78 GLN N N 78 119.338 119.338 119.620 -0.282 19579 3790 1 6 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.887 -0.255 19579 3791 1 6 . 1 1 78 78 GLN C C 78 177.521 177.521 178.233 -0.712 19579 3792 1 6 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.383 0.937 19579 3793 1 6 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.561 -0.386 19579 3794 1 6 . 1 1 78 78 GLN H H 78 8.119 8.119 8.510 -0.391 19579 3795 1 6 . 1 1 79 79 ALA N N 79 119.218 119.218 122.318 -3.100 19579 3796 1 6 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.019 -0.147 19579 3797 1 6 . 1 1 79 79 ALA C C 79 179.311 179.311 179.760 -0.449 19579 3798 1 6 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.144 -0.319 19579 3799 1 6 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.367 -0.548 19579 3800 1 6 . 1 1 79 79 ALA H H 79 8.639 8.639 7.622 1.017 19579 3801 1 6 . 1 1 80 80 LEU N N 80 116.262 116.262 118.648 -2.386 19579 3802 1 6 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.937 -0.038 19579 3803 1 6 . 1 1 80 80 LEU C C 80 178.914 178.914 179.188 -0.274 19579 3804 1 6 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.523 0.488 19579 3805 1 6 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.651 -0.036 19579 3806 1 6 . 1 1 80 80 LEU H H 80 8.450 8.450 7.750 0.700 19579 3807 1 6 . 1 1 81 81 LEU N N 81 118.995 118.995 119.937 -0.942 19579 3808 1 6 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.867 0.105 19579 3809 1 6 . 1 1 81 81 LEU C C 81 180.127 180.127 179.292 0.835 19579 3810 1 6 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.360 -0.377 19579 3811 1 6 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.132 1.411 19579 3812 1 6 . 1 1 81 81 LEU H H 81 8.151 8.151 8.441 -0.290 19579 3813 1 6 . 1 1 82 82 GLU N N 82 124.890 124.890 119.458 5.432 19579 3814 1 6 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.038 -0.405 19579 3815 1 6 . 1 1 82 82 GLU C C 82 178.505 178.505 179.398 -0.893 19579 3816 1 6 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.261 2.039 19579 3817 1 6 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.547 0.232 19579 3818 1 6 . 1 1 82 82 GLU H H 82 8.659 8.659 8.082 0.577 19579 3819 1 6 . 1 1 83 83 LEU N N 83 121.487 121.487 121.231 0.256 19579 3820 1 6 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.111 -0.291 19579 3821 1 6 . 1 1 83 83 LEU C C 83 178.163 178.163 178.887 -0.724 19579 3822 1 6 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.891 0.264 19579 3823 1 6 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.401 0.233 19579 3824 1 6 . 1 1 83 83 LEU H H 83 8.658 8.658 7.876 0.782 19579 3825 1 6 . 1 1 84 84 LEU N N 84 118.904 118.904 116.633 2.271 19579 3826 1 6 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.173 -0.387 19579 3827 1 6 . 1 1 84 84 LEU C C 84 178.064 178.064 178.148 -0.084 19579 3828 1 6 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.566 2.097 19579 3829 1 6 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.625 1.580 19579 3830 1 6 . 1 1 84 84 LEU H H 84 8.803 8.803 8.505 0.298 19579 3831 1 6 . 1 1 85 85 SER N N 85 114.347 114.347 114.358 -0.011 19579 3832 1 6 . 1 1 85 85 SER HA H 85 4.211 4.211 4.503 -0.292 19579 3833 1 6 . 1 1 85 85 SER C C 85 174.633 174.633 175.370 -0.737 19579 3834 1 6 . 1 1 85 85 SER CA C 85 62.957 62.957 60.917 2.040 19579 3835 1 6 . 1 1 85 85 SER CB C 85 62.947 62.947 63.896 -0.949 19579 3836 1 6 . 1 1 85 85 SER H H 85 7.879 7.879 7.270 0.609 19579 3837 1 6 . 1 1 86 86 ALA N N 86 124.206 124.206 125.786 -1.580 19579 3838 1 6 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.055 -0.285 19579 3839 1 6 . 1 1 86 86 ALA C C 86 178.538 178.538 179.110 -0.572 19579 3840 1 6 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.438 -0.071 19579 3841 1 6 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.398 -1.054 19579 3842 1 6 . 1 1 86 86 ALA H H 86 8.199 8.199 7.622 0.577 19579 3843 1 6 . 1 1 87 87 LEU N N 87 116.463 116.463 115.102 1.361 19579 3844 1 6 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.207 -0.386 19579 3845 1 6 . 1 1 87 87 LEU C C 87 178.709 178.709 178.514 0.195 19579 3846 1 6 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.673 0.681 19579 3847 1 6 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.359 2.235 19579 3848 1 6 . 1 1 87 87 LEU H H 87 8.140 8.140 7.560 0.580 19579 3849 1 6 . 1 1 88 88 VAL N N 88 118.854 118.854 119.780 -0.926 19579 3850 1 6 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.700 -0.297 19579 3851 1 6 . 1 1 88 88 VAL C C 88 177.766 177.766 178.057 -0.291 19579 3852 1 6 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.748 -0.082 19579 3853 1 6 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.454 -0.007 19579 3854 1 6 . 1 1 88 88 VAL H H 88 8.716 8.716 7.590 1.126 19579 3855 1 6 . 1 1 89 89 HIS N N 89 121.227 121.227 119.369 1.858 19579 3856 1 6 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.356 -0.317 19579 3857 1 6 . 1 1 89 89 HIS C C 89 178.880 178.880 178.017 0.863 19579 3858 1 6 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.845 1.477 19579 3859 1 6 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.302 1.446 19579 3860 1 6 . 1 1 89 89 HIS H H 89 8.664 8.664 7.797 0.867 19579 3861 1 6 . 1 1 90 90 VAL N N 90 118.094 118.094 117.974 0.120 19579 3862 1 6 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.843 -0.276 19579 3863 1 6 . 1 1 90 90 VAL C C 90 177.733 177.733 177.366 0.367 19579 3864 1 6 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.505 1.325 19579 3865 1 6 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.698 -0.098 19579 3866 1 6 . 1 1 90 90 VAL H H 90 7.994 7.994 7.628 0.366 19579 3867 1 6 . 1 1 91 91 LEU N N 91 119.672 119.672 120.362 -0.690 19579 3868 1 6 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.069 -0.237 19579 3869 1 6 . 1 1 91 91 LEU C C 91 178.869 178.869 178.988 -0.119 19579 3870 1 6 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.551 0.207 19579 3871 1 6 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.246 1.693 19579 3872 1 6 . 1 1 91 91 LEU H H 91 8.393 8.393 7.899 0.494 19579 3873 1 6 . 1 1 92 92 SER N N 92 113.554 113.554 113.350 0.204 19579 3874 1 6 . 1 1 92 92 SER HA H 92 4.297 4.297 4.214 0.083 19579 3875 1 6 . 1 1 92 92 SER C C 92 174.500 174.500 175.693 -1.193 19579 3876 1 6 . 1 1 92 92 SER CA C 92 61.410 61.410 60.822 0.588 19579 3877 1 6 . 1 1 92 92 SER CB C 92 63.254 63.254 63.075 0.179 19579 3878 1 6 . 1 1 92 92 SER H H 92 7.900 7.900 7.722 0.178 19579 3879 1 6 . 1 1 93 93 SER N N 93 115.055 115.055 115.391 -0.336 19579 3880 1 6 . 1 1 93 93 SER HA H 93 4.704 4.704 4.547 0.157 19579 3881 1 6 . 1 1 93 93 SER C C 93 173.044 173.044 174.408 -1.364 19579 3882 1 6 . 1 1 93 93 SER CA C 93 57.967 57.967 58.836 -0.869 19579 3883 1 6 . 1 1 93 93 SER CB C 93 64.574 64.574 64.037 0.537 19579 3884 1 6 . 1 1 93 93 SER H H 93 7.420 7.420 7.484 -0.064 19579 3885 1 6 . 1 1 94 94 ALA N N 94 124.504 124.504 125.587 -1.083 19579 3886 1 6 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.231 0.398 19579 3887 1 6 . 1 1 94 94 ALA C C 94 176.199 176.199 177.681 -1.482 19579 3888 1 6 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.154 -1.685 19579 3889 1 6 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.183 2.437 19579 3890 1 6 . 1 1 94 94 ALA H H 94 7.476 7.476 7.483 -0.007 19579 3891 1 6 . 1 1 95 95 SER N N 95 115.739 115.739 114.333 1.406 19579 3892 1 6 . 1 1 95 95 SER HA H 95 4.758 4.758 4.144 0.614 19579 3893 1 6 . 1 1 95 95 SER C C 95 174.136 174.136 174.244 -0.108 19579 3894 1 6 . 1 1 95 95 SER CA C 95 57.343 57.343 58.779 -1.436 19579 3895 1 6 . 1 1 95 95 SER CB C 95 63.303 63.303 61.217 2.086 19579 3896 1 6 . 1 1 95 95 SER H H 95 8.483 8.483 7.834 0.649 19579 3897 1 6 . 1 1 96 96 ILE N N 96 128.288 128.288 121.838 6.450 19579 3898 1 6 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.076 -0.083 19579 3899 1 6 . 1 1 96 96 ILE C C 96 175.868 175.868 176.215 -0.347 19579 3900 1 6 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.272 -0.910 19579 3901 1 6 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.803 -0.190 19579 3902 1 6 . 1 1 96 96 ILE H H 96 8.869 8.869 8.466 0.403 19579 3903 1 6 . 1 1 97 97 GLY N N 97 115.495 115.495 116.082 -0.587 19579 3904 1 6 . 1 1 97 97 GLY C C 97 173.022 173.022 173.861 -0.839 19579 3905 1 6 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.071 -0.201 19579 3906 1 6 . 1 1 97 97 GLY H H 97 8.272 8.272 8.578 -0.306 19579 3907 1 6 . 1 1 98 98 ASN N N 98 120.819 120.819 120.865 -0.046 19579 3908 1 6 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.918 -0.270 19579 3909 1 6 . 1 1 98 98 ASN C C 98 174.809 174.809 174.474 0.335 19579 3910 1 6 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.526 0.900 19579 3911 1 6 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.466 -0.801 19579 3912 1 6 . 1 1 98 98 ASN H H 98 8.420 8.420 8.328 0.092 19579 3913 1 6 . 1 1 99 99 VAL N N 99 122.960 122.960 123.540 -0.580 19579 3914 1 6 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.375 -0.201 19579 3915 1 6 . 1 1 99 99 VAL C C 99 174.500 174.500 176.149 -1.649 19579 3916 1 6 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.851 -0.483 19579 3917 1 6 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.098 0.308 19579 3918 1 6 . 1 1 99 99 VAL H H 99 8.292 8.292 8.515 -0.223 19579 3919 1 6 . 1 1 100 100 SER N N 100 120.723 120.723 120.218 0.505 19579 3920 1 6 . 1 1 100 100 SER HA H 100 4.756 4.756 4.646 0.110 19579 3921 1 6 . 1 1 100 100 SER C C 100 174.235 174.235 174.537 -0.302 19579 3922 1 6 . 1 1 100 100 SER CA C 100 56.687 56.687 58.015 -1.328 19579 3923 1 6 . 1 1 100 100 SER CB C 100 64.904 64.904 63.944 0.960 19579 3924 1 6 . 1 1 100 100 SER H H 100 8.644 8.644 8.470 0.174 19579 3925 1 6 . 1 1 101 101 SER N N 101 117.236 117.236 115.815 1.421 19579 3926 1 6 . 1 1 101 101 SER HA H 101 4.130 4.130 4.693 -0.563 19579 3927 1 6 . 1 1 101 101 SER CA C 101 59.000 59.000 58.328 0.672 19579 3928 1 6 . 1 1 101 101 SER CB C 101 63.104 63.104 64.273 -1.169 19579 3929 1 6 . 1 1 102 102 VAL N N 102 124.874 124.874 123.478 1.396 19579 3930 1 6 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.158 -0.337 19579 3931 1 6 . 1 1 102 102 VAL C C 102 177.545 177.545 176.374 1.171 19579 3932 1 6 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.118 2.464 19579 3933 1 6 . 1 1 102 102 VAL CB C 102 31.480 31.480 30.802 0.678 19579 3934 1 6 . 1 1 102 102 VAL H H 102 8.090 8.090 7.416 0.674 19579 3935 1 6 . 1 1 103 103 GLY N N 103 114.589 114.589 114.698 -0.109 19579 3936 1 6 . 1 1 103 103 GLY C C 103 176.387 176.387 175.424 0.963 19579 3937 1 6 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.888 0.798 19579 3938 1 6 . 1 1 103 103 GLY H H 103 9.051 9.051 8.485 0.566 19579 3939 1 6 . 1 1 104 104 VAL N N 104 121.976 121.976 121.094 0.882 19579 3940 1 6 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.666 -0.318 19579 3941 1 6 . 1 1 104 104 VAL C C 104 176.045 176.045 176.830 -0.785 19579 3942 1 6 . 1 1 104 104 VAL CA C 104 65.889 65.889 65.413 0.476 19579 3943 1 6 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.206 0.059 19579 3944 1 6 . 1 1 104 104 VAL H H 104 7.753 7.753 7.782 -0.029 19579 3945 1 6 . 1 1 105 105 ASP N N 105 117.868 117.868 118.155 -0.287 19579 3946 1 6 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.321 -0.170 19579 3947 1 6 . 1 1 105 105 ASP C C 105 178.406 178.406 178.002 0.404 19579 3948 1 6 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.352 -0.643 19579 3949 1 6 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.798 -2.147 19579 3950 1 6 . 1 1 105 105 ASP H H 105 8.719 8.719 8.767 -0.048 19579 3951 1 6 . 1 1 106 106 SER N N 106 117.500 117.500 113.040 4.460 19579 3952 1 6 . 1 1 106 106 SER HA H 106 4.306 4.306 4.464 -0.158 19579 3953 1 6 . 1 1 106 106 SER C C 106 176.784 176.784 176.249 0.535 19579 3954 1 6 . 1 1 106 106 SER CA C 106 61.523 61.523 60.926 0.597 19579 3955 1 6 . 1 1 106 106 SER CB C 106 62.480 62.480 63.803 -1.323 19579 3956 1 6 . 1 1 106 106 SER H H 106 7.685 7.685 7.712 -0.027 19579 3957 1 6 . 1 1 107 107 THR N N 107 121.741 121.741 119.690 2.051 19579 3958 1 6 . 1 1 107 107 THR HA H 107 4.373 4.373 4.096 0.277 19579 3959 1 6 . 1 1 107 107 THR C C 107 176.227 176.227 176.884 -0.657 19579 3960 1 6 . 1 1 107 107 THR CA C 107 66.648 66.648 66.052 0.596 19579 3961 1 6 . 1 1 107 107 THR CB C 107 66.884 66.884 68.859 -1.975 19579 3962 1 6 . 1 1 107 107 THR H H 107 8.024 8.024 7.765 0.259 19579 3963 1 6 . 1 1 108 108 LEU N N 108 122.175 122.175 121.323 0.852 19579 3964 1 6 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.004 -0.088 19579 3965 1 6 . 1 1 108 108 LEU C C 108 178.560 178.560 178.050 0.510 19579 3966 1 6 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.897 1.272 19579 3967 1 6 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.448 -0.419 19579 3968 1 6 . 1 1 108 108 LEU H H 108 8.475 8.475 8.495 -0.020 19579 3969 1 6 . 1 1 109 109 ASN N N 109 116.499 116.499 116.640 -0.141 19579 3970 1 6 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.681 -0.195 19579 3971 1 6 . 1 1 109 109 ASN C C 109 177.181 177.181 177.225 -0.044 19579 3972 1 6 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.499 1.000 19579 3973 1 6 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.651 0.334 19579 3974 1 6 . 1 1 109 109 ASN H H 109 7.567 7.567 7.465 0.102 19579 3975 1 6 . 1 1 110 110 VAL N N 110 121.382 121.382 119.912 1.470 19579 3976 1 6 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.853 0.024 19579 3977 1 6 . 1 1 110 110 VAL C C 110 180.116 180.116 178.062 2.054 19579 3978 1 6 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.953 0.283 19579 3979 1 6 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.390 0.170 19579 3980 1 6 . 1 1 110 110 VAL H H 110 7.978 7.978 7.850 0.128 19579 3981 1 6 . 1 1 111 111 VAL N N 111 123.748 123.748 120.963 2.785 19579 3982 1 6 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.912 -0.554 19579 3983 1 6 . 1 1 111 111 VAL C C 111 177.424 177.424 177.555 -0.131 19579 3984 1 6 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.585 3.597 19579 3985 1 6 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.902 -0.796 19579 3986 1 6 . 1 1 111 111 VAL H H 111 8.228 8.228 7.510 0.718 19579 3987 1 6 . 1 1 112 112 GLN N N 112 120.331 120.331 118.764 1.567 19579 3988 1 6 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.907 -0.309 19579 3989 1 6 . 1 1 112 112 GLN C C 112 178.329 178.329 178.071 0.258 19579 3990 1 6 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.571 0.738 19579 3991 1 6 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.263 1.878 19579 3992 1 6 . 1 1 112 112 GLN H H 112 8.719 8.719 7.668 1.051 19579 3993 1 6 . 1 1 113 113 ASP N N 113 117.931 117.931 115.134 2.797 19579 3994 1 6 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.499 -0.149 19579 3995 1 6 . 1 1 113 113 ASP C C 113 178.406 178.406 177.025 1.381 19579 3996 1 6 . 1 1 113 113 ASP CA C 113 57.029 57.029 55.988 1.041 19579 3997 1 6 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.792 0.502 19579 3998 1 6 . 1 1 113 113 ASP H H 113 8.410 8.410 8.119 0.291 19579 3999 1 6 . 1 1 114 114 SER N N 114 113.798 113.798 113.749 0.049 19579 4000 1 6 . 1 1 114 114 SER HA H 114 4.310 4.310 4.446 -0.136 19579 4001 1 6 . 1 1 114 114 SER C C 114 175.416 175.416 175.550 -0.134 19579 4002 1 6 . 1 1 114 114 SER CA C 114 61.981 61.981 59.951 2.030 19579 4003 1 6 . 1 1 114 114 SER CB C 114 63.618 63.618 64.780 -1.162 19579 4004 1 6 . 1 1 114 114 SER H H 114 7.973 7.973 7.487 0.486 19579 4005 1 6 . 1 1 115 115 VAL N N 115 115.306 115.306 121.723 -6.417 19579 4006 1 6 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.459 -0.252 19579 4007 1 6 . 1 1 115 115 VAL C C 115 177.325 177.325 177.138 0.187 19579 4008 1 6 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.445 0.819 19579 4009 1 6 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.946 -0.579 19579 4010 1 6 . 1 1 115 115 VAL H H 115 8.090 8.090 7.998 0.092 19579 4011 1 6 . 1 1 116 116 GLY N N 116 107.952 107.952 109.397 -1.445 19579 4012 1 6 . 1 1 116 116 GLY C C 116 175.129 175.129 174.784 0.345 19579 4013 1 6 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.802 0.028 19579 4014 1 6 . 1 1 116 116 GLY H H 116 7.991 7.991 7.963 0.028 19579 4015 1 6 . 1 1 117 117 GLN N N 117 116.191 116.191 117.896 -1.705 19579 4016 1 6 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.959 0.094 19579 4017 1 6 . 1 1 117 117 GLN C C 117 176.056 176.056 176.151 -0.095 19579 4018 1 6 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.277 -0.221 19579 4019 1 6 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.514 0.978 19579 4020 1 6 . 1 1 117 117 GLN H H 117 7.721 7.721 8.079 -0.358 19579 4021 1 6 . 1 1 118 118 TYR N N 118 116.504 116.504 118.802 -2.298 19579 4022 1 6 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.398 -0.172 19579 4023 1 6 . 1 1 118 118 TYR C C 118 174.919 174.919 177.570 -2.651 19579 4024 1 6 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.454 -0.803 19579 4025 1 6 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.677 -0.686 19579 4026 1 6 . 1 1 118 118 TYR H H 118 7.685 7.685 7.820 -0.135 19579 4027 1 6 . 1 1 119 119 VAL N N 119 115.145 115.145 117.600 -2.455 19579 4028 1 6 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.995 0.199 19579 4029 1 6 . 1 1 119 119 VAL C C 119 174.666 174.666 177.383 -2.717 19579 4030 1 6 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.834 -1.872 19579 4031 1 6 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.971 0.646 19579 4032 1 6 . 1 1 119 119 VAL H H 119 7.132 7.132 7.739 -0.607 19579 4033 1 7 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.907 -0.031 19579 4034 1 7 . 1 1 -2 -2 ASN N N -2 118.808 118.808 119.744 -0.936 19579 4035 1 7 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.722 0.462 19579 4036 1 7 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.789 0.609 19579 4037 1 7 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.184 0.123 19579 4038 1 7 . 1 1 2 2 THR N N 2 116.876 116.876 123.210 -6.334 19579 4039 1 7 . 1 1 2 2 THR HA H 2 4.348 4.348 4.430 -0.082 19579 4040 1 7 . 1 1 2 2 THR C C 2 174.600 174.600 174.680 -0.080 19579 4041 1 7 . 1 1 2 2 THR CA C 2 61.785 61.785 62.618 -0.833 19579 4042 1 7 . 1 1 2 2 THR CB C 2 69.800 69.800 68.549 1.251 19579 4043 1 7 . 1 1 2 2 THR H H 2 8.176 8.176 8.494 -0.318 19579 4044 1 7 . 1 1 3 3 SER N N 3 117.968 117.968 122.767 -4.799 19579 4045 1 7 . 1 1 3 3 SER C C 3 174.732 174.732 174.903 -0.171 19579 4046 1 7 . 1 1 3 3 SER CA C 3 58.585 58.585 59.381 -0.796 19579 4047 1 7 . 1 1 3 3 SER H H 3 8.248 8.248 8.491 -0.243 19579 4048 1 7 . 1 1 5 5 GLY N N 5 108.381 108.381 107.778 0.603 19579 4049 1 7 . 1 1 5 5 GLY C C 5 173.728 173.728 173.077 0.651 19579 4050 1 7 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.414 0.801 19579 4051 1 7 . 1 1 5 5 GLY H H 5 8.134 8.134 7.609 0.525 19579 4052 1 7 . 1 1 6 6 TYR N N 6 120.011 120.011 119.369 0.642 19579 4053 1 7 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.793 -0.329 19579 4054 1 7 . 1 1 6 6 TYR C C 6 176.232 176.232 175.380 0.852 19579 4055 1 7 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.971 0.204 19579 4056 1 7 . 1 1 6 6 TYR CB C 6 38.764 38.764 40.307 -1.543 19579 4057 1 7 . 1 1 6 6 TYR H H 6 8.096 8.096 7.954 0.142 19579 4058 1 7 . 1 1 7 7 GLY N N 7 110.530 110.530 111.346 -0.816 19579 4059 1 7 . 1 1 7 7 GLY C C 7 173.772 173.772 173.691 0.081 19579 4060 1 7 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.853 -0.631 19579 4061 1 7 . 1 1 7 7 GLY H H 7 8.283 8.283 8.685 -0.402 19579 4062 1 7 . 1 1 8 8 TYR N N 8 120.132 120.132 122.498 -2.366 19579 4063 1 7 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.805 -0.322 19579 4064 1 7 . 1 1 8 8 TYR C C 8 176.420 176.420 175.588 0.832 19579 4065 1 7 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.369 1.965 19579 4066 1 7 . 1 1 8 8 TYR CB C 8 38.745 38.745 37.649 1.096 19579 4067 1 7 . 1 1 8 8 TYR H H 8 7.987 7.987 7.786 0.201 19579 4068 1 7 . 1 1 9 9 GLY N N 9 110.831 110.831 114.098 -3.267 19579 4069 1 7 . 1 1 9 9 GLY C C 9 174.335 174.335 175.053 -0.718 19579 4070 1 7 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.730 -0.281 19579 4071 1 7 . 1 1 9 9 GLY H H 9 8.400 8.400 8.709 -0.309 19579 4072 1 7 . 1 1 10 10 THR N N 10 113.216 113.216 114.401 -1.185 19579 4073 1 7 . 1 1 10 10 THR HA H 10 4.366 4.366 4.328 0.038 19579 4074 1 7 . 1 1 10 10 THR C C 10 174.721 174.721 175.283 -0.562 19579 4075 1 7 . 1 1 10 10 THR CA C 10 61.829 61.829 61.474 0.355 19579 4076 1 7 . 1 1 10 10 THR CB C 10 69.881 69.881 69.006 0.875 19579 4077 1 7 . 1 1 10 10 THR H H 10 8.012 8.012 8.061 -0.049 19579 4078 1 7 . 1 1 11 11 SER N N 11 117.904 117.904 119.573 -1.669 19579 4079 1 7 . 1 1 11 11 SER HA H 11 4.414 4.414 4.513 -0.099 19579 4080 1 7 . 1 1 11 11 SER C C 11 174.335 174.335 173.973 0.362 19579 4081 1 7 . 1 1 11 11 SER CA C 11 58.363 58.363 58.303 0.060 19579 4082 1 7 . 1 1 11 11 SER CB C 11 63.911 63.911 61.818 2.093 19579 4083 1 7 . 1 1 11 11 SER H H 11 8.342 8.342 8.087 0.255 19579 4084 1 7 . 1 1 12 12 ALA N N 12 126.003 126.003 128.529 -2.526 19579 4085 1 7 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.562 -0.324 19579 4086 1 7 . 1 1 12 12 ALA C C 12 177.468 177.468 175.733 1.735 19579 4087 1 7 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.239 0.533 19579 4088 1 7 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.663 -0.575 19579 4089 1 7 . 1 1 12 12 ALA H H 12 8.274 8.274 7.745 0.529 19579 4090 1 7 . 1 1 13 13 ALA N N 13 122.954 122.954 125.788 -2.834 19579 4091 1 7 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.628 -0.403 19579 4092 1 7 . 1 1 13 13 ALA C C 13 178.207 178.207 176.125 2.082 19579 4093 1 7 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.070 0.509 19579 4094 1 7 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.791 -1.500 19579 4095 1 7 . 1 1 13 13 ALA H H 13 8.121 8.121 8.061 0.060 19579 4096 1 7 . 1 1 14 14 ALA N N 14 123.733 123.733 124.206 -0.473 19579 4097 1 7 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.530 -0.273 19579 4098 1 7 . 1 1 14 14 ALA C C 14 178.227 178.227 176.445 1.782 19579 4099 1 7 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.564 0.185 19579 4100 1 7 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.096 -0.820 19579 4101 1 7 . 1 1 14 14 ALA H H 14 8.262 8.262 8.186 0.076 19579 4102 1 7 . 1 1 15 15 GLY N N 15 108.014 108.014 110.010 -1.996 19579 4103 1 7 . 1 1 15 15 GLY C C 15 173.849 173.849 173.349 0.500 19579 4104 1 7 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.668 -0.357 19579 4105 1 7 . 1 1 15 15 GLY H H 15 8.239 8.239 8.258 -0.019 19579 4106 1 7 . 1 1 16 16 ALA N N 16 123.529 123.529 125.009 -1.480 19579 4107 1 7 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.450 -0.152 19579 4108 1 7 . 1 1 16 16 ALA C C 16 178.108 178.108 177.424 0.684 19579 4109 1 7 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.651 1.060 19579 4110 1 7 . 1 1 16 16 ALA CB C 16 19.316 19.316 19.811 -0.495 19579 4111 1 7 . 1 1 16 16 ALA H H 16 8.102 8.102 8.248 -0.146 19579 4112 1 7 . 1 1 17 17 GLY N N 17 108.099 108.099 109.804 -1.705 19579 4113 1 7 . 1 1 17 17 GLY C C 17 174.081 174.081 174.135 -0.054 19579 4114 1 7 . 1 1 17 17 GLY CA C 17 45.235 45.235 44.884 0.351 19579 4115 1 7 . 1 1 17 17 GLY H H 17 8.356 8.356 8.656 -0.300 19579 4116 1 7 . 1 1 18 18 VAL N N 18 119.220 119.220 123.431 -4.211 19579 4117 1 7 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.055 0.012 19579 4118 1 7 . 1 1 18 18 VAL C C 18 175.946 175.946 176.283 -0.337 19579 4119 1 7 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.577 0.706 19579 4120 1 7 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.409 0.355 19579 4121 1 7 . 1 1 18 18 VAL H H 18 7.899 7.899 7.638 0.261 19579 4122 1 7 . 1 1 19 19 ALA N N 19 127.804 127.804 120.791 7.013 19579 4123 1 7 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.476 0.811 19579 4124 1 7 . 1 1 19 19 ALA C C 19 177.303 177.303 176.133 1.170 19579 4125 1 7 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.229 -0.769 19579 4126 1 7 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.535 1.764 19579 4127 1 7 . 1 1 19 19 ALA H H 19 8.377 8.377 7.882 0.495 19579 4128 1 7 . 1 1 20 20 ALA N N 20 123.602 123.602 121.639 1.963 19579 4129 1 7 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.428 -0.149 19579 4130 1 7 . 1 1 20 20 ALA C C 20 178.086 178.086 178.052 0.034 19579 4131 1 7 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.414 2.338 19579 4132 1 7 . 1 1 20 20 ALA CB C 20 19.315 19.315 18.626 0.689 19579 4133 1 7 . 1 1 20 20 ALA H H 20 8.261 8.261 7.869 0.392 19579 4134 1 7 . 1 1 21 21 GLY N N 21 108.033 108.033 114.848 -6.815 19579 4135 1 7 . 1 1 21 21 GLY C C 21 174.213 174.213 175.685 -1.472 19579 4136 1 7 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.551 -1.260 19579 4137 1 7 . 1 1 21 21 GLY H H 21 8.323 8.323 8.647 -0.324 19579 4138 1 7 . 1 1 22 22 SER N N 22 115.596 115.596 122.529 -6.933 19579 4139 1 7 . 1 1 22 22 SER HA H 22 4.369 4.369 4.641 -0.272 19579 4140 1 7 . 1 1 22 22 SER C C 22 175.328 175.328 173.739 1.589 19579 4141 1 7 . 1 1 22 22 SER CA C 22 58.686 58.686 57.804 0.882 19579 4142 1 7 . 1 1 22 22 SER CB C 22 63.915 63.915 62.556 1.359 19579 4143 1 7 . 1 1 22 22 SER H H 22 8.118 8.118 8.221 -0.103 19579 4144 1 7 . 1 1 23 23 TYR N N 23 121.490 121.490 119.815 1.675 19579 4145 1 7 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.858 -0.089 19579 4146 1 7 . 1 1 23 23 TYR C C 23 175.890 175.890 174.625 1.265 19579 4147 1 7 . 1 1 23 23 TYR CA C 23 57.724 57.724 55.534 2.190 19579 4148 1 7 . 1 1 23 23 TYR CB C 23 37.863 37.863 36.436 1.427 19579 4149 1 7 . 1 1 23 23 TYR H H 23 8.620 8.620 7.390 1.230 19579 4150 1 7 . 1 1 24 24 ALA N N 24 121.940 121.940 126.021 -4.081 19579 4151 1 7 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.578 -0.697 19579 4152 1 7 . 1 1 24 24 ALA C C 24 179.366 179.366 178.211 1.155 19579 4153 1 7 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.706 3.688 19579 4154 1 7 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.978 -1.438 19579 4155 1 7 . 1 1 24 24 ALA H H 24 8.127 8.127 7.888 0.239 19579 4156 1 7 . 1 1 25 25 GLY N N 25 106.527 106.527 107.532 -1.005 19579 4157 1 7 . 1 1 25 25 GLY C C 25 175.074 175.074 175.229 -0.155 19579 4158 1 7 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.862 0.335 19579 4159 1 7 . 1 1 25 25 GLY H H 25 8.647 8.647 8.001 0.646 19579 4160 1 7 . 1 1 26 26 ALA N N 26 122.752 122.752 123.230 -0.478 19579 4161 1 7 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.272 -0.245 19579 4162 1 7 . 1 1 26 26 ALA C C 26 177.490 177.490 178.902 -1.412 19579 4163 1 7 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.896 -0.360 19579 4164 1 7 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.316 0.660 19579 4165 1 7 . 1 1 26 26 ALA H H 26 7.552 7.552 8.340 -0.788 19579 4166 1 7 . 1 1 27 27 VAL N N 27 113.110 113.110 114.636 -1.526 19579 4167 1 7 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.889 -0.428 19579 4168 1 7 . 1 1 27 27 VAL C C 27 179.366 179.366 178.166 1.200 19579 4169 1 7 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.118 0.445 19579 4170 1 7 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.096 0.999 19579 4171 1 7 . 1 1 27 27 VAL H H 27 7.283 7.283 7.381 -0.098 19579 4172 1 7 . 1 1 28 28 ASN N N 28 119.671 119.671 119.911 -0.240 19579 4173 1 7 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.478 -0.123 19579 4174 1 7 . 1 1 28 28 ASN C C 28 177.667 177.667 177.920 -0.253 19579 4175 1 7 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.988 0.103 19579 4176 1 7 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.794 0.526 19579 4177 1 7 . 1 1 28 28 ASN H H 28 8.374 8.374 8.085 0.289 19579 4178 1 7 . 1 1 29 29 ARG N N 29 116.957 116.957 120.695 -3.738 19579 4179 1 7 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.107 0.011 19579 4180 1 7 . 1 1 29 29 ARG C C 29 177.457 177.457 177.992 -0.535 19579 4181 1 7 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.239 0.456 19579 4182 1 7 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.813 0.324 19579 4183 1 7 . 1 1 29 29 ARG H H 29 7.860 7.860 7.994 -0.134 19579 4184 1 7 . 1 1 30 30 LEU N N 30 121.060 121.060 118.736 2.324 19579 4185 1 7 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.157 -0.203 19579 4186 1 7 . 1 1 30 30 LEU C C 30 174.975 174.975 177.480 -2.505 19579 4187 1 7 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.734 0.488 19579 4188 1 7 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.851 -0.893 19579 4189 1 7 . 1 1 30 30 LEU H H 30 7.524 7.524 7.665 -0.141 19579 4190 1 7 . 1 1 31 31 SER N N 31 106.764 106.764 111.323 -4.559 19579 4191 1 7 . 1 1 31 31 SER HA H 31 4.523 4.523 4.435 0.088 19579 4192 1 7 . 1 1 31 31 SER C C 31 174.666 174.666 174.109 0.557 19579 4193 1 7 . 1 1 31 31 SER CA C 31 57.680 57.680 58.277 -0.597 19579 4194 1 7 . 1 1 31 31 SER CB C 31 63.290 63.290 63.018 0.272 19579 4195 1 7 . 1 1 31 31 SER H H 31 7.046 7.046 7.572 -0.526 19579 4196 1 7 . 1 1 32 32 SER N N 32 117.235 117.235 116.935 0.300 19579 4197 1 7 . 1 1 32 32 SER HA H 32 4.383 4.383 4.606 -0.223 19579 4198 1 7 . 1 1 32 32 SER C C 32 174.677 174.677 175.003 -0.326 19579 4199 1 7 . 1 1 32 32 SER CA C 32 58.027 58.027 56.728 1.299 19579 4200 1 7 . 1 1 32 32 SER CB C 32 66.069 66.069 64.494 1.575 19579 4201 1 7 . 1 1 32 32 SER H H 32 7.721 7.721 7.415 0.306 19579 4202 1 7 . 1 1 33 33 ALA N N 33 126.048 126.048 128.763 -2.715 19579 4203 1 7 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.040 0.058 19579 4204 1 7 . 1 1 33 33 ALA C C 33 180.822 180.822 179.438 1.384 19579 4205 1 7 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.612 0.129 19579 4206 1 7 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.753 -0.724 19579 4207 1 7 . 1 1 33 33 ALA H H 33 8.980 8.980 8.958 0.022 19579 4208 1 7 . 1 1 34 34 GLU N N 34 117.978 117.978 119.546 -1.568 19579 4209 1 7 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.892 0.043 19579 4210 1 7 . 1 1 34 34 GLU C C 34 178.560 178.560 178.648 -0.088 19579 4211 1 7 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.279 1.095 19579 4212 1 7 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.166 -0.353 19579 4213 1 7 . 1 1 34 34 GLU H H 34 8.993 8.993 7.771 1.222 19579 4214 1 7 . 1 1 35 35 ALA N N 35 123.748 123.748 121.846 1.902 19579 4215 1 7 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.199 -0.148 19579 4216 1 7 . 1 1 35 35 ALA C C 35 179.101 179.101 179.515 -0.414 19579 4217 1 7 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.821 0.598 19579 4218 1 7 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.204 1.080 19579 4219 1 7 . 1 1 35 35 ALA H H 35 7.443 7.443 7.783 -0.340 19579 4220 1 7 . 1 1 36 36 ALA N N 36 118.503 118.503 120.494 -1.991 19579 4221 1 7 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.974 -0.219 19579 4222 1 7 . 1 1 36 36 ALA C C 36 180.745 180.745 179.566 1.179 19579 4223 1 7 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.071 0.470 19579 4224 1 7 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.062 -1.036 19579 4225 1 7 . 1 1 36 36 ALA H H 36 7.484 7.484 7.839 -0.355 19579 4226 1 7 . 1 1 37 37 SER N N 37 114.688 114.688 113.881 0.807 19579 4227 1 7 . 1 1 37 37 SER HA H 37 4.170 4.170 4.346 -0.176 19579 4228 1 7 . 1 1 37 37 SER C C 37 177.214 177.214 176.851 0.363 19579 4229 1 7 . 1 1 37 37 SER CA C 37 61.628 61.628 60.354 1.274 19579 4230 1 7 . 1 1 37 37 SER CB C 37 62.653 62.653 63.010 -0.357 19579 4231 1 7 . 1 1 37 37 SER H H 37 8.178 8.178 8.034 0.144 19579 4232 1 7 . 1 1 38 38 ARG N N 38 123.817 123.817 121.171 2.646 19579 4233 1 7 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.122 -0.118 19579 4234 1 7 . 1 1 38 38 ARG C C 38 179.564 179.564 178.390 1.174 19579 4235 1 7 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.048 1.609 19579 4236 1 7 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.425 1.388 19579 4237 1 7 . 1 1 38 38 ARG H H 38 7.882 7.882 7.568 0.314 19579 4238 1 7 . 1 1 39 39 VAL N N 39 120.446 120.446 119.110 1.336 19579 4239 1 7 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.657 -0.328 19579 4240 1 7 . 1 1 39 39 VAL C C 39 178.505 178.505 177.469 1.036 19579 4241 1 7 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.366 1.828 19579 4242 1 7 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.897 -0.327 19579 4243 1 7 . 1 1 39 39 VAL H H 39 8.543 8.543 8.137 0.406 19579 4244 1 7 . 1 1 40 40 SER N N 40 114.009 114.009 114.200 -0.191 19579 4245 1 7 . 1 1 40 40 SER HA H 40 4.080 4.080 3.993 0.087 19579 4246 1 7 . 1 1 40 40 SER C C 40 176.340 176.340 176.617 -0.277 19579 4247 1 7 . 1 1 40 40 SER CA C 40 62.940 62.940 61.894 1.046 19579 4248 1 7 . 1 1 40 40 SER CB C 40 62.953 62.953 62.714 0.239 19579 4249 1 7 . 1 1 40 40 SER H H 40 8.602 8.602 8.577 0.025 19579 4250 1 7 . 1 1 41 41 SER N N 41 114.648 114.648 114.874 -0.226 19579 4251 1 7 . 1 1 41 41 SER HA H 41 4.333 4.333 4.430 -0.097 19579 4252 1 7 . 1 1 41 41 SER C C 41 174.390 174.390 174.962 -0.572 19579 4253 1 7 . 1 1 41 41 SER CA C 41 60.828 60.828 59.141 1.687 19579 4254 1 7 . 1 1 41 41 SER CB C 41 63.563 63.563 63.102 0.461 19579 4255 1 7 . 1 1 41 41 SER H H 41 8.003 8.003 7.662 0.341 19579 4256 1 7 . 1 1 42 42 ASN N N 42 117.849 117.849 119.332 -1.483 19579 4257 1 7 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.795 0.169 19579 4258 1 7 . 1 1 42 42 ASN C C 42 174.677 174.677 177.435 -2.758 19579 4259 1 7 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.367 0.996 19579 4260 1 7 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.559 1.707 19579 4261 1 7 . 1 1 42 42 ASN H H 42 7.600 7.600 7.905 -0.305 19579 4262 1 7 . 1 1 43 43 ILE N N 43 116.952 116.952 118.577 -1.625 19579 4263 1 7 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.795 -0.124 19579 4264 1 7 . 1 1 43 43 ILE C C 43 176.773 176.773 176.612 0.161 19579 4265 1 7 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.317 -0.090 19579 4266 1 7 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.128 0.282 19579 4267 1 7 . 1 1 43 43 ILE H H 43 7.336 7.336 8.664 -1.328 19579 4268 1 7 . 1 1 44 44 ALA N N 44 122.396 122.396 121.923 0.473 19579 4269 1 7 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.036 -0.000 19579 4270 1 7 . 1 1 44 44 ALA C C 44 180.304 180.304 178.575 1.729 19579 4271 1 7 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.471 0.916 19579 4272 1 7 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.134 -0.646 19579 4273 1 7 . 1 1 44 44 ALA H H 44 8.617 8.617 8.277 0.340 19579 4274 1 7 . 1 1 45 45 ALA N N 45 120.804 120.804 120.906 -0.102 19579 4275 1 7 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.195 -0.142 19579 4276 1 7 . 1 1 45 45 ALA C C 45 180.591 180.591 179.805 0.786 19579 4277 1 7 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.988 0.764 19579 4278 1 7 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.423 -0.806 19579 4279 1 7 . 1 1 45 45 ALA H H 45 7.913 7.913 7.637 0.276 19579 4280 1 7 . 1 1 46 46 ILE N N 46 117.637 117.637 119.915 -2.278 19579 4281 1 7 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.848 -0.220 19579 4282 1 7 . 1 1 46 46 ILE C C 46 177.612 177.612 178.450 -0.838 19579 4283 1 7 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.607 -1.328 19579 4284 1 7 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.808 -0.148 19579 4285 1 7 . 1 1 46 46 ILE H H 46 7.313 7.313 7.583 -0.270 19579 4286 1 7 . 1 1 47 47 ALA N N 47 121.493 121.493 121.827 -0.334 19579 4287 1 7 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.170 -0.226 19579 4288 1 7 . 1 1 47 47 ALA C C 47 178.538 178.538 178.235 0.303 19579 4289 1 7 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.344 1.043 19579 4290 1 7 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.301 0.678 19579 4291 1 7 . 1 1 47 47 ALA H H 47 8.413 8.413 8.387 0.026 19579 4292 1 7 . 1 1 48 48 SER N N 48 109.024 109.024 112.707 -3.683 19579 4293 1 7 . 1 1 48 48 SER HA H 48 4.352 4.352 4.607 -0.255 19579 4294 1 7 . 1 1 48 48 SER C C 48 176.056 176.056 174.461 1.595 19579 4295 1 7 . 1 1 48 48 SER CA C 48 59.977 59.977 58.735 1.242 19579 4296 1 7 . 1 1 48 48 SER CB C 48 63.838 63.838 64.210 -0.372 19579 4297 1 7 . 1 1 48 48 SER H H 48 8.030 8.030 7.608 0.422 19579 4298 1 7 . 1 1 49 49 GLY N N 49 108.121 108.121 107.508 0.613 19579 4299 1 7 . 1 1 49 49 GLY C C 49 174.820 174.820 174.488 0.332 19579 4300 1 7 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.493 -0.300 19579 4301 1 7 . 1 1 49 49 GLY H H 49 8.048 8.048 7.558 0.490 19579 4302 1 7 . 1 1 50 50 GLY N N 50 111.955 111.955 110.391 1.564 19579 4303 1 7 . 1 1 50 50 GLY C C 50 174.975 174.975 173.999 0.976 19579 4304 1 7 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.192 -0.010 19579 4305 1 7 . 1 1 50 50 GLY H H 50 8.409 8.409 7.993 0.416 19579 4306 1 7 . 1 1 51 51 ALA N N 51 126.247 126.247 123.723 2.524 19579 4307 1 7 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.554 -0.735 19579 4308 1 7 . 1 1 51 51 ALA C C 51 179.697 179.697 179.643 0.054 19579 4309 1 7 . 1 1 51 51 ALA CA C 51 55.060 55.060 53.302 1.758 19579 4310 1 7 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.610 -1.331 19579 4311 1 7 . 1 1 51 51 ALA H H 51 9.119 9.119 7.694 1.425 19579 4312 1 7 . 1 1 52 52 SER N N 52 111.975 111.975 115.250 -3.275 19579 4313 1 7 . 1 1 52 52 SER HA H 52 4.222 4.222 4.205 0.017 19579 4314 1 7 . 1 1 52 52 SER C C 52 174.983 174.983 175.134 -0.151 19579 4315 1 7 . 1 1 52 52 SER CA C 52 60.814 60.814 60.616 0.198 19579 4316 1 7 . 1 1 52 52 SER CB C 52 62.977 62.977 62.874 0.103 19579 4317 1 7 . 1 1 52 52 SER H H 52 8.231 8.231 8.794 -0.564 19579 4318 1 7 . 1 1 53 53 ALA N N 53 122.484 122.484 122.231 0.253 19579 4319 1 7 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.408 -0.006 19579 4320 1 7 . 1 1 53 53 ALA C C 53 177.391 177.391 179.234 -1.843 19579 4321 1 7 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.832 -0.705 19579 4322 1 7 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.822 1.124 19579 4323 1 7 . 1 1 53 53 ALA H H 53 7.602 7.602 8.051 -0.449 19579 4324 1 7 . 1 1 54 54 LEU N N 54 117.414 117.414 120.795 -3.381 19579 4325 1 7 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.044 -0.165 19579 4326 1 7 . 1 1 54 54 LEU C C 54 174.434 174.434 176.034 -1.600 19579 4327 1 7 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.532 -0.217 19579 4328 1 7 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.590 0.030 19579 4329 1 7 . 1 1 54 54 LEU H H 54 7.408 7.408 7.641 -0.233 19579 4330 1 7 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.335 -0.144 19579 4331 1 7 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.032 1.902 19579 4332 1 7 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.124 -0.074 19579 4333 1 7 . 1 1 56 56 SER N N 56 113.559 113.559 112.286 1.273 19579 4334 1 7 . 1 1 56 56 SER HA H 56 4.234 4.234 4.654 -0.420 19579 4335 1 7 . 1 1 56 56 SER C C 56 176.552 176.552 174.108 2.444 19579 4336 1 7 . 1 1 56 56 SER CA C 56 61.233 61.233 59.369 1.864 19579 4337 1 7 . 1 1 56 56 SER CB C 56 62.733 62.733 63.688 -0.955 19579 4338 1 7 . 1 1 56 56 SER H H 56 7.834 7.834 7.682 0.152 19579 4339 1 7 . 1 1 57 57 VAL N N 57 123.292 123.292 118.408 4.884 19579 4340 1 7 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.439 -0.696 19579 4341 1 7 . 1 1 57 57 VAL C C 57 178.042 178.042 176.061 1.981 19579 4342 1 7 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.383 3.077 19579 4343 1 7 . 1 1 57 57 VAL CB C 57 31.768 31.768 34.310 -2.542 19579 4344 1 7 . 1 1 57 57 VAL H H 57 8.263 8.263 7.539 0.724 19579 4345 1 7 . 1 1 58 58 ILE N N 58 118.510 118.510 120.956 -2.446 19579 4346 1 7 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.747 -0.063 19579 4347 1 7 . 1 1 58 58 ILE C C 58 176.221 176.221 178.277 -2.056 19579 4348 1 7 . 1 1 58 58 ILE CA C 58 65.082 65.082 65.958 -0.876 19579 4349 1 7 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.886 -0.537 19579 4350 1 7 . 1 1 58 58 ILE H H 58 8.873 8.873 8.588 0.285 19579 4351 1 7 . 1 1 59 59 SER N N 59 114.238 114.238 114.429 -0.191 19579 4352 1 7 . 1 1 59 59 SER HA H 59 4.305 4.305 4.384 -0.079 19579 4353 1 7 . 1 1 59 59 SER C C 59 177.534 177.534 176.176 1.358 19579 4354 1 7 . 1 1 59 59 SER CA C 59 61.586 61.586 61.033 0.553 19579 4355 1 7 . 1 1 59 59 SER CB C 59 62.951 62.951 63.199 -0.248 19579 4356 1 7 . 1 1 59 59 SER H H 59 7.388 7.388 8.497 -1.109 19579 4357 1 7 . 1 1 60 60 ASN N N 60 120.810 120.810 121.922 -1.112 19579 4358 1 7 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.766 -0.406 19579 4359 1 7 . 1 1 60 60 ASN C C 60 178.616 178.616 177.883 0.733 19579 4360 1 7 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.559 1.156 19579 4361 1 7 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.615 0.381 19579 4362 1 7 . 1 1 60 60 ASN H H 60 8.147 8.147 7.690 0.457 19579 4363 1 7 . 1 1 61 61 ILE N N 61 121.116 121.116 121.327 -0.211 19579 4364 1 7 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.658 -0.137 19579 4365 1 7 . 1 1 61 61 ILE C C 61 176.972 176.972 177.731 -0.759 19579 4366 1 7 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.611 0.951 19579 4367 1 7 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.049 0.957 19579 4368 1 7 . 1 1 61 61 ILE H H 61 8.642 8.642 8.073 0.569 19579 4369 1 7 . 1 1 62 62 TYR N N 62 119.953 119.953 120.683 -0.730 19579 4370 1 7 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.011 -0.388 19579 4371 1 7 . 1 1 62 62 TYR C C 62 176.828 176.828 177.564 -0.736 19579 4372 1 7 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.525 0.558 19579 4373 1 7 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.184 0.791 19579 4374 1 7 . 1 1 62 62 TYR H H 62 9.192 9.192 7.899 1.293 19579 4375 1 7 . 1 1 63 63 SER N N 63 111.464 111.464 115.496 -4.032 19579 4376 1 7 . 1 1 63 63 SER HA H 63 4.035 4.035 4.090 -0.055 19579 4377 1 7 . 1 1 63 63 SER C C 63 177.325 177.325 176.882 0.443 19579 4378 1 7 . 1 1 63 63 SER CA C 63 62.027 62.027 62.758 -0.730 19579 4379 1 7 . 1 1 63 63 SER CB C 63 62.565 62.565 62.472 0.093 19579 4380 1 7 . 1 1 63 63 SER H H 63 8.320 8.320 8.548 -0.228 19579 4381 1 7 . 1 1 64 64 GLY N N 64 110.383 110.383 109.484 0.899 19579 4382 1 7 . 1 1 64 64 GLY C C 64 175.581 175.581 175.299 0.282 19579 4383 1 7 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.810 0.504 19579 4384 1 7 . 1 1 64 64 GLY H H 64 7.724 7.724 7.843 -0.119 19579 4385 1 7 . 1 1 65 65 VAL N N 65 124.665 124.665 121.303 3.362 19579 4386 1 7 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.630 -0.386 19579 4387 1 7 . 1 1 65 65 VAL C C 65 180.072 180.072 177.447 2.625 19579 4388 1 7 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.690 1.314 19579 4389 1 7 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.992 -0.284 19579 4390 1 7 . 1 1 65 65 VAL H H 65 8.584 8.584 7.319 1.265 19579 4391 1 7 . 1 1 66 66 VAL N N 66 120.803 120.803 118.636 2.167 19579 4392 1 7 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.474 0.249 19579 4393 1 7 . 1 1 66 66 VAL C C 66 179.829 179.829 177.425 2.404 19579 4394 1 7 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.783 0.432 19579 4395 1 7 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.573 0.182 19579 4396 1 7 . 1 1 66 66 VAL H H 66 8.305 8.305 7.818 0.487 19579 4397 1 7 . 1 1 67 67 ALA N N 67 123.266 123.266 120.085 3.181 19579 4398 1 7 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.176 -0.012 19579 4399 1 7 . 1 1 67 67 ALA C C 67 178.560 178.560 178.735 -0.175 19579 4400 1 7 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.164 0.260 19579 4401 1 7 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.499 -0.488 19579 4402 1 7 . 1 1 67 67 ALA H H 67 7.979 7.979 7.916 0.063 19579 4403 1 7 . 1 1 68 68 SER N N 68 112.669 112.669 114.340 -1.671 19579 4404 1 7 . 1 1 68 68 SER HA H 68 4.436 4.436 4.384 0.052 19579 4405 1 7 . 1 1 68 68 SER C C 68 174.555 174.555 175.125 -0.570 19579 4406 1 7 . 1 1 68 68 SER CA C 68 59.634 59.634 58.647 0.987 19579 4407 1 7 . 1 1 68 68 SER CB C 68 63.943 63.943 63.747 0.196 19579 4408 1 7 . 1 1 68 68 SER H H 68 7.674 7.674 7.666 0.008 19579 4409 1 7 . 1 1 69 69 GLY N N 69 109.146 109.146 109.368 -0.222 19579 4410 1 7 . 1 1 69 69 GLY C C 69 173.904 173.904 173.837 0.067 19579 4411 1 7 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.794 0.437 19579 4412 1 7 . 1 1 69 69 GLY H H 69 7.939 7.939 7.552 0.387 19579 4413 1 7 . 1 1 70 70 VAL N N 70 119.926 119.926 118.828 1.098 19579 4414 1 7 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.230 -0.320 19579 4415 1 7 . 1 1 70 70 VAL C C 70 174.997 174.997 175.192 -0.195 19579 4416 1 7 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.083 1.201 19579 4417 1 7 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.750 -1.326 19579 4418 1 7 . 1 1 70 70 VAL H H 70 6.723 6.723 7.547 -0.824 19579 4419 1 7 . 1 1 71 71 SER N N 71 120.581 120.581 118.860 1.721 19579 4420 1 7 . 1 1 71 71 SER HA H 71 4.386 4.386 4.452 -0.066 19579 4421 1 7 . 1 1 71 71 SER C C 71 175.559 175.559 175.512 0.047 19579 4422 1 7 . 1 1 71 71 SER CA C 71 58.441 58.441 58.465 -0.024 19579 4423 1 7 . 1 1 71 71 SER CB C 71 64.632 64.632 63.924 0.708 19579 4424 1 7 . 1 1 71 71 SER H H 71 8.577 8.577 8.323 0.254 19579 4425 1 7 . 1 1 72 72 SER N N 72 117.898 117.898 118.892 -0.994 19579 4426 1 7 . 1 1 72 72 SER HA H 72 4.083 4.083 4.045 0.038 19579 4427 1 7 . 1 1 72 72 SER C C 72 176.255 176.255 176.504 -0.249 19579 4428 1 7 . 1 1 72 72 SER CA C 72 61.586 61.586 62.273 -0.687 19579 4429 1 7 . 1 1 72 72 SER CB C 72 62.622 62.622 63.112 -0.490 19579 4430 1 7 . 1 1 72 72 SER H H 72 8.889 8.889 8.736 0.153 19579 4431 1 7 . 1 1 73 73 ASN N N 73 118.976 118.976 118.909 0.067 19579 4432 1 7 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.473 0.184 19579 4433 1 7 . 1 1 73 73 ASN C C 73 176.506 176.506 177.364 -0.858 19579 4434 1 7 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.414 0.647 19579 4435 1 7 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.324 -0.324 19579 4436 1 7 . 1 1 73 73 ASN H H 73 8.519 8.519 8.458 0.061 19579 4437 1 7 . 1 1 74 74 GLU N N 74 118.543 118.543 118.363 0.180 19579 4438 1 7 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.164 -0.054 19579 4439 1 7 . 1 1 74 74 GLU C C 74 176.994 176.994 178.125 -1.131 19579 4440 1 7 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.491 -0.465 19579 4441 1 7 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.393 1.970 19579 4442 1 7 . 1 1 74 74 GLU H H 74 7.768 7.768 8.376 -0.608 19579 4443 1 7 . 1 1 75 75 ALA N N 75 121.901 121.901 123.975 -2.074 19579 4444 1 7 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.947 -0.257 19579 4445 1 7 . 1 1 75 75 ALA C C 75 178.318 178.318 179.162 -0.844 19579 4446 1 7 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.392 -0.164 19579 4447 1 7 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.310 0.331 19579 4448 1 7 . 1 1 75 75 ALA H H 75 8.069 8.069 8.163 -0.094 19579 4449 1 7 . 1 1 76 76 LEU N N 76 117.360 117.360 119.302 -1.942 19579 4450 1 7 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.248 -0.138 19579 4451 1 7 . 1 1 76 76 LEU C C 76 177.854 177.854 178.662 -0.808 19579 4452 1 7 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.676 0.338 19579 4453 1 7 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.226 -1.458 19579 4454 1 7 . 1 1 76 76 LEU H H 76 8.121 8.121 7.422 0.699 19579 4455 1 7 . 1 1 77 77 ILE N N 77 116.714 116.714 119.593 -2.879 19579 4456 1 7 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.622 -0.170 19579 4457 1 7 . 1 1 77 77 ILE C C 77 176.883 176.883 178.145 -1.262 19579 4458 1 7 . 1 1 77 77 ILE CA C 77 64.258 64.258 65.027 -0.769 19579 4459 1 7 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.928 -0.186 19579 4460 1 7 . 1 1 77 77 ILE H H 77 7.607 7.607 7.450 0.157 19579 4461 1 7 . 1 1 78 78 GLN N N 78 119.338 119.338 119.645 -0.307 19579 4462 1 7 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.922 -0.290 19579 4463 1 7 . 1 1 78 78 GLN C C 78 177.521 177.521 177.987 -0.466 19579 4464 1 7 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.126 1.194 19579 4465 1 7 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.080 0.095 19579 4466 1 7 . 1 1 78 78 GLN H H 78 8.119 8.119 8.784 -0.665 19579 4467 1 7 . 1 1 79 79 ALA N N 79 119.218 119.218 121.956 -2.738 19579 4468 1 7 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.024 -0.152 19579 4469 1 7 . 1 1 79 79 ALA C C 79 179.311 179.311 179.659 -0.348 19579 4470 1 7 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.096 -0.271 19579 4471 1 7 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.333 -0.514 19579 4472 1 7 . 1 1 79 79 ALA H H 79 8.639 8.639 7.478 1.161 19579 4473 1 7 . 1 1 80 80 LEU N N 80 116.262 116.262 119.522 -3.260 19579 4474 1 7 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.030 -0.131 19579 4475 1 7 . 1 1 80 80 LEU C C 80 178.914 178.914 179.181 -0.267 19579 4476 1 7 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.560 0.451 19579 4477 1 7 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.228 0.387 19579 4478 1 7 . 1 1 80 80 LEU H H 80 8.450 8.450 7.825 0.625 19579 4479 1 7 . 1 1 81 81 LEU N N 81 118.995 118.995 119.020 -0.025 19579 4480 1 7 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.903 0.069 19579 4481 1 7 . 1 1 81 81 LEU C C 81 180.127 180.127 178.681 1.446 19579 4482 1 7 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.132 -0.149 19579 4483 1 7 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.341 1.202 19579 4484 1 7 . 1 1 81 81 LEU H H 81 8.151 8.151 8.369 -0.218 19579 4485 1 7 . 1 1 82 82 GLU N N 82 124.890 124.890 117.340 7.550 19579 4486 1 7 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.101 -0.468 19579 4487 1 7 . 1 1 82 82 GLU C C 82 178.505 178.505 179.260 -0.755 19579 4488 1 7 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.842 2.458 19579 4489 1 7 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.932 -0.153 19579 4490 1 7 . 1 1 82 82 GLU H H 82 8.659 8.659 7.719 0.940 19579 4491 1 7 . 1 1 83 83 LEU N N 83 121.487 121.487 121.324 0.163 19579 4492 1 7 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.135 -0.315 19579 4493 1 7 . 1 1 83 83 LEU C C 83 178.163 178.163 178.736 -0.573 19579 4494 1 7 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.938 0.217 19579 4495 1 7 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.512 0.122 19579 4496 1 7 . 1 1 83 83 LEU H H 83 8.658 8.658 8.456 0.202 19579 4497 1 7 . 1 1 84 84 LEU N N 84 118.904 118.904 117.159 1.745 19579 4498 1 7 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.270 -0.484 19579 4499 1 7 . 1 1 84 84 LEU C C 84 178.064 178.064 177.846 0.218 19579 4500 1 7 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.153 2.510 19579 4501 1 7 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.383 1.822 19579 4502 1 7 . 1 1 84 84 LEU H H 84 8.803 8.803 8.143 0.660 19579 4503 1 7 . 1 1 85 85 SER N N 85 114.347 114.347 115.462 -1.115 19579 4504 1 7 . 1 1 85 85 SER HA H 85 4.211 4.211 4.517 -0.306 19579 4505 1 7 . 1 1 85 85 SER C C 85 174.633 174.633 175.457 -0.824 19579 4506 1 7 . 1 1 85 85 SER CA C 85 62.957 62.957 59.694 3.263 19579 4507 1 7 . 1 1 85 85 SER CB C 85 62.947 62.947 64.221 -1.274 19579 4508 1 7 . 1 1 85 85 SER H H 85 7.879 7.879 7.646 0.233 19579 4509 1 7 . 1 1 86 86 ALA N N 86 124.206 124.206 125.749 -1.543 19579 4510 1 7 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.045 -0.275 19579 4511 1 7 . 1 1 86 86 ALA C C 86 178.538 178.538 179.086 -0.548 19579 4512 1 7 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.598 -0.232 19579 4513 1 7 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.469 -1.125 19579 4514 1 7 . 1 1 86 86 ALA H H 86 8.199 8.199 8.126 0.073 19579 4515 1 7 . 1 1 87 87 LEU N N 87 116.463 116.463 114.487 1.976 19579 4516 1 7 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.245 -0.424 19579 4517 1 7 . 1 1 87 87 LEU C C 87 178.709 178.709 178.339 0.370 19579 4518 1 7 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.218 1.136 19579 4519 1 7 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.616 1.978 19579 4520 1 7 . 1 1 87 87 LEU H H 87 8.140 8.140 7.521 0.619 19579 4521 1 7 . 1 1 88 88 VAL N N 88 118.854 118.854 120.380 -1.526 19579 4522 1 7 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.629 -0.226 19579 4523 1 7 . 1 1 88 88 VAL C C 88 177.766 177.766 177.840 -0.074 19579 4524 1 7 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.406 0.259 19579 4525 1 7 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.505 -0.058 19579 4526 1 7 . 1 1 88 88 VAL H H 88 8.716 8.716 7.179 1.537 19579 4527 1 7 . 1 1 89 89 HIS N N 89 121.227 121.227 119.865 1.362 19579 4528 1 7 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.252 -0.213 19579 4529 1 7 . 1 1 89 89 HIS C C 89 178.880 178.880 177.330 1.550 19579 4530 1 7 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.192 1.130 19579 4531 1 7 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.282 1.466 19579 4532 1 7 . 1 1 89 89 HIS H H 89 8.664 8.664 7.960 0.704 19579 4533 1 7 . 1 1 90 90 VAL N N 90 118.094 118.094 117.176 0.918 19579 4534 1 7 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.941 -0.374 19579 4535 1 7 . 1 1 90 90 VAL C C 90 177.733 177.733 177.482 0.251 19579 4536 1 7 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.628 1.202 19579 4537 1 7 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.469 0.131 19579 4538 1 7 . 1 1 90 90 VAL H H 90 7.994 7.994 7.603 0.391 19579 4539 1 7 . 1 1 91 91 LEU N N 91 119.672 119.672 119.710 -0.038 19579 4540 1 7 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.128 -0.296 19579 4541 1 7 . 1 1 91 91 LEU C C 91 178.869 178.869 178.997 -0.128 19579 4542 1 7 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.794 -0.036 19579 4543 1 7 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.364 1.575 19579 4544 1 7 . 1 1 91 91 LEU H H 91 8.393 8.393 7.418 0.975 19579 4545 1 7 . 1 1 92 92 SER N N 92 113.554 113.554 113.790 -0.236 19579 4546 1 7 . 1 1 92 92 SER HA H 92 4.297 4.297 4.201 0.096 19579 4547 1 7 . 1 1 92 92 SER C C 92 174.500 174.500 175.642 -1.142 19579 4548 1 7 . 1 1 92 92 SER CA C 92 61.410 61.410 60.934 0.476 19579 4549 1 7 . 1 1 92 92 SER CB C 92 63.254 63.254 63.094 0.160 19579 4550 1 7 . 1 1 92 92 SER H H 92 7.900 7.900 7.776 0.124 19579 4551 1 7 . 1 1 93 93 SER N N 93 115.055 115.055 114.398 0.657 19579 4552 1 7 . 1 1 93 93 SER HA H 93 4.704 4.704 4.517 0.187 19579 4553 1 7 . 1 1 93 93 SER C C 93 173.044 173.044 175.461 -2.417 19579 4554 1 7 . 1 1 93 93 SER CA C 93 57.967 57.967 59.200 -1.233 19579 4555 1 7 . 1 1 93 93 SER CB C 93 64.574 64.574 63.542 1.032 19579 4556 1 7 . 1 1 93 93 SER H H 93 7.420 7.420 7.689 -0.269 19579 4557 1 7 . 1 1 94 94 ALA N N 94 124.504 124.504 125.124 -0.620 19579 4558 1 7 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.225 0.404 19579 4559 1 7 . 1 1 94 94 ALA C C 94 176.199 176.199 177.523 -1.324 19579 4560 1 7 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.534 -2.065 19579 4561 1 7 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.774 2.846 19579 4562 1 7 . 1 1 94 94 ALA H H 94 7.476 7.476 7.128 0.348 19579 4563 1 7 . 1 1 95 95 SER N N 95 115.739 115.739 111.735 4.004 19579 4564 1 7 . 1 1 95 95 SER HA H 95 4.758 4.758 4.092 0.666 19579 4565 1 7 . 1 1 95 95 SER C C 95 174.136 174.136 174.218 -0.082 19579 4566 1 7 . 1 1 95 95 SER CA C 95 57.343 57.343 58.851 -1.508 19579 4567 1 7 . 1 1 95 95 SER CB C 95 63.303 63.303 60.757 2.546 19579 4568 1 7 . 1 1 95 95 SER H H 95 8.483 8.483 7.840 0.643 19579 4569 1 7 . 1 1 96 96 ILE N N 96 128.288 128.288 120.955 7.333 19579 4570 1 7 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.042 -0.049 19579 4571 1 7 . 1 1 96 96 ILE C C 96 175.868 175.868 176.392 -0.524 19579 4572 1 7 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.237 -0.875 19579 4573 1 7 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.676 -0.063 19579 4574 1 7 . 1 1 96 96 ILE H H 96 8.869 8.869 8.010 0.859 19579 4575 1 7 . 1 1 97 97 GLY N N 97 115.495 115.495 116.601 -1.106 19579 4576 1 7 . 1 1 97 97 GLY C C 97 173.022 173.022 173.505 -0.483 19579 4577 1 7 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.501 0.369 19579 4578 1 7 . 1 1 97 97 GLY H H 97 8.272 8.272 8.278 -0.006 19579 4579 1 7 . 1 1 98 98 ASN N N 98 120.819 120.819 119.532 1.287 19579 4580 1 7 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.756 -0.108 19579 4581 1 7 . 1 1 98 98 ASN C C 98 174.809 174.809 174.883 -0.074 19579 4582 1 7 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.773 0.653 19579 4583 1 7 . 1 1 98 98 ASN CB C 98 38.665 38.665 38.825 -0.160 19579 4584 1 7 . 1 1 98 98 ASN H H 98 8.420 8.420 8.341 0.079 19579 4585 1 7 . 1 1 99 99 VAL N N 99 122.960 122.960 125.283 -2.323 19579 4586 1 7 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.168 0.006 19579 4587 1 7 . 1 1 99 99 VAL C C 99 174.500 174.500 176.127 -1.627 19579 4588 1 7 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.134 -0.766 19579 4589 1 7 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.443 0.963 19579 4590 1 7 . 1 1 99 99 VAL H H 99 8.292 8.292 8.308 -0.016 19579 4591 1 7 . 1 1 100 100 SER N N 100 120.723 120.723 119.677 1.046 19579 4592 1 7 . 1 1 100 100 SER HA H 100 4.756 4.756 4.585 0.171 19579 4593 1 7 . 1 1 100 100 SER C C 100 174.235 174.235 174.843 -0.608 19579 4594 1 7 . 1 1 100 100 SER CA C 100 56.687 56.687 57.420 -0.733 19579 4595 1 7 . 1 1 100 100 SER CB C 100 64.904 64.904 64.282 0.622 19579 4596 1 7 . 1 1 100 100 SER H H 100 8.644 8.644 8.485 0.159 19579 4597 1 7 . 1 1 101 101 SER N N 101 117.236 117.236 123.010 -5.774 19579 4598 1 7 . 1 1 101 101 SER HA H 101 4.130 4.130 4.586 -0.456 19579 4599 1 7 . 1 1 101 101 SER CA C 101 59.000 59.000 58.822 0.178 19579 4600 1 7 . 1 1 101 101 SER CB C 101 63.104 63.104 62.555 0.549 19579 4601 1 7 . 1 1 102 102 VAL N N 102 124.874 124.874 122.953 1.921 19579 4602 1 7 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.226 -0.405 19579 4603 1 7 . 1 1 102 102 VAL C C 102 177.545 177.545 175.521 2.024 19579 4604 1 7 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.922 2.660 19579 4605 1 7 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.157 -1.677 19579 4606 1 7 . 1 1 102 102 VAL H H 102 8.090 8.090 8.038 0.052 19579 4607 1 7 . 1 1 103 103 GLY N N 103 114.589 114.589 114.634 -0.045 19579 4608 1 7 . 1 1 103 103 GLY C C 103 176.387 176.387 174.608 1.779 19579 4609 1 7 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.102 0.584 19579 4610 1 7 . 1 1 103 103 GLY H H 103 9.051 9.051 8.401 0.650 19579 4611 1 7 . 1 1 104 104 VAL N N 104 121.976 121.976 120.964 1.012 19579 4612 1 7 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.740 -0.392 19579 4613 1 7 . 1 1 104 104 VAL C C 104 176.045 176.045 177.420 -1.375 19579 4614 1 7 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.142 1.747 19579 4615 1 7 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.904 -0.639 19579 4616 1 7 . 1 1 104 104 VAL H H 104 7.753 7.753 7.990 -0.237 19579 4617 1 7 . 1 1 105 105 ASP N N 105 117.868 117.868 119.127 -1.259 19579 4618 1 7 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.279 -0.128 19579 4619 1 7 . 1 1 105 105 ASP C C 105 178.406 178.406 177.970 0.436 19579 4620 1 7 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.865 -1.155 19579 4621 1 7 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.616 -1.964 19579 4622 1 7 . 1 1 105 105 ASP H H 105 8.719 8.719 8.751 -0.032 19579 4623 1 7 . 1 1 106 106 SER N N 106 117.500 117.500 112.824 4.676 19579 4624 1 7 . 1 1 106 106 SER HA H 106 4.306 4.306 4.249 0.057 19579 4625 1 7 . 1 1 106 106 SER C C 106 176.784 176.784 176.452 0.332 19579 4626 1 7 . 1 1 106 106 SER CA C 106 61.523 61.523 61.591 -0.068 19579 4627 1 7 . 1 1 106 106 SER CB C 106 62.480 62.480 62.791 -0.311 19579 4628 1 7 . 1 1 106 106 SER H H 106 7.685 7.685 7.771 -0.086 19579 4629 1 7 . 1 1 107 107 THR N N 107 121.741 121.741 119.570 2.171 19579 4630 1 7 . 1 1 107 107 THR HA H 107 4.373 4.373 4.169 0.204 19579 4631 1 7 . 1 1 107 107 THR C C 107 176.227 176.227 176.045 0.182 19579 4632 1 7 . 1 1 107 107 THR CA C 107 66.648 66.648 65.936 0.712 19579 4633 1 7 . 1 1 107 107 THR CB C 107 66.884 66.884 68.824 -1.940 19579 4634 1 7 . 1 1 107 107 THR H H 107 8.024 8.024 7.418 0.606 19579 4635 1 7 . 1 1 108 108 LEU N N 108 122.175 122.175 121.390 0.785 19579 4636 1 7 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.884 0.032 19579 4637 1 7 . 1 1 108 108 LEU C C 108 178.560 178.560 178.414 0.146 19579 4638 1 7 . 1 1 108 108 LEU CA C 108 59.169 59.169 58.033 1.136 19579 4639 1 7 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.353 -0.324 19579 4640 1 7 . 1 1 108 108 LEU H H 108 8.475 8.475 8.471 0.004 19579 4641 1 7 . 1 1 109 109 ASN N N 109 116.499 116.499 116.650 -0.151 19579 4642 1 7 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.666 -0.180 19579 4643 1 7 . 1 1 109 109 ASN C C 109 177.181 177.181 177.535 -0.354 19579 4644 1 7 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.713 0.786 19579 4645 1 7 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.754 0.231 19579 4646 1 7 . 1 1 109 109 ASN H H 109 7.567 7.567 7.702 -0.135 19579 4647 1 7 . 1 1 110 110 VAL N N 110 121.382 121.382 120.429 0.953 19579 4648 1 7 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.953 -0.076 19579 4649 1 7 . 1 1 110 110 VAL C C 110 180.116 180.116 177.321 2.795 19579 4650 1 7 . 1 1 110 110 VAL CA C 110 66.236 66.236 64.959 1.277 19579 4651 1 7 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.679 -0.119 19579 4652 1 7 . 1 1 110 110 VAL H H 110 7.978 7.978 7.461 0.517 19579 4653 1 7 . 1 1 111 111 VAL N N 111 123.748 123.748 120.938 2.810 19579 4654 1 7 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.750 -0.392 19579 4655 1 7 . 1 1 111 111 VAL C C 111 177.424 177.424 177.349 0.075 19579 4656 1 7 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.214 2.968 19579 4657 1 7 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.106 0.000 19579 4658 1 7 . 1 1 111 111 VAL H H 111 8.228 8.228 7.489 0.739 19579 4659 1 7 . 1 1 112 112 GLN N N 112 120.331 120.331 118.810 1.521 19579 4660 1 7 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.951 -0.353 19579 4661 1 7 . 1 1 112 112 GLN C C 112 178.329 178.329 178.153 0.176 19579 4662 1 7 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.447 0.862 19579 4663 1 7 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.256 1.885 19579 4664 1 7 . 1 1 112 112 GLN H H 112 8.719 8.719 7.756 0.963 19579 4665 1 7 . 1 1 113 113 ASP N N 113 117.931 117.931 118.109 -0.178 19579 4666 1 7 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.489 -0.139 19579 4667 1 7 . 1 1 113 113 ASP C C 113 178.406 178.406 177.925 0.481 19579 4668 1 7 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.428 0.601 19579 4669 1 7 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.770 0.524 19579 4670 1 7 . 1 1 113 113 ASP H H 113 8.410 8.410 7.754 0.656 19579 4671 1 7 . 1 1 114 114 SER N N 114 113.798 113.798 115.379 -1.581 19579 4672 1 7 . 1 1 114 114 SER HA H 114 4.310 4.310 4.357 -0.047 19579 4673 1 7 . 1 1 114 114 SER C C 114 175.416 175.416 175.967 -0.551 19579 4674 1 7 . 1 1 114 114 SER CA C 114 61.981 61.981 61.214 0.767 19579 4675 1 7 . 1 1 114 114 SER CB C 114 63.618 63.618 63.599 0.019 19579 4676 1 7 . 1 1 114 114 SER H H 114 7.973 7.973 7.534 0.439 19579 4677 1 7 . 1 1 115 115 VAL N N 115 115.306 115.306 119.907 -4.601 19579 4678 1 7 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.439 -0.232 19579 4679 1 7 . 1 1 115 115 VAL C C 115 177.325 177.325 177.119 0.206 19579 4680 1 7 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.989 1.275 19579 4681 1 7 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.626 -0.259 19579 4682 1 7 . 1 1 115 115 VAL H H 115 8.090 8.090 7.775 0.315 19579 4683 1 7 . 1 1 116 116 GLY N N 116 107.952 107.952 109.229 -1.277 19579 4684 1 7 . 1 1 116 116 GLY C C 116 175.129 175.129 175.144 -0.015 19579 4685 1 7 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.610 0.220 19579 4686 1 7 . 1 1 116 116 GLY H H 116 7.991 7.991 8.171 -0.180 19579 4687 1 7 . 1 1 117 117 GLN N N 117 116.191 116.191 118.238 -2.047 19579 4688 1 7 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.006 0.047 19579 4689 1 7 . 1 1 117 117 GLN C C 117 176.056 176.056 176.294 -0.238 19579 4690 1 7 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.424 -0.368 19579 4691 1 7 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.528 0.964 19579 4692 1 7 . 1 1 117 117 GLN H H 117 7.721 7.721 8.203 -0.482 19579 4693 1 7 . 1 1 118 118 TYR N N 118 116.504 116.504 118.552 -2.048 19579 4694 1 7 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.402 -0.176 19579 4695 1 7 . 1 1 118 118 TYR C C 118 174.919 174.919 177.368 -2.449 19579 4696 1 7 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.623 -0.972 19579 4697 1 7 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.407 -0.416 19579 4698 1 7 . 1 1 118 118 TYR H H 118 7.685 7.685 8.075 -0.390 19579 4699 1 7 . 1 1 119 119 VAL N N 119 115.145 115.145 117.688 -2.543 19579 4700 1 7 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.056 0.138 19579 4701 1 7 . 1 1 119 119 VAL C C 119 174.666 174.666 177.196 -2.530 19579 4702 1 7 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.620 -1.658 19579 4703 1 7 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.850 0.767 19579 4704 1 7 . 1 1 119 119 VAL H H 119 7.132 7.132 7.695 -0.563 19579 4705 1 8 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.464 0.412 19579 4706 1 8 . 1 1 -2 -2 ASN N N -2 118.808 118.808 121.162 -2.354 19579 4707 1 8 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.622 0.562 19579 4708 1 8 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.185 0.213 19579 4709 1 8 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.580 -0.273 19579 4710 1 8 . 1 1 2 2 THR N N 2 116.876 116.876 123.710 -6.834 19579 4711 1 8 . 1 1 2 2 THR HA H 2 4.348 4.348 4.504 -0.156 19579 4712 1 8 . 1 1 2 2 THR C C 2 174.600 174.600 173.253 1.347 19579 4713 1 8 . 1 1 2 2 THR CA C 2 61.785 61.785 61.796 -0.011 19579 4714 1 8 . 1 1 2 2 THR CB C 2 69.800 69.800 71.067 -1.267 19579 4715 1 8 . 1 1 2 2 THR H H 2 8.176 8.176 8.430 -0.254 19579 4716 1 8 . 1 1 3 3 SER N N 3 117.968 117.968 121.742 -3.774 19579 4717 1 8 . 1 1 3 3 SER C C 3 174.732 174.732 174.470 0.262 19579 4718 1 8 . 1 1 3 3 SER CA C 3 58.585 58.585 59.795 -1.210 19579 4719 1 8 . 1 1 3 3 SER H H 3 8.248 8.248 8.702 -0.454 19579 4720 1 8 . 1 1 5 5 GLY N N 5 108.381 108.381 107.521 0.860 19579 4721 1 8 . 1 1 5 5 GLY C C 5 173.728 173.728 172.193 1.535 19579 4722 1 8 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.591 -0.376 19579 4723 1 8 . 1 1 5 5 GLY H H 5 8.134 8.134 7.859 0.275 19579 4724 1 8 . 1 1 6 6 TYR N N 6 120.011 120.011 115.821 4.190 19579 4725 1 8 . 1 1 6 6 TYR HA H 6 4.464 4.464 5.167 -0.703 19579 4726 1 8 . 1 1 6 6 TYR C C 6 176.232 176.232 174.453 1.779 19579 4727 1 8 . 1 1 6 6 TYR CA C 6 58.175 58.175 56.333 1.842 19579 4728 1 8 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.751 -0.987 19579 4729 1 8 . 1 1 6 6 TYR H H 6 8.096 8.096 7.981 0.115 19579 4730 1 8 . 1 1 7 7 GLY N N 7 110.530 110.530 110.402 0.128 19579 4731 1 8 . 1 1 7 7 GLY C C 7 173.772 173.772 172.089 1.683 19579 4732 1 8 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.811 -0.589 19579 4733 1 8 . 1 1 7 7 GLY H H 7 8.283 8.283 8.941 -0.658 19579 4734 1 8 . 1 1 8 8 TYR N N 8 120.132 120.132 119.333 0.799 19579 4735 1 8 . 1 1 8 8 TYR HA H 8 4.483 4.483 5.016 -0.533 19579 4736 1 8 . 1 1 8 8 TYR C C 8 176.420 176.420 174.763 1.657 19579 4737 1 8 . 1 1 8 8 TYR CA C 8 58.334 58.334 55.951 2.383 19579 4738 1 8 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.618 -0.873 19579 4739 1 8 . 1 1 8 8 TYR H H 8 7.987 7.987 7.910 0.077 19579 4740 1 8 . 1 1 9 9 GLY N N 9 110.831 110.831 109.535 1.296 19579 4741 1 8 . 1 1 9 9 GLY C C 9 174.335 174.335 172.847 1.488 19579 4742 1 8 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.177 0.272 19579 4743 1 8 . 1 1 9 9 GLY H H 9 8.400 8.400 8.653 -0.253 19579 4744 1 8 . 1 1 10 10 THR N N 10 113.216 113.216 113.610 -0.394 19579 4745 1 8 . 1 1 10 10 THR HA H 10 4.366 4.366 4.864 -0.498 19579 4746 1 8 . 1 1 10 10 THR C C 10 174.721 174.721 173.926 0.795 19579 4747 1 8 . 1 1 10 10 THR CA C 10 61.829 61.829 61.640 0.189 19579 4748 1 8 . 1 1 10 10 THR CB C 10 69.881 69.881 70.136 -0.255 19579 4749 1 8 . 1 1 10 10 THR H H 10 8.012 8.012 7.872 0.140 19579 4750 1 8 . 1 1 11 11 SER N N 11 117.904 117.904 117.921 -0.017 19579 4751 1 8 . 1 1 11 11 SER HA H 11 4.414 4.414 4.798 -0.384 19579 4752 1 8 . 1 1 11 11 SER C C 11 174.335 174.335 173.128 1.207 19579 4753 1 8 . 1 1 11 11 SER CA C 11 58.363 58.363 58.135 0.228 19579 4754 1 8 . 1 1 11 11 SER CB C 11 63.911 63.911 64.414 -0.503 19579 4755 1 8 . 1 1 11 11 SER H H 11 8.342 8.342 8.608 -0.266 19579 4756 1 8 . 1 1 12 12 ALA N N 12 126.003 126.003 124.447 1.556 19579 4757 1 8 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.557 -0.319 19579 4758 1 8 . 1 1 12 12 ALA C C 12 177.468 177.468 175.494 1.974 19579 4759 1 8 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.257 0.515 19579 4760 1 8 . 1 1 12 12 ALA CB C 12 19.088 19.088 20.030 -0.942 19579 4761 1 8 . 1 1 12 12 ALA H H 12 8.274 8.274 8.385 -0.111 19579 4762 1 8 . 1 1 13 13 ALA N N 13 122.954 122.954 123.840 -0.886 19579 4763 1 8 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.764 -0.539 19579 4764 1 8 . 1 1 13 13 ALA C C 13 178.207 178.207 175.767 2.440 19579 4765 1 8 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.558 1.021 19579 4766 1 8 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.962 -1.671 19579 4767 1 8 . 1 1 13 13 ALA H H 13 8.121 8.121 8.293 -0.172 19579 4768 1 8 . 1 1 14 14 ALA N N 14 123.733 123.733 123.670 0.063 19579 4769 1 8 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.613 -0.356 19579 4770 1 8 . 1 1 14 14 ALA C C 14 178.227 178.227 177.098 1.129 19579 4771 1 8 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.183 0.566 19579 4772 1 8 . 1 1 14 14 ALA CB C 14 19.276 19.276 21.134 -1.858 19579 4773 1 8 . 1 1 14 14 ALA H H 14 8.262 8.262 8.481 -0.219 19579 4774 1 8 . 1 1 15 15 GLY N N 15 108.014 108.014 110.119 -2.105 19579 4775 1 8 . 1 1 15 15 GLY C C 15 173.849 173.849 173.609 0.240 19579 4776 1 8 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.118 0.193 19579 4777 1 8 . 1 1 15 15 GLY H H 15 8.239 8.239 8.822 -0.583 19579 4778 1 8 . 1 1 16 16 ALA N N 16 123.529 123.529 125.031 -1.502 19579 4779 1 8 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.763 -0.465 19579 4780 1 8 . 1 1 16 16 ALA C C 16 178.108 178.108 175.672 2.436 19579 4781 1 8 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.598 1.113 19579 4782 1 8 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.663 -2.347 19579 4783 1 8 . 1 1 16 16 ALA H H 16 8.102 8.102 7.724 0.378 19579 4784 1 8 . 1 1 17 17 GLY N N 17 108.099 108.099 109.111 -1.012 19579 4785 1 8 . 1 1 17 17 GLY C C 17 174.081 174.081 173.876 0.205 19579 4786 1 8 . 1 1 17 17 GLY CA C 17 45.235 45.235 46.142 -0.907 19579 4787 1 8 . 1 1 17 17 GLY H H 17 8.356 8.356 8.490 -0.134 19579 4788 1 8 . 1 1 18 18 VAL N N 18 119.220 119.220 119.637 -0.417 19579 4789 1 8 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.085 -0.018 19579 4790 1 8 . 1 1 18 18 VAL C C 18 175.946 175.946 176.343 -0.397 19579 4791 1 8 . 1 1 18 18 VAL CA C 18 62.283 62.283 62.017 0.266 19579 4792 1 8 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.379 0.385 19579 4793 1 8 . 1 1 18 18 VAL H H 18 7.899 7.899 8.011 -0.112 19579 4794 1 8 . 1 1 19 19 ALA N N 19 127.804 127.804 120.995 6.809 19579 4795 1 8 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.931 0.356 19579 4796 1 8 . 1 1 19 19 ALA C C 19 177.303 177.303 177.120 0.183 19579 4797 1 8 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.819 -1.359 19579 4798 1 8 . 1 1 19 19 ALA CB C 19 19.299 19.299 16.882 2.417 19579 4799 1 8 . 1 1 19 19 ALA H H 19 8.377 8.377 8.526 -0.149 19579 4800 1 8 . 1 1 20 20 ALA N N 20 123.602 123.602 121.807 1.795 19579 4801 1 8 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.227 0.052 19579 4802 1 8 . 1 1 20 20 ALA C C 20 178.086 178.086 177.723 0.363 19579 4803 1 8 . 1 1 20 20 ALA CA C 20 52.752 52.752 53.610 -0.858 19579 4804 1 8 . 1 1 20 20 ALA CB C 20 19.315 19.315 19.443 -0.128 19579 4805 1 8 . 1 1 20 20 ALA H H 20 8.261 8.261 8.276 -0.015 19579 4806 1 8 . 1 1 21 21 GLY N N 21 108.033 108.033 103.820 4.213 19579 4807 1 8 . 1 1 21 21 GLY C C 21 174.213 174.213 173.393 0.820 19579 4808 1 8 . 1 1 21 21 GLY CA C 21 45.291 45.291 45.210 0.081 19579 4809 1 8 . 1 1 21 21 GLY H H 21 8.323 8.323 7.982 0.341 19579 4810 1 8 . 1 1 22 22 SER N N 22 115.596 115.596 115.024 0.572 19579 4811 1 8 . 1 1 22 22 SER HA H 22 4.369 4.369 4.401 -0.032 19579 4812 1 8 . 1 1 22 22 SER C C 22 175.328 175.328 172.199 3.129 19579 4813 1 8 . 1 1 22 22 SER CA C 22 58.686 58.686 58.034 0.652 19579 4814 1 8 . 1 1 22 22 SER CB C 22 63.915 63.915 63.295 0.620 19579 4815 1 8 . 1 1 22 22 SER H H 22 8.118 8.118 8.121 -0.003 19579 4816 1 8 . 1 1 23 23 TYR N N 23 121.490 121.490 121.228 0.262 19579 4817 1 8 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.105 -0.336 19579 4818 1 8 . 1 1 23 23 TYR C C 23 175.890 175.890 173.851 2.039 19579 4819 1 8 . 1 1 23 23 TYR CA C 23 57.724 57.724 55.576 2.148 19579 4820 1 8 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.883 -2.020 19579 4821 1 8 . 1 1 23 23 TYR H H 23 8.620 8.620 7.428 1.192 19579 4822 1 8 . 1 1 24 24 ALA N N 24 121.940 121.940 125.534 -3.594 19579 4823 1 8 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.717 -0.836 19579 4824 1 8 . 1 1 24 24 ALA C C 24 179.366 179.366 177.514 1.852 19579 4825 1 8 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.988 3.405 19579 4826 1 8 . 1 1 24 24 ALA CB C 24 18.540 18.540 21.109 -2.569 19579 4827 1 8 . 1 1 24 24 ALA H H 24 8.127 8.127 8.986 -0.859 19579 4828 1 8 . 1 1 25 25 GLY N N 25 106.527 106.527 109.182 -2.655 19579 4829 1 8 . 1 1 25 25 GLY C C 25 175.074 175.074 175.347 -0.273 19579 4830 1 8 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.013 0.184 19579 4831 1 8 . 1 1 25 25 GLY H H 25 8.647 8.647 8.524 0.123 19579 4832 1 8 . 1 1 26 26 ALA N N 26 122.752 122.752 124.705 -1.953 19579 4833 1 8 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.212 -0.185 19579 4834 1 8 . 1 1 26 26 ALA C C 26 177.490 177.490 179.957 -2.467 19579 4835 1 8 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.044 -0.508 19579 4836 1 8 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.355 0.621 19579 4837 1 8 . 1 1 26 26 ALA H H 26 7.552 7.552 7.755 -0.203 19579 4838 1 8 . 1 1 27 27 VAL N N 27 113.110 113.110 116.513 -3.403 19579 4839 1 8 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.760 -0.299 19579 4840 1 8 . 1 1 27 27 VAL C C 27 179.366 179.366 177.922 1.444 19579 4841 1 8 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.135 0.428 19579 4842 1 8 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.314 0.781 19579 4843 1 8 . 1 1 27 27 VAL H H 27 7.283 7.283 7.750 -0.467 19579 4844 1 8 . 1 1 28 28 ASN N N 28 119.671 119.671 118.580 1.091 19579 4845 1 8 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.509 -0.154 19579 4846 1 8 . 1 1 28 28 ASN C C 28 177.667 177.667 177.633 0.034 19579 4847 1 8 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.740 0.350 19579 4848 1 8 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.922 0.398 19579 4849 1 8 . 1 1 28 28 ASN H H 28 8.374 8.374 8.413 -0.039 19579 4850 1 8 . 1 1 29 29 ARG N N 29 116.957 116.957 120.352 -3.395 19579 4851 1 8 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.159 -0.041 19579 4852 1 8 . 1 1 29 29 ARG C C 29 177.457 177.457 178.499 -1.042 19579 4853 1 8 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.264 0.431 19579 4854 1 8 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.988 0.149 19579 4855 1 8 . 1 1 29 29 ARG H H 29 7.860 7.860 7.557 0.303 19579 4856 1 8 . 1 1 30 30 LEU N N 30 121.060 121.060 118.700 2.360 19579 4857 1 8 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.182 -0.228 19579 4858 1 8 . 1 1 30 30 LEU C C 30 174.975 174.975 177.647 -2.672 19579 4859 1 8 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.838 0.384 19579 4860 1 8 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.763 -0.805 19579 4861 1 8 . 1 1 30 30 LEU H H 30 7.524 7.524 7.784 -0.260 19579 4862 1 8 . 1 1 31 31 SER N N 31 106.764 106.764 112.339 -5.575 19579 4863 1 8 . 1 1 31 31 SER HA H 31 4.523 4.523 4.501 0.022 19579 4864 1 8 . 1 1 31 31 SER C C 31 174.666 174.666 173.974 0.692 19579 4865 1 8 . 1 1 31 31 SER CA C 31 57.680 57.680 58.611 -0.930 19579 4866 1 8 . 1 1 31 31 SER CB C 31 63.290 63.290 63.380 -0.090 19579 4867 1 8 . 1 1 31 31 SER H H 31 7.046 7.046 7.621 -0.575 19579 4868 1 8 . 1 1 32 32 SER N N 32 117.235 117.235 115.562 1.673 19579 4869 1 8 . 1 1 32 32 SER HA H 32 4.383 4.383 4.725 -0.342 19579 4870 1 8 . 1 1 32 32 SER C C 32 174.677 174.677 174.478 0.199 19579 4871 1 8 . 1 1 32 32 SER CA C 32 58.027 58.027 56.939 1.088 19579 4872 1 8 . 1 1 32 32 SER CB C 32 66.069 66.069 64.586 1.483 19579 4873 1 8 . 1 1 32 32 SER H H 32 7.721 7.721 7.327 0.394 19579 4874 1 8 . 1 1 33 33 ALA N N 33 126.048 126.048 123.379 2.669 19579 4875 1 8 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.186 -0.088 19579 4876 1 8 . 1 1 33 33 ALA C C 33 180.822 180.822 179.361 1.461 19579 4877 1 8 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.228 0.513 19579 4878 1 8 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.824 -0.795 19579 4879 1 8 . 1 1 33 33 ALA H H 33 8.980 8.980 8.716 0.264 19579 4880 1 8 . 1 1 34 34 GLU N N 34 117.978 117.978 119.905 -1.927 19579 4881 1 8 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.864 0.071 19579 4882 1 8 . 1 1 34 34 GLU C C 34 178.560 178.560 178.650 -0.090 19579 4883 1 8 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.136 1.238 19579 4884 1 8 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.325 -0.512 19579 4885 1 8 . 1 1 34 34 GLU H H 34 8.993 8.993 7.992 1.001 19579 4886 1 8 . 1 1 35 35 ALA N N 35 123.748 123.748 121.720 2.028 19579 4887 1 8 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.280 -0.229 19579 4888 1 8 . 1 1 35 35 ALA C C 35 179.101 179.101 179.455 -0.354 19579 4889 1 8 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.962 0.458 19579 4890 1 8 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.339 0.945 19579 4891 1 8 . 1 1 35 35 ALA H H 35 7.443 7.443 7.704 -0.261 19579 4892 1 8 . 1 1 36 36 ALA N N 36 118.503 118.503 119.883 -1.380 19579 4893 1 8 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.942 -0.187 19579 4894 1 8 . 1 1 36 36 ALA C C 36 180.745 180.745 179.654 1.091 19579 4895 1 8 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.993 0.548 19579 4896 1 8 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.021 -0.995 19579 4897 1 8 . 1 1 36 36 ALA H H 36 7.484 7.484 7.842 -0.358 19579 4898 1 8 . 1 1 37 37 SER N N 37 114.688 114.688 113.858 0.830 19579 4899 1 8 . 1 1 37 37 SER HA H 37 4.170 4.170 4.318 -0.148 19579 4900 1 8 . 1 1 37 37 SER C C 37 177.214 177.214 176.612 0.602 19579 4901 1 8 . 1 1 37 37 SER CA C 37 61.628 61.628 60.609 1.019 19579 4902 1 8 . 1 1 37 37 SER CB C 37 62.653 62.653 63.293 -0.640 19579 4903 1 8 . 1 1 37 37 SER H H 37 8.178 8.178 7.938 0.240 19579 4904 1 8 . 1 1 38 38 ARG N N 38 123.817 123.817 120.712 3.105 19579 4905 1 8 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.181 -0.177 19579 4906 1 8 . 1 1 38 38 ARG C C 38 179.564 179.564 178.460 1.104 19579 4907 1 8 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.827 1.831 19579 4908 1 8 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.595 1.218 19579 4909 1 8 . 1 1 38 38 ARG H H 38 7.882 7.882 7.821 0.061 19579 4910 1 8 . 1 1 39 39 VAL N N 39 120.446 120.446 119.182 1.264 19579 4911 1 8 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.751 -0.422 19579 4912 1 8 . 1 1 39 39 VAL C C 39 178.505 178.505 177.513 0.992 19579 4913 1 8 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.292 1.902 19579 4914 1 8 . 1 1 39 39 VAL CB C 39 31.570 31.570 32.078 -0.508 19579 4915 1 8 . 1 1 39 39 VAL H H 39 8.543 8.543 8.492 0.051 19579 4916 1 8 . 1 1 40 40 SER N N 40 114.009 114.009 114.245 -0.236 19579 4917 1 8 . 1 1 40 40 SER HA H 40 4.080 4.080 3.972 0.108 19579 4918 1 8 . 1 1 40 40 SER C C 40 176.340 176.340 176.672 -0.332 19579 4919 1 8 . 1 1 40 40 SER CA C 40 62.940 62.940 61.921 1.019 19579 4920 1 8 . 1 1 40 40 SER CB C 40 62.953 62.953 62.470 0.483 19579 4921 1 8 . 1 1 40 40 SER H H 40 8.602 8.602 7.792 0.810 19579 4922 1 8 . 1 1 41 41 SER N N 41 114.648 114.648 115.156 -0.508 19579 4923 1 8 . 1 1 41 41 SER HA H 41 4.333 4.333 4.408 -0.075 19579 4924 1 8 . 1 1 41 41 SER C C 41 174.390 174.390 175.354 -0.964 19579 4925 1 8 . 1 1 41 41 SER CA C 41 60.828 60.828 59.819 1.009 19579 4926 1 8 . 1 1 41 41 SER CB C 41 63.563 63.563 63.293 0.270 19579 4927 1 8 . 1 1 41 41 SER H H 41 8.003 8.003 7.836 0.167 19579 4928 1 8 . 1 1 42 42 ASN N N 42 117.849 117.849 119.668 -1.819 19579 4929 1 8 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.756 0.208 19579 4930 1 8 . 1 1 42 42 ASN C C 42 174.677 174.677 177.530 -2.853 19579 4931 1 8 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.623 0.740 19579 4932 1 8 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.280 1.986 19579 4933 1 8 . 1 1 42 42 ASN H H 42 7.600 7.600 7.871 -0.271 19579 4934 1 8 . 1 1 43 43 ILE N N 43 116.952 116.952 118.371 -1.419 19579 4935 1 8 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.743 -0.072 19579 4936 1 8 . 1 1 43 43 ILE C C 43 176.773 176.773 176.644 0.129 19579 4937 1 8 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.323 -0.096 19579 4938 1 8 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.083 0.327 19579 4939 1 8 . 1 1 43 43 ILE H H 43 7.336 7.336 8.482 -1.146 19579 4940 1 8 . 1 1 44 44 ALA N N 44 122.396 122.396 121.550 0.846 19579 4941 1 8 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.036 0.000 19579 4942 1 8 . 1 1 44 44 ALA C C 44 180.304 180.304 178.489 1.815 19579 4943 1 8 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.462 0.926 19579 4944 1 8 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.048 -0.560 19579 4945 1 8 . 1 1 44 44 ALA H H 44 8.617 8.617 8.359 0.258 19579 4946 1 8 . 1 1 45 45 ALA N N 45 120.804 120.804 120.756 0.048 19579 4947 1 8 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.243 -0.190 19579 4948 1 8 . 1 1 45 45 ALA C C 45 180.591 180.591 179.693 0.898 19579 4949 1 8 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.243 0.509 19579 4950 1 8 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.165 -0.548 19579 4951 1 8 . 1 1 45 45 ALA H H 45 7.913 7.913 7.695 0.218 19579 4952 1 8 . 1 1 46 46 ILE N N 46 117.637 117.637 120.071 -2.434 19579 4953 1 8 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.848 -0.220 19579 4954 1 8 . 1 1 46 46 ILE C C 46 177.612 177.612 177.977 -0.365 19579 4955 1 8 . 1 1 46 46 ILE CA C 46 63.279 63.279 63.650 -0.371 19579 4956 1 8 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.702 -0.042 19579 4957 1 8 . 1 1 46 46 ILE H H 46 7.313 7.313 7.269 0.044 19579 4958 1 8 . 1 1 47 47 ALA N N 47 121.493 121.493 120.862 0.631 19579 4959 1 8 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.063 -0.119 19579 4960 1 8 . 1 1 47 47 ALA C C 47 178.538 178.538 177.924 0.614 19579 4961 1 8 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.432 0.955 19579 4962 1 8 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.407 0.572 19579 4963 1 8 . 1 1 47 47 ALA H H 47 8.413 8.413 8.313 0.100 19579 4964 1 8 . 1 1 48 48 SER N N 48 109.024 109.024 112.284 -3.260 19579 4965 1 8 . 1 1 48 48 SER HA H 48 4.352 4.352 4.631 -0.279 19579 4966 1 8 . 1 1 48 48 SER C C 48 176.056 176.056 174.854 1.202 19579 4967 1 8 . 1 1 48 48 SER CA C 48 59.977 59.977 58.720 1.257 19579 4968 1 8 . 1 1 48 48 SER CB C 48 63.838 63.838 64.233 -0.395 19579 4969 1 8 . 1 1 48 48 SER H H 48 8.030 8.030 7.660 0.370 19579 4970 1 8 . 1 1 49 49 GLY N N 49 108.121 108.121 107.821 0.300 19579 4971 1 8 . 1 1 49 49 GLY C C 49 174.820 174.820 175.226 -0.406 19579 4972 1 8 . 1 1 49 49 GLY CA C 49 45.193 45.193 44.918 0.275 19579 4973 1 8 . 1 1 49 49 GLY H H 49 8.048 8.048 7.447 0.601 19579 4974 1 8 . 1 1 50 50 GLY N N 50 111.955 111.955 110.530 1.425 19579 4975 1 8 . 1 1 50 50 GLY C C 50 174.975 174.975 174.393 0.582 19579 4976 1 8 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.279 -0.097 19579 4977 1 8 . 1 1 50 50 GLY H H 50 8.409 8.409 8.050 0.359 19579 4978 1 8 . 1 1 51 51 ALA N N 51 126.247 126.247 123.570 2.677 19579 4979 1 8 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.683 -0.864 19579 4980 1 8 . 1 1 51 51 ALA C C 51 179.697 179.697 178.923 0.774 19579 4981 1 8 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.854 2.206 19579 4982 1 8 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.932 -1.653 19579 4983 1 8 . 1 1 51 51 ALA H H 51 9.119 9.119 7.978 1.141 19579 4984 1 8 . 1 1 52 52 SER N N 52 111.975 111.975 116.462 -4.487 19579 4985 1 8 . 1 1 52 52 SER HA H 52 4.222 4.222 4.250 -0.028 19579 4986 1 8 . 1 1 52 52 SER C C 52 174.983 174.983 174.709 0.274 19579 4987 1 8 . 1 1 52 52 SER CA C 52 60.814 60.814 60.145 0.669 19579 4988 1 8 . 1 1 52 52 SER CB C 52 62.977 62.977 63.354 -0.377 19579 4989 1 8 . 1 1 52 52 SER H H 52 8.231 8.231 8.495 -0.264 19579 4990 1 8 . 1 1 53 53 ALA N N 53 122.484 122.484 123.039 -0.555 19579 4991 1 8 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.437 -0.035 19579 4992 1 8 . 1 1 53 53 ALA C C 53 177.391 177.391 178.429 -1.038 19579 4993 1 8 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.776 -0.649 19579 4994 1 8 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.450 1.496 19579 4995 1 8 . 1 1 53 53 ALA H H 53 7.602 7.602 7.977 -0.375 19579 4996 1 8 . 1 1 54 54 LEU N N 54 117.414 117.414 120.188 -2.774 19579 4997 1 8 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.127 -0.248 19579 4998 1 8 . 1 1 54 54 LEU C C 54 174.434 174.434 176.100 -1.666 19579 4999 1 8 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.591 0.724 19579 5000 1 8 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.689 -0.069 19579 5001 1 8 . 1 1 54 54 LEU H H 54 7.408 7.408 7.575 -0.167 19579 5002 1 8 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.261 -0.070 19579 5003 1 8 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.862 1.072 19579 5004 1 8 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.109 -0.059 19579 5005 1 8 . 1 1 56 56 SER N N 56 113.559 113.559 110.338 3.221 19579 5006 1 8 . 1 1 56 56 SER HA H 56 4.234 4.234 4.453 -0.219 19579 5007 1 8 . 1 1 56 56 SER C C 56 176.552 176.552 174.440 2.112 19579 5008 1 8 . 1 1 56 56 SER CA C 56 61.233 61.233 59.086 2.147 19579 5009 1 8 . 1 1 56 56 SER CB C 56 62.733 62.733 62.759 -0.026 19579 5010 1 8 . 1 1 56 56 SER H H 56 7.834 7.834 8.171 -0.337 19579 5011 1 8 . 1 1 57 57 VAL N N 57 123.292 123.292 118.369 4.923 19579 5012 1 8 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.316 -0.573 19579 5013 1 8 . 1 1 57 57 VAL C C 57 178.042 178.042 176.133 1.909 19579 5014 1 8 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.139 3.321 19579 5015 1 8 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.721 -1.953 19579 5016 1 8 . 1 1 57 57 VAL H H 57 8.263 8.263 7.650 0.613 19579 5017 1 8 . 1 1 58 58 ILE N N 58 118.510 118.510 121.407 -2.897 19579 5018 1 8 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.687 -0.003 19579 5019 1 8 . 1 1 58 58 ILE C C 58 176.221 176.221 177.840 -1.619 19579 5020 1 8 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.610 -1.528 19579 5021 1 8 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.772 -0.423 19579 5022 1 8 . 1 1 58 58 ILE H H 58 8.873 8.873 8.840 0.033 19579 5023 1 8 . 1 1 59 59 SER N N 59 114.238 114.238 113.556 0.682 19579 5024 1 8 . 1 1 59 59 SER HA H 59 4.305 4.305 4.499 -0.194 19579 5025 1 8 . 1 1 59 59 SER C C 59 177.534 177.534 176.395 1.139 19579 5026 1 8 . 1 1 59 59 SER CA C 59 61.586 61.586 60.735 0.851 19579 5027 1 8 . 1 1 59 59 SER CB C 59 62.951 62.951 63.195 -0.244 19579 5028 1 8 . 1 1 59 59 SER H H 59 7.388 7.388 8.252 -0.864 19579 5029 1 8 . 1 1 60 60 ASN N N 60 120.810 120.810 120.687 0.123 19579 5030 1 8 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.618 -0.258 19579 5031 1 8 . 1 1 60 60 ASN C C 60 178.616 178.616 177.566 1.050 19579 5032 1 8 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.745 0.970 19579 5033 1 8 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.450 0.546 19579 5034 1 8 . 1 1 60 60 ASN H H 60 8.147 8.147 7.797 0.350 19579 5035 1 8 . 1 1 61 61 ILE N N 61 121.116 121.116 121.469 -0.353 19579 5036 1 8 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.663 -0.142 19579 5037 1 8 . 1 1 61 61 ILE C C 61 176.972 176.972 177.734 -0.762 19579 5038 1 8 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.447 1.115 19579 5039 1 8 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.112 0.894 19579 5040 1 8 . 1 1 61 61 ILE H H 61 8.642 8.642 7.654 0.988 19579 5041 1 8 . 1 1 62 62 TYR N N 62 119.953 119.953 120.620 -0.667 19579 5042 1 8 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.964 -0.341 19579 5043 1 8 . 1 1 62 62 TYR C C 62 176.828 176.828 177.665 -0.837 19579 5044 1 8 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.944 1.139 19579 5045 1 8 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.481 0.494 19579 5046 1 8 . 1 1 62 62 TYR H H 62 9.192 9.192 8.326 0.866 19579 5047 1 8 . 1 1 63 63 SER N N 63 111.464 111.464 113.843 -2.379 19579 5048 1 8 . 1 1 63 63 SER HA H 63 4.035 4.035 4.229 -0.194 19579 5049 1 8 . 1 1 63 63 SER C C 63 177.325 177.325 177.206 0.119 19579 5050 1 8 . 1 1 63 63 SER CA C 63 62.027 62.027 61.704 0.323 19579 5051 1 8 . 1 1 63 63 SER CB C 63 62.565 62.565 62.290 0.275 19579 5052 1 8 . 1 1 63 63 SER H H 63 8.320 8.320 8.058 0.262 19579 5053 1 8 . 1 1 64 64 GLY N N 64 110.383 110.383 109.852 0.531 19579 5054 1 8 . 1 1 64 64 GLY C C 64 175.581 175.581 175.960 -0.379 19579 5055 1 8 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.863 0.451 19579 5056 1 8 . 1 1 64 64 GLY H H 64 7.724 7.724 7.489 0.235 19579 5057 1 8 . 1 1 65 65 VAL N N 65 124.665 124.665 123.775 0.890 19579 5058 1 8 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.632 -0.388 19579 5059 1 8 . 1 1 65 65 VAL C C 65 180.072 180.072 178.402 1.670 19579 5060 1 8 . 1 1 65 65 VAL CA C 65 67.004 67.004 66.446 0.558 19579 5061 1 8 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.607 0.101 19579 5062 1 8 . 1 1 65 65 VAL H H 65 8.584 8.584 7.722 0.862 19579 5063 1 8 . 1 1 66 66 VAL N N 66 120.803 120.803 118.774 2.029 19579 5064 1 8 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.536 0.187 19579 5065 1 8 . 1 1 66 66 VAL C C 66 179.829 179.829 177.273 2.556 19579 5066 1 8 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.088 1.127 19579 5067 1 8 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.661 1.094 19579 5068 1 8 . 1 1 66 66 VAL H H 66 8.305 8.305 7.689 0.616 19579 5069 1 8 . 1 1 67 67 ALA N N 67 123.266 123.266 120.660 2.606 19579 5070 1 8 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.178 -0.014 19579 5071 1 8 . 1 1 67 67 ALA C C 67 178.560 178.560 178.967 -0.407 19579 5072 1 8 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.080 0.344 19579 5073 1 8 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.368 -0.357 19579 5074 1 8 . 1 1 67 67 ALA H H 67 7.979 7.979 7.559 0.420 19579 5075 1 8 . 1 1 68 68 SER N N 68 112.669 112.669 113.307 -0.638 19579 5076 1 8 . 1 1 68 68 SER HA H 68 4.436 4.436 4.369 0.067 19579 5077 1 8 . 1 1 68 68 SER C C 68 174.555 174.555 174.695 -0.140 19579 5078 1 8 . 1 1 68 68 SER CA C 68 59.634 59.634 59.407 0.227 19579 5079 1 8 . 1 1 68 68 SER CB C 68 63.943 63.943 63.768 0.175 19579 5080 1 8 . 1 1 68 68 SER H H 68 7.674 7.674 7.510 0.164 19579 5081 1 8 . 1 1 69 69 GLY N N 69 109.146 109.146 108.685 0.461 19579 5082 1 8 . 1 1 69 69 GLY C C 69 173.904 173.904 174.255 -0.351 19579 5083 1 8 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.784 0.447 19579 5084 1 8 . 1 1 69 69 GLY H H 69 7.939 7.939 7.428 0.511 19579 5085 1 8 . 1 1 70 70 VAL N N 70 119.926 119.926 119.699 0.227 19579 5086 1 8 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.248 -0.338 19579 5087 1 8 . 1 1 70 70 VAL C C 70 174.997 174.997 175.860 -0.863 19579 5088 1 8 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.077 1.207 19579 5089 1 8 . 1 1 70 70 VAL CB C 70 32.424 32.424 34.115 -1.691 19579 5090 1 8 . 1 1 70 70 VAL H H 70 6.723 6.723 7.505 -0.782 19579 5091 1 8 . 1 1 71 71 SER N N 71 120.581 120.581 121.401 -0.820 19579 5092 1 8 . 1 1 71 71 SER HA H 71 4.386 4.386 4.334 0.052 19579 5093 1 8 . 1 1 71 71 SER C C 71 175.559 175.559 175.119 0.440 19579 5094 1 8 . 1 1 71 71 SER CA C 71 58.441 58.441 59.061 -0.620 19579 5095 1 8 . 1 1 71 71 SER CB C 71 64.632 64.632 63.733 0.899 19579 5096 1 8 . 1 1 71 71 SER H H 71 8.577 8.577 8.484 0.093 19579 5097 1 8 . 1 1 72 72 SER N N 72 117.898 117.898 118.272 -0.374 19579 5098 1 8 . 1 1 72 72 SER HA H 72 4.083 4.083 4.030 0.053 19579 5099 1 8 . 1 1 72 72 SER C C 72 176.255 176.255 176.563 -0.308 19579 5100 1 8 . 1 1 72 72 SER CA C 72 61.586 61.586 61.914 -0.328 19579 5101 1 8 . 1 1 72 72 SER CB C 72 62.622 62.622 63.244 -0.622 19579 5102 1 8 . 1 1 72 72 SER H H 72 8.889 8.889 8.515 0.374 19579 5103 1 8 . 1 1 73 73 ASN N N 73 118.976 118.976 118.987 -0.011 19579 5104 1 8 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.463 0.194 19579 5105 1 8 . 1 1 73 73 ASN C C 73 176.506 176.506 177.188 -0.682 19579 5106 1 8 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.599 0.463 19579 5107 1 8 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.340 -0.340 19579 5108 1 8 . 1 1 73 73 ASN H H 73 8.519 8.519 8.645 -0.126 19579 5109 1 8 . 1 1 74 74 GLU N N 74 118.543 118.543 118.006 0.537 19579 5110 1 8 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.015 0.095 19579 5111 1 8 . 1 1 74 74 GLU C C 74 176.994 176.994 177.841 -0.847 19579 5112 1 8 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.122 -0.096 19579 5113 1 8 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.160 2.203 19579 5114 1 8 . 1 1 74 74 GLU H H 74 7.768 7.768 8.324 -0.556 19579 5115 1 8 . 1 1 75 75 ALA N N 75 121.901 121.901 124.007 -2.106 19579 5116 1 8 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.042 -0.352 19579 5117 1 8 . 1 1 75 75 ALA C C 75 178.318 178.318 179.380 -1.062 19579 5118 1 8 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.159 0.069 19579 5119 1 8 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.120 0.521 19579 5120 1 8 . 1 1 75 75 ALA H H 75 8.069 8.069 8.215 -0.146 19579 5121 1 8 . 1 1 76 76 LEU N N 76 117.360 117.360 119.757 -2.397 19579 5122 1 8 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.156 -0.046 19579 5123 1 8 . 1 1 76 76 LEU C C 76 177.854 177.854 178.640 -0.786 19579 5124 1 8 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.771 0.243 19579 5125 1 8 . 1 1 76 76 LEU CB C 76 40.768 40.768 41.998 -1.230 19579 5126 1 8 . 1 1 76 76 LEU H H 76 8.121 8.121 7.463 0.658 19579 5127 1 8 . 1 1 77 77 ILE N N 77 116.714 116.714 118.959 -2.245 19579 5128 1 8 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.605 -0.153 19579 5129 1 8 . 1 1 77 77 ILE C C 77 176.883 176.883 178.178 -1.295 19579 5130 1 8 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.817 -0.559 19579 5131 1 8 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.682 0.060 19579 5132 1 8 . 1 1 77 77 ILE H H 77 7.607 7.607 7.339 0.268 19579 5133 1 8 . 1 1 78 78 GLN N N 78 119.338 119.338 119.795 -0.457 19579 5134 1 8 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.890 -0.258 19579 5135 1 8 . 1 1 78 78 GLN C C 78 177.521 177.521 178.080 -0.559 19579 5136 1 8 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.032 1.288 19579 5137 1 8 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.100 0.075 19579 5138 1 8 . 1 1 78 78 GLN H H 78 8.119 8.119 8.692 -0.573 19579 5139 1 8 . 1 1 79 79 ALA N N 79 119.218 119.218 121.857 -2.639 19579 5140 1 8 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.038 -0.166 19579 5141 1 8 . 1 1 79 79 ALA C C 79 179.311 179.311 179.943 -0.632 19579 5142 1 8 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.050 -0.225 19579 5143 1 8 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.226 -0.407 19579 5144 1 8 . 1 1 79 79 ALA H H 79 8.639 8.639 7.741 0.898 19579 5145 1 8 . 1 1 80 80 LEU N N 80 116.262 116.262 118.580 -2.318 19579 5146 1 8 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.901 -0.002 19579 5147 1 8 . 1 1 80 80 LEU C C 80 178.914 178.914 179.176 -0.262 19579 5148 1 8 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.542 0.469 19579 5149 1 8 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.652 -0.037 19579 5150 1 8 . 1 1 80 80 LEU H H 80 8.450 8.450 7.754 0.696 19579 5151 1 8 . 1 1 81 81 LEU N N 81 118.995 118.995 119.868 -0.873 19579 5152 1 8 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.869 0.103 19579 5153 1 8 . 1 1 81 81 LEU C C 81 180.127 180.127 179.553 0.574 19579 5154 1 8 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.285 -0.302 19579 5155 1 8 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.264 1.279 19579 5156 1 8 . 1 1 81 81 LEU H H 81 8.151 8.151 8.561 -0.410 19579 5157 1 8 . 1 1 82 82 GLU N N 82 124.890 124.890 118.894 5.996 19579 5158 1 8 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.197 -0.564 19579 5159 1 8 . 1 1 82 82 GLU C C 82 178.505 178.505 179.297 -0.792 19579 5160 1 8 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.655 2.645 19579 5161 1 8 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.542 0.237 19579 5162 1 8 . 1 1 82 82 GLU H H 82 8.659 8.659 8.214 0.445 19579 5163 1 8 . 1 1 83 83 LEU N N 83 121.487 121.487 121.266 0.221 19579 5164 1 8 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.262 -0.442 19579 5165 1 8 . 1 1 83 83 LEU C C 83 178.163 178.163 178.312 -0.149 19579 5166 1 8 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.365 0.790 19579 5167 1 8 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.837 -0.204 19579 5168 1 8 . 1 1 83 83 LEU H H 83 8.658 8.658 7.743 0.915 19579 5169 1 8 . 1 1 84 84 LEU N N 84 118.904 118.904 119.257 -0.353 19579 5170 1 8 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.198 -0.412 19579 5171 1 8 . 1 1 84 84 LEU C C 84 178.064 178.064 178.265 -0.201 19579 5172 1 8 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.974 1.689 19579 5173 1 8 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.902 1.303 19579 5174 1 8 . 1 1 84 84 LEU H H 84 8.803 8.803 8.484 0.319 19579 5175 1 8 . 1 1 85 85 SER N N 85 114.347 114.347 114.669 -0.322 19579 5176 1 8 . 1 1 85 85 SER HA H 85 4.211 4.211 4.450 -0.239 19579 5177 1 8 . 1 1 85 85 SER C C 85 174.633 174.633 175.844 -1.211 19579 5178 1 8 . 1 1 85 85 SER CA C 85 62.957 62.957 60.079 2.878 19579 5179 1 8 . 1 1 85 85 SER CB C 85 62.947 62.947 64.101 -1.154 19579 5180 1 8 . 1 1 85 85 SER H H 85 7.879 7.879 7.789 0.090 19579 5181 1 8 . 1 1 86 86 ALA N N 86 124.206 124.206 126.435 -2.229 19579 5182 1 8 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.066 -0.296 19579 5183 1 8 . 1 1 86 86 ALA C C 86 178.538 178.538 179.348 -0.810 19579 5184 1 8 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.376 -0.010 19579 5185 1 8 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.499 -1.155 19579 5186 1 8 . 1 1 86 86 ALA H H 86 8.199 8.199 7.428 0.771 19579 5187 1 8 . 1 1 87 87 LEU N N 87 116.463 116.463 115.666 0.797 19579 5188 1 8 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.133 -0.312 19579 5189 1 8 . 1 1 87 87 LEU C C 87 178.709 178.709 178.586 0.123 19579 5190 1 8 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.625 0.729 19579 5191 1 8 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.400 2.194 19579 5192 1 8 . 1 1 87 87 LEU H H 87 8.140 8.140 7.481 0.659 19579 5193 1 8 . 1 1 88 88 VAL N N 88 118.854 118.854 120.289 -1.435 19579 5194 1 8 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.529 -0.126 19579 5195 1 8 . 1 1 88 88 VAL C C 88 177.766 177.766 177.852 -0.086 19579 5196 1 8 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.480 0.185 19579 5197 1 8 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.444 0.003 19579 5198 1 8 . 1 1 88 88 VAL H H 88 8.716 8.716 7.349 1.367 19579 5199 1 8 . 1 1 89 89 HIS N N 89 121.227 121.227 119.953 1.274 19579 5200 1 8 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.298 -0.259 19579 5201 1 8 . 1 1 89 89 HIS C C 89 178.880 178.880 177.985 0.895 19579 5202 1 8 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.609 1.713 19579 5203 1 8 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.253 1.495 19579 5204 1 8 . 1 1 89 89 HIS H H 89 8.664 8.664 8.175 0.489 19579 5205 1 8 . 1 1 90 90 VAL N N 90 118.094 118.094 118.589 -0.495 19579 5206 1 8 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.883 -0.316 19579 5207 1 8 . 1 1 90 90 VAL C C 90 177.733 177.733 177.124 0.609 19579 5208 1 8 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.585 1.245 19579 5209 1 8 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.255 0.345 19579 5210 1 8 . 1 1 90 90 VAL H H 90 7.994 7.994 7.753 0.241 19579 5211 1 8 . 1 1 91 91 LEU N N 91 119.672 119.672 119.744 -0.072 19579 5212 1 8 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.057 -0.225 19579 5213 1 8 . 1 1 91 91 LEU C C 91 178.869 178.869 178.349 0.520 19579 5214 1 8 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.369 0.389 19579 5215 1 8 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.229 1.710 19579 5216 1 8 . 1 1 91 91 LEU H H 91 8.393 8.393 7.680 0.713 19579 5217 1 8 . 1 1 92 92 SER N N 92 113.554 113.554 112.957 0.597 19579 5218 1 8 . 1 1 92 92 SER HA H 92 4.297 4.297 3.908 0.389 19579 5219 1 8 . 1 1 92 92 SER C C 92 174.500 174.500 175.292 -0.792 19579 5220 1 8 . 1 1 92 92 SER CA C 92 61.410 61.410 60.383 1.027 19579 5221 1 8 . 1 1 92 92 SER CB C 92 63.254 63.254 62.605 0.649 19579 5222 1 8 . 1 1 92 92 SER H H 92 7.900 7.900 7.573 0.327 19579 5223 1 8 . 1 1 93 93 SER N N 93 115.055 115.055 115.507 -0.452 19579 5224 1 8 . 1 1 93 93 SER HA H 93 4.704 4.704 4.785 -0.081 19579 5225 1 8 . 1 1 93 93 SER C C 93 173.044 173.044 174.574 -1.530 19579 5226 1 8 . 1 1 93 93 SER CA C 93 57.967 57.967 58.412 -0.445 19579 5227 1 8 . 1 1 93 93 SER CB C 93 64.574 64.574 64.004 0.570 19579 5228 1 8 . 1 1 93 93 SER H H 93 7.420 7.420 7.391 0.029 19579 5229 1 8 . 1 1 94 94 ALA N N 94 124.504 124.504 125.588 -1.084 19579 5230 1 8 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.157 0.472 19579 5231 1 8 . 1 1 94 94 ALA C C 94 176.199 176.199 177.012 -0.813 19579 5232 1 8 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.554 -2.086 19579 5233 1 8 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.035 2.585 19579 5234 1 8 . 1 1 94 94 ALA H H 94 7.476 7.476 7.365 0.111 19579 5235 1 8 . 1 1 95 95 SER N N 95 115.739 115.739 112.850 2.889 19579 5236 1 8 . 1 1 95 95 SER HA H 95 4.758 4.758 4.348 0.410 19579 5237 1 8 . 1 1 95 95 SER C C 95 174.136 174.136 173.462 0.674 19579 5238 1 8 . 1 1 95 95 SER CA C 95 57.343 57.343 58.841 -1.498 19579 5239 1 8 . 1 1 95 95 SER CB C 95 63.303 63.303 61.608 1.694 19579 5240 1 8 . 1 1 95 95 SER H H 95 8.483 8.483 7.502 0.981 19579 5241 1 8 . 1 1 96 96 ILE N N 96 128.288 128.288 120.342 7.946 19579 5242 1 8 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.028 -0.035 19579 5243 1 8 . 1 1 96 96 ILE C C 96 175.868 175.868 174.566 1.302 19579 5244 1 8 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.522 -1.160 19579 5245 1 8 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.252 -0.639 19579 5246 1 8 . 1 1 96 96 ILE H H 96 8.869 8.869 8.240 0.629 19579 5247 1 8 . 1 1 97 97 GLY N N 97 115.495 115.495 114.058 1.437 19579 5248 1 8 . 1 1 97 97 GLY C C 97 173.022 173.022 173.252 -0.230 19579 5249 1 8 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.214 -0.344 19579 5250 1 8 . 1 1 97 97 GLY H H 97 8.272 8.272 8.307 -0.035 19579 5251 1 8 . 1 1 98 98 ASN N N 98 120.819 120.819 122.127 -1.308 19579 5252 1 8 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.855 -0.207 19579 5253 1 8 . 1 1 98 98 ASN C C 98 174.809 174.809 174.401 0.408 19579 5254 1 8 . 1 1 98 98 ASN CA C 98 53.426 53.426 53.117 0.309 19579 5255 1 8 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.206 -0.541 19579 5256 1 8 . 1 1 98 98 ASN H H 98 8.420 8.420 8.493 -0.073 19579 5257 1 8 . 1 1 99 99 VAL N N 99 122.960 122.960 124.823 -1.863 19579 5258 1 8 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.228 -0.054 19579 5259 1 8 . 1 1 99 99 VAL C C 99 174.500 174.500 175.594 -1.094 19579 5260 1 8 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.900 -0.532 19579 5261 1 8 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.134 0.272 19579 5262 1 8 . 1 1 99 99 VAL H H 99 8.292 8.292 7.909 0.383 19579 5263 1 8 . 1 1 100 100 SER N N 100 120.723 120.723 120.449 0.274 19579 5264 1 8 . 1 1 100 100 SER HA H 100 4.756 4.756 4.713 0.043 19579 5265 1 8 . 1 1 100 100 SER C C 100 174.235 174.235 174.624 -0.389 19579 5266 1 8 . 1 1 100 100 SER CA C 100 56.687 56.687 56.987 -0.300 19579 5267 1 8 . 1 1 100 100 SER CB C 100 64.904 64.904 64.330 0.574 19579 5268 1 8 . 1 1 100 100 SER H H 100 8.644 8.644 8.646 -0.002 19579 5269 1 8 . 1 1 101 101 SER N N 101 117.236 117.236 123.128 -5.892 19579 5270 1 8 . 1 1 101 101 SER HA H 101 4.130 4.130 4.640 -0.510 19579 5271 1 8 . 1 1 101 101 SER CA C 101 59.000 59.000 58.544 0.456 19579 5272 1 8 . 1 1 101 101 SER CB C 101 63.104 63.104 62.247 0.857 19579 5273 1 8 . 1 1 102 102 VAL N N 102 124.874 124.874 123.589 1.285 19579 5274 1 8 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.282 -0.461 19579 5275 1 8 . 1 1 102 102 VAL C C 102 177.545 177.545 175.376 2.169 19579 5276 1 8 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.091 2.491 19579 5277 1 8 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.126 -1.645 19579 5278 1 8 . 1 1 102 102 VAL H H 102 8.090 8.090 8.029 0.061 19579 5279 1 8 . 1 1 103 103 GLY N N 103 114.589 114.589 114.111 0.478 19579 5280 1 8 . 1 1 103 103 GLY C C 103 176.387 176.387 174.836 1.551 19579 5281 1 8 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.436 0.250 19579 5282 1 8 . 1 1 103 103 GLY H H 103 9.051 9.051 8.578 0.473 19579 5283 1 8 . 1 1 104 104 VAL N N 104 121.976 121.976 120.859 1.117 19579 5284 1 8 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.641 -0.293 19579 5285 1 8 . 1 1 104 104 VAL C C 104 176.045 176.045 176.936 -0.891 19579 5286 1 8 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.051 1.838 19579 5287 1 8 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.754 -0.489 19579 5288 1 8 . 1 1 104 104 VAL H H 104 7.753 7.753 8.038 -0.285 19579 5289 1 8 . 1 1 105 105 ASP N N 105 117.868 117.868 119.503 -1.635 19579 5290 1 8 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.354 -0.203 19579 5291 1 8 . 1 1 105 105 ASP C C 105 178.406 178.406 178.335 0.071 19579 5292 1 8 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.509 -0.799 19579 5293 1 8 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.779 -2.127 19579 5294 1 8 . 1 1 105 105 ASP H H 105 8.719 8.719 8.659 0.060 19579 5295 1 8 . 1 1 106 106 SER N N 106 117.500 117.500 113.502 3.998 19579 5296 1 8 . 1 1 106 106 SER HA H 106 4.306 4.306 4.345 -0.039 19579 5297 1 8 . 1 1 106 106 SER C C 106 176.784 176.784 176.365 0.419 19579 5298 1 8 . 1 1 106 106 SER CA C 106 61.523 61.523 61.465 0.058 19579 5299 1 8 . 1 1 106 106 SER CB C 106 62.480 62.480 63.190 -0.709 19579 5300 1 8 . 1 1 106 106 SER H H 106 7.685 7.685 7.776 -0.091 19579 5301 1 8 . 1 1 107 107 THR N N 107 121.741 121.741 120.413 1.328 19579 5302 1 8 . 1 1 107 107 THR HA H 107 4.373 4.373 4.071 0.302 19579 5303 1 8 . 1 1 107 107 THR C C 107 176.227 176.227 176.456 -0.229 19579 5304 1 8 . 1 1 107 107 THR CA C 107 66.648 66.648 66.043 0.605 19579 5305 1 8 . 1 1 107 107 THR CB C 107 66.884 66.884 68.664 -1.780 19579 5306 1 8 . 1 1 107 107 THR H H 107 8.024 8.024 7.274 0.750 19579 5307 1 8 . 1 1 108 108 LEU N N 108 122.175 122.175 120.335 1.840 19579 5308 1 8 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.959 -0.043 19579 5309 1 8 . 1 1 108 108 LEU C C 108 178.560 178.560 178.117 0.443 19579 5310 1 8 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.954 1.215 19579 5311 1 8 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.580 -0.551 19579 5312 1 8 . 1 1 108 108 LEU H H 108 8.475 8.475 8.276 0.199 19579 5313 1 8 . 1 1 109 109 ASN N N 109 116.499 116.499 116.195 0.304 19579 5314 1 8 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.740 -0.254 19579 5315 1 8 . 1 1 109 109 ASN C C 109 177.181 177.181 177.126 0.055 19579 5316 1 8 . 1 1 109 109 ASN CA C 109 56.499 56.499 54.974 1.525 19579 5317 1 8 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.815 0.170 19579 5318 1 8 . 1 1 109 109 ASN H H 109 7.567 7.567 7.551 0.016 19579 5319 1 8 . 1 1 110 110 VAL N N 110 121.382 121.382 120.481 0.901 19579 5320 1 8 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.788 0.089 19579 5321 1 8 . 1 1 110 110 VAL C C 110 180.116 180.116 177.265 2.851 19579 5322 1 8 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.848 0.388 19579 5323 1 8 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.745 -0.185 19579 5324 1 8 . 1 1 110 110 VAL H H 110 7.978 7.978 7.681 0.297 19579 5325 1 8 . 1 1 111 111 VAL N N 111 123.748 123.748 119.011 4.737 19579 5326 1 8 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.598 -0.240 19579 5327 1 8 . 1 1 111 111 VAL C C 111 177.424 177.424 178.059 -0.635 19579 5328 1 8 . 1 1 111 111 VAL CA C 111 68.182 68.182 66.332 1.850 19579 5329 1 8 . 1 1 111 111 VAL CB C 111 31.106 31.106 30.402 0.704 19579 5330 1 8 . 1 1 111 111 VAL H H 111 8.228 8.228 7.371 0.857 19579 5331 1 8 . 1 1 112 112 GLN N N 112 120.331 120.331 117.441 2.890 19579 5332 1 8 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.957 -0.359 19579 5333 1 8 . 1 1 112 112 GLN C C 112 178.329 178.329 177.782 0.547 19579 5334 1 8 . 1 1 112 112 GLN CA C 112 60.309 60.309 58.821 1.488 19579 5335 1 8 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.194 1.947 19579 5336 1 8 . 1 1 112 112 GLN H H 112 8.719 8.719 7.785 0.934 19579 5337 1 8 . 1 1 113 113 ASP N N 113 117.931 117.931 117.509 0.422 19579 5338 1 8 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.456 -0.106 19579 5339 1 8 . 1 1 113 113 ASP C C 113 178.406 178.406 177.455 0.951 19579 5340 1 8 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.750 0.279 19579 5341 1 8 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.044 0.251 19579 5342 1 8 . 1 1 113 113 ASP H H 113 8.410 8.410 7.776 0.634 19579 5343 1 8 . 1 1 114 114 SER N N 114 113.798 113.798 115.120 -1.322 19579 5344 1 8 . 1 1 114 114 SER HA H 114 4.310 4.310 4.432 -0.122 19579 5345 1 8 . 1 1 114 114 SER C C 114 175.416 175.416 176.163 -0.747 19579 5346 1 8 . 1 1 114 114 SER CA C 114 61.981 61.981 60.487 1.494 19579 5347 1 8 . 1 1 114 114 SER CB C 114 63.618 63.618 63.581 0.037 19579 5348 1 8 . 1 1 114 114 SER H H 114 7.973 7.973 7.512 0.461 19579 5349 1 8 . 1 1 115 115 VAL N N 115 115.306 115.306 120.363 -5.057 19579 5350 1 8 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.460 -0.253 19579 5351 1 8 . 1 1 115 115 VAL C C 115 177.325 177.325 177.079 0.246 19579 5352 1 8 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.913 1.351 19579 5353 1 8 . 1 1 115 115 VAL CB C 115 32.367 32.367 31.918 0.449 19579 5354 1 8 . 1 1 115 115 VAL H H 115 8.090 8.090 7.992 0.098 19579 5355 1 8 . 1 1 116 116 GLY N N 116 107.952 107.952 108.978 -1.026 19579 5356 1 8 . 1 1 116 116 GLY C C 116 175.129 175.129 174.894 0.235 19579 5357 1 8 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.342 0.488 19579 5358 1 8 . 1 1 116 116 GLY H H 116 7.991 7.991 7.832 0.159 19579 5359 1 8 . 1 1 117 117 GLN N N 117 116.191 116.191 117.694 -1.503 19579 5360 1 8 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.196 -0.143 19579 5361 1 8 . 1 1 117 117 GLN C C 117 176.056 176.056 175.991 0.065 19579 5362 1 8 . 1 1 117 117 GLN CA C 117 57.056 57.056 56.829 0.227 19579 5363 1 8 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.790 0.702 19579 5364 1 8 . 1 1 117 117 GLN H H 117 7.721 7.721 7.861 -0.140 19579 5365 1 8 . 1 1 118 118 TYR N N 118 116.504 116.504 118.641 -2.137 19579 5366 1 8 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.424 -0.198 19579 5367 1 8 . 1 1 118 118 TYR C C 118 174.919 174.919 177.265 -2.346 19579 5368 1 8 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.174 -0.523 19579 5369 1 8 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.480 -0.489 19579 5370 1 8 . 1 1 118 118 TYR H H 118 7.685 7.685 8.025 -0.340 19579 5371 1 8 . 1 1 119 119 VAL N N 119 115.145 115.145 118.170 -3.025 19579 5372 1 8 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.992 0.202 19579 5373 1 8 . 1 1 119 119 VAL C C 119 174.666 174.666 177.018 -2.352 19579 5374 1 8 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.020 -2.058 19579 5375 1 8 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.791 0.826 19579 5376 1 8 . 1 1 119 119 VAL H H 119 7.132 7.132 7.860 -0.728 19579 5377 1 9 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.105 0.771 19579 5378 1 9 . 1 1 -2 -2 ASN N N -2 118.808 118.808 117.231 1.577 19579 5379 1 9 . 1 1 -2 -2 ASN C C -2 175.184 175.184 175.365 -0.181 19579 5380 1 9 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.840 0.559 19579 5381 1 9 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.549 -0.242 19579 5382 1 9 . 1 1 2 2 THR N N 2 116.876 116.876 120.258 -3.382 19579 5383 1 9 . 1 1 2 2 THR HA H 2 4.348 4.348 4.305 0.043 19579 5384 1 9 . 1 1 2 2 THR C C 2 174.600 174.600 174.038 0.562 19579 5385 1 9 . 1 1 2 2 THR CA C 2 61.785 61.785 63.971 -2.187 19579 5386 1 9 . 1 1 2 2 THR CB C 2 69.800 69.800 69.257 0.543 19579 5387 1 9 . 1 1 2 2 THR H H 2 8.176 8.176 8.460 -0.284 19579 5388 1 9 . 1 1 3 3 SER N N 3 117.968 117.968 123.577 -5.609 19579 5389 1 9 . 1 1 3 3 SER C C 3 174.732 174.732 175.375 -0.643 19579 5390 1 9 . 1 1 3 3 SER CA C 3 58.585 58.585 59.089 -0.504 19579 5391 1 9 . 1 1 3 3 SER H H 3 8.248 8.248 8.586 -0.338 19579 5392 1 9 . 1 1 5 5 GLY N N 5 108.381 108.381 107.982 0.399 19579 5393 1 9 . 1 1 5 5 GLY C C 5 173.728 173.728 172.170 1.558 19579 5394 1 9 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.534 0.681 19579 5395 1 9 . 1 1 5 5 GLY H H 5 8.134 8.134 7.867 0.267 19579 5396 1 9 . 1 1 6 6 TYR N N 6 120.011 120.011 121.246 -1.235 19579 5397 1 9 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.649 -0.185 19579 5398 1 9 . 1 1 6 6 TYR C C 6 176.232 176.232 175.744 0.488 19579 5399 1 9 . 1 1 6 6 TYR CA C 6 58.175 58.175 55.981 2.194 19579 5400 1 9 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.210 -0.446 19579 5401 1 9 . 1 1 6 6 TYR H H 6 8.096 8.096 7.994 0.102 19579 5402 1 9 . 1 1 7 7 GLY N N 7 110.530 110.530 108.656 1.874 19579 5403 1 9 . 1 1 7 7 GLY C C 7 173.772 173.772 173.979 -0.207 19579 5404 1 9 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.862 0.360 19579 5405 1 9 . 1 1 7 7 GLY H H 7 8.283 8.283 8.437 -0.154 19579 5406 1 9 . 1 1 8 8 TYR N N 8 120.132 120.132 120.137 -0.005 19579 5407 1 9 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.208 0.275 19579 5408 1 9 . 1 1 8 8 TYR C C 8 176.420 176.420 175.840 0.580 19579 5409 1 9 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.987 1.347 19579 5410 1 9 . 1 1 8 8 TYR CB C 8 38.745 38.745 35.704 3.041 19579 5411 1 9 . 1 1 8 8 TYR H H 8 7.987 7.987 8.298 -0.311 19579 5412 1 9 . 1 1 9 9 GLY N N 9 110.831 110.831 109.884 0.947 19579 5413 1 9 . 1 1 9 9 GLY C C 9 174.335 174.335 174.542 -0.207 19579 5414 1 9 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.831 0.618 19579 5415 1 9 . 1 1 9 9 GLY H H 9 8.400 8.400 8.258 0.141 19579 5416 1 9 . 1 1 10 10 THR N N 10 113.216 113.216 116.679 -3.463 19579 5417 1 9 . 1 1 10 10 THR HA H 10 4.366 4.366 4.577 -0.211 19579 5418 1 9 . 1 1 10 10 THR C C 10 174.721 174.721 174.405 0.316 19579 5419 1 9 . 1 1 10 10 THR CA C 10 61.829 61.829 61.736 0.093 19579 5420 1 9 . 1 1 10 10 THR CB C 10 69.881 69.881 69.680 0.201 19579 5421 1 9 . 1 1 10 10 THR H H 10 8.012 8.012 7.774 0.238 19579 5422 1 9 . 1 1 11 11 SER N N 11 117.904 117.904 119.576 -1.672 19579 5423 1 9 . 1 1 11 11 SER HA H 11 4.414 4.414 4.735 -0.321 19579 5424 1 9 . 1 1 11 11 SER C C 11 174.335 174.335 173.305 1.030 19579 5425 1 9 . 1 1 11 11 SER CA C 11 58.363 58.363 58.050 0.313 19579 5426 1 9 . 1 1 11 11 SER CB C 11 63.911 63.911 64.407 -0.496 19579 5427 1 9 . 1 1 11 11 SER H H 11 8.342 8.342 8.612 -0.270 19579 5428 1 9 . 1 1 12 12 ALA N N 12 126.003 126.003 125.539 0.464 19579 5429 1 9 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.522 -0.284 19579 5430 1 9 . 1 1 12 12 ALA C C 12 177.468 177.468 175.901 1.567 19579 5431 1 9 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.184 0.588 19579 5432 1 9 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.945 -0.857 19579 5433 1 9 . 1 1 12 12 ALA H H 12 8.274 8.274 8.360 -0.086 19579 5434 1 9 . 1 1 13 13 ALA N N 13 122.954 122.954 125.595 -2.641 19579 5435 1 9 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.794 -0.569 19579 5436 1 9 . 1 1 13 13 ALA C C 13 178.207 178.207 176.075 2.132 19579 5437 1 9 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.797 -0.218 19579 5438 1 9 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.880 -0.589 19579 5439 1 9 . 1 1 13 13 ALA H H 13 8.121 8.121 8.416 -0.295 19579 5440 1 9 . 1 1 14 14 ALA N N 14 123.733 123.733 122.680 1.053 19579 5441 1 9 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.561 -0.304 19579 5442 1 9 . 1 1 14 14 ALA C C 14 178.227 178.227 176.095 2.132 19579 5443 1 9 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.342 0.407 19579 5444 1 9 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.000 -0.724 19579 5445 1 9 . 1 1 14 14 ALA H H 14 8.262 8.262 8.079 0.183 19579 5446 1 9 . 1 1 15 15 GLY N N 15 108.014 108.014 107.772 0.242 19579 5447 1 9 . 1 1 15 15 GLY C C 15 173.849 173.849 173.063 0.786 19579 5448 1 9 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.911 -0.600 19579 5449 1 9 . 1 1 15 15 GLY H H 15 8.239 8.239 8.274 -0.035 19579 5450 1 9 . 1 1 16 16 ALA N N 16 123.529 123.529 122.443 1.086 19579 5451 1 9 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.863 -0.565 19579 5452 1 9 . 1 1 16 16 ALA C C 16 178.108 178.108 175.630 2.478 19579 5453 1 9 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.422 1.289 19579 5454 1 9 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.718 -2.402 19579 5455 1 9 . 1 1 16 16 ALA H H 16 8.102 8.102 7.975 0.127 19579 5456 1 9 . 1 1 17 17 GLY N N 17 108.099 108.099 108.684 -0.585 19579 5457 1 9 . 1 1 17 17 GLY C C 17 174.081 174.081 173.193 0.888 19579 5458 1 9 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.682 -0.447 19579 5459 1 9 . 1 1 17 17 GLY H H 17 8.356 8.356 8.383 -0.027 19579 5460 1 9 . 1 1 18 18 VAL N N 18 119.220 119.220 122.120 -2.900 19579 5461 1 9 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.472 -0.405 19579 5462 1 9 . 1 1 18 18 VAL C C 18 175.946 175.946 174.566 1.380 19579 5463 1 9 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.123 1.160 19579 5464 1 9 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.178 -0.414 19579 5465 1 9 . 1 1 18 18 VAL H H 18 7.899 7.899 7.646 0.253 19579 5466 1 9 . 1 1 19 19 ALA N N 19 127.804 127.804 131.573 -3.769 19579 5467 1 9 . 1 1 19 19 ALA HA H 19 4.287 4.287 4.184 0.103 19579 5468 1 9 . 1 1 19 19 ALA C C 19 177.303 177.303 176.469 0.834 19579 5469 1 9 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.594 -1.135 19579 5470 1 9 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.499 1.800 19579 5471 1 9 . 1 1 19 19 ALA H H 19 8.377 8.377 8.688 -0.311 19579 5472 1 9 . 1 1 20 20 ALA N N 20 123.602 123.602 119.041 4.561 19579 5473 1 9 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.480 -0.201 19579 5474 1 9 . 1 1 20 20 ALA C C 20 178.086 178.086 177.075 1.011 19579 5475 1 9 . 1 1 20 20 ALA CA C 20 52.752 52.752 52.118 0.634 19579 5476 1 9 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.010 -0.695 19579 5477 1 9 . 1 1 20 20 ALA H H 20 8.261 8.261 7.226 1.035 19579 5478 1 9 . 1 1 21 21 GLY N N 21 108.033 108.033 108.658 -0.625 19579 5479 1 9 . 1 1 21 21 GLY C C 21 174.213 174.213 173.910 0.303 19579 5480 1 9 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.539 -1.248 19579 5481 1 9 . 1 1 21 21 GLY H H 21 8.323 8.323 8.270 0.053 19579 5482 1 9 . 1 1 22 22 SER N N 22 115.596 115.596 119.225 -3.629 19579 5483 1 9 . 1 1 22 22 SER HA H 22 4.369 4.369 4.606 -0.237 19579 5484 1 9 . 1 1 22 22 SER C C 22 175.328 175.328 173.457 1.871 19579 5485 1 9 . 1 1 22 22 SER CA C 22 58.686 58.686 56.155 2.531 19579 5486 1 9 . 1 1 22 22 SER CB C 22 63.915 63.915 62.434 1.482 19579 5487 1 9 . 1 1 22 22 SER H H 22 8.118 8.118 8.209 -0.091 19579 5488 1 9 . 1 1 23 23 TYR N N 23 121.490 121.490 120.617 0.873 19579 5489 1 9 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.864 -0.095 19579 5490 1 9 . 1 1 23 23 TYR C C 23 175.890 175.890 174.951 0.939 19579 5491 1 9 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.041 1.683 19579 5492 1 9 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.018 -1.155 19579 5493 1 9 . 1 1 23 23 TYR H H 23 8.620 8.620 7.408 1.212 19579 5494 1 9 . 1 1 24 24 ALA N N 24 121.940 121.940 126.494 -4.554 19579 5495 1 9 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.701 -0.820 19579 5496 1 9 . 1 1 24 24 ALA C C 24 179.366 179.366 177.885 1.481 19579 5497 1 9 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.897 3.497 19579 5498 1 9 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.938 -1.398 19579 5499 1 9 . 1 1 24 24 ALA H H 24 8.127 8.127 8.525 -0.398 19579 5500 1 9 . 1 1 25 25 GLY N N 25 106.527 106.527 109.419 -2.892 19579 5501 1 9 . 1 1 25 25 GLY C C 25 175.074 175.074 175.326 -0.252 19579 5502 1 9 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.028 0.169 19579 5503 1 9 . 1 1 25 25 GLY H H 25 8.647 8.647 8.359 0.288 19579 5504 1 9 . 1 1 26 26 ALA N N 26 122.752 122.752 124.948 -2.196 19579 5505 1 9 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.116 -0.089 19579 5506 1 9 . 1 1 26 26 ALA C C 26 177.490 177.490 179.649 -2.159 19579 5507 1 9 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.910 -0.374 19579 5508 1 9 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.414 0.562 19579 5509 1 9 . 1 1 26 26 ALA H H 26 7.552 7.552 8.513 -0.961 19579 5510 1 9 . 1 1 27 27 VAL N N 27 113.110 113.110 116.079 -2.969 19579 5511 1 9 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.835 -0.374 19579 5512 1 9 . 1 1 27 27 VAL C C 27 179.366 179.366 177.906 1.460 19579 5513 1 9 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.031 0.532 19579 5514 1 9 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.498 0.597 19579 5515 1 9 . 1 1 27 27 VAL H H 27 7.283 7.283 7.663 -0.380 19579 5516 1 9 . 1 1 28 28 ASN N N 28 119.671 119.671 118.862 0.809 19579 5517 1 9 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.450 -0.095 19579 5518 1 9 . 1 1 28 28 ASN C C 28 177.667 177.667 177.007 0.660 19579 5519 1 9 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.797 0.293 19579 5520 1 9 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.999 0.321 19579 5521 1 9 . 1 1 28 28 ASN H H 28 8.374 8.374 8.379 -0.005 19579 5522 1 9 . 1 1 29 29 ARG N N 29 116.957 116.957 118.411 -1.454 19579 5523 1 9 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.179 -0.061 19579 5524 1 9 . 1 1 29 29 ARG C C 29 177.457 177.457 178.802 -1.345 19579 5525 1 9 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.728 0.967 19579 5526 1 9 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.001 0.136 19579 5527 1 9 . 1 1 29 29 ARG H H 29 7.860 7.860 7.444 0.416 19579 5528 1 9 . 1 1 30 30 LEU N N 30 121.060 121.060 118.969 2.091 19579 5529 1 9 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.107 -0.153 19579 5530 1 9 . 1 1 30 30 LEU C C 30 174.975 174.975 177.489 -2.514 19579 5531 1 9 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.096 0.126 19579 5532 1 9 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.937 -0.979 19579 5533 1 9 . 1 1 30 30 LEU H H 30 7.524 7.524 7.841 -0.317 19579 5534 1 9 . 1 1 31 31 SER N N 31 106.764 106.764 111.830 -5.066 19579 5535 1 9 . 1 1 31 31 SER HA H 31 4.523 4.523 4.428 0.095 19579 5536 1 9 . 1 1 31 31 SER C C 31 174.666 174.666 174.544 0.122 19579 5537 1 9 . 1 1 31 31 SER CA C 31 57.680 57.680 58.618 -0.938 19579 5538 1 9 . 1 1 31 31 SER CB C 31 63.290 63.290 63.223 0.067 19579 5539 1 9 . 1 1 31 31 SER H H 31 7.046 7.046 7.957 -0.911 19579 5540 1 9 . 1 1 32 32 SER N N 32 117.235 117.235 118.394 -1.159 19579 5541 1 9 . 1 1 32 32 SER HA H 32 4.383 4.383 4.676 -0.293 19579 5542 1 9 . 1 1 32 32 SER C C 32 174.677 174.677 174.535 0.142 19579 5543 1 9 . 1 1 32 32 SER CA C 32 58.027 58.027 57.213 0.814 19579 5544 1 9 . 1 1 32 32 SER CB C 32 66.069 66.069 64.666 1.403 19579 5545 1 9 . 1 1 32 32 SER H H 32 7.721 7.721 7.329 0.392 19579 5546 1 9 . 1 1 33 33 ALA N N 33 126.048 126.048 125.909 0.139 19579 5547 1 9 . 1 1 33 33 ALA HA H 33 4.098 4.098 3.985 0.113 19579 5548 1 9 . 1 1 33 33 ALA C C 33 180.822 180.822 179.351 1.471 19579 5549 1 9 . 1 1 33 33 ALA CA C 33 54.741 54.741 55.215 -0.474 19579 5550 1 9 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.177 -0.148 19579 5551 1 9 . 1 1 33 33 ALA H H 33 8.980 8.980 8.856 0.124 19579 5552 1 9 . 1 1 34 34 GLU N N 34 117.978 117.978 118.300 -0.322 19579 5553 1 9 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.961 -0.026 19579 5554 1 9 . 1 1 34 34 GLU C C 34 178.560 178.560 178.954 -0.394 19579 5555 1 9 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.751 0.623 19579 5556 1 9 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.098 -0.285 19579 5557 1 9 . 1 1 34 34 GLU H H 34 8.993 8.993 8.805 0.188 19579 5558 1 9 . 1 1 35 35 ALA N N 35 123.748 123.748 121.403 2.345 19579 5559 1 9 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.086 -0.035 19579 5560 1 9 . 1 1 35 35 ALA C C 35 179.101 179.101 179.406 -0.305 19579 5561 1 9 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.794 0.625 19579 5562 1 9 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.105 1.179 19579 5563 1 9 . 1 1 35 35 ALA H H 35 7.443 7.443 7.725 -0.282 19579 5564 1 9 . 1 1 36 36 ALA N N 36 118.503 118.503 121.477 -2.974 19579 5565 1 9 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.847 -0.092 19579 5566 1 9 . 1 1 36 36 ALA C C 36 180.745 180.745 179.729 1.016 19579 5567 1 9 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.859 0.682 19579 5568 1 9 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.236 -1.210 19579 5569 1 9 . 1 1 36 36 ALA H H 36 7.484 7.484 7.728 -0.244 19579 5570 1 9 . 1 1 37 37 SER N N 37 114.688 114.688 112.901 1.787 19579 5571 1 9 . 1 1 37 37 SER HA H 37 4.170 4.170 4.254 -0.084 19579 5572 1 9 . 1 1 37 37 SER C C 37 177.214 177.214 176.247 0.967 19579 5573 1 9 . 1 1 37 37 SER CA C 37 61.628 61.628 61.540 0.088 19579 5574 1 9 . 1 1 37 37 SER CB C 37 62.653 62.653 63.405 -0.752 19579 5575 1 9 . 1 1 37 37 SER H H 37 8.178 8.178 8.370 -0.192 19579 5576 1 9 . 1 1 38 38 ARG N N 38 123.817 123.817 121.009 2.808 19579 5577 1 9 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.220 -0.216 19579 5578 1 9 . 1 1 38 38 ARG C C 38 179.564 179.564 178.118 1.446 19579 5579 1 9 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.479 2.178 19579 5580 1 9 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.528 1.285 19579 5581 1 9 . 1 1 38 38 ARG H H 38 7.882 7.882 7.398 0.484 19579 5582 1 9 . 1 1 39 39 VAL N N 39 120.446 120.446 119.542 0.904 19579 5583 1 9 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.726 -0.397 19579 5584 1 9 . 1 1 39 39 VAL C C 39 178.505 178.505 177.664 0.841 19579 5585 1 9 . 1 1 39 39 VAL CA C 39 68.194 68.194 65.950 2.244 19579 5586 1 9 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.241 0.329 19579 5587 1 9 . 1 1 39 39 VAL H H 39 8.543 8.543 8.394 0.149 19579 5588 1 9 . 1 1 40 40 SER N N 40 114.009 114.009 113.831 0.178 19579 5589 1 9 . 1 1 40 40 SER HA H 40 4.080 4.080 4.014 0.066 19579 5590 1 9 . 1 1 40 40 SER C C 40 176.340 176.340 175.988 0.352 19579 5591 1 9 . 1 1 40 40 SER CA C 40 62.940 62.940 61.965 0.975 19579 5592 1 9 . 1 1 40 40 SER CB C 40 62.953 62.953 62.644 0.309 19579 5593 1 9 . 1 1 40 40 SER H H 40 8.602 8.602 8.253 0.349 19579 5594 1 9 . 1 1 41 41 SER N N 41 114.648 114.648 114.522 0.126 19579 5595 1 9 . 1 1 41 41 SER HA H 41 4.333 4.333 4.510 -0.177 19579 5596 1 9 . 1 1 41 41 SER C C 41 174.390 174.390 174.827 -0.437 19579 5597 1 9 . 1 1 41 41 SER CA C 41 60.828 60.828 58.897 1.931 19579 5598 1 9 . 1 1 41 41 SER CB C 41 63.563 63.563 63.261 0.302 19579 5599 1 9 . 1 1 41 41 SER H H 41 8.003 8.003 7.713 0.290 19579 5600 1 9 . 1 1 42 42 ASN N N 42 117.849 117.849 119.820 -1.971 19579 5601 1 9 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.778 0.186 19579 5602 1 9 . 1 1 42 42 ASN C C 42 174.677 174.677 177.463 -2.786 19579 5603 1 9 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.602 0.761 19579 5604 1 9 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.441 1.825 19579 5605 1 9 . 1 1 42 42 ASN H H 42 7.600 7.600 7.975 -0.375 19579 5606 1 9 . 1 1 43 43 ILE N N 43 116.952 116.952 118.421 -1.469 19579 5607 1 9 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.799 -0.128 19579 5608 1 9 . 1 1 43 43 ILE C C 43 176.773 176.773 176.659 0.114 19579 5609 1 9 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.302 -0.075 19579 5610 1 9 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.190 0.220 19579 5611 1 9 . 1 1 43 43 ILE H H 43 7.336 7.336 8.588 -1.252 19579 5612 1 9 . 1 1 44 44 ALA N N 44 122.396 122.396 121.997 0.399 19579 5613 1 9 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.045 -0.009 19579 5614 1 9 . 1 1 44 44 ALA C C 44 180.304 180.304 178.555 1.749 19579 5615 1 9 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.477 0.911 19579 5616 1 9 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.117 -0.629 19579 5617 1 9 . 1 1 44 44 ALA H H 44 8.617 8.617 8.294 0.323 19579 5618 1 9 . 1 1 45 45 ALA N N 45 120.804 120.804 120.695 0.109 19579 5619 1 9 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.223 -0.170 19579 5620 1 9 . 1 1 45 45 ALA C C 45 180.591 180.591 179.736 0.855 19579 5621 1 9 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.943 0.809 19579 5622 1 9 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.460 -0.843 19579 5623 1 9 . 1 1 45 45 ALA H H 45 7.913 7.913 7.638 0.275 19579 5624 1 9 . 1 1 46 46 ILE N N 46 117.637 117.637 119.877 -2.240 19579 5625 1 9 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.859 -0.231 19579 5626 1 9 . 1 1 46 46 ILE C C 46 177.612 177.612 178.405 -0.793 19579 5627 1 9 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.455 -1.176 19579 5628 1 9 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.776 -0.116 19579 5629 1 9 . 1 1 46 46 ILE H H 46 7.313 7.313 7.506 -0.193 19579 5630 1 9 . 1 1 47 47 ALA N N 47 121.493 121.493 122.067 -0.574 19579 5631 1 9 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.144 -0.200 19579 5632 1 9 . 1 1 47 47 ALA C C 47 178.538 178.538 178.224 0.314 19579 5633 1 9 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.435 0.952 19579 5634 1 9 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.306 0.673 19579 5635 1 9 . 1 1 47 47 ALA H H 47 8.413 8.413 8.305 0.108 19579 5636 1 9 . 1 1 48 48 SER N N 48 109.024 109.024 112.331 -3.307 19579 5637 1 9 . 1 1 48 48 SER HA H 48 4.352 4.352 4.635 -0.283 19579 5638 1 9 . 1 1 48 48 SER C C 48 176.056 176.056 174.516 1.540 19579 5639 1 9 . 1 1 48 48 SER CA C 48 59.977 59.977 58.690 1.287 19579 5640 1 9 . 1 1 48 48 SER CB C 48 63.838 63.838 64.334 -0.496 19579 5641 1 9 . 1 1 48 48 SER H H 48 8.030 8.030 7.589 0.441 19579 5642 1 9 . 1 1 49 49 GLY N N 49 108.121 108.121 108.112 0.009 19579 5643 1 9 . 1 1 49 49 GLY C C 49 174.820 174.820 174.761 0.059 19579 5644 1 9 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.272 -0.079 19579 5645 1 9 . 1 1 49 49 GLY H H 49 8.048 8.048 7.611 0.437 19579 5646 1 9 . 1 1 50 50 GLY N N 50 111.955 111.955 110.610 1.345 19579 5647 1 9 . 1 1 50 50 GLY C C 50 174.975 174.975 174.207 0.768 19579 5648 1 9 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.382 -0.200 19579 5649 1 9 . 1 1 50 50 GLY H H 50 8.409 8.409 8.255 0.154 19579 5650 1 9 . 1 1 51 51 ALA N N 51 126.247 126.247 123.378 2.869 19579 5651 1 9 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.310 -0.491 19579 5652 1 9 . 1 1 51 51 ALA C C 51 179.697 179.697 179.113 0.584 19579 5653 1 9 . 1 1 51 51 ALA CA C 51 55.060 55.060 53.310 1.750 19579 5654 1 9 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.826 -1.547 19579 5655 1 9 . 1 1 51 51 ALA H H 51 9.119 9.119 7.903 1.216 19579 5656 1 9 . 1 1 52 52 SER N N 52 111.975 111.975 115.930 -3.955 19579 5657 1 9 . 1 1 52 52 SER HA H 52 4.222 4.222 4.265 -0.043 19579 5658 1 9 . 1 1 52 52 SER C C 52 174.983 174.983 175.133 -0.150 19579 5659 1 9 . 1 1 52 52 SER CA C 52 60.814 60.814 60.111 0.703 19579 5660 1 9 . 1 1 52 52 SER CB C 52 62.977 62.977 62.747 0.230 19579 5661 1 9 . 1 1 52 52 SER H H 52 8.231 8.231 8.671 -0.440 19579 5662 1 9 . 1 1 53 53 ALA N N 53 122.484 122.484 122.778 -0.294 19579 5663 1 9 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.363 0.039 19579 5664 1 9 . 1 1 53 53 ALA C C 53 177.391 177.391 178.627 -1.236 19579 5665 1 9 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.176 -1.049 19579 5666 1 9 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.514 1.432 19579 5667 1 9 . 1 1 53 53 ALA H H 53 7.602 7.602 8.052 -0.450 19579 5668 1 9 . 1 1 54 54 LEU N N 54 117.414 117.414 120.073 -2.659 19579 5669 1 9 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.067 -0.188 19579 5670 1 9 . 1 1 54 54 LEU C C 54 174.434 174.434 176.561 -2.127 19579 5671 1 9 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.908 0.407 19579 5672 1 9 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.666 -0.046 19579 5673 1 9 . 1 1 54 54 LEU H H 54 7.408 7.408 7.340 0.068 19579 5674 1 9 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.317 -0.126 19579 5675 1 9 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.474 1.460 19579 5676 1 9 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.140 -0.090 19579 5677 1 9 . 1 1 56 56 SER N N 56 113.559 113.559 111.456 2.103 19579 5678 1 9 . 1 1 56 56 SER HA H 56 4.234 4.234 4.512 -0.278 19579 5679 1 9 . 1 1 56 56 SER C C 56 176.552 176.552 174.316 2.236 19579 5680 1 9 . 1 1 56 56 SER CA C 56 61.233 61.233 59.141 2.092 19579 5681 1 9 . 1 1 56 56 SER CB C 56 62.733 62.733 62.938 -0.204 19579 5682 1 9 . 1 1 56 56 SER H H 56 7.834 7.834 8.187 -0.353 19579 5683 1 9 . 1 1 57 57 VAL N N 57 123.292 123.292 118.591 4.701 19579 5684 1 9 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.299 -0.556 19579 5685 1 9 . 1 1 57 57 VAL C C 57 178.042 178.042 176.423 1.619 19579 5686 1 9 . 1 1 57 57 VAL CA C 57 66.460 66.460 62.907 3.553 19579 5687 1 9 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.901 -2.133 19579 5688 1 9 . 1 1 57 57 VAL H H 57 8.263 8.263 7.573 0.690 19579 5689 1 9 . 1 1 58 58 ILE N N 58 118.510 118.510 121.405 -2.895 19579 5690 1 9 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.693 -0.009 19579 5691 1 9 . 1 1 58 58 ILE C C 58 176.221 176.221 177.905 -1.684 19579 5692 1 9 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.565 -1.483 19579 5693 1 9 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.827 -0.478 19579 5694 1 9 . 1 1 58 58 ILE H H 58 8.873 8.873 8.860 0.013 19579 5695 1 9 . 1 1 59 59 SER N N 59 114.238 114.238 114.019 0.219 19579 5696 1 9 . 1 1 59 59 SER HA H 59 4.305 4.305 4.555 -0.250 19579 5697 1 9 . 1 1 59 59 SER C C 59 177.534 177.534 176.134 1.400 19579 5698 1 9 . 1 1 59 59 SER CA C 59 61.586 61.586 60.736 0.850 19579 5699 1 9 . 1 1 59 59 SER CB C 59 62.951 62.951 63.121 -0.170 19579 5700 1 9 . 1 1 59 59 SER H H 59 7.388 7.388 8.239 -0.851 19579 5701 1 9 . 1 1 60 60 ASN N N 60 120.810 120.810 120.711 0.099 19579 5702 1 9 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.619 -0.259 19579 5703 1 9 . 1 1 60 60 ASN C C 60 178.616 178.616 177.817 0.799 19579 5704 1 9 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.889 0.826 19579 5705 1 9 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.257 0.739 19579 5706 1 9 . 1 1 60 60 ASN H H 60 8.147 8.147 7.740 0.407 19579 5707 1 9 . 1 1 61 61 ILE N N 61 121.116 121.116 121.377 -0.261 19579 5708 1 9 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.651 -0.130 19579 5709 1 9 . 1 1 61 61 ILE C C 61 176.972 176.972 177.787 -0.815 19579 5710 1 9 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.569 0.993 19579 5711 1 9 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.000 1.006 19579 5712 1 9 . 1 1 61 61 ILE H H 61 8.642 8.642 7.685 0.957 19579 5713 1 9 . 1 1 62 62 TYR N N 62 119.953 119.953 120.932 -0.979 19579 5714 1 9 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.008 -0.385 19579 5715 1 9 . 1 1 62 62 TYR C C 62 176.828 176.828 177.434 -0.606 19579 5716 1 9 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.366 0.717 19579 5717 1 9 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.167 0.808 19579 5718 1 9 . 1 1 62 62 TYR H H 62 9.192 9.192 8.155 1.037 19579 5719 1 9 . 1 1 63 63 SER N N 63 111.464 111.464 115.034 -3.570 19579 5720 1 9 . 1 1 63 63 SER HA H 63 4.035 4.035 4.103 -0.068 19579 5721 1 9 . 1 1 63 63 SER C C 63 177.325 177.325 176.957 0.368 19579 5722 1 9 . 1 1 63 63 SER CA C 63 62.027 62.027 62.694 -0.667 19579 5723 1 9 . 1 1 63 63 SER CB C 63 62.565 62.565 62.577 -0.012 19579 5724 1 9 . 1 1 63 63 SER H H 63 8.320 8.320 7.822 0.498 19579 5725 1 9 . 1 1 64 64 GLY N N 64 110.383 110.383 109.704 0.679 19579 5726 1 9 . 1 1 64 64 GLY C C 64 175.581 175.581 175.520 0.061 19579 5727 1 9 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.785 0.529 19579 5728 1 9 . 1 1 64 64 GLY H H 64 7.724 7.724 7.675 0.049 19579 5729 1 9 . 1 1 65 65 VAL N N 65 124.665 124.665 121.956 2.709 19579 5730 1 9 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.665 -0.421 19579 5731 1 9 . 1 1 65 65 VAL C C 65 180.072 180.072 177.537 2.535 19579 5732 1 9 . 1 1 65 65 VAL CA C 65 67.004 67.004 66.088 0.916 19579 5733 1 9 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.698 0.010 19579 5734 1 9 . 1 1 65 65 VAL H H 65 8.584 8.584 7.618 0.966 19579 5735 1 9 . 1 1 66 66 VAL N N 66 120.803 120.803 118.908 1.895 19579 5736 1 9 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.472 0.251 19579 5737 1 9 . 1 1 66 66 VAL C C 66 179.829 179.829 178.299 1.530 19579 5738 1 9 . 1 1 66 66 VAL CA C 66 66.215 66.215 66.183 0.032 19579 5739 1 9 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.224 0.531 19579 5740 1 9 . 1 1 66 66 VAL H H 66 8.305 8.305 7.763 0.542 19579 5741 1 9 . 1 1 67 67 ALA N N 67 123.266 123.266 121.698 1.568 19579 5742 1 9 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.162 0.002 19579 5743 1 9 . 1 1 67 67 ALA C C 67 178.560 178.560 178.511 0.049 19579 5744 1 9 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.369 0.055 19579 5745 1 9 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.209 -0.198 19579 5746 1 9 . 1 1 67 67 ALA H H 67 7.979 7.979 7.849 0.130 19579 5747 1 9 . 1 1 68 68 SER N N 68 112.669 112.669 114.078 -1.409 19579 5748 1 9 . 1 1 68 68 SER HA H 68 4.436 4.436 4.391 0.045 19579 5749 1 9 . 1 1 68 68 SER C C 68 174.555 174.555 175.147 -0.592 19579 5750 1 9 . 1 1 68 68 SER CA C 68 59.634 59.634 58.626 1.008 19579 5751 1 9 . 1 1 68 68 SER CB C 68 63.943 63.943 63.684 0.259 19579 5752 1 9 . 1 1 68 68 SER H H 68 7.674 7.674 7.533 0.141 19579 5753 1 9 . 1 1 69 69 GLY N N 69 109.146 109.146 109.802 -0.656 19579 5754 1 9 . 1 1 69 69 GLY C C 69 173.904 173.904 173.703 0.201 19579 5755 1 9 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.801 0.430 19579 5756 1 9 . 1 1 69 69 GLY H H 69 7.939 7.939 7.609 0.330 19579 5757 1 9 . 1 1 70 70 VAL N N 70 119.926 119.926 119.277 0.649 19579 5758 1 9 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.252 -0.342 19579 5759 1 9 . 1 1 70 70 VAL C C 70 174.997 174.997 175.668 -0.671 19579 5760 1 9 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.847 1.437 19579 5761 1 9 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.739 -1.315 19579 5762 1 9 . 1 1 70 70 VAL H H 70 6.723 6.723 7.456 -0.733 19579 5763 1 9 . 1 1 71 71 SER N N 71 120.581 120.581 119.681 0.900 19579 5764 1 9 . 1 1 71 71 SER HA H 71 4.386 4.386 4.396 -0.010 19579 5765 1 9 . 1 1 71 71 SER C C 71 175.559 175.559 174.831 0.728 19579 5766 1 9 . 1 1 71 71 SER CA C 71 58.441 58.441 58.689 -0.248 19579 5767 1 9 . 1 1 71 71 SER CB C 71 64.632 64.632 63.732 0.900 19579 5768 1 9 . 1 1 71 71 SER H H 71 8.577 8.577 8.533 0.044 19579 5769 1 9 . 1 1 72 72 SER N N 72 117.898 117.898 117.647 0.251 19579 5770 1 9 . 1 1 72 72 SER HA H 72 4.083 4.083 4.053 0.030 19579 5771 1 9 . 1 1 72 72 SER C C 72 176.255 176.255 176.180 0.075 19579 5772 1 9 . 1 1 72 72 SER CA C 72 61.586 61.586 61.967 -0.381 19579 5773 1 9 . 1 1 72 72 SER CB C 72 62.622 62.622 63.317 -0.695 19579 5774 1 9 . 1 1 72 72 SER H H 72 8.889 8.889 8.512 0.377 19579 5775 1 9 . 1 1 73 73 ASN N N 73 118.976 118.976 117.219 1.757 19579 5776 1 9 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.458 0.199 19579 5777 1 9 . 1 1 73 73 ASN C C 73 176.506 176.506 177.224 -0.718 19579 5778 1 9 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.414 0.646 19579 5779 1 9 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.203 -0.203 19579 5780 1 9 . 1 1 73 73 ASN H H 73 8.519 8.519 8.681 -0.162 19579 5781 1 9 . 1 1 74 74 GLU N N 74 118.543 118.543 118.810 -0.267 19579 5782 1 9 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.139 -0.029 19579 5783 1 9 . 1 1 74 74 GLU C C 74 176.994 176.994 177.616 -0.622 19579 5784 1 9 . 1 1 74 74 GLU CA C 74 58.026 58.026 57.933 0.093 19579 5785 1 9 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.416 1.948 19579 5786 1 9 . 1 1 74 74 GLU H H 74 7.768 7.768 8.274 -0.506 19579 5787 1 9 . 1 1 75 75 ALA N N 75 121.901 121.901 124.453 -2.552 19579 5788 1 9 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.958 -0.268 19579 5789 1 9 . 1 1 75 75 ALA C C 75 178.318 178.318 179.058 -0.740 19579 5790 1 9 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.393 -0.165 19579 5791 1 9 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.227 0.414 19579 5792 1 9 . 1 1 75 75 ALA H H 75 8.069 8.069 8.133 -0.064 19579 5793 1 9 . 1 1 76 76 LEU N N 76 117.360 117.360 118.776 -1.416 19579 5794 1 9 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.228 -0.118 19579 5795 1 9 . 1 1 76 76 LEU C C 76 177.854 177.854 178.720 -0.866 19579 5796 1 9 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.642 0.373 19579 5797 1 9 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.092 -1.324 19579 5798 1 9 . 1 1 76 76 LEU H H 76 8.121 8.121 7.454 0.667 19579 5799 1 9 . 1 1 77 77 ILE N N 77 116.714 116.714 119.155 -2.441 19579 5800 1 9 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.672 -0.220 19579 5801 1 9 . 1 1 77 77 ILE C C 77 176.883 176.883 177.921 -1.038 19579 5802 1 9 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.649 -0.391 19579 5803 1 9 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.103 -0.361 19579 5804 1 9 . 1 1 77 77 ILE H H 77 7.607 7.607 7.244 0.363 19579 5805 1 9 . 1 1 78 78 GLN N N 78 119.338 119.338 120.160 -0.822 19579 5806 1 9 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.878 -0.246 19579 5807 1 9 . 1 1 78 78 GLN C C 78 177.521 177.521 178.171 -0.650 19579 5808 1 9 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.488 0.832 19579 5809 1 9 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.561 -0.386 19579 5810 1 9 . 1 1 78 78 GLN H H 78 8.119 8.119 8.602 -0.483 19579 5811 1 9 . 1 1 79 79 ALA N N 79 119.218 119.218 121.678 -2.460 19579 5812 1 9 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.038 -0.166 19579 5813 1 9 . 1 1 79 79 ALA C C 79 179.311 179.311 179.819 -0.508 19579 5814 1 9 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.282 -0.457 19579 5815 1 9 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.269 -0.450 19579 5816 1 9 . 1 1 79 79 ALA H H 79 8.639 8.639 7.724 0.915 19579 5817 1 9 . 1 1 80 80 LEU N N 80 116.262 116.262 118.708 -2.446 19579 5818 1 9 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.027 -0.128 19579 5819 1 9 . 1 1 80 80 LEU C C 80 178.914 178.914 179.026 -0.112 19579 5820 1 9 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.213 0.798 19579 5821 1 9 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.768 -0.153 19579 5822 1 9 . 1 1 80 80 LEU H H 80 8.450 8.450 7.449 1.001 19579 5823 1 9 . 1 1 81 81 LEU N N 81 118.995 118.995 120.399 -1.404 19579 5824 1 9 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.859 0.113 19579 5825 1 9 . 1 1 81 81 LEU C C 81 180.127 180.127 179.346 0.781 19579 5826 1 9 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.226 -0.243 19579 5827 1 9 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.294 1.249 19579 5828 1 9 . 1 1 81 81 LEU H H 81 8.151 8.151 8.377 -0.226 19579 5829 1 9 . 1 1 82 82 GLU N N 82 124.890 124.890 118.630 6.260 19579 5830 1 9 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.026 -0.393 19579 5831 1 9 . 1 1 82 82 GLU C C 82 178.505 178.505 179.410 -0.905 19579 5832 1 9 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.151 2.149 19579 5833 1 9 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.473 0.306 19579 5834 1 9 . 1 1 82 82 GLU H H 82 8.659 8.659 8.249 0.410 19579 5835 1 9 . 1 1 83 83 LEU N N 83 121.487 121.487 121.289 0.198 19579 5836 1 9 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.132 -0.312 19579 5837 1 9 . 1 1 83 83 LEU C C 83 178.163 178.163 178.881 -0.718 19579 5838 1 9 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.753 0.402 19579 5839 1 9 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.395 0.239 19579 5840 1 9 . 1 1 83 83 LEU H H 83 8.658 8.658 7.485 1.173 19579 5841 1 9 . 1 1 84 84 LEU N N 84 118.904 118.904 118.118 0.786 19579 5842 1 9 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.135 -0.349 19579 5843 1 9 . 1 1 84 84 LEU C C 84 178.064 178.064 179.411 -1.347 19579 5844 1 9 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.353 1.310 19579 5845 1 9 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.445 1.760 19579 5846 1 9 . 1 1 84 84 LEU H H 84 8.803 8.803 8.402 0.401 19579 5847 1 9 . 1 1 85 85 SER N N 85 114.347 114.347 114.249 0.098 19579 5848 1 9 . 1 1 85 85 SER HA H 85 4.211 4.211 4.462 -0.251 19579 5849 1 9 . 1 1 85 85 SER C C 85 174.633 174.633 175.924 -1.291 19579 5850 1 9 . 1 1 85 85 SER CA C 85 62.957 62.957 60.140 2.817 19579 5851 1 9 . 1 1 85 85 SER CB C 85 62.947 62.947 63.450 -0.503 19579 5852 1 9 . 1 1 85 85 SER H H 85 7.879 7.879 7.835 0.044 19579 5853 1 9 . 1 1 86 86 ALA N N 86 124.206 124.206 125.509 -1.303 19579 5854 1 9 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.074 -0.304 19579 5855 1 9 . 1 1 86 86 ALA C C 86 178.538 178.538 179.317 -0.779 19579 5856 1 9 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.397 -0.031 19579 5857 1 9 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.358 -1.014 19579 5858 1 9 . 1 1 86 86 ALA H H 86 8.199 8.199 7.615 0.584 19579 5859 1 9 . 1 1 87 87 LEU N N 87 116.463 116.463 115.384 1.079 19579 5860 1 9 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.219 -0.398 19579 5861 1 9 . 1 1 87 87 LEU C C 87 178.709 178.709 178.485 0.224 19579 5862 1 9 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.677 0.677 19579 5863 1 9 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.334 2.260 19579 5864 1 9 . 1 1 87 87 LEU H H 87 8.140 8.140 7.600 0.540 19579 5865 1 9 . 1 1 88 88 VAL N N 88 118.854 118.854 120.227 -1.373 19579 5866 1 9 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.640 -0.237 19579 5867 1 9 . 1 1 88 88 VAL C C 88 177.766 177.766 178.070 -0.304 19579 5868 1 9 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.977 -0.312 19579 5869 1 9 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.290 0.157 19579 5870 1 9 . 1 1 88 88 VAL H H 88 8.716 8.716 7.733 0.983 19579 5871 1 9 . 1 1 89 89 HIS N N 89 121.227 121.227 119.268 1.959 19579 5872 1 9 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.278 -0.239 19579 5873 1 9 . 1 1 89 89 HIS C C 89 178.880 178.880 177.579 1.301 19579 5874 1 9 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.907 1.415 19579 5875 1 9 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.274 1.474 19579 5876 1 9 . 1 1 89 89 HIS H H 89 8.664 8.664 7.753 0.911 19579 5877 1 9 . 1 1 90 90 VAL N N 90 118.094 118.094 116.778 1.316 19579 5878 1 9 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.852 -0.285 19579 5879 1 9 . 1 1 90 90 VAL C C 90 177.733 177.733 177.601 0.132 19579 5880 1 9 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.187 1.643 19579 5881 1 9 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.790 -0.190 19579 5882 1 9 . 1 1 90 90 VAL H H 90 7.994 7.994 7.507 0.487 19579 5883 1 9 . 1 1 91 91 LEU N N 91 119.672 119.672 120.366 -0.694 19579 5884 1 9 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.087 -0.255 19579 5885 1 9 . 1 1 91 91 LEU C C 91 178.869 178.869 178.979 -0.110 19579 5886 1 9 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.497 0.261 19579 5887 1 9 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.222 1.717 19579 5888 1 9 . 1 1 91 91 LEU H H 91 8.393 8.393 8.246 0.147 19579 5889 1 9 . 1 1 92 92 SER N N 92 113.554 113.554 113.479 0.075 19579 5890 1 9 . 1 1 92 92 SER HA H 92 4.297 4.297 4.206 0.091 19579 5891 1 9 . 1 1 92 92 SER C C 92 174.500 174.500 175.690 -1.190 19579 5892 1 9 . 1 1 92 92 SER CA C 92 61.410 61.410 60.746 0.664 19579 5893 1 9 . 1 1 92 92 SER CB C 92 63.254 63.254 63.083 0.171 19579 5894 1 9 . 1 1 92 92 SER H H 92 7.900 7.900 7.609 0.291 19579 5895 1 9 . 1 1 93 93 SER N N 93 115.055 115.055 114.890 0.165 19579 5896 1 9 . 1 1 93 93 SER HA H 93 4.704 4.704 4.551 0.153 19579 5897 1 9 . 1 1 93 93 SER C C 93 173.044 173.044 175.077 -2.033 19579 5898 1 9 . 1 1 93 93 SER CA C 93 57.967 57.967 58.772 -0.805 19579 5899 1 9 . 1 1 93 93 SER CB C 93 64.574 64.574 63.719 0.855 19579 5900 1 9 . 1 1 93 93 SER H H 93 7.420 7.420 7.621 -0.201 19579 5901 1 9 . 1 1 94 94 ALA N N 94 124.504 124.504 125.223 -0.719 19579 5902 1 9 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.265 0.364 19579 5903 1 9 . 1 1 94 94 ALA C C 94 176.199 176.199 177.443 -1.244 19579 5904 1 9 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.326 -1.857 19579 5905 1 9 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.888 2.732 19579 5906 1 9 . 1 1 94 94 ALA H H 94 7.476 7.476 7.112 0.364 19579 5907 1 9 . 1 1 95 95 SER N N 95 115.739 115.739 112.317 3.422 19579 5908 1 9 . 1 1 95 95 SER HA H 95 4.758 4.758 4.077 0.681 19579 5909 1 9 . 1 1 95 95 SER C C 95 174.136 174.136 173.658 0.478 19579 5910 1 9 . 1 1 95 95 SER CA C 95 57.343 57.343 58.752 -1.409 19579 5911 1 9 . 1 1 95 95 SER CB C 95 63.303 63.303 61.090 2.213 19579 5912 1 9 . 1 1 95 95 SER H H 95 8.483 8.483 7.870 0.613 19579 5913 1 9 . 1 1 96 96 ILE N N 96 128.288 128.288 119.850 8.438 19579 5914 1 9 . 1 1 96 96 ILE HA H 96 3.993 3.993 3.959 0.034 19579 5915 1 9 . 1 1 96 96 ILE C C 96 175.868 175.868 175.805 0.063 19579 5916 1 9 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.161 -0.799 19579 5917 1 9 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.667 -1.054 19579 5918 1 9 . 1 1 96 96 ILE H H 96 8.869 8.869 7.941 0.928 19579 5919 1 9 . 1 1 97 97 GLY N N 97 115.495 115.495 114.405 1.090 19579 5920 1 9 . 1 1 97 97 GLY C C 97 173.022 173.022 173.070 -0.048 19579 5921 1 9 . 1 1 97 97 GLY CA C 97 44.870 44.870 43.656 1.214 19579 5922 1 9 . 1 1 97 97 GLY H H 97 8.272 8.272 8.322 -0.050 19579 5923 1 9 . 1 1 98 98 ASN N N 98 120.819 120.819 119.088 1.731 19579 5924 1 9 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.770 -0.122 19579 5925 1 9 . 1 1 98 98 ASN C C 98 174.809 174.809 175.516 -0.707 19579 5926 1 9 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.484 0.942 19579 5927 1 9 . 1 1 98 98 ASN CB C 98 38.665 38.665 38.869 -0.204 19579 5928 1 9 . 1 1 98 98 ASN H H 98 8.420 8.420 8.160 0.260 19579 5929 1 9 . 1 1 99 99 VAL N N 99 122.960 122.960 125.341 -2.381 19579 5930 1 9 . 1 1 99 99 VAL HA H 99 4.174 4.174 3.965 0.209 19579 5931 1 9 . 1 1 99 99 VAL C C 99 174.500 174.500 176.538 -2.038 19579 5932 1 9 . 1 1 99 99 VAL CA C 99 61.368 61.368 63.225 -1.857 19579 5933 1 9 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.031 1.375 19579 5934 1 9 . 1 1 99 99 VAL H H 99 8.292 8.292 7.936 0.356 19579 5935 1 9 . 1 1 100 100 SER N N 100 120.723 120.723 121.418 -0.695 19579 5936 1 9 . 1 1 100 100 SER HA H 100 4.756 4.756 4.612 0.144 19579 5937 1 9 . 1 1 100 100 SER C C 100 174.235 174.235 174.563 -0.328 19579 5938 1 9 . 1 1 100 100 SER CA C 100 56.687 56.687 57.757 -1.070 19579 5939 1 9 . 1 1 100 100 SER CB C 100 64.904 64.904 63.863 1.041 19579 5940 1 9 . 1 1 100 100 SER H H 100 8.644 8.644 8.450 0.194 19579 5941 1 9 . 1 1 101 101 SER N N 101 117.236 117.236 117.565 -0.329 19579 5942 1 9 . 1 1 101 101 SER HA H 101 4.130 4.130 4.638 -0.508 19579 5943 1 9 . 1 1 101 101 SER CA C 101 59.000 59.000 57.870 1.131 19579 5944 1 9 . 1 1 101 101 SER CB C 101 63.104 63.104 63.501 -0.397 19579 5945 1 9 . 1 1 102 102 VAL N N 102 124.874 124.874 121.625 3.249 19579 5946 1 9 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.203 -0.382 19579 5947 1 9 . 1 1 102 102 VAL C C 102 177.545 177.545 175.532 2.013 19579 5948 1 9 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.945 2.637 19579 5949 1 9 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.306 -0.826 19579 5950 1 9 . 1 1 102 102 VAL H H 102 8.090 8.090 7.249 0.841 19579 5951 1 9 . 1 1 103 103 GLY N N 103 114.589 114.589 114.872 -0.283 19579 5952 1 9 . 1 1 103 103 GLY C C 103 176.387 176.387 175.523 0.864 19579 5953 1 9 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.912 0.774 19579 5954 1 9 . 1 1 103 103 GLY H H 103 9.051 9.051 8.614 0.437 19579 5955 1 9 . 1 1 104 104 VAL N N 104 121.976 121.976 121.814 0.162 19579 5956 1 9 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.705 -0.357 19579 5957 1 9 . 1 1 104 104 VAL C C 104 176.045 176.045 176.875 -0.830 19579 5958 1 9 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.462 1.427 19579 5959 1 9 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.197 0.068 19579 5960 1 9 . 1 1 104 104 VAL H H 104 7.753 7.753 8.250 -0.497 19579 5961 1 9 . 1 1 105 105 ASP N N 105 117.868 117.868 119.395 -1.527 19579 5962 1 9 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.286 -0.135 19579 5963 1 9 . 1 1 105 105 ASP C C 105 178.406 178.406 177.944 0.462 19579 5964 1 9 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.726 -1.016 19579 5965 1 9 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.833 -2.181 19579 5966 1 9 . 1 1 105 105 ASP H H 105 8.719 8.719 8.642 0.077 19579 5967 1 9 . 1 1 106 106 SER N N 106 117.500 117.500 112.927 4.573 19579 5968 1 9 . 1 1 106 106 SER HA H 106 4.306 4.306 4.363 -0.057 19579 5969 1 9 . 1 1 106 106 SER C C 106 176.784 176.784 176.469 0.315 19579 5970 1 9 . 1 1 106 106 SER CA C 106 61.523 61.523 60.608 0.915 19579 5971 1 9 . 1 1 106 106 SER CB C 106 62.480 62.480 63.136 -0.656 19579 5972 1 9 . 1 1 106 106 SER H H 106 7.685 7.685 7.680 0.005 19579 5973 1 9 . 1 1 107 107 THR N N 107 121.741 121.741 119.065 2.676 19579 5974 1 9 . 1 1 107 107 THR HA H 107 4.373 4.373 4.117 0.256 19579 5975 1 9 . 1 1 107 107 THR C C 107 176.227 176.227 176.536 -0.309 19579 5976 1 9 . 1 1 107 107 THR CA C 107 66.648 66.648 65.889 0.758 19579 5977 1 9 . 1 1 107 107 THR CB C 107 66.884 66.884 68.654 -1.770 19579 5978 1 9 . 1 1 107 107 THR H H 107 8.024 8.024 7.308 0.716 19579 5979 1 9 . 1 1 108 108 LEU N N 108 122.175 122.175 120.200 1.975 19579 5980 1 9 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.078 -0.162 19579 5981 1 9 . 1 1 108 108 LEU C C 108 178.560 178.560 178.028 0.532 19579 5982 1 9 . 1 1 108 108 LEU CA C 108 59.169 59.169 56.798 2.371 19579 5983 1 9 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.344 -0.315 19579 5984 1 9 . 1 1 108 108 LEU H H 108 8.475 8.475 8.285 0.190 19579 5985 1 9 . 1 1 109 109 ASN N N 109 116.499 116.499 118.035 -1.536 19579 5986 1 9 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.481 0.005 19579 5987 1 9 . 1 1 109 109 ASN C C 109 177.181 177.181 177.049 0.132 19579 5988 1 9 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.996 0.503 19579 5989 1 9 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.627 0.358 19579 5990 1 9 . 1 1 109 109 ASN H H 109 7.567 7.567 7.401 0.166 19579 5991 1 9 . 1 1 110 110 VAL N N 110 121.382 121.382 120.506 0.876 19579 5992 1 9 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.881 -0.004 19579 5993 1 9 . 1 1 110 110 VAL C C 110 180.116 180.116 177.696 2.420 19579 5994 1 9 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.237 0.999 19579 5995 1 9 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.442 0.118 19579 5996 1 9 . 1 1 110 110 VAL H H 110 7.978 7.978 7.454 0.524 19579 5997 1 9 . 1 1 111 111 VAL N N 111 123.748 123.748 120.302 3.446 19579 5998 1 9 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.898 -0.540 19579 5999 1 9 . 1 1 111 111 VAL C C 111 177.424 177.424 177.196 0.228 19579 6000 1 9 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.838 3.344 19579 6001 1 9 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.879 -0.773 19579 6002 1 9 . 1 1 111 111 VAL H H 111 8.228 8.228 7.484 0.744 19579 6003 1 9 . 1 1 112 112 GLN N N 112 120.331 120.331 118.958 1.373 19579 6004 1 9 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.961 -0.363 19579 6005 1 9 . 1 1 112 112 GLN C C 112 178.329 178.329 178.354 -0.025 19579 6006 1 9 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.247 1.062 19579 6007 1 9 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.350 1.791 19579 6008 1 9 . 1 1 112 112 GLN H H 112 8.719 8.719 7.571 1.148 19579 6009 1 9 . 1 1 113 113 ASP N N 113 117.931 117.931 117.379 0.552 19579 6010 1 9 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.504 -0.154 19579 6011 1 9 . 1 1 113 113 ASP C C 113 178.406 178.406 177.343 1.063 19579 6012 1 9 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.355 0.674 19579 6013 1 9 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.998 0.296 19579 6014 1 9 . 1 1 113 113 ASP H H 113 8.410 8.410 7.711 0.699 19579 6015 1 9 . 1 1 114 114 SER N N 114 113.798 113.798 113.240 0.558 19579 6016 1 9 . 1 1 114 114 SER HA H 114 4.310 4.310 4.443 -0.133 19579 6017 1 9 . 1 1 114 114 SER C C 114 175.416 175.416 175.656 -0.240 19579 6018 1 9 . 1 1 114 114 SER CA C 114 61.981 61.981 60.166 1.815 19579 6019 1 9 . 1 1 114 114 SER CB C 114 63.618 63.618 64.668 -1.050 19579 6020 1 9 . 1 1 114 114 SER H H 114 7.973 7.973 7.521 0.452 19579 6021 1 9 . 1 1 115 115 VAL N N 115 115.306 115.306 121.507 -6.201 19579 6022 1 9 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.400 -0.193 19579 6023 1 9 . 1 1 115 115 VAL C C 115 177.325 177.325 177.126 0.199 19579 6024 1 9 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.427 0.837 19579 6025 1 9 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.270 0.097 19579 6026 1 9 . 1 1 115 115 VAL H H 115 8.090 8.090 7.762 0.328 19579 6027 1 9 . 1 1 116 116 GLY N N 116 107.952 107.952 109.375 -1.423 19579 6028 1 9 . 1 1 116 116 GLY C C 116 175.129 175.129 174.789 0.340 19579 6029 1 9 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.610 0.220 19579 6030 1 9 . 1 1 116 116 GLY H H 116 7.991 7.991 8.088 -0.097 19579 6031 1 9 . 1 1 117 117 GLN N N 117 116.191 116.191 118.273 -2.082 19579 6032 1 9 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.983 0.070 19579 6033 1 9 . 1 1 117 117 GLN C C 117 176.056 176.056 176.299 -0.243 19579 6034 1 9 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.447 -0.391 19579 6035 1 9 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.626 0.866 19579 6036 1 9 . 1 1 117 117 GLN H H 117 7.721 7.721 8.047 -0.326 19579 6037 1 9 . 1 1 118 118 TYR N N 118 116.504 116.504 119.065 -2.561 19579 6038 1 9 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.386 -0.160 19579 6039 1 9 . 1 1 118 118 TYR C C 118 174.919 174.919 177.519 -2.600 19579 6040 1 9 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.606 -0.955 19579 6041 1 9 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.568 -0.577 19579 6042 1 9 . 1 1 118 118 TYR H H 118 7.685 7.685 7.901 -0.216 19579 6043 1 9 . 1 1 119 119 VAL N N 119 115.145 115.145 118.081 -2.936 19579 6044 1 9 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.023 0.171 19579 6045 1 9 . 1 1 119 119 VAL C C 119 174.666 174.666 177.104 -2.438 19579 6046 1 9 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.867 -1.905 19579 6047 1 9 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.962 0.655 19579 6048 1 9 . 1 1 119 119 VAL H H 119 7.132 7.132 7.714 -0.582 19579 6049 1 10 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.966 -0.090 19579 6050 1 10 . 1 1 -2 -2 ASN N N -2 118.808 118.808 120.158 -1.350 19579 6051 1 10 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.363 0.821 19579 6052 1 10 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.709 0.690 19579 6053 1 10 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.680 -0.373 19579 6054 1 10 . 1 1 2 2 THR N N 2 116.876 116.876 119.419 -2.543 19579 6055 1 10 . 1 1 2 2 THR HA H 2 4.348 4.348 4.488 -0.140 19579 6056 1 10 . 1 1 2 2 THR C C 2 174.600 174.600 174.440 0.160 19579 6057 1 10 . 1 1 2 2 THR CA C 2 61.785 61.785 61.301 0.484 19579 6058 1 10 . 1 1 2 2 THR CB C 2 69.800 69.800 69.815 -0.015 19579 6059 1 10 . 1 1 2 2 THR H H 2 8.176 8.176 8.357 -0.181 19579 6060 1 10 . 1 1 3 3 SER N N 3 117.968 117.968 117.880 0.088 19579 6061 1 10 . 1 1 3 3 SER C C 3 174.732 174.732 174.348 0.384 19579 6062 1 10 . 1 1 3 3 SER CA C 3 58.585 58.585 58.485 0.100 19579 6063 1 10 . 1 1 3 3 SER H H 3 8.248 8.248 8.598 -0.350 19579 6064 1 10 . 1 1 5 5 GLY N N 5 108.381 108.381 108.018 0.363 19579 6065 1 10 . 1 1 5 5 GLY C C 5 173.728 173.728 173.546 0.182 19579 6066 1 10 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.620 0.595 19579 6067 1 10 . 1 1 5 5 GLY H H 5 8.134 8.134 8.417 -0.283 19579 6068 1 10 . 1 1 6 6 TYR N N 6 120.011 120.011 121.000 -0.989 19579 6069 1 10 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.719 -0.255 19579 6070 1 10 . 1 1 6 6 TYR C C 6 176.232 176.232 175.532 0.700 19579 6071 1 10 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.307 0.868 19579 6072 1 10 . 1 1 6 6 TYR CB C 6 38.764 38.764 40.025 -1.261 19579 6073 1 10 . 1 1 6 6 TYR H H 6 8.096 8.096 7.858 0.238 19579 6074 1 10 . 1 1 7 7 GLY N N 7 110.530 110.530 108.659 1.871 19579 6075 1 10 . 1 1 7 7 GLY C C 7 173.772 173.772 173.186 0.586 19579 6076 1 10 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.054 0.168 19579 6077 1 10 . 1 1 7 7 GLY H H 7 8.283 8.283 8.325 -0.042 19579 6078 1 10 . 1 1 8 8 TYR N N 8 120.132 120.132 122.766 -2.634 19579 6079 1 10 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.591 -0.108 19579 6080 1 10 . 1 1 8 8 TYR C C 8 176.420 176.420 176.406 0.014 19579 6081 1 10 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.658 0.676 19579 6082 1 10 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.081 -0.336 19579 6083 1 10 . 1 1 8 8 TYR H H 8 7.987 7.987 8.335 -0.348 19579 6084 1 10 . 1 1 9 9 GLY N N 9 110.831 110.831 111.726 -0.895 19579 6085 1 10 . 1 1 9 9 GLY C C 9 174.335 174.335 174.658 -0.323 19579 6086 1 10 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.993 0.456 19579 6087 1 10 . 1 1 9 9 GLY H H 9 8.400 8.400 8.800 -0.400 19579 6088 1 10 . 1 1 10 10 THR N N 10 113.216 113.216 112.052 1.164 19579 6089 1 10 . 1 1 10 10 THR HA H 10 4.366 4.366 4.358 0.008 19579 6090 1 10 . 1 1 10 10 THR C C 10 174.721 174.721 176.201 -1.480 19579 6091 1 10 . 1 1 10 10 THR CA C 10 61.829 61.829 62.162 -0.333 19579 6092 1 10 . 1 1 10 10 THR CB C 10 69.881 69.881 69.144 0.737 19579 6093 1 10 . 1 1 10 10 THR H H 10 8.012 8.012 7.877 0.135 19579 6094 1 10 . 1 1 11 11 SER N N 11 117.904 117.904 119.858 -1.954 19579 6095 1 10 . 1 1 11 11 SER HA H 11 4.414 4.414 4.476 -0.062 19579 6096 1 10 . 1 1 11 11 SER C C 11 174.335 174.335 173.455 0.880 19579 6097 1 10 . 1 1 11 11 SER CA C 11 58.363 58.363 58.943 -0.580 19579 6098 1 10 . 1 1 11 11 SER CB C 11 63.911 63.911 62.096 1.815 19579 6099 1 10 . 1 1 11 11 SER H H 11 8.342 8.342 8.598 -0.256 19579 6100 1 10 . 1 1 12 12 ALA N N 12 126.003 126.003 122.144 3.859 19579 6101 1 10 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.629 -0.391 19579 6102 1 10 . 1 1 12 12 ALA C C 12 177.468 177.468 176.992 0.476 19579 6103 1 10 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.293 1.479 19579 6104 1 10 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.375 -0.287 19579 6105 1 10 . 1 1 12 12 ALA H H 12 8.274 8.274 7.538 0.736 19579 6106 1 10 . 1 1 13 13 ALA N N 13 122.954 122.954 122.993 -0.039 19579 6107 1 10 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.484 -0.259 19579 6108 1 10 . 1 1 13 13 ALA C C 13 178.207 178.207 177.289 0.918 19579 6109 1 10 . 1 1 13 13 ALA CA C 13 52.579 52.579 50.993 1.586 19579 6110 1 10 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.059 -0.768 19579 6111 1 10 . 1 1 13 13 ALA H H 13 8.121 8.121 7.882 0.239 19579 6112 1 10 . 1 1 14 14 ALA N N 14 123.733 123.733 123.236 0.497 19579 6113 1 10 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.397 -0.140 19579 6114 1 10 . 1 1 14 14 ALA C C 14 178.227 178.227 177.234 0.993 19579 6115 1 10 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.995 0.754 19579 6116 1 10 . 1 1 14 14 ALA CB C 14 19.276 19.276 17.993 1.283 19579 6117 1 10 . 1 1 14 14 ALA H H 14 8.262 8.262 8.423 -0.161 19579 6118 1 10 . 1 1 15 15 GLY N N 15 108.014 108.014 109.621 -1.607 19579 6119 1 10 . 1 1 15 15 GLY C C 15 173.849 173.849 173.030 0.819 19579 6120 1 10 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.781 0.530 19579 6121 1 10 . 1 1 15 15 GLY H H 15 8.239 8.239 8.073 0.166 19579 6122 1 10 . 1 1 16 16 ALA N N 16 123.529 123.529 121.588 1.941 19579 6123 1 10 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.456 -0.158 19579 6124 1 10 . 1 1 16 16 ALA C C 16 178.108 178.108 176.618 1.490 19579 6125 1 10 . 1 1 16 16 ALA CA C 16 52.711 52.711 52.915 -0.204 19579 6126 1 10 . 1 1 16 16 ALA CB C 16 19.316 19.316 18.977 0.339 19579 6127 1 10 . 1 1 16 16 ALA H H 16 8.102 8.102 8.270 -0.168 19579 6128 1 10 . 1 1 17 17 GLY N N 17 108.099 108.099 107.501 0.598 19579 6129 1 10 . 1 1 17 17 GLY C C 17 174.081 174.081 174.393 -0.312 19579 6130 1 10 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.151 0.084 19579 6131 1 10 . 1 1 17 17 GLY H H 17 8.356 8.356 8.365 -0.009 19579 6132 1 10 . 1 1 18 18 VAL N N 18 119.220 119.220 121.762 -2.542 19579 6133 1 10 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.275 -0.208 19579 6134 1 10 . 1 1 18 18 VAL C C 18 175.946 175.946 175.802 0.144 19579 6135 1 10 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.414 0.869 19579 6136 1 10 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.828 -0.064 19579 6137 1 10 . 1 1 18 18 VAL H H 18 7.899 7.899 7.569 0.330 19579 6138 1 10 . 1 1 19 19 ALA N N 19 127.804 127.804 122.779 5.025 19579 6139 1 10 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.523 0.764 19579 6140 1 10 . 1 1 19 19 ALA C C 19 177.303 177.303 175.895 1.408 19579 6141 1 10 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.447 -0.987 19579 6142 1 10 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.334 1.965 19579 6143 1 10 . 1 1 19 19 ALA H H 19 8.377 8.377 8.265 0.112 19579 6144 1 10 . 1 1 20 20 ALA N N 20 123.602 123.602 120.403 3.199 19579 6145 1 10 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.606 -0.327 19579 6146 1 10 . 1 1 20 20 ALA C C 20 178.086 178.086 177.706 0.380 19579 6147 1 10 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.530 2.222 19579 6148 1 10 . 1 1 20 20 ALA CB C 20 19.315 19.315 19.362 -0.047 19579 6149 1 10 . 1 1 20 20 ALA H H 20 8.261 8.261 7.871 0.390 19579 6150 1 10 . 1 1 21 21 GLY N N 21 108.033 108.033 113.846 -5.813 19579 6151 1 10 . 1 1 21 21 GLY C C 21 174.213 174.213 175.439 -1.226 19579 6152 1 10 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.651 -1.360 19579 6153 1 10 . 1 1 21 21 GLY H H 21 8.323 8.323 9.335 -1.012 19579 6154 1 10 . 1 1 22 22 SER N N 22 115.596 115.596 122.294 -6.698 19579 6155 1 10 . 1 1 22 22 SER HA H 22 4.369 4.369 4.633 -0.264 19579 6156 1 10 . 1 1 22 22 SER C C 22 175.328 175.328 173.090 2.238 19579 6157 1 10 . 1 1 22 22 SER CA C 22 58.686 58.686 57.699 0.987 19579 6158 1 10 . 1 1 22 22 SER CB C 22 63.915 63.915 62.483 1.432 19579 6159 1 10 . 1 1 22 22 SER H H 22 8.118 8.118 8.326 -0.208 19579 6160 1 10 . 1 1 23 23 TYR N N 23 121.490 121.490 117.360 4.130 19579 6161 1 10 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.093 -0.324 19579 6162 1 10 . 1 1 23 23 TYR C C 23 175.890 175.890 174.882 1.008 19579 6163 1 10 . 1 1 23 23 TYR CA C 23 57.724 57.724 55.912 1.812 19579 6164 1 10 . 1 1 23 23 TYR CB C 23 37.863 37.863 40.032 -2.169 19579 6165 1 10 . 1 1 23 23 TYR H H 23 8.620 8.620 7.110 1.510 19579 6166 1 10 . 1 1 24 24 ALA N N 24 121.940 121.940 125.533 -3.593 19579 6167 1 10 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.766 -0.885 19579 6168 1 10 . 1 1 24 24 ALA C C 24 179.366 179.366 177.541 1.825 19579 6169 1 10 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.332 3.061 19579 6170 1 10 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.842 -1.302 19579 6171 1 10 . 1 1 24 24 ALA H H 24 8.127 8.127 9.032 -0.905 19579 6172 1 10 . 1 1 25 25 GLY N N 25 106.527 106.527 109.277 -2.750 19579 6173 1 10 . 1 1 25 25 GLY C C 25 175.074 175.074 175.201 -0.127 19579 6174 1 10 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.981 0.216 19579 6175 1 10 . 1 1 25 25 GLY H H 25 8.647 8.647 8.417 0.230 19579 6176 1 10 . 1 1 26 26 ALA N N 26 122.752 122.752 125.242 -2.490 19579 6177 1 10 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.296 -0.269 19579 6178 1 10 . 1 1 26 26 ALA C C 26 177.490 177.490 179.795 -2.305 19579 6179 1 10 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.106 -0.570 19579 6180 1 10 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.271 0.705 19579 6181 1 10 . 1 1 26 26 ALA H H 26 7.552 7.552 8.573 -1.021 19579 6182 1 10 . 1 1 27 27 VAL N N 27 113.110 113.110 114.140 -1.030 19579 6183 1 10 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.613 -0.152 19579 6184 1 10 . 1 1 27 27 VAL C C 27 179.366 179.366 177.308 2.058 19579 6185 1 10 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.324 0.239 19579 6186 1 10 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.560 0.535 19579 6187 1 10 . 1 1 27 27 VAL H H 27 7.283 7.283 7.884 -0.601 19579 6188 1 10 . 1 1 28 28 ASN N N 28 119.671 119.671 119.237 0.434 19579 6189 1 10 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.492 -0.137 19579 6190 1 10 . 1 1 28 28 ASN C C 28 177.667 177.667 177.955 -0.288 19579 6191 1 10 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.806 0.285 19579 6192 1 10 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.140 0.180 19579 6193 1 10 . 1 1 28 28 ASN H H 28 8.374 8.374 7.884 0.490 19579 6194 1 10 . 1 1 29 29 ARG N N 29 116.957 116.957 119.101 -2.144 19579 6195 1 10 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.128 -0.010 19579 6196 1 10 . 1 1 29 29 ARG C C 29 177.457 177.457 177.699 -0.242 19579 6197 1 10 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.203 0.492 19579 6198 1 10 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.831 0.306 19579 6199 1 10 . 1 1 29 29 ARG H H 29 7.860 7.860 8.163 -0.303 19579 6200 1 10 . 1 1 30 30 LEU N N 30 121.060 121.060 118.974 2.086 19579 6201 1 10 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.162 -0.208 19579 6202 1 10 . 1 1 30 30 LEU C C 30 174.975 174.975 178.440 -3.465 19579 6203 1 10 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.226 -0.004 19579 6204 1 10 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.723 -0.765 19579 6205 1 10 . 1 1 30 30 LEU H H 30 7.524 7.524 7.564 -0.040 19579 6206 1 10 . 1 1 31 31 SER N N 31 106.764 106.764 112.896 -6.132 19579 6207 1 10 . 1 1 31 31 SER HA H 31 4.523 4.523 4.452 0.071 19579 6208 1 10 . 1 1 31 31 SER C C 31 174.666 174.666 173.786 0.880 19579 6209 1 10 . 1 1 31 31 SER CA C 31 57.680 57.680 58.447 -0.767 19579 6210 1 10 . 1 1 31 31 SER CB C 31 63.290 63.290 61.575 1.715 19579 6211 1 10 . 1 1 31 31 SER H H 31 7.046 7.046 8.016 -0.970 19579 6212 1 10 . 1 1 32 32 SER N N 32 117.235 117.235 115.392 1.843 19579 6213 1 10 . 1 1 32 32 SER HA H 32 4.383 4.383 4.712 -0.329 19579 6214 1 10 . 1 1 32 32 SER C C 32 174.677 174.677 174.401 0.276 19579 6215 1 10 . 1 1 32 32 SER CA C 32 58.027 58.027 56.538 1.489 19579 6216 1 10 . 1 1 32 32 SER CB C 32 66.069 66.069 64.059 2.010 19579 6217 1 10 . 1 1 32 32 SER H H 32 7.721 7.721 7.659 0.062 19579 6218 1 10 . 1 1 33 33 ALA N N 33 126.048 126.048 123.326 2.722 19579 6219 1 10 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.281 -0.183 19579 6220 1 10 . 1 1 33 33 ALA C C 33 180.822 180.822 179.441 1.381 19579 6221 1 10 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.453 0.289 19579 6222 1 10 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.726 -0.697 19579 6223 1 10 . 1 1 33 33 ALA H H 33 8.980 8.980 8.741 0.239 19579 6224 1 10 . 1 1 34 34 GLU N N 34 117.978 117.978 120.085 -2.107 19579 6225 1 10 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.868 0.067 19579 6226 1 10 . 1 1 34 34 GLU C C 34 178.560 178.560 178.571 -0.011 19579 6227 1 10 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.197 1.177 19579 6228 1 10 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.301 -0.488 19579 6229 1 10 . 1 1 34 34 GLU H H 34 8.993 8.993 7.969 1.024 19579 6230 1 10 . 1 1 35 35 ALA N N 35 123.748 123.748 121.681 2.067 19579 6231 1 10 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.309 -0.258 19579 6232 1 10 . 1 1 35 35 ALA C C 35 179.101 179.101 179.560 -0.459 19579 6233 1 10 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.909 0.510 19579 6234 1 10 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.364 0.920 19579 6235 1 10 . 1 1 35 35 ALA H H 35 7.443 7.443 7.826 -0.383 19579 6236 1 10 . 1 1 36 36 ALA N N 36 118.503 118.503 119.978 -1.475 19579 6237 1 10 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.851 -0.096 19579 6238 1 10 . 1 1 36 36 ALA C C 36 180.745 180.745 179.168 1.577 19579 6239 1 10 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.062 0.479 19579 6240 1 10 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.160 -1.134 19579 6241 1 10 . 1 1 36 36 ALA H H 36 7.484 7.484 7.848 -0.364 19579 6242 1 10 . 1 1 37 37 SER N N 37 114.688 114.688 113.887 0.801 19579 6243 1 10 . 1 1 37 37 SER HA H 37 4.170 4.170 4.382 -0.212 19579 6244 1 10 . 1 1 37 37 SER C C 37 177.214 177.214 176.342 0.872 19579 6245 1 10 . 1 1 37 37 SER CA C 37 61.628 61.628 60.584 1.044 19579 6246 1 10 . 1 1 37 37 SER CB C 37 62.653 62.653 63.312 -0.659 19579 6247 1 10 . 1 1 37 37 SER H H 37 8.178 8.178 7.754 0.424 19579 6248 1 10 . 1 1 38 38 ARG N N 38 123.817 123.817 121.307 2.510 19579 6249 1 10 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.142 -0.138 19579 6250 1 10 . 1 1 38 38 ARG C C 38 179.564 179.564 178.376 1.188 19579 6251 1 10 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.348 1.309 19579 6252 1 10 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.546 1.267 19579 6253 1 10 . 1 1 38 38 ARG H H 38 7.882 7.882 7.985 -0.103 19579 6254 1 10 . 1 1 39 39 VAL N N 39 120.446 120.446 118.413 2.033 19579 6255 1 10 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.713 -0.384 19579 6256 1 10 . 1 1 39 39 VAL C C 39 178.505 178.505 177.551 0.954 19579 6257 1 10 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.498 1.696 19579 6258 1 10 . 1 1 39 39 VAL CB C 39 31.570 31.570 32.003 -0.433 19579 6259 1 10 . 1 1 39 39 VAL H H 39 8.543 8.543 8.406 0.137 19579 6260 1 10 . 1 1 40 40 SER N N 40 114.009 114.009 115.118 -1.109 19579 6261 1 10 . 1 1 40 40 SER HA H 40 4.080 4.080 4.025 0.055 19579 6262 1 10 . 1 1 40 40 SER C C 40 176.340 176.340 176.469 -0.129 19579 6263 1 10 . 1 1 40 40 SER CA C 40 62.940 62.940 61.904 1.036 19579 6264 1 10 . 1 1 40 40 SER CB C 40 62.953 62.953 62.619 0.334 19579 6265 1 10 . 1 1 40 40 SER H H 40 8.602 8.602 7.730 0.872 19579 6266 1 10 . 1 1 41 41 SER N N 41 114.648 114.648 116.312 -1.664 19579 6267 1 10 . 1 1 41 41 SER HA H 41 4.333 4.333 4.445 -0.112 19579 6268 1 10 . 1 1 41 41 SER C C 41 174.390 174.390 175.321 -0.931 19579 6269 1 10 . 1 1 41 41 SER CA C 41 60.828 60.828 60.387 0.441 19579 6270 1 10 . 1 1 41 41 SER CB C 41 63.563 63.563 63.274 0.289 19579 6271 1 10 . 1 1 41 41 SER H H 41 8.003 8.003 7.774 0.229 19579 6272 1 10 . 1 1 42 42 ASN N N 42 117.849 117.849 119.439 -1.590 19579 6273 1 10 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.928 0.036 19579 6274 1 10 . 1 1 42 42 ASN C C 42 174.677 174.677 176.781 -2.104 19579 6275 1 10 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.355 1.008 19579 6276 1 10 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.094 2.172 19579 6277 1 10 . 1 1 42 42 ASN H H 42 7.600 7.600 7.909 -0.309 19579 6278 1 10 . 1 1 43 43 ILE N N 43 116.952 116.952 118.145 -1.193 19579 6279 1 10 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.810 -0.139 19579 6280 1 10 . 1 1 43 43 ILE C C 43 176.773 176.773 176.835 -0.062 19579 6281 1 10 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.346 -0.119 19579 6282 1 10 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.289 0.121 19579 6283 1 10 . 1 1 43 43 ILE H H 43 7.336 7.336 8.540 -1.204 19579 6284 1 10 . 1 1 44 44 ALA N N 44 122.396 122.396 121.835 0.561 19579 6285 1 10 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.948 0.088 19579 6286 1 10 . 1 1 44 44 ALA C C 44 180.304 180.304 178.617 1.687 19579 6287 1 10 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.756 0.632 19579 6288 1 10 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.100 -0.612 19579 6289 1 10 . 1 1 44 44 ALA H H 44 8.617 8.617 8.301 0.316 19579 6290 1 10 . 1 1 45 45 ALA N N 45 120.804 120.804 121.378 -0.574 19579 6291 1 10 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.202 -0.149 19579 6292 1 10 . 1 1 45 45 ALA C C 45 180.591 180.591 180.143 0.448 19579 6293 1 10 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.504 0.248 19579 6294 1 10 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.626 -0.009 19579 6295 1 10 . 1 1 45 45 ALA H H 45 7.913 7.913 7.659 0.254 19579 6296 1 10 . 1 1 46 46 ILE N N 46 117.637 117.637 119.759 -2.122 19579 6297 1 10 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.808 -0.180 19579 6298 1 10 . 1 1 46 46 ILE C C 46 177.612 177.612 178.404 -0.792 19579 6299 1 10 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.528 -1.249 19579 6300 1 10 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.874 -0.214 19579 6301 1 10 . 1 1 46 46 ILE H H 46 7.313 7.313 7.523 -0.210 19579 6302 1 10 . 1 1 47 47 ALA N N 47 121.493 121.493 121.874 -0.381 19579 6303 1 10 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.165 -0.221 19579 6304 1 10 . 1 1 47 47 ALA C C 47 178.538 178.538 178.273 0.265 19579 6305 1 10 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.271 1.116 19579 6306 1 10 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.486 0.493 19579 6307 1 10 . 1 1 47 47 ALA H H 47 8.413 8.413 8.396 0.017 19579 6308 1 10 . 1 1 48 48 SER N N 48 109.024 109.024 113.102 -4.078 19579 6309 1 10 . 1 1 48 48 SER HA H 48 4.352 4.352 4.608 -0.256 19579 6310 1 10 . 1 1 48 48 SER C C 48 176.056 176.056 174.423 1.633 19579 6311 1 10 . 1 1 48 48 SER CA C 48 59.977 59.977 59.289 0.688 19579 6312 1 10 . 1 1 48 48 SER CB C 48 63.838 63.838 64.202 -0.364 19579 6313 1 10 . 1 1 48 48 SER H H 48 8.030 8.030 7.501 0.529 19579 6314 1 10 . 1 1 49 49 GLY N N 49 108.121 108.121 108.564 -0.443 19579 6315 1 10 . 1 1 49 49 GLY C C 49 174.820 174.820 174.918 -0.098 19579 6316 1 10 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.209 -0.016 19579 6317 1 10 . 1 1 49 49 GLY H H 49 8.048 8.048 7.555 0.493 19579 6318 1 10 . 1 1 50 50 GLY N N 50 111.955 111.955 108.828 3.127 19579 6319 1 10 . 1 1 50 50 GLY C C 50 174.975 174.975 174.308 0.667 19579 6320 1 10 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.321 -0.139 19579 6321 1 10 . 1 1 50 50 GLY H H 50 8.409 8.409 8.493 -0.084 19579 6322 1 10 . 1 1 51 51 ALA N N 51 126.247 126.247 122.690 3.557 19579 6323 1 10 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.674 -0.855 19579 6324 1 10 . 1 1 51 51 ALA C C 51 179.697 179.697 178.797 0.900 19579 6325 1 10 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.013 3.047 19579 6326 1 10 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.376 -1.097 19579 6327 1 10 . 1 1 51 51 ALA H H 51 9.119 9.119 8.112 1.007 19579 6328 1 10 . 1 1 52 52 SER N N 52 111.975 111.975 116.257 -4.282 19579 6329 1 10 . 1 1 52 52 SER HA H 52 4.222 4.222 4.122 0.100 19579 6330 1 10 . 1 1 52 52 SER C C 52 174.983 174.983 175.529 -0.546 19579 6331 1 10 . 1 1 52 52 SER CA C 52 60.814 60.814 61.333 -0.519 19579 6332 1 10 . 1 1 52 52 SER CB C 52 62.977 62.977 63.016 -0.039 19579 6333 1 10 . 1 1 52 52 SER H H 52 8.231 8.231 8.807 -0.576 19579 6334 1 10 . 1 1 53 53 ALA N N 53 122.484 122.484 123.737 -1.253 19579 6335 1 10 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.334 0.068 19579 6336 1 10 . 1 1 53 53 ALA C C 53 177.391 177.391 179.061 -1.670 19579 6337 1 10 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.393 -1.266 19579 6338 1 10 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.431 1.515 19579 6339 1 10 . 1 1 53 53 ALA H H 53 7.602 7.602 8.022 -0.420 19579 6340 1 10 . 1 1 54 54 LEU N N 54 117.414 117.414 120.293 -2.879 19579 6341 1 10 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.094 -0.215 19579 6342 1 10 . 1 1 54 54 LEU C C 54 174.434 174.434 175.896 -1.462 19579 6343 1 10 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.108 0.207 19579 6344 1 10 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.585 0.035 19579 6345 1 10 . 1 1 54 54 LEU H H 54 7.408 7.408 7.860 -0.452 19579 6346 1 10 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.333 -0.142 19579 6347 1 10 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.074 1.860 19579 6348 1 10 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.346 -0.296 19579 6349 1 10 . 1 1 56 56 SER N N 56 113.559 113.559 113.020 0.539 19579 6350 1 10 . 1 1 56 56 SER HA H 56 4.234 4.234 4.433 -0.199 19579 6351 1 10 . 1 1 56 56 SER C C 56 176.552 176.552 175.711 0.841 19579 6352 1 10 . 1 1 56 56 SER CA C 56 61.233 61.233 61.222 0.011 19579 6353 1 10 . 1 1 56 56 SER CB C 56 62.733 62.733 64.113 -1.380 19579 6354 1 10 . 1 1 56 56 SER H H 56 7.834 7.834 7.502 0.332 19579 6355 1 10 . 1 1 57 57 VAL N N 57 123.292 123.292 121.543 1.749 19579 6356 1 10 . 1 1 57 57 VAL HA H 57 3.743 3.743 3.938 -0.195 19579 6357 1 10 . 1 1 57 57 VAL C C 57 178.042 178.042 177.323 0.719 19579 6358 1 10 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.464 0.996 19579 6359 1 10 . 1 1 57 57 VAL CB C 57 31.768 31.768 32.262 -0.494 19579 6360 1 10 . 1 1 57 57 VAL H H 57 8.263 8.263 8.181 0.082 19579 6361 1 10 . 1 1 58 58 ILE N N 58 118.510 118.510 120.605 -2.095 19579 6362 1 10 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.602 0.082 19579 6363 1 10 . 1 1 58 58 ILE C C 58 176.221 176.221 177.941 -1.720 19579 6364 1 10 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.323 -1.241 19579 6365 1 10 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.512 -0.163 19579 6366 1 10 . 1 1 58 58 ILE H H 58 8.873 8.873 8.060 0.813 19579 6367 1 10 . 1 1 59 59 SER N N 59 114.238 114.238 112.453 1.785 19579 6368 1 10 . 1 1 59 59 SER HA H 59 4.305 4.305 4.724 -0.419 19579 6369 1 10 . 1 1 59 59 SER C C 59 177.534 177.534 175.816 1.718 19579 6370 1 10 . 1 1 59 59 SER CA C 59 61.586 61.586 60.508 1.077 19579 6371 1 10 . 1 1 59 59 SER CB C 59 62.951 62.951 63.134 -0.183 19579 6372 1 10 . 1 1 59 59 SER H H 59 7.388 7.388 8.664 -1.276 19579 6373 1 10 . 1 1 60 60 ASN N N 60 120.810 120.810 121.795 -0.985 19579 6374 1 10 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.732 -0.372 19579 6375 1 10 . 1 1 60 60 ASN C C 60 178.616 178.616 177.159 1.457 19579 6376 1 10 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.452 1.263 19579 6377 1 10 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.949 0.047 19579 6378 1 10 . 1 1 60 60 ASN H H 60 8.147 8.147 7.827 0.320 19579 6379 1 10 . 1 1 61 61 ILE N N 61 121.116 121.116 121.270 -0.154 19579 6380 1 10 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.651 -0.130 19579 6381 1 10 . 1 1 61 61 ILE C C 61 176.972 176.972 177.644 -0.672 19579 6382 1 10 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.477 1.085 19579 6383 1 10 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.066 0.940 19579 6384 1 10 . 1 1 61 61 ILE H H 61 8.642 8.642 8.052 0.590 19579 6385 1 10 . 1 1 62 62 TYR N N 62 119.953 119.953 119.835 0.118 19579 6386 1 10 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.989 -0.366 19579 6387 1 10 . 1 1 62 62 TYR C C 62 176.828 176.828 177.482 -0.654 19579 6388 1 10 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.851 1.232 19579 6389 1 10 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.277 0.698 19579 6390 1 10 . 1 1 62 62 TYR H H 62 9.192 9.192 7.928 1.264 19579 6391 1 10 . 1 1 63 63 SER N N 63 111.464 111.464 114.733 -3.269 19579 6392 1 10 . 1 1 63 63 SER HA H 63 4.035 4.035 4.178 -0.143 19579 6393 1 10 . 1 1 63 63 SER C C 63 177.325 177.325 177.015 0.310 19579 6394 1 10 . 1 1 63 63 SER CA C 63 62.027 62.027 62.092 -0.065 19579 6395 1 10 . 1 1 63 63 SER CB C 63 62.565 62.565 62.693 -0.128 19579 6396 1 10 . 1 1 63 63 SER H H 63 8.320 8.320 7.872 0.448 19579 6397 1 10 . 1 1 64 64 GLY N N 64 110.383 110.383 108.913 1.470 19579 6398 1 10 . 1 1 64 64 GLY C C 64 175.581 175.581 175.543 0.038 19579 6399 1 10 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.897 0.417 19579 6400 1 10 . 1 1 64 64 GLY H H 64 7.724 7.724 7.643 0.081 19579 6401 1 10 . 1 1 65 65 VAL N N 65 124.665 124.665 123.353 1.312 19579 6402 1 10 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.609 -0.365 19579 6403 1 10 . 1 1 65 65 VAL C C 65 180.072 180.072 177.671 2.401 19579 6404 1 10 . 1 1 65 65 VAL CA C 65 67.004 67.004 66.091 0.913 19579 6405 1 10 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.918 -0.210 19579 6406 1 10 . 1 1 65 65 VAL H H 65 8.584 8.584 7.572 1.012 19579 6407 1 10 . 1 1 66 66 VAL N N 66 120.803 120.803 119.218 1.585 19579 6408 1 10 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.608 0.115 19579 6409 1 10 . 1 1 66 66 VAL C C 66 179.829 179.829 178.373 1.456 19579 6410 1 10 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.791 0.424 19579 6411 1 10 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.151 0.603 19579 6412 1 10 . 1 1 66 66 VAL H H 66 8.305 8.305 7.831 0.474 19579 6413 1 10 . 1 1 67 67 ALA N N 67 123.266 123.266 122.287 0.979 19579 6414 1 10 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.165 -0.001 19579 6415 1 10 . 1 1 67 67 ALA C C 67 178.560 178.560 178.570 -0.010 19579 6416 1 10 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.722 -0.298 19579 6417 1 10 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.090 -0.079 19579 6418 1 10 . 1 1 67 67 ALA H H 67 7.979 7.979 7.921 0.058 19579 6419 1 10 . 1 1 68 68 SER N N 68 112.669 112.669 112.937 -0.268 19579 6420 1 10 . 1 1 68 68 SER HA H 68 4.436 4.436 4.382 0.054 19579 6421 1 10 . 1 1 68 68 SER C C 68 174.555 174.555 174.701 -0.146 19579 6422 1 10 . 1 1 68 68 SER CA C 68 59.634 59.634 59.652 -0.018 19579 6423 1 10 . 1 1 68 68 SER CB C 68 63.943 63.943 63.737 0.206 19579 6424 1 10 . 1 1 68 68 SER H H 68 7.674 7.674 7.514 0.160 19579 6425 1 10 . 1 1 69 69 GLY N N 69 109.146 109.146 108.786 0.360 19579 6426 1 10 . 1 1 69 69 GLY C C 69 173.904 173.904 174.222 -0.318 19579 6427 1 10 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.896 0.335 19579 6428 1 10 . 1 1 69 69 GLY H H 69 7.939 7.939 7.607 0.332 19579 6429 1 10 . 1 1 70 70 VAL N N 70 119.926 119.926 119.777 0.149 19579 6430 1 10 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.272 -0.362 19579 6431 1 10 . 1 1 70 70 VAL C C 70 174.997 174.997 176.070 -1.073 19579 6432 1 10 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.584 0.700 19579 6433 1 10 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.731 -1.307 19579 6434 1 10 . 1 1 70 70 VAL H H 70 6.723 6.723 7.385 -0.662 19579 6435 1 10 . 1 1 71 71 SER N N 71 120.581 120.581 119.986 0.595 19579 6436 1 10 . 1 1 71 71 SER HA H 71 4.386 4.386 4.433 -0.047 19579 6437 1 10 . 1 1 71 71 SER C C 71 175.559 175.559 175.146 0.413 19579 6438 1 10 . 1 1 71 71 SER CA C 71 58.441 58.441 57.519 0.922 19579 6439 1 10 . 1 1 71 71 SER CB C 71 64.632 64.632 64.339 0.293 19579 6440 1 10 . 1 1 71 71 SER H H 71 8.577 8.577 8.408 0.169 19579 6441 1 10 . 1 1 72 72 SER N N 72 117.898 117.898 117.711 0.187 19579 6442 1 10 . 1 1 72 72 SER HA H 72 4.083 4.083 4.081 0.002 19579 6443 1 10 . 1 1 72 72 SER C C 72 176.255 176.255 176.286 -0.031 19579 6444 1 10 . 1 1 72 72 SER CA C 72 61.586 61.586 61.874 -0.288 19579 6445 1 10 . 1 1 72 72 SER CB C 72 62.622 62.622 63.370 -0.748 19579 6446 1 10 . 1 1 72 72 SER H H 72 8.889 8.889 8.802 0.087 19579 6447 1 10 . 1 1 73 73 ASN N N 73 118.976 118.976 118.401 0.575 19579 6448 1 10 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.399 0.258 19579 6449 1 10 . 1 1 73 73 ASN C C 73 176.506 176.506 177.233 -0.727 19579 6450 1 10 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.527 0.534 19579 6451 1 10 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.376 -0.376 19579 6452 1 10 . 1 1 73 73 ASN H H 73 8.519 8.519 8.671 -0.152 19579 6453 1 10 . 1 1 74 74 GLU N N 74 118.543 118.543 118.249 0.294 19579 6454 1 10 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.072 0.038 19579 6455 1 10 . 1 1 74 74 GLU C C 74 176.994 176.994 177.480 -0.486 19579 6456 1 10 . 1 1 74 74 GLU CA C 74 58.026 58.026 57.494 0.532 19579 6457 1 10 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.305 2.058 19579 6458 1 10 . 1 1 74 74 GLU H H 74 7.768 7.768 7.596 0.172 19579 6459 1 10 . 1 1 75 75 ALA N N 75 121.901 121.901 123.998 -2.097 19579 6460 1 10 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.117 -0.427 19579 6461 1 10 . 1 1 75 75 ALA C C 75 178.318 178.318 179.283 -0.965 19579 6462 1 10 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.105 0.123 19579 6463 1 10 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.378 0.263 19579 6464 1 10 . 1 1 75 75 ALA H H 75 8.069 8.069 7.970 0.099 19579 6465 1 10 . 1 1 76 76 LEU N N 76 117.360 117.360 117.681 -0.321 19579 6466 1 10 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.259 -0.149 19579 6467 1 10 . 1 1 76 76 LEU C C 76 177.854 177.854 177.531 0.323 19579 6468 1 10 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.046 0.968 19579 6469 1 10 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.224 -1.456 19579 6470 1 10 . 1 1 76 76 LEU H H 76 8.121 8.121 7.644 0.477 19579 6471 1 10 . 1 1 77 77 ILE N N 77 116.714 116.714 119.863 -3.149 19579 6472 1 10 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.834 -0.382 19579 6473 1 10 . 1 1 77 77 ILE C C 77 176.883 176.883 177.393 -0.510 19579 6474 1 10 . 1 1 77 77 ILE CA C 77 64.258 64.258 63.419 0.839 19579 6475 1 10 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.600 -0.858 19579 6476 1 10 . 1 1 77 77 ILE H H 77 7.607 7.607 7.376 0.231 19579 6477 1 10 . 1 1 78 78 GLN N N 78 119.338 119.338 120.787 -1.449 19579 6478 1 10 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.907 -0.275 19579 6479 1 10 . 1 1 78 78 GLN C C 78 177.521 177.521 178.122 -0.601 19579 6480 1 10 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.282 1.038 19579 6481 1 10 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.120 0.054 19579 6482 1 10 . 1 1 78 78 GLN H H 78 8.119 8.119 8.667 -0.548 19579 6483 1 10 . 1 1 79 79 ALA N N 79 119.218 119.218 120.968 -1.750 19579 6484 1 10 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.044 -0.172 19579 6485 1 10 . 1 1 79 79 ALA C C 79 179.311 179.311 179.539 -0.228 19579 6486 1 10 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.138 -0.313 19579 6487 1 10 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.210 -0.391 19579 6488 1 10 . 1 1 79 79 ALA H H 79 8.639 8.639 7.536 1.103 19579 6489 1 10 . 1 1 80 80 LEU N N 80 116.262 116.262 119.514 -3.252 19579 6490 1 10 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.093 -0.194 19579 6491 1 10 . 1 1 80 80 LEU C C 80 178.914 178.914 178.752 0.162 19579 6492 1 10 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.380 0.631 19579 6493 1 10 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.869 -0.254 19579 6494 1 10 . 1 1 80 80 LEU H H 80 8.450 8.450 7.827 0.623 19579 6495 1 10 . 1 1 81 81 LEU N N 81 118.995 118.995 119.161 -0.166 19579 6496 1 10 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.873 0.099 19579 6497 1 10 . 1 1 81 81 LEU C C 81 180.127 180.127 179.278 0.849 19579 6498 1 10 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.092 -0.109 19579 6499 1 10 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.353 1.190 19579 6500 1 10 . 1 1 81 81 LEU H H 81 8.151 8.151 8.596 -0.445 19579 6501 1 10 . 1 1 82 82 GLU N N 82 124.890 124.890 118.993 5.897 19579 6502 1 10 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.001 -0.368 19579 6503 1 10 . 1 1 82 82 GLU C C 82 178.505 178.505 179.336 -0.831 19579 6504 1 10 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.183 2.117 19579 6505 1 10 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.487 0.292 19579 6506 1 10 . 1 1 82 82 GLU H H 82 8.659 8.659 8.016 0.643 19579 6507 1 10 . 1 1 83 83 LEU N N 83 121.487 121.487 120.857 0.630 19579 6508 1 10 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.130 -0.310 19579 6509 1 10 . 1 1 83 83 LEU C C 83 178.163 178.163 178.779 -0.616 19579 6510 1 10 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.767 0.388 19579 6511 1 10 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.515 0.119 19579 6512 1 10 . 1 1 83 83 LEU H H 83 8.658 8.658 7.866 0.792 19579 6513 1 10 . 1 1 84 84 LEU N N 84 118.904 118.904 117.347 1.557 19579 6514 1 10 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.205 -0.419 19579 6515 1 10 . 1 1 84 84 LEU C C 84 178.064 178.064 178.561 -0.497 19579 6516 1 10 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.699 1.964 19579 6517 1 10 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.336 1.869 19579 6518 1 10 . 1 1 84 84 LEU H H 84 8.803 8.803 8.190 0.613 19579 6519 1 10 . 1 1 85 85 SER N N 85 114.347 114.347 113.262 1.085 19579 6520 1 10 . 1 1 85 85 SER HA H 85 4.211 4.211 4.554 -0.343 19579 6521 1 10 . 1 1 85 85 SER C C 85 174.633 174.633 175.214 -0.581 19579 6522 1 10 . 1 1 85 85 SER CA C 85 62.957 62.957 59.374 3.583 19579 6523 1 10 . 1 1 85 85 SER CB C 85 62.947 62.947 63.873 -0.926 19579 6524 1 10 . 1 1 85 85 SER H H 85 7.879 7.879 7.750 0.129 19579 6525 1 10 . 1 1 86 86 ALA N N 86 124.206 124.206 125.672 -1.466 19579 6526 1 10 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.175 -0.405 19579 6527 1 10 . 1 1 86 86 ALA C C 86 178.538 178.538 178.972 -0.434 19579 6528 1 10 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.169 0.197 19579 6529 1 10 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.716 -1.372 19579 6530 1 10 . 1 1 86 86 ALA H H 86 8.199 8.199 7.601 0.598 19579 6531 1 10 . 1 1 87 87 LEU N N 87 116.463 116.463 115.550 0.913 19579 6532 1 10 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.202 -0.381 19579 6533 1 10 . 1 1 87 87 LEU C C 87 178.709 178.709 178.451 0.258 19579 6534 1 10 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.762 0.592 19579 6535 1 10 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.487 2.107 19579 6536 1 10 . 1 1 87 87 LEU H H 87 8.140 8.140 7.554 0.586 19579 6537 1 10 . 1 1 88 88 VAL N N 88 118.854 118.854 118.651 0.203 19579 6538 1 10 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.818 -0.415 19579 6539 1 10 . 1 1 88 88 VAL C C 88 177.766 177.766 177.196 0.570 19579 6540 1 10 . 1 1 88 88 VAL CA C 88 66.665 66.665 64.714 1.951 19579 6541 1 10 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.959 -0.512 19579 6542 1 10 . 1 1 88 88 VAL H H 88 8.716 8.716 7.573 1.143 19579 6543 1 10 . 1 1 89 89 HIS N N 89 121.227 121.227 119.830 1.397 19579 6544 1 10 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.325 -0.286 19579 6545 1 10 . 1 1 89 89 HIS C C 89 178.880 178.880 177.623 1.257 19579 6546 1 10 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.038 1.284 19579 6547 1 10 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.087 1.661 19579 6548 1 10 . 1 1 89 89 HIS H H 89 8.664 8.664 7.701 0.963 19579 6549 1 10 . 1 1 90 90 VAL N N 90 118.094 118.094 118.309 -0.215 19579 6550 1 10 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.942 -0.375 19579 6551 1 10 . 1 1 90 90 VAL C C 90 177.733 177.733 177.530 0.203 19579 6552 1 10 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.571 1.259 19579 6553 1 10 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.258 0.342 19579 6554 1 10 . 1 1 90 90 VAL H H 90 7.994 7.994 7.721 0.273 19579 6555 1 10 . 1 1 91 91 LEU N N 91 119.672 119.672 121.323 -1.651 19579 6556 1 10 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.132 -0.300 19579 6557 1 10 . 1 1 91 91 LEU C C 91 178.869 178.869 178.505 0.364 19579 6558 1 10 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.331 0.427 19579 6559 1 10 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.121 1.818 19579 6560 1 10 . 1 1 91 91 LEU H H 91 8.393 8.393 7.617 0.776 19579 6561 1 10 . 1 1 92 92 SER N N 92 113.554 113.554 113.633 -0.079 19579 6562 1 10 . 1 1 92 92 SER HA H 92 4.297 4.297 4.225 0.072 19579 6563 1 10 . 1 1 92 92 SER C C 92 174.500 174.500 175.612 -1.112 19579 6564 1 10 . 1 1 92 92 SER CA C 92 61.410 61.410 60.551 0.859 19579 6565 1 10 . 1 1 92 92 SER CB C 92 63.254 63.254 62.947 0.307 19579 6566 1 10 . 1 1 92 92 SER H H 92 7.900 7.900 7.678 0.222 19579 6567 1 10 . 1 1 93 93 SER N N 93 115.055 115.055 114.871 0.184 19579 6568 1 10 . 1 1 93 93 SER HA H 93 4.704 4.704 4.625 0.079 19579 6569 1 10 . 1 1 93 93 SER C C 93 173.044 173.044 174.310 -1.266 19579 6570 1 10 . 1 1 93 93 SER CA C 93 57.967 57.967 58.748 -0.781 19579 6571 1 10 . 1 1 93 93 SER CB C 93 64.574 64.574 64.025 0.549 19579 6572 1 10 . 1 1 93 93 SER H H 93 7.420 7.420 7.455 -0.035 19579 6573 1 10 . 1 1 94 94 ALA N N 94 124.504 124.504 124.892 -0.388 19579 6574 1 10 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.276 0.353 19579 6575 1 10 . 1 1 94 94 ALA C C 94 176.199 176.199 177.574 -1.375 19579 6576 1 10 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.049 -1.580 19579 6577 1 10 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.156 2.464 19579 6578 1 10 . 1 1 94 94 ALA H H 94 7.476 7.476 7.171 0.305 19579 6579 1 10 . 1 1 95 95 SER N N 95 115.739 115.739 113.595 2.144 19579 6580 1 10 . 1 1 95 95 SER HA H 95 4.758 4.758 4.115 0.643 19579 6581 1 10 . 1 1 95 95 SER C C 95 174.136 174.136 174.048 0.088 19579 6582 1 10 . 1 1 95 95 SER CA C 95 57.343 57.343 59.074 -1.731 19579 6583 1 10 . 1 1 95 95 SER CB C 95 63.303 63.303 60.742 2.561 19579 6584 1 10 . 1 1 95 95 SER H H 95 8.483 8.483 7.869 0.614 19579 6585 1 10 . 1 1 96 96 ILE N N 96 128.288 128.288 121.942 6.346 19579 6586 1 10 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.061 -0.068 19579 6587 1 10 . 1 1 96 96 ILE C C 96 175.868 175.868 176.941 -1.073 19579 6588 1 10 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.027 -0.665 19579 6589 1 10 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.947 -0.334 19579 6590 1 10 . 1 1 96 96 ILE H H 96 8.869 8.869 8.284 0.585 19579 6591 1 10 . 1 1 97 97 GLY N N 97 115.495 115.495 116.063 -0.568 19579 6592 1 10 . 1 1 97 97 GLY C C 97 173.022 173.022 173.718 -0.696 19579 6593 1 10 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.255 -0.385 19579 6594 1 10 . 1 1 97 97 GLY H H 97 8.272 8.272 8.585 -0.313 19579 6595 1 10 . 1 1 98 98 ASN N N 98 120.819 120.819 119.889 0.930 19579 6596 1 10 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.877 -0.229 19579 6597 1 10 . 1 1 98 98 ASN C C 98 174.809 174.809 174.341 0.468 19579 6598 1 10 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.876 0.550 19579 6599 1 10 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.867 -1.202 19579 6600 1 10 . 1 1 98 98 ASN H H 98 8.420 8.420 8.292 0.128 19579 6601 1 10 . 1 1 99 99 VAL N N 99 122.960 122.960 123.884 -0.924 19579 6602 1 10 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.273 -0.099 19579 6603 1 10 . 1 1 99 99 VAL C C 99 174.500 174.500 175.986 -1.486 19579 6604 1 10 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.721 -0.353 19579 6605 1 10 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.847 0.558 19579 6606 1 10 . 1 1 99 99 VAL H H 99 8.292 8.292 8.401 -0.109 19579 6607 1 10 . 1 1 100 100 SER N N 100 120.723 120.723 118.306 2.417 19579 6608 1 10 . 1 1 100 100 SER HA H 100 4.756 4.756 4.601 0.155 19579 6609 1 10 . 1 1 100 100 SER C C 100 174.235 174.235 174.872 -0.637 19579 6610 1 10 . 1 1 100 100 SER CA C 100 56.687 56.687 57.647 -0.960 19579 6611 1 10 . 1 1 100 100 SER CB C 100 64.904 64.904 64.340 0.564 19579 6612 1 10 . 1 1 100 100 SER H H 100 8.644 8.644 8.509 0.135 19579 6613 1 10 . 1 1 101 101 SER N N 101 117.236 117.236 124.046 -6.810 19579 6614 1 10 . 1 1 101 101 SER HA H 101 4.130 4.130 4.531 -0.401 19579 6615 1 10 . 1 1 101 101 SER CA C 101 59.000 59.000 58.519 0.481 19579 6616 1 10 . 1 1 101 101 SER CB C 101 63.104 63.104 62.599 0.505 19579 6617 1 10 . 1 1 102 102 VAL N N 102 124.874 124.874 122.357 2.517 19579 6618 1 10 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.258 -0.437 19579 6619 1 10 . 1 1 102 102 VAL C C 102 177.545 177.545 175.335 2.210 19579 6620 1 10 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.673 2.909 19579 6621 1 10 . 1 1 102 102 VAL CB C 102 31.480 31.480 33.428 -1.948 19579 6622 1 10 . 1 1 102 102 VAL H H 102 8.090 8.090 8.043 0.047 19579 6623 1 10 . 1 1 103 103 GLY N N 103 114.589 114.589 115.025 -0.436 19579 6624 1 10 . 1 1 103 103 GLY C C 103 176.387 176.387 174.691 1.696 19579 6625 1 10 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.098 0.588 19579 6626 1 10 . 1 1 103 103 GLY H H 103 9.051 9.051 8.738 0.313 19579 6627 1 10 . 1 1 104 104 VAL N N 104 121.976 121.976 122.128 -0.152 19579 6628 1 10 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.729 -0.381 19579 6629 1 10 . 1 1 104 104 VAL C C 104 176.045 176.045 177.049 -1.004 19579 6630 1 10 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.110 1.779 19579 6631 1 10 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.195 0.070 19579 6632 1 10 . 1 1 104 104 VAL H H 104 7.753 7.753 8.232 -0.479 19579 6633 1 10 . 1 1 105 105 ASP N N 105 117.868 117.868 118.304 -0.436 19579 6634 1 10 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.433 -0.282 19579 6635 1 10 . 1 1 105 105 ASP C C 105 178.406 178.406 177.517 0.889 19579 6636 1 10 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.049 -0.339 19579 6637 1 10 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.147 -1.495 19579 6638 1 10 . 1 1 105 105 ASP H H 105 8.719 8.719 8.506 0.213 19579 6639 1 10 . 1 1 106 106 SER N N 106 117.500 117.500 114.303 3.197 19579 6640 1 10 . 1 1 106 106 SER HA H 106 4.306 4.306 4.707 -0.401 19579 6641 1 10 . 1 1 106 106 SER C C 106 176.784 176.784 176.343 0.441 19579 6642 1 10 . 1 1 106 106 SER CA C 106 61.523 61.523 59.717 1.806 19579 6643 1 10 . 1 1 106 106 SER CB C 106 62.480 62.480 64.249 -1.769 19579 6644 1 10 . 1 1 106 106 SER H H 106 7.685 7.685 7.606 0.079 19579 6645 1 10 . 1 1 107 107 THR N N 107 121.741 121.741 120.784 0.957 19579 6646 1 10 . 1 1 107 107 THR HA H 107 4.373 4.373 4.068 0.305 19579 6647 1 10 . 1 1 107 107 THR C C 107 176.227 176.227 176.717 -0.490 19579 6648 1 10 . 1 1 107 107 THR CA C 107 66.648 66.648 66.234 0.414 19579 6649 1 10 . 1 1 107 107 THR CB C 107 66.884 66.884 68.820 -1.936 19579 6650 1 10 . 1 1 107 107 THR H H 107 8.024 8.024 7.669 0.355 19579 6651 1 10 . 1 1 108 108 LEU N N 108 122.175 122.175 121.077 1.098 19579 6652 1 10 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.019 -0.103 19579 6653 1 10 . 1 1 108 108 LEU C C 108 178.560 178.560 177.633 0.927 19579 6654 1 10 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.394 1.775 19579 6655 1 10 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.333 -0.304 19579 6656 1 10 . 1 1 108 108 LEU H H 108 8.475 8.475 8.373 0.102 19579 6657 1 10 . 1 1 109 109 ASN N N 109 116.499 116.499 118.017 -1.518 19579 6658 1 10 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.806 -0.320 19579 6659 1 10 . 1 1 109 109 ASN C C 109 177.181 177.181 177.541 -0.360 19579 6660 1 10 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.465 1.034 19579 6661 1 10 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.699 0.286 19579 6662 1 10 . 1 1 109 109 ASN H H 109 7.567 7.567 7.523 0.044 19579 6663 1 10 . 1 1 110 110 VAL N N 110 121.382 121.382 120.529 0.853 19579 6664 1 10 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.713 0.164 19579 6665 1 10 . 1 1 110 110 VAL C C 110 180.116 180.116 177.580 2.536 19579 6666 1 10 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.339 -0.103 19579 6667 1 10 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.733 -0.173 19579 6668 1 10 . 1 1 110 110 VAL H H 110 7.978 7.978 7.619 0.359 19579 6669 1 10 . 1 1 111 111 VAL N N 111 123.748 123.748 120.277 3.471 19579 6670 1 10 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.636 -0.278 19579 6671 1 10 . 1 1 111 111 VAL C C 111 177.424 177.424 177.489 -0.065 19579 6672 1 10 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.282 2.900 19579 6673 1 10 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.237 -0.131 19579 6674 1 10 . 1 1 111 111 VAL H H 111 8.228 8.228 7.758 0.470 19579 6675 1 10 . 1 1 112 112 GLN N N 112 120.331 120.331 118.638 1.693 19579 6676 1 10 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.905 -0.307 19579 6677 1 10 . 1 1 112 112 GLN C C 112 178.329 178.329 177.808 0.521 19579 6678 1 10 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.445 0.864 19579 6679 1 10 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.403 1.738 19579 6680 1 10 . 1 1 112 112 GLN H H 112 8.719 8.719 7.839 0.880 19579 6681 1 10 . 1 1 113 113 ASP N N 113 117.931 117.931 117.036 0.895 19579 6682 1 10 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.552 -0.202 19579 6683 1 10 . 1 1 113 113 ASP C C 113 178.406 178.406 177.836 0.570 19579 6684 1 10 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.045 0.984 19579 6685 1 10 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.011 0.283 19579 6686 1 10 . 1 1 113 113 ASP H H 113 8.410 8.410 7.686 0.724 19579 6687 1 10 . 1 1 114 114 SER N N 114 113.798 113.798 115.407 -1.609 19579 6688 1 10 . 1 1 114 114 SER HA H 114 4.310 4.310 4.395 -0.085 19579 6689 1 10 . 1 1 114 114 SER C C 114 175.416 175.416 175.892 -0.476 19579 6690 1 10 . 1 1 114 114 SER CA C 114 61.981 61.981 61.366 0.615 19579 6691 1 10 . 1 1 114 114 SER CB C 114 63.618 63.618 63.765 -0.147 19579 6692 1 10 . 1 1 114 114 SER H H 114 7.973 7.973 7.670 0.303 19579 6693 1 10 . 1 1 115 115 VAL N N 115 115.306 115.306 119.991 -4.685 19579 6694 1 10 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.476 -0.269 19579 6695 1 10 . 1 1 115 115 VAL C C 115 177.325 177.325 176.976 0.349 19579 6696 1 10 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.468 1.796 19579 6697 1 10 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.308 0.059 19579 6698 1 10 . 1 1 115 115 VAL H H 115 8.090 8.090 8.136 -0.046 19579 6699 1 10 . 1 1 116 116 GLY N N 116 107.952 107.952 109.137 -1.185 19579 6700 1 10 . 1 1 116 116 GLY C C 116 175.129 175.129 174.965 0.164 19579 6701 1 10 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.575 0.255 19579 6702 1 10 . 1 1 116 116 GLY H H 116 7.991 7.991 7.919 0.072 19579 6703 1 10 . 1 1 117 117 GLN N N 117 116.191 116.191 118.190 -1.999 19579 6704 1 10 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.050 0.003 19579 6705 1 10 . 1 1 117 117 GLN C C 117 176.056 176.056 176.133 -0.077 19579 6706 1 10 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.185 -0.129 19579 6707 1 10 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.645 0.847 19579 6708 1 10 . 1 1 117 117 GLN H H 117 7.721 7.721 8.096 -0.375 19579 6709 1 10 . 1 1 118 118 TYR N N 118 116.504 116.504 118.618 -2.114 19579 6710 1 10 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.407 -0.181 19579 6711 1 10 . 1 1 118 118 TYR C C 118 174.919 174.919 177.321 -2.402 19579 6712 1 10 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.680 -1.029 19579 6713 1 10 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.538 -0.546 19579 6714 1 10 . 1 1 118 118 TYR H H 118 7.685 7.685 8.120 -0.435 19579 6715 1 10 . 1 1 119 119 VAL N N 119 115.145 115.145 118.129 -2.984 19579 6716 1 10 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.981 0.213 19579 6717 1 10 . 1 1 119 119 VAL C C 119 174.666 174.666 177.123 -2.457 19579 6718 1 10 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.979 -2.017 19579 6719 1 10 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.786 0.831 19579 6720 1 10 . 1 1 119 119 VAL H H 119 7.132 7.132 7.766 -0.634 19579 6721 1 11 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.377 -0.501 19579 6722 1 11 . 1 1 -2 -2 ASN N N -2 118.808 118.808 121.571 -2.763 19579 6723 1 11 . 1 1 -2 -2 ASN C C -2 175.184 175.184 176.104 -0.920 19579 6724 1 11 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.808 -0.409 19579 6725 1 11 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.706 -0.399 19579 6726 1 11 . 1 1 2 2 THR N N 2 116.876 116.876 121.339 -4.463 19579 6727 1 11 . 1 1 2 2 THR HA H 2 4.348 4.348 4.693 -0.345 19579 6728 1 11 . 1 1 2 2 THR C C 2 174.600 174.600 173.324 1.276 19579 6729 1 11 . 1 1 2 2 THR CA C 2 61.785 61.785 61.686 0.099 19579 6730 1 11 . 1 1 2 2 THR CB C 2 69.800 69.800 71.505 -1.705 19579 6731 1 11 . 1 1 2 2 THR H H 2 8.176 8.176 8.058 0.118 19579 6732 1 11 . 1 1 3 3 SER N N 3 117.968 117.968 118.811 -0.843 19579 6733 1 11 . 1 1 3 3 SER C C 3 174.732 174.732 174.185 0.547 19579 6734 1 11 . 1 1 3 3 SER CA C 3 58.585 58.585 57.810 0.775 19579 6735 1 11 . 1 1 3 3 SER H H 3 8.248 8.248 8.354 -0.106 19579 6736 1 11 . 1 1 5 5 GLY N N 5 108.381 108.381 106.948 1.433 19579 6737 1 11 . 1 1 5 5 GLY C C 5 173.728 173.728 174.296 -0.568 19579 6738 1 11 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.525 0.690 19579 6739 1 11 . 1 1 5 5 GLY H H 5 8.134 8.134 8.161 -0.027 19579 6740 1 11 . 1 1 6 6 TYR N N 6 120.011 120.011 120.687 -0.676 19579 6741 1 11 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.486 -0.021 19579 6742 1 11 . 1 1 6 6 TYR C C 6 176.232 176.232 176.481 -0.249 19579 6743 1 11 . 1 1 6 6 TYR CA C 6 58.175 58.175 58.114 0.062 19579 6744 1 11 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.171 -0.407 19579 6745 1 11 . 1 1 6 6 TYR H H 6 8.096 8.096 8.406 -0.310 19579 6746 1 11 . 1 1 7 7 GLY N N 7 110.530 110.530 112.558 -2.028 19579 6747 1 11 . 1 1 7 7 GLY C C 7 173.772 173.772 173.047 0.725 19579 6748 1 11 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.534 0.688 19579 6749 1 11 . 1 1 7 7 GLY H H 7 8.283 8.283 8.370 -0.087 19579 6750 1 11 . 1 1 8 8 TYR N N 8 120.132 120.132 121.650 -1.518 19579 6751 1 11 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.710 -0.227 19579 6752 1 11 . 1 1 8 8 TYR C C 8 176.420 176.420 175.373 1.047 19579 6753 1 11 . 1 1 8 8 TYR CA C 8 58.334 58.334 58.247 0.087 19579 6754 1 11 . 1 1 8 8 TYR CB C 8 38.745 38.745 38.625 0.120 19579 6755 1 11 . 1 1 8 8 TYR H H 8 7.987 7.987 8.432 -0.445 19579 6756 1 11 . 1 1 9 9 GLY N N 9 110.831 110.831 112.947 -2.116 19579 6757 1 11 . 1 1 9 9 GLY C C 9 174.335 174.335 173.264 1.071 19579 6758 1 11 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.345 0.104 19579 6759 1 11 . 1 1 9 9 GLY H H 9 8.400 8.400 8.521 -0.121 19579 6760 1 11 . 1 1 10 10 THR N N 10 113.216 113.216 115.212 -1.996 19579 6761 1 11 . 1 1 10 10 THR HA H 10 4.366 4.366 4.473 -0.107 19579 6762 1 11 . 1 1 10 10 THR C C 10 174.721 174.721 174.947 -0.226 19579 6763 1 11 . 1 1 10 10 THR CA C 10 61.829 61.829 62.424 -0.595 19579 6764 1 11 . 1 1 10 10 THR CB C 10 69.881 69.881 69.347 0.534 19579 6765 1 11 . 1 1 10 10 THR H H 10 8.012 8.012 8.092 -0.080 19579 6766 1 11 . 1 1 11 11 SER N N 11 117.904 117.904 120.682 -2.778 19579 6767 1 11 . 1 1 11 11 SER HA H 11 4.414 4.414 4.509 -0.095 19579 6768 1 11 . 1 1 11 11 SER C C 11 174.335 174.335 173.915 0.420 19579 6769 1 11 . 1 1 11 11 SER CA C 11 58.363 58.363 57.872 0.491 19579 6770 1 11 . 1 1 11 11 SER CB C 11 63.911 63.911 63.165 0.746 19579 6771 1 11 . 1 1 11 11 SER H H 11 8.342 8.342 8.710 -0.368 19579 6772 1 11 . 1 1 12 12 ALA N N 12 126.003 126.003 124.684 1.319 19579 6773 1 11 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.329 -0.091 19579 6774 1 11 . 1 1 12 12 ALA C C 12 177.468 177.468 177.474 -0.006 19579 6775 1 11 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.288 0.485 19579 6776 1 11 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.291 -0.203 19579 6777 1 11 . 1 1 12 12 ALA H H 12 8.274 8.274 7.633 0.641 19579 6778 1 11 . 1 1 13 13 ALA N N 13 122.954 122.954 125.818 -2.864 19579 6779 1 11 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.387 -0.162 19579 6780 1 11 . 1 1 13 13 ALA C C 13 178.207 178.207 176.748 1.459 19579 6781 1 11 . 1 1 13 13 ALA CA C 13 52.579 52.579 53.210 -0.631 19579 6782 1 11 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.504 -0.213 19579 6783 1 11 . 1 1 13 13 ALA H H 13 8.121 8.121 8.765 -0.644 19579 6784 1 11 . 1 1 14 14 ALA N N 14 123.733 123.733 121.054 2.679 19579 6785 1 11 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.469 -0.212 19579 6786 1 11 . 1 1 14 14 ALA C C 14 178.227 178.227 176.342 1.885 19579 6787 1 11 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.461 0.288 19579 6788 1 11 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.928 -0.652 19579 6789 1 11 . 1 1 14 14 ALA H H 14 8.262 8.262 7.729 0.533 19579 6790 1 11 . 1 1 15 15 GLY N N 15 108.014 108.014 108.602 -0.588 19579 6791 1 11 . 1 1 15 15 GLY C C 15 173.849 173.849 172.369 1.480 19579 6792 1 11 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.956 0.354 19579 6793 1 11 . 1 1 15 15 GLY H H 15 8.239 8.239 8.286 -0.047 19579 6794 1 11 . 1 1 16 16 ALA N N 16 123.529 123.529 122.030 1.499 19579 6795 1 11 . 1 1 16 16 ALA HA H 16 4.298 4.298 5.296 -0.998 19579 6796 1 11 . 1 1 16 16 ALA C C 16 178.108 178.108 177.778 0.330 19579 6797 1 11 . 1 1 16 16 ALA CA C 16 52.711 52.711 50.792 1.919 19579 6798 1 11 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.875 -1.559 19579 6799 1 11 . 1 1 16 16 ALA H H 16 8.102 8.102 8.066 0.036 19579 6800 1 11 . 1 1 17 17 GLY N N 17 108.099 108.099 106.296 1.803 19579 6801 1 11 . 1 1 17 17 GLY C C 17 174.081 174.081 173.525 0.556 19579 6802 1 11 . 1 1 17 17 GLY CA C 17 45.235 45.235 46.218 -0.983 19579 6803 1 11 . 1 1 17 17 GLY H H 17 8.356 8.356 8.804 -0.448 19579 6804 1 11 . 1 1 18 18 VAL N N 18 119.220 119.220 118.436 0.784 19579 6805 1 11 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.105 -0.038 19579 6806 1 11 . 1 1 18 18 VAL C C 18 175.946 175.946 175.409 0.537 19579 6807 1 11 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.526 0.756 19579 6808 1 11 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.639 0.125 19579 6809 1 11 . 1 1 18 18 VAL H H 18 7.899 7.899 7.790 0.109 19579 6810 1 11 . 1 1 19 19 ALA N N 19 127.804 127.804 122.053 5.751 19579 6811 1 11 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.827 0.460 19579 6812 1 11 . 1 1 19 19 ALA C C 19 177.303 177.303 175.987 1.316 19579 6813 1 11 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.474 -1.014 19579 6814 1 11 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.803 1.496 19579 6815 1 11 . 1 1 19 19 ALA H H 19 8.377 8.377 7.750 0.627 19579 6816 1 11 . 1 1 20 20 ALA N N 20 123.602 123.602 120.704 2.898 19579 6817 1 11 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.698 -0.419 19579 6818 1 11 . 1 1 20 20 ALA C C 20 178.086 178.086 177.606 0.480 19579 6819 1 11 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.091 1.661 19579 6820 1 11 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.654 -1.339 19579 6821 1 11 . 1 1 20 20 ALA H H 20 8.261 8.261 7.942 0.319 19579 6822 1 11 . 1 1 21 21 GLY N N 21 108.033 108.033 114.792 -6.759 19579 6823 1 11 . 1 1 21 21 GLY C C 21 174.213 174.213 174.949 -0.736 19579 6824 1 11 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.645 -1.354 19579 6825 1 11 . 1 1 21 21 GLY H H 21 8.323 8.323 9.043 -0.720 19579 6826 1 11 . 1 1 22 22 SER N N 22 115.596 115.596 119.063 -3.467 19579 6827 1 11 . 1 1 22 22 SER HA H 22 4.369 4.369 4.664 -0.295 19579 6828 1 11 . 1 1 22 22 SER C C 22 175.328 175.328 172.716 2.612 19579 6829 1 11 . 1 1 22 22 SER CA C 22 58.686 58.686 57.148 1.538 19579 6830 1 11 . 1 1 22 22 SER CB C 22 63.915 63.915 63.730 0.185 19579 6831 1 11 . 1 1 22 22 SER H H 22 8.118 8.118 8.177 -0.059 19579 6832 1 11 . 1 1 23 23 TYR N N 23 121.490 121.490 120.668 0.822 19579 6833 1 11 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.561 0.208 19579 6834 1 11 . 1 1 23 23 TYR C C 23 175.890 175.890 174.145 1.745 19579 6835 1 11 . 1 1 23 23 TYR CA C 23 57.724 57.724 55.901 1.823 19579 6836 1 11 . 1 1 23 23 TYR CB C 23 37.863 37.863 36.800 1.062 19579 6837 1 11 . 1 1 23 23 TYR H H 23 8.620 8.620 7.333 1.287 19579 6838 1 11 . 1 1 24 24 ALA N N 24 121.940 121.940 126.968 -5.028 19579 6839 1 11 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.648 -0.767 19579 6840 1 11 . 1 1 24 24 ALA C C 24 179.366 179.366 177.943 1.423 19579 6841 1 11 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.560 3.833 19579 6842 1 11 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.142 -1.602 19579 6843 1 11 . 1 1 24 24 ALA H H 24 8.127 8.127 8.324 -0.197 19579 6844 1 11 . 1 1 25 25 GLY N N 25 106.527 106.527 108.133 -1.606 19579 6845 1 11 . 1 1 25 25 GLY C C 25 175.074 175.074 175.291 -0.217 19579 6846 1 11 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.477 0.720 19579 6847 1 11 . 1 1 25 25 GLY H H 25 8.647 8.647 8.297 0.350 19579 6848 1 11 . 1 1 26 26 ALA N N 26 122.752 122.752 124.574 -1.822 19579 6849 1 11 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.119 -0.092 19579 6850 1 11 . 1 1 26 26 ALA C C 26 177.490 177.490 179.904 -2.414 19579 6851 1 11 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.947 -0.410 19579 6852 1 11 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.373 0.603 19579 6853 1 11 . 1 1 26 26 ALA H H 26 7.552 7.552 7.953 -0.401 19579 6854 1 11 . 1 1 27 27 VAL N N 27 113.110 113.110 115.829 -2.719 19579 6855 1 11 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.695 -0.234 19579 6856 1 11 . 1 1 27 27 VAL C C 27 179.366 179.366 177.226 2.140 19579 6857 1 11 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.244 0.319 19579 6858 1 11 . 1 1 27 27 VAL CB C 27 32.095 32.095 30.856 1.239 19579 6859 1 11 . 1 1 27 27 VAL H H 27 7.283 7.283 8.124 -0.841 19579 6860 1 11 . 1 1 28 28 ASN N N 28 119.671 119.671 117.407 2.264 19579 6861 1 11 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.565 -0.210 19579 6862 1 11 . 1 1 28 28 ASN C C 28 177.667 177.667 176.885 0.782 19579 6863 1 11 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.361 0.730 19579 6864 1 11 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.001 0.319 19579 6865 1 11 . 1 1 28 28 ASN H H 28 8.374 8.374 7.897 0.477 19579 6866 1 11 . 1 1 29 29 ARG N N 29 116.957 116.957 118.177 -1.220 19579 6867 1 11 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.341 -0.223 19579 6868 1 11 . 1 1 29 29 ARG C C 29 177.457 177.457 177.920 -0.463 19579 6869 1 11 . 1 1 29 29 ARG CA C 29 58.695 58.695 56.870 1.825 19579 6870 1 11 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.437 -0.300 19579 6871 1 11 . 1 1 29 29 ARG H H 29 7.860 7.860 7.389 0.471 19579 6872 1 11 . 1 1 30 30 LEU N N 30 121.060 121.060 119.994 1.066 19579 6873 1 11 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.160 -0.206 19579 6874 1 11 . 1 1 30 30 LEU C C 30 174.975 174.975 177.231 -2.256 19579 6875 1 11 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.728 0.494 19579 6876 1 11 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.984 -1.026 19579 6877 1 11 . 1 1 30 30 LEU H H 30 7.524 7.524 7.879 -0.355 19579 6878 1 11 . 1 1 31 31 SER N N 31 106.764 106.764 112.535 -5.771 19579 6879 1 11 . 1 1 31 31 SER HA H 31 4.523 4.523 4.488 0.035 19579 6880 1 11 . 1 1 31 31 SER C C 31 174.666 174.666 174.140 0.526 19579 6881 1 11 . 1 1 31 31 SER CA C 31 57.680 57.680 59.096 -1.416 19579 6882 1 11 . 1 1 31 31 SER CB C 31 63.290 63.290 62.840 0.451 19579 6883 1 11 . 1 1 31 31 SER H H 31 7.046 7.046 8.064 -1.018 19579 6884 1 11 . 1 1 32 32 SER N N 32 117.235 117.235 117.627 -0.392 19579 6885 1 11 . 1 1 32 32 SER HA H 32 4.383 4.383 4.653 -0.270 19579 6886 1 11 . 1 1 32 32 SER C C 32 174.677 174.677 174.853 -0.176 19579 6887 1 11 . 1 1 32 32 SER CA C 32 58.027 58.027 57.675 0.352 19579 6888 1 11 . 1 1 32 32 SER CB C 32 66.069 66.069 64.743 1.326 19579 6889 1 11 . 1 1 32 32 SER H H 32 7.721 7.721 7.296 0.425 19579 6890 1 11 . 1 1 33 33 ALA N N 33 126.048 126.048 124.692 1.356 19579 6891 1 11 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.082 0.016 19579 6892 1 11 . 1 1 33 33 ALA C C 33 180.822 180.822 179.388 1.434 19579 6893 1 11 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.552 0.189 19579 6894 1 11 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.863 -0.834 19579 6895 1 11 . 1 1 33 33 ALA H H 33 8.980 8.980 8.691 0.289 19579 6896 1 11 . 1 1 34 34 GLU N N 34 117.978 117.978 120.032 -2.054 19579 6897 1 11 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.868 0.067 19579 6898 1 11 . 1 1 34 34 GLU C C 34 178.560 178.560 178.782 -0.222 19579 6899 1 11 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.225 1.149 19579 6900 1 11 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.099 -0.286 19579 6901 1 11 . 1 1 34 34 GLU H H 34 8.993 8.993 8.182 0.811 19579 6902 1 11 . 1 1 35 35 ALA N N 35 123.748 123.748 121.607 2.141 19579 6903 1 11 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.235 -0.184 19579 6904 1 11 . 1 1 35 35 ALA C C 35 179.101 179.101 179.465 -0.364 19579 6905 1 11 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.936 0.483 19579 6906 1 11 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.325 0.959 19579 6907 1 11 . 1 1 35 35 ALA H H 35 7.443 7.443 8.264 -0.821 19579 6908 1 11 . 1 1 36 36 ALA N N 36 118.503 118.503 120.072 -1.569 19579 6909 1 11 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.962 -0.207 19579 6910 1 11 . 1 1 36 36 ALA C C 36 180.745 180.745 179.741 1.004 19579 6911 1 11 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.973 0.568 19579 6912 1 11 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.920 -0.894 19579 6913 1 11 . 1 1 36 36 ALA H H 36 7.484 7.484 7.737 -0.253 19579 6914 1 11 . 1 1 37 37 SER N N 37 114.688 114.688 112.762 1.926 19579 6915 1 11 . 1 1 37 37 SER HA H 37 4.170 4.170 4.323 -0.153 19579 6916 1 11 . 1 1 37 37 SER C C 37 177.214 177.214 176.018 1.196 19579 6917 1 11 . 1 1 37 37 SER CA C 37 61.628 61.628 61.241 0.387 19579 6918 1 11 . 1 1 37 37 SER CB C 37 62.653 62.653 63.081 -0.428 19579 6919 1 11 . 1 1 37 37 SER H H 37 8.178 8.178 8.063 0.115 19579 6920 1 11 . 1 1 38 38 ARG N N 38 123.817 123.817 121.578 2.239 19579 6921 1 11 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.159 -0.155 19579 6922 1 11 . 1 1 38 38 ARG C C 38 179.564 179.564 178.799 0.765 19579 6923 1 11 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.967 1.690 19579 6924 1 11 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.505 1.308 19579 6925 1 11 . 1 1 38 38 ARG H H 38 7.882 7.882 7.483 0.399 19579 6926 1 11 . 1 1 39 39 VAL N N 39 120.446 120.446 120.124 0.322 19579 6927 1 11 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.540 -0.211 19579 6928 1 11 . 1 1 39 39 VAL C C 39 178.505 178.505 177.508 0.997 19579 6929 1 11 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.849 1.345 19579 6930 1 11 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.571 -0.001 19579 6931 1 11 . 1 1 39 39 VAL H H 39 8.543 8.543 8.469 0.074 19579 6932 1 11 . 1 1 40 40 SER N N 40 114.009 114.009 114.283 -0.274 19579 6933 1 11 . 1 1 40 40 SER HA H 40 4.080 4.080 4.020 0.060 19579 6934 1 11 . 1 1 40 40 SER C C 40 176.340 176.340 176.347 -0.007 19579 6935 1 11 . 1 1 40 40 SER CA C 40 62.940 62.940 61.826 1.114 19579 6936 1 11 . 1 1 40 40 SER CB C 40 62.953 62.953 62.620 0.333 19579 6937 1 11 . 1 1 40 40 SER H H 40 8.602 8.602 7.988 0.614 19579 6938 1 11 . 1 1 41 41 SER N N 41 114.648 114.648 115.985 -1.337 19579 6939 1 11 . 1 1 41 41 SER HA H 41 4.333 4.333 4.485 -0.152 19579 6940 1 11 . 1 1 41 41 SER C C 41 174.390 174.390 175.255 -0.865 19579 6941 1 11 . 1 1 41 41 SER CA C 41 60.828 60.828 60.289 0.539 19579 6942 1 11 . 1 1 41 41 SER CB C 41 63.563 63.563 63.370 0.193 19579 6943 1 11 . 1 1 41 41 SER H H 41 8.003 8.003 7.593 0.410 19579 6944 1 11 . 1 1 42 42 ASN N N 42 117.849 117.849 119.884 -2.035 19579 6945 1 11 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.884 0.080 19579 6946 1 11 . 1 1 42 42 ASN C C 42 174.677 174.677 176.804 -2.127 19579 6947 1 11 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.635 0.728 19579 6948 1 11 . 1 1 42 42 ASN CB C 42 42.266 42.266 39.840 2.425 19579 6949 1 11 . 1 1 42 42 ASN H H 42 7.600 7.600 7.697 -0.097 19579 6950 1 11 . 1 1 43 43 ILE N N 43 116.952 116.952 118.111 -1.159 19579 6951 1 11 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.751 -0.080 19579 6952 1 11 . 1 1 43 43 ILE C C 43 176.773 176.773 177.111 -0.338 19579 6953 1 11 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.096 0.131 19579 6954 1 11 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.203 0.207 19579 6955 1 11 . 1 1 43 43 ILE H H 43 7.336 7.336 8.545 -1.209 19579 6956 1 11 . 1 1 44 44 ALA N N 44 122.396 122.396 121.513 0.883 19579 6957 1 11 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.962 0.074 19579 6958 1 11 . 1 1 44 44 ALA C C 44 180.304 180.304 178.599 1.705 19579 6959 1 11 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.580 0.808 19579 6960 1 11 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.119 -0.630 19579 6961 1 11 . 1 1 44 44 ALA H H 44 8.617 8.617 8.405 0.212 19579 6962 1 11 . 1 1 45 45 ALA N N 45 120.804 120.804 121.586 -0.782 19579 6963 1 11 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.184 -0.131 19579 6964 1 11 . 1 1 45 45 ALA C C 45 180.591 180.591 179.445 1.146 19579 6965 1 11 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.736 0.016 19579 6966 1 11 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.664 -0.047 19579 6967 1 11 . 1 1 45 45 ALA H H 45 7.913 7.913 7.566 0.347 19579 6968 1 11 . 1 1 46 46 ILE N N 46 117.637 117.637 118.783 -1.146 19579 6969 1 11 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.809 -0.181 19579 6970 1 11 . 1 1 46 46 ILE C C 46 177.612 177.612 178.018 -0.406 19579 6971 1 11 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.604 -1.325 19579 6972 1 11 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.784 -0.124 19579 6973 1 11 . 1 1 46 46 ILE H H 46 7.313 7.313 7.613 -0.300 19579 6974 1 11 . 1 1 47 47 ALA N N 47 121.493 121.493 121.253 0.240 19579 6975 1 11 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.164 -0.220 19579 6976 1 11 . 1 1 47 47 ALA C C 47 178.538 178.538 178.577 -0.039 19579 6977 1 11 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.645 0.742 19579 6978 1 11 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.764 0.215 19579 6979 1 11 . 1 1 47 47 ALA H H 47 8.413 8.413 8.434 -0.021 19579 6980 1 11 . 1 1 48 48 SER N N 48 109.024 109.024 113.748 -4.724 19579 6981 1 11 . 1 1 48 48 SER HA H 48 4.352 4.352 4.504 -0.152 19579 6982 1 11 . 1 1 48 48 SER C C 48 176.056 176.056 176.441 -0.385 19579 6983 1 11 . 1 1 48 48 SER CA C 48 59.977 59.977 60.238 -0.261 19579 6984 1 11 . 1 1 48 48 SER CB C 48 63.838 63.838 63.935 -0.097 19579 6985 1 11 . 1 1 48 48 SER H H 48 8.030 8.030 7.626 0.404 19579 6986 1 11 . 1 1 49 49 GLY N N 49 108.121 108.121 105.817 2.304 19579 6987 1 11 . 1 1 49 49 GLY C C 49 174.820 174.820 174.940 -0.120 19579 6988 1 11 . 1 1 49 49 GLY CA C 49 45.193 45.193 44.705 0.488 19579 6989 1 11 . 1 1 49 49 GLY H H 49 8.048 8.048 8.468 -0.420 19579 6990 1 11 . 1 1 50 50 GLY N N 50 111.955 111.955 109.352 2.603 19579 6991 1 11 . 1 1 50 50 GLY C C 50 174.975 174.975 173.868 1.107 19579 6992 1 11 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.052 0.130 19579 6993 1 11 . 1 1 50 50 GLY H H 50 8.409 8.409 7.708 0.701 19579 6994 1 11 . 1 1 51 51 ALA N N 51 126.247 126.247 123.708 2.539 19579 6995 1 11 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.511 -0.692 19579 6996 1 11 . 1 1 51 51 ALA C C 51 179.697 179.697 179.725 -0.028 19579 6997 1 11 . 1 1 51 51 ALA CA C 51 55.060 55.060 53.513 1.547 19579 6998 1 11 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.733 -1.454 19579 6999 1 11 . 1 1 51 51 ALA H H 51 9.119 9.119 7.728 1.391 19579 7000 1 11 . 1 1 52 52 SER N N 52 111.975 111.975 116.821 -4.846 19579 7001 1 11 . 1 1 52 52 SER HA H 52 4.222 4.222 4.237 -0.015 19579 7002 1 11 . 1 1 52 52 SER C C 52 174.983 174.983 175.036 -0.053 19579 7003 1 11 . 1 1 52 52 SER CA C 52 60.814 60.814 60.833 -0.019 19579 7004 1 11 . 1 1 52 52 SER CB C 52 62.977 62.977 62.952 0.025 19579 7005 1 11 . 1 1 52 52 SER H H 52 8.231 8.231 8.669 -0.438 19579 7006 1 11 . 1 1 53 53 ALA N N 53 122.484 122.484 121.611 0.873 19579 7007 1 11 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.359 0.043 19579 7008 1 11 . 1 1 53 53 ALA C C 53 177.391 177.391 178.174 -0.783 19579 7009 1 11 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.669 -0.542 19579 7010 1 11 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.964 0.982 19579 7011 1 11 . 1 1 53 53 ALA H H 53 7.602 7.602 8.014 -0.412 19579 7012 1 11 . 1 1 54 54 LEU N N 54 117.414 117.414 120.625 -3.211 19579 7013 1 11 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.092 -0.213 19579 7014 1 11 . 1 1 54 54 LEU C C 54 174.434 174.434 176.152 -1.718 19579 7015 1 11 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.523 -0.208 19579 7016 1 11 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.577 0.043 19579 7017 1 11 . 1 1 54 54 LEU H H 54 7.408 7.408 7.651 -0.243 19579 7018 1 11 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.327 -0.136 19579 7019 1 11 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.491 1.443 19579 7020 1 11 . 1 1 55 55 PRO CB C 55 31.050 31.050 30.977 0.073 19579 7021 1 11 . 1 1 56 56 SER N N 56 113.559 113.559 114.197 -0.638 19579 7022 1 11 . 1 1 56 56 SER HA H 56 4.234 4.234 4.432 -0.198 19579 7023 1 11 . 1 1 56 56 SER C C 56 176.552 176.552 176.393 0.159 19579 7024 1 11 . 1 1 56 56 SER CA C 56 61.233 61.233 61.186 0.047 19579 7025 1 11 . 1 1 56 56 SER CB C 56 62.733 62.733 63.169 -0.436 19579 7026 1 11 . 1 1 56 56 SER H H 56 7.834 7.834 7.456 0.378 19579 7027 1 11 . 1 1 57 57 VAL N N 57 123.292 123.292 123.500 -0.208 19579 7028 1 11 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.040 -0.297 19579 7029 1 11 . 1 1 57 57 VAL C C 57 178.042 178.042 178.165 -0.123 19579 7030 1 11 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.594 0.866 19579 7031 1 11 . 1 1 57 57 VAL CB C 57 31.768 31.768 31.634 0.134 19579 7032 1 11 . 1 1 57 57 VAL H H 57 8.263 8.263 8.022 0.241 19579 7033 1 11 . 1 1 58 58 ILE N N 58 118.510 118.510 119.821 -1.311 19579 7034 1 11 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.675 0.009 19579 7035 1 11 . 1 1 58 58 ILE C C 58 176.221 176.221 178.041 -1.820 19579 7036 1 11 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.197 -1.115 19579 7037 1 11 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.570 -0.221 19579 7038 1 11 . 1 1 58 58 ILE H H 58 8.873 8.873 8.674 0.199 19579 7039 1 11 . 1 1 59 59 SER N N 59 114.238 114.238 113.722 0.516 19579 7040 1 11 . 1 1 59 59 SER HA H 59 4.305 4.305 4.565 -0.260 19579 7041 1 11 . 1 1 59 59 SER C C 59 177.534 177.534 176.573 0.961 19579 7042 1 11 . 1 1 59 59 SER CA C 59 61.586 61.586 60.825 0.761 19579 7043 1 11 . 1 1 59 59 SER CB C 59 62.951 62.951 62.799 0.152 19579 7044 1 11 . 1 1 59 59 SER H H 59 7.388 7.388 8.399 -1.011 19579 7045 1 11 . 1 1 60 60 ASN N N 60 120.810 120.810 120.672 0.138 19579 7046 1 11 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.633 -0.273 19579 7047 1 11 . 1 1 60 60 ASN C C 60 178.616 178.616 177.919 0.697 19579 7048 1 11 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.757 0.958 19579 7049 1 11 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.741 0.255 19579 7050 1 11 . 1 1 60 60 ASN H H 60 8.147 8.147 7.506 0.641 19579 7051 1 11 . 1 1 61 61 ILE N N 61 121.116 121.116 120.713 0.403 19579 7052 1 11 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.661 -0.140 19579 7053 1 11 . 1 1 61 61 ILE C C 61 176.972 176.972 177.500 -0.528 19579 7054 1 11 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.296 1.266 19579 7055 1 11 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.006 1.000 19579 7056 1 11 . 1 1 61 61 ILE H H 61 8.642 8.642 8.256 0.386 19579 7057 1 11 . 1 1 62 62 TYR N N 62 119.953 119.953 119.955 -0.002 19579 7058 1 11 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.961 -0.338 19579 7059 1 11 . 1 1 62 62 TYR C C 62 176.828 176.828 177.374 -0.546 19579 7060 1 11 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.466 1.617 19579 7061 1 11 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.172 0.803 19579 7062 1 11 . 1 1 62 62 TYR H H 62 9.192 9.192 7.903 1.289 19579 7063 1 11 . 1 1 63 63 SER N N 63 111.464 111.464 113.695 -2.231 19579 7064 1 11 . 1 1 63 63 SER HA H 63 4.035 4.035 4.226 -0.191 19579 7065 1 11 . 1 1 63 63 SER C C 63 177.325 177.325 176.967 0.358 19579 7066 1 11 . 1 1 63 63 SER CA C 63 62.027 62.027 60.883 1.144 19579 7067 1 11 . 1 1 63 63 SER CB C 63 62.565 62.565 62.544 0.021 19579 7068 1 11 . 1 1 63 63 SER H H 63 8.320 8.320 7.932 0.388 19579 7069 1 11 . 1 1 64 64 GLY N N 64 110.383 110.383 109.639 0.744 19579 7070 1 11 . 1 1 64 64 GLY C C 64 175.581 175.581 175.638 -0.057 19579 7071 1 11 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.386 0.928 19579 7072 1 11 . 1 1 64 64 GLY H H 64 7.724 7.724 7.619 0.105 19579 7073 1 11 . 1 1 65 65 VAL N N 65 124.665 124.665 122.762 1.903 19579 7074 1 11 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.540 -0.296 19579 7075 1 11 . 1 1 65 65 VAL C C 65 180.072 180.072 177.962 2.110 19579 7076 1 11 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.877 1.127 19579 7077 1 11 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.785 -0.077 19579 7078 1 11 . 1 1 65 65 VAL H H 65 8.584 8.584 7.576 1.008 19579 7079 1 11 . 1 1 66 66 VAL N N 66 120.803 120.803 117.440 3.363 19579 7080 1 11 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.534 0.189 19579 7081 1 11 . 1 1 66 66 VAL C C 66 179.829 179.829 177.065 2.764 19579 7082 1 11 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.366 0.849 19579 7083 1 11 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.354 0.401 19579 7084 1 11 . 1 1 66 66 VAL H H 66 8.305 8.305 7.521 0.784 19579 7085 1 11 . 1 1 67 67 ALA N N 67 123.266 123.266 120.536 2.730 19579 7086 1 11 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.134 0.030 19579 7087 1 11 . 1 1 67 67 ALA C C 67 178.560 178.560 178.830 -0.270 19579 7088 1 11 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.277 0.147 19579 7089 1 11 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.326 -0.315 19579 7090 1 11 . 1 1 67 67 ALA H H 67 7.979 7.979 7.566 0.413 19579 7091 1 11 . 1 1 68 68 SER N N 68 112.669 112.669 114.304 -1.635 19579 7092 1 11 . 1 1 68 68 SER HA H 68 4.436 4.436 4.337 0.099 19579 7093 1 11 . 1 1 68 68 SER C C 68 174.555 174.555 175.272 -0.717 19579 7094 1 11 . 1 1 68 68 SER CA C 68 59.634 59.634 59.835 -0.201 19579 7095 1 11 . 1 1 68 68 SER CB C 68 63.943 63.943 63.789 0.154 19579 7096 1 11 . 1 1 68 68 SER H H 68 7.674 7.674 7.693 -0.019 19579 7097 1 11 . 1 1 69 69 GLY N N 69 109.146 109.146 109.290 -0.144 19579 7098 1 11 . 1 1 69 69 GLY C C 69 173.904 173.904 173.934 -0.030 19579 7099 1 11 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.703 0.528 19579 7100 1 11 . 1 1 69 69 GLY H H 69 7.939 7.939 7.493 0.446 19579 7101 1 11 . 1 1 70 70 VAL N N 70 119.926 119.926 118.588 1.338 19579 7102 1 11 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.218 -0.308 19579 7103 1 11 . 1 1 70 70 VAL C C 70 174.997 174.997 175.473 -0.476 19579 7104 1 11 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.958 1.326 19579 7105 1 11 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.374 -0.950 19579 7106 1 11 . 1 1 70 70 VAL H H 70 6.723 6.723 7.407 -0.684 19579 7107 1 11 . 1 1 71 71 SER N N 71 120.581 120.581 118.579 2.002 19579 7108 1 11 . 1 1 71 71 SER HA H 71 4.386 4.386 4.362 0.024 19579 7109 1 11 . 1 1 71 71 SER C C 71 175.559 175.559 175.200 0.359 19579 7110 1 11 . 1 1 71 71 SER CA C 71 58.441 58.441 58.832 -0.391 19579 7111 1 11 . 1 1 71 71 SER CB C 71 64.632 64.632 64.094 0.538 19579 7112 1 11 . 1 1 71 71 SER H H 71 8.577 8.577 8.631 -0.054 19579 7113 1 11 . 1 1 72 72 SER N N 72 117.898 117.898 118.128 -0.230 19579 7114 1 11 . 1 1 72 72 SER HA H 72 4.083 4.083 3.992 0.091 19579 7115 1 11 . 1 1 72 72 SER C C 72 176.255 176.255 176.430 -0.175 19579 7116 1 11 . 1 1 72 72 SER CA C 72 61.586 61.586 62.204 -0.618 19579 7117 1 11 . 1 1 72 72 SER CB C 72 62.622 62.622 63.359 -0.737 19579 7118 1 11 . 1 1 72 72 SER H H 72 8.889 8.889 8.911 -0.022 19579 7119 1 11 . 1 1 73 73 ASN N N 73 118.976 118.976 117.075 1.901 19579 7120 1 11 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.425 0.232 19579 7121 1 11 . 1 1 73 73 ASN C C 73 176.506 176.506 177.167 -0.661 19579 7122 1 11 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.548 0.513 19579 7123 1 11 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.112 -0.112 19579 7124 1 11 . 1 1 73 73 ASN H H 73 8.519 8.519 8.725 -0.206 19579 7125 1 11 . 1 1 74 74 GLU N N 74 118.543 118.543 118.505 0.038 19579 7126 1 11 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.004 0.106 19579 7127 1 11 . 1 1 74 74 GLU C C 74 176.994 176.994 177.883 -0.889 19579 7128 1 11 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.434 -0.407 19579 7129 1 11 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.309 2.054 19579 7130 1 11 . 1 1 74 74 GLU H H 74 7.768 7.768 8.295 -0.527 19579 7131 1 11 . 1 1 75 75 ALA N N 75 121.901 121.901 123.744 -1.843 19579 7132 1 11 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.897 -0.207 19579 7133 1 11 . 1 1 75 75 ALA C C 75 178.318 178.318 178.942 -0.624 19579 7134 1 11 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.336 -0.108 19579 7135 1 11 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.236 0.405 19579 7136 1 11 . 1 1 75 75 ALA H H 75 8.069 8.069 8.341 -0.272 19579 7137 1 11 . 1 1 76 76 LEU N N 76 117.360 117.360 119.555 -2.195 19579 7138 1 11 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.238 -0.128 19579 7139 1 11 . 1 1 76 76 LEU C C 76 177.854 177.854 178.576 -0.722 19579 7140 1 11 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.692 0.322 19579 7141 1 11 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.135 -1.367 19579 7142 1 11 . 1 1 76 76 LEU H H 76 8.121 8.121 7.400 0.721 19579 7143 1 11 . 1 1 77 77 ILE N N 77 116.714 116.714 119.669 -2.955 19579 7144 1 11 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.609 -0.157 19579 7145 1 11 . 1 1 77 77 ILE C C 77 176.883 176.883 177.883 -1.000 19579 7146 1 11 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.945 -0.687 19579 7147 1 11 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.730 0.012 19579 7148 1 11 . 1 1 77 77 ILE H H 77 7.607 7.607 7.664 -0.057 19579 7149 1 11 . 1 1 78 78 GLN N N 78 119.338 119.338 119.556 -0.218 19579 7150 1 11 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.851 -0.219 19579 7151 1 11 . 1 1 78 78 GLN C C 78 177.521 177.521 178.186 -0.665 19579 7152 1 11 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.493 0.827 19579 7153 1 11 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.547 -0.371 19579 7154 1 11 . 1 1 78 78 GLN H H 78 8.119 8.119 8.498 -0.379 19579 7155 1 11 . 1 1 79 79 ALA N N 79 119.218 119.218 122.236 -3.018 19579 7156 1 11 . 1 1 79 79 ALA HA H 79 3.872 3.872 3.977 -0.105 19579 7157 1 11 . 1 1 79 79 ALA C C 79 179.311 179.311 179.835 -0.524 19579 7158 1 11 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.172 -0.347 19579 7159 1 11 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.280 -0.461 19579 7160 1 11 . 1 1 79 79 ALA H H 79 8.639 8.639 7.499 1.140 19579 7161 1 11 . 1 1 80 80 LEU N N 80 116.262 116.262 118.761 -2.499 19579 7162 1 11 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.969 -0.070 19579 7163 1 11 . 1 1 80 80 LEU C C 80 178.914 178.914 179.360 -0.446 19579 7164 1 11 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.589 0.422 19579 7165 1 11 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.768 -0.153 19579 7166 1 11 . 1 1 80 80 LEU H H 80 8.450 8.450 7.799 0.651 19579 7167 1 11 . 1 1 81 81 LEU N N 81 118.995 118.995 120.313 -1.318 19579 7168 1 11 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.920 0.052 19579 7169 1 11 . 1 1 81 81 LEU C C 81 180.127 180.127 179.216 0.911 19579 7170 1 11 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.620 -0.637 19579 7171 1 11 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.029 1.514 19579 7172 1 11 . 1 1 81 81 LEU H H 81 8.151 8.151 8.730 -0.579 19579 7173 1 11 . 1 1 82 82 GLU N N 82 124.890 124.890 119.901 4.989 19579 7174 1 11 . 1 1 82 82 GLU HA H 82 3.633 3.633 3.998 -0.365 19579 7175 1 11 . 1 1 82 82 GLU C C 82 178.505 178.505 179.370 -0.865 19579 7176 1 11 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.292 2.008 19579 7177 1 11 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.572 0.207 19579 7178 1 11 . 1 1 82 82 GLU H H 82 8.659 8.659 8.453 0.206 19579 7179 1 11 . 1 1 83 83 LEU N N 83 121.487 121.487 121.073 0.414 19579 7180 1 11 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.096 -0.276 19579 7181 1 11 . 1 1 83 83 LEU C C 83 178.163 178.163 178.947 -0.784 19579 7182 1 11 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.880 0.275 19579 7183 1 11 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.360 0.274 19579 7184 1 11 . 1 1 83 83 LEU H H 83 8.658 8.658 8.044 0.614 19579 7185 1 11 . 1 1 84 84 LEU N N 84 118.904 118.904 116.333 2.571 19579 7186 1 11 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.171 -0.385 19579 7187 1 11 . 1 1 84 84 LEU C C 84 178.064 178.064 178.197 -0.133 19579 7188 1 11 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.578 2.085 19579 7189 1 11 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.500 1.705 19579 7190 1 11 . 1 1 84 84 LEU H H 84 8.803 8.803 8.453 0.350 19579 7191 1 11 . 1 1 85 85 SER N N 85 114.347 114.347 113.693 0.654 19579 7192 1 11 . 1 1 85 85 SER HA H 85 4.211 4.211 4.545 -0.334 19579 7193 1 11 . 1 1 85 85 SER C C 85 174.633 174.633 174.895 -0.262 19579 7194 1 11 . 1 1 85 85 SER CA C 85 62.957 62.957 60.493 2.464 19579 7195 1 11 . 1 1 85 85 SER CB C 85 62.947 62.947 63.925 -0.978 19579 7196 1 11 . 1 1 85 85 SER H H 85 7.879 7.879 7.443 0.436 19579 7197 1 11 . 1 1 86 86 ALA N N 86 124.206 124.206 125.682 -1.476 19579 7198 1 11 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.132 -0.362 19579 7199 1 11 . 1 1 86 86 ALA C C 86 178.538 178.538 178.889 -0.351 19579 7200 1 11 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.149 0.217 19579 7201 1 11 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.484 -1.140 19579 7202 1 11 . 1 1 86 86 ALA H H 86 8.199 8.199 7.552 0.647 19579 7203 1 11 . 1 1 87 87 LEU N N 87 116.463 116.463 115.593 0.870 19579 7204 1 11 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.202 -0.381 19579 7205 1 11 . 1 1 87 87 LEU C C 87 178.709 178.709 178.243 0.466 19579 7206 1 11 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.985 0.369 19579 7207 1 11 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.569 2.025 19579 7208 1 11 . 1 1 87 87 LEU H H 87 8.140 8.140 7.641 0.499 19579 7209 1 11 . 1 1 88 88 VAL N N 88 118.854 118.854 118.279 0.575 19579 7210 1 11 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.836 -0.433 19579 7211 1 11 . 1 1 88 88 VAL C C 88 177.766 177.766 177.465 0.301 19579 7212 1 11 . 1 1 88 88 VAL CA C 88 66.665 66.665 65.096 1.569 19579 7213 1 11 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.049 0.398 19579 7214 1 11 . 1 1 88 88 VAL H H 88 8.716 8.716 7.896 0.820 19579 7215 1 11 . 1 1 89 89 HIS N N 89 121.227 121.227 119.662 1.565 19579 7216 1 11 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.364 -0.325 19579 7217 1 11 . 1 1 89 89 HIS C C 89 178.880 178.880 177.018 1.862 19579 7218 1 11 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.074 1.248 19579 7219 1 11 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.240 1.508 19579 7220 1 11 . 1 1 89 89 HIS H H 89 8.664 8.664 7.501 1.163 19579 7221 1 11 . 1 1 90 90 VAL N N 90 118.094 118.094 117.888 0.206 19579 7222 1 11 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.920 -0.353 19579 7223 1 11 . 1 1 90 90 VAL C C 90 177.733 177.733 177.516 0.217 19579 7224 1 11 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.507 1.323 19579 7225 1 11 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.319 0.281 19579 7226 1 11 . 1 1 90 90 VAL H H 90 7.994 7.994 7.796 0.198 19579 7227 1 11 . 1 1 91 91 LEU N N 91 119.672 119.672 120.035 -0.363 19579 7228 1 11 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.081 -0.249 19579 7229 1 11 . 1 1 91 91 LEU C C 91 178.869 178.869 178.960 -0.091 19579 7230 1 11 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.631 0.127 19579 7231 1 11 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.132 1.807 19579 7232 1 11 . 1 1 91 91 LEU H H 91 8.393 8.393 7.980 0.413 19579 7233 1 11 . 1 1 92 92 SER N N 92 113.554 113.554 113.537 0.017 19579 7234 1 11 . 1 1 92 92 SER HA H 92 4.297 4.297 4.219 0.078 19579 7235 1 11 . 1 1 92 92 SER C C 92 174.500 174.500 175.801 -1.301 19579 7236 1 11 . 1 1 92 92 SER CA C 92 61.410 61.410 60.844 0.566 19579 7237 1 11 . 1 1 92 92 SER CB C 92 63.254 63.254 63.106 0.148 19579 7238 1 11 . 1 1 92 92 SER H H 92 7.900 7.900 7.664 0.236 19579 7239 1 11 . 1 1 93 93 SER N N 93 115.055 115.055 115.556 -0.501 19579 7240 1 11 . 1 1 93 93 SER HA H 93 4.704 4.704 4.555 0.149 19579 7241 1 11 . 1 1 93 93 SER C C 93 173.044 173.044 175.471 -2.427 19579 7242 1 11 . 1 1 93 93 SER CA C 93 57.967 57.967 58.954 -0.987 19579 7243 1 11 . 1 1 93 93 SER CB C 93 64.574 64.574 63.810 0.764 19579 7244 1 11 . 1 1 93 93 SER H H 93 7.420 7.420 7.541 -0.121 19579 7245 1 11 . 1 1 94 94 ALA N N 94 124.504 124.504 125.044 -0.540 19579 7246 1 11 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.242 0.387 19579 7247 1 11 . 1 1 94 94 ALA C C 94 176.199 176.199 177.586 -1.387 19579 7248 1 11 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.906 -2.437 19579 7249 1 11 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.807 2.813 19579 7250 1 11 . 1 1 94 94 ALA H H 94 7.476 7.476 7.486 -0.010 19579 7251 1 11 . 1 1 95 95 SER N N 95 115.739 115.739 111.699 4.040 19579 7252 1 11 . 1 1 95 95 SER HA H 95 4.758 4.758 4.101 0.657 19579 7253 1 11 . 1 1 95 95 SER C C 95 174.136 174.136 174.447 -0.311 19579 7254 1 11 . 1 1 95 95 SER CA C 95 57.343 57.343 58.775 -1.432 19579 7255 1 11 . 1 1 95 95 SER CB C 95 63.303 63.303 60.775 2.528 19579 7256 1 11 . 1 1 95 95 SER H H 95 8.483 8.483 7.877 0.606 19579 7257 1 11 . 1 1 96 96 ILE N N 96 128.288 128.288 120.872 7.416 19579 7258 1 11 . 1 1 96 96 ILE HA H 96 3.993 3.993 3.957 0.036 19579 7259 1 11 . 1 1 96 96 ILE C C 96 175.868 175.868 177.242 -1.374 19579 7260 1 11 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.390 -1.028 19579 7261 1 11 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.855 -0.242 19579 7262 1 11 . 1 1 96 96 ILE H H 96 8.869 8.869 8.229 0.640 19579 7263 1 11 . 1 1 97 97 GLY N N 97 115.495 115.495 116.367 -0.872 19579 7264 1 11 . 1 1 97 97 GLY C C 97 173.022 173.022 173.781 -0.759 19579 7265 1 11 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.091 -0.221 19579 7266 1 11 . 1 1 97 97 GLY H H 97 8.272 8.272 8.544 -0.272 19579 7267 1 11 . 1 1 98 98 ASN N N 98 120.819 120.819 119.782 1.037 19579 7268 1 11 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.897 -0.249 19579 7269 1 11 . 1 1 98 98 ASN C C 98 174.809 174.809 174.424 0.385 19579 7270 1 11 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.668 0.758 19579 7271 1 11 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.511 -0.846 19579 7272 1 11 . 1 1 98 98 ASN H H 98 8.420 8.420 8.362 0.058 19579 7273 1 11 . 1 1 99 99 VAL N N 99 122.960 122.960 124.439 -1.479 19579 7274 1 11 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.277 -0.103 19579 7275 1 11 . 1 1 99 99 VAL C C 99 174.500 174.500 175.490 -0.990 19579 7276 1 11 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.908 -0.540 19579 7277 1 11 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.959 0.447 19579 7278 1 11 . 1 1 99 99 VAL H H 99 8.292 8.292 8.410 -0.118 19579 7279 1 11 . 1 1 100 100 SER N N 100 120.723 120.723 119.350 1.373 19579 7280 1 11 . 1 1 100 100 SER HA H 100 4.756 4.756 4.726 0.030 19579 7281 1 11 . 1 1 100 100 SER C C 100 174.235 174.235 175.376 -1.141 19579 7282 1 11 . 1 1 100 100 SER CA C 100 56.687 56.687 57.633 -0.946 19579 7283 1 11 . 1 1 100 100 SER CB C 100 64.904 64.904 64.308 0.596 19579 7284 1 11 . 1 1 100 100 SER H H 100 8.644 8.644 8.578 0.066 19579 7285 1 11 . 1 1 101 101 SER N N 101 117.236 117.236 123.335 -6.099 19579 7286 1 11 . 1 1 101 101 SER HA H 101 4.130 4.130 4.465 -0.335 19579 7287 1 11 . 1 1 101 101 SER CA C 101 59.000 59.000 57.889 1.111 19579 7288 1 11 . 1 1 101 101 SER CB C 101 63.104 63.104 62.693 0.411 19579 7289 1 11 . 1 1 102 102 VAL N N 102 124.874 124.874 121.557 3.317 19579 7290 1 11 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.157 -0.336 19579 7291 1 11 . 1 1 102 102 VAL C C 102 177.545 177.545 175.776 1.769 19579 7292 1 11 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.787 2.795 19579 7293 1 11 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.357 -0.877 19579 7294 1 11 . 1 1 102 102 VAL H H 102 8.090 8.090 7.516 0.574 19579 7295 1 11 . 1 1 103 103 GLY N N 103 114.589 114.589 115.584 -0.995 19579 7296 1 11 . 1 1 103 103 GLY C C 103 176.387 176.387 175.273 1.114 19579 7297 1 11 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.041 0.645 19579 7298 1 11 . 1 1 103 103 GLY H H 103 9.051 9.051 8.603 0.448 19579 7299 1 11 . 1 1 104 104 VAL N N 104 121.976 121.976 120.299 1.677 19579 7300 1 11 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.687 -0.339 19579 7301 1 11 . 1 1 104 104 VAL C C 104 176.045 176.045 177.168 -1.123 19579 7302 1 11 . 1 1 104 104 VAL CA C 104 65.889 65.889 65.202 0.687 19579 7303 1 11 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.336 -0.071 19579 7304 1 11 . 1 1 104 104 VAL H H 104 7.753 7.753 7.977 -0.224 19579 7305 1 11 . 1 1 105 105 ASP N N 105 117.868 117.868 118.094 -0.226 19579 7306 1 11 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.347 -0.196 19579 7307 1 11 . 1 1 105 105 ASP C C 105 178.406 178.406 178.302 0.104 19579 7308 1 11 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.350 -0.640 19579 7309 1 11 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.682 -2.030 19579 7310 1 11 . 1 1 105 105 ASP H H 105 8.719 8.719 8.693 0.026 19579 7311 1 11 . 1 1 106 106 SER N N 106 117.500 117.500 114.268 3.232 19579 7312 1 11 . 1 1 106 106 SER HA H 106 4.306 4.306 4.319 -0.013 19579 7313 1 11 . 1 1 106 106 SER C C 106 176.784 176.784 176.470 0.314 19579 7314 1 11 . 1 1 106 106 SER CA C 106 61.523 61.523 61.051 0.472 19579 7315 1 11 . 1 1 106 106 SER CB C 106 62.480 62.480 63.100 -0.620 19579 7316 1 11 . 1 1 106 106 SER H H 106 7.685 7.685 7.710 -0.025 19579 7317 1 11 . 1 1 107 107 THR N N 107 121.741 121.741 119.916 1.825 19579 7318 1 11 . 1 1 107 107 THR HA H 107 4.373 4.373 4.024 0.349 19579 7319 1 11 . 1 1 107 107 THR C C 107 176.227 176.227 177.104 -0.877 19579 7320 1 11 . 1 1 107 107 THR CA C 107 66.648 66.648 66.377 0.271 19579 7321 1 11 . 1 1 107 107 THR CB C 107 66.884 66.884 68.825 -1.941 19579 7322 1 11 . 1 1 107 107 THR H H 107 8.024 8.024 7.543 0.481 19579 7323 1 11 . 1 1 108 108 LEU N N 108 122.175 122.175 121.126 1.049 19579 7324 1 11 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.000 -0.084 19579 7325 1 11 . 1 1 108 108 LEU C C 108 178.560 178.560 178.060 0.500 19579 7326 1 11 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.898 1.272 19579 7327 1 11 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.507 -0.478 19579 7328 1 11 . 1 1 108 108 LEU H H 108 8.475 8.475 8.289 0.186 19579 7329 1 11 . 1 1 109 109 ASN N N 109 116.499 116.499 116.589 -0.090 19579 7330 1 11 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.685 -0.199 19579 7331 1 11 . 1 1 109 109 ASN C C 109 177.181 177.181 177.386 -0.205 19579 7332 1 11 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.581 0.918 19579 7333 1 11 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.589 0.397 19579 7334 1 11 . 1 1 109 109 ASN H H 109 7.567 7.567 7.481 0.086 19579 7335 1 11 . 1 1 110 110 VAL N N 110 121.382 121.382 120.152 1.230 19579 7336 1 11 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.819 0.058 19579 7337 1 11 . 1 1 110 110 VAL C C 110 180.116 180.116 178.156 1.960 19579 7338 1 11 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.015 0.221 19579 7339 1 11 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.215 0.345 19579 7340 1 11 . 1 1 110 110 VAL H H 110 7.978 7.978 7.680 0.298 19579 7341 1 11 . 1 1 111 111 VAL N N 111 123.748 123.748 120.931 2.817 19579 7342 1 11 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.915 -0.557 19579 7343 1 11 . 1 1 111 111 VAL C C 111 177.424 177.424 177.887 -0.463 19579 7344 1 11 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.888 3.294 19579 7345 1 11 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.373 -0.268 19579 7346 1 11 . 1 1 111 111 VAL H H 111 8.228 8.228 7.453 0.775 19579 7347 1 11 . 1 1 112 112 GLN N N 112 120.331 120.331 118.747 1.584 19579 7348 1 11 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.933 -0.335 19579 7349 1 11 . 1 1 112 112 GLN C C 112 178.329 178.329 178.166 0.163 19579 7350 1 11 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.481 0.828 19579 7351 1 11 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.232 1.909 19579 7352 1 11 . 1 1 112 112 GLN H H 112 8.719 8.719 7.684 1.035 19579 7353 1 11 . 1 1 113 113 ASP N N 113 117.931 117.931 116.875 1.056 19579 7354 1 11 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.452 -0.102 19579 7355 1 11 . 1 1 113 113 ASP C C 113 178.406 178.406 177.348 1.058 19579 7356 1 11 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.855 0.174 19579 7357 1 11 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.788 0.506 19579 7358 1 11 . 1 1 113 113 ASP H H 113 8.410 8.410 8.023 0.387 19579 7359 1 11 . 1 1 114 114 SER N N 114 113.798 113.798 113.525 0.273 19579 7360 1 11 . 1 1 114 114 SER HA H 114 4.310 4.310 4.379 -0.069 19579 7361 1 11 . 1 1 114 114 SER C C 114 175.416 175.416 175.783 -0.367 19579 7362 1 11 . 1 1 114 114 SER CA C 114 61.981 61.981 60.480 1.501 19579 7363 1 11 . 1 1 114 114 SER CB C 114 63.618 63.618 64.102 -0.484 19579 7364 1 11 . 1 1 114 114 SER H H 114 7.973 7.973 7.312 0.661 19579 7365 1 11 . 1 1 115 115 VAL N N 115 115.306 115.306 121.327 -6.021 19579 7366 1 11 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.449 -0.242 19579 7367 1 11 . 1 1 115 115 VAL C C 115 177.325 177.325 177.008 0.317 19579 7368 1 11 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.902 1.362 19579 7369 1 11 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.381 -0.014 19579 7370 1 11 . 1 1 115 115 VAL H H 115 8.090 8.090 7.972 0.118 19579 7371 1 11 . 1 1 116 116 GLY N N 116 107.952 107.952 109.678 -1.726 19579 7372 1 11 . 1 1 116 116 GLY C C 116 175.129 175.129 174.958 0.171 19579 7373 1 11 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.494 0.336 19579 7374 1 11 . 1 1 116 116 GLY H H 116 7.991 7.991 7.938 0.053 19579 7375 1 11 . 1 1 117 117 GLN N N 117 116.191 116.191 117.821 -1.630 19579 7376 1 11 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.979 0.074 19579 7377 1 11 . 1 1 117 117 GLN C C 117 176.056 176.056 176.127 -0.071 19579 7378 1 11 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.550 -0.494 19579 7379 1 11 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.591 0.901 19579 7380 1 11 . 1 1 117 117 GLN H H 117 7.721 7.721 8.281 -0.560 19579 7381 1 11 . 1 1 118 118 TYR N N 118 116.504 116.504 116.553 -0.049 19579 7382 1 11 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.419 -0.193 19579 7383 1 11 . 1 1 118 118 TYR C C 118 174.919 174.919 177.013 -2.094 19579 7384 1 11 . 1 1 118 118 TYR CA C 118 58.651 58.651 58.948 -0.297 19579 7385 1 11 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.896 -0.905 19579 7386 1 11 . 1 1 118 118 TYR H H 118 7.685 7.685 7.930 -0.245 19579 7387 1 11 . 1 1 119 119 VAL N N 119 115.145 115.145 115.692 -0.547 19579 7388 1 11 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.987 0.207 19579 7389 1 11 . 1 1 119 119 VAL C C 119 174.666 174.666 176.783 -2.117 19579 7390 1 11 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.004 -2.042 19579 7391 1 11 . 1 1 119 119 VAL CB C 119 32.617 32.617 32.314 0.303 19579 7392 1 11 . 1 1 119 119 VAL H H 119 7.132 7.132 7.609 -0.477 19579 7393 1 12 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.232 0.644 19579 7394 1 12 . 1 1 -2 -2 ASN N N -2 118.808 118.808 122.443 -3.635 19579 7395 1 12 . 1 1 -2 -2 ASN C C -2 175.184 175.184 175.228 -0.044 19579 7396 1 12 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.460 0.939 19579 7397 1 12 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.516 -0.209 19579 7398 1 12 . 1 1 2 2 THR N N 2 116.876 116.876 121.519 -4.643 19579 7399 1 12 . 1 1 2 2 THR HA H 2 4.348 4.348 4.768 -0.420 19579 7400 1 12 . 1 1 2 2 THR C C 2 174.600 174.600 173.861 0.739 19579 7401 1 12 . 1 1 2 2 THR CA C 2 61.785 61.785 61.982 -0.197 19579 7402 1 12 . 1 1 2 2 THR CB C 2 69.800 69.800 69.261 0.539 19579 7403 1 12 . 1 1 2 2 THR H H 2 8.176 8.176 8.331 -0.155 19579 7404 1 12 . 1 1 3 3 SER N N 3 117.968 117.968 121.560 -3.592 19579 7405 1 12 . 1 1 3 3 SER C C 3 174.732 174.732 174.837 -0.105 19579 7406 1 12 . 1 1 3 3 SER CA C 3 58.585 58.585 58.420 0.165 19579 7407 1 12 . 1 1 3 3 SER H H 3 8.248 8.248 8.525 -0.277 19579 7408 1 12 . 1 1 5 5 GLY N N 5 108.381 108.381 108.244 0.137 19579 7409 1 12 . 1 1 5 5 GLY C C 5 173.728 173.728 173.223 0.505 19579 7410 1 12 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.795 -0.580 19579 7411 1 12 . 1 1 5 5 GLY H H 5 8.134 8.134 8.599 -0.465 19579 7412 1 12 . 1 1 6 6 TYR N N 6 120.011 120.011 119.074 0.937 19579 7413 1 12 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.570 -0.106 19579 7414 1 12 . 1 1 6 6 TYR C C 6 176.232 176.232 174.404 1.828 19579 7415 1 12 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.139 1.036 19579 7416 1 12 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.138 -0.374 19579 7417 1 12 . 1 1 6 6 TYR H H 6 8.096 8.096 8.172 -0.076 19579 7418 1 12 . 1 1 7 7 GLY N N 7 110.530 110.530 108.830 1.700 19579 7419 1 12 . 1 1 7 7 GLY C C 7 173.772 173.772 172.953 0.819 19579 7420 1 12 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.767 0.455 19579 7421 1 12 . 1 1 7 7 GLY H H 7 8.283 8.283 8.257 0.026 19579 7422 1 12 . 1 1 8 8 TYR N N 8 120.132 120.132 121.729 -1.597 19579 7423 1 12 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.678 -0.195 19579 7424 1 12 . 1 1 8 8 TYR C C 8 176.420 176.420 175.999 0.421 19579 7425 1 12 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.543 0.791 19579 7426 1 12 . 1 1 8 8 TYR CB C 8 38.745 38.745 38.892 -0.146 19579 7427 1 12 . 1 1 8 8 TYR H H 8 7.987 7.987 8.464 -0.477 19579 7428 1 12 . 1 1 9 9 GLY N N 9 110.831 110.831 111.853 -1.022 19579 7429 1 12 . 1 1 9 9 GLY C C 9 174.335 174.335 174.803 -0.468 19579 7430 1 12 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.715 0.734 19579 7431 1 12 . 1 1 9 9 GLY H H 9 8.400 8.400 8.788 -0.388 19579 7432 1 12 . 1 1 10 10 THR N N 10 113.216 113.216 114.746 -1.530 19579 7433 1 12 . 1 1 10 10 THR HA H 10 4.366 4.366 4.480 -0.114 19579 7434 1 12 . 1 1 10 10 THR C C 10 174.721 174.721 173.914 0.807 19579 7435 1 12 . 1 1 10 10 THR CA C 10 61.829 61.829 62.310 -0.481 19579 7436 1 12 . 1 1 10 10 THR CB C 10 69.881 69.881 68.695 1.186 19579 7437 1 12 . 1 1 10 10 THR H H 10 8.012 8.012 7.820 0.192 19579 7438 1 12 . 1 1 11 11 SER N N 11 117.904 117.904 123.256 -5.352 19579 7439 1 12 . 1 1 11 11 SER HA H 11 4.414 4.414 4.555 -0.141 19579 7440 1 12 . 1 1 11 11 SER C C 11 174.335 174.335 174.223 0.112 19579 7441 1 12 . 1 1 11 11 SER CA C 11 58.363 58.363 57.472 0.891 19579 7442 1 12 . 1 1 11 11 SER CB C 11 63.911 63.911 64.431 -0.520 19579 7443 1 12 . 1 1 11 11 SER H H 11 8.342 8.342 8.065 0.277 19579 7444 1 12 . 1 1 12 12 ALA N N 12 126.003 126.003 129.857 -3.854 19579 7445 1 12 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.209 0.029 19579 7446 1 12 . 1 1 12 12 ALA C C 12 177.468 177.468 176.584 0.884 19579 7447 1 12 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.319 0.453 19579 7448 1 12 . 1 1 12 12 ALA CB C 12 19.088 19.088 18.707 0.381 19579 7449 1 12 . 1 1 12 12 ALA H H 12 8.274 8.274 8.803 -0.529 19579 7450 1 12 . 1 1 13 13 ALA N N 13 122.954 122.954 127.025 -4.071 19579 7451 1 12 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.570 -0.345 19579 7452 1 12 . 1 1 13 13 ALA C C 13 178.207 178.207 176.882 1.325 19579 7453 1 12 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.443 1.136 19579 7454 1 12 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.170 -0.879 19579 7455 1 12 . 1 1 13 13 ALA H H 13 8.121 8.121 7.978 0.143 19579 7456 1 12 . 1 1 14 14 ALA N N 14 123.733 123.733 121.841 1.892 19579 7457 1 12 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.270 -0.013 19579 7458 1 12 . 1 1 14 14 ALA C C 14 178.227 178.227 177.546 0.681 19579 7459 1 12 . 1 1 14 14 ALA CA C 14 52.749 52.749 53.338 -0.589 19579 7460 1 12 . 1 1 14 14 ALA CB C 14 19.276 19.276 18.979 0.297 19579 7461 1 12 . 1 1 14 14 ALA H H 14 8.262 8.262 8.716 -0.454 19579 7462 1 12 . 1 1 15 15 GLY N N 15 108.014 108.014 105.010 3.004 19579 7463 1 12 . 1 1 15 15 GLY C C 15 173.849 173.849 172.831 1.018 19579 7464 1 12 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.738 0.573 19579 7465 1 12 . 1 1 15 15 GLY H H 15 8.239 8.239 7.754 0.485 19579 7466 1 12 . 1 1 16 16 ALA N N 16 123.529 123.529 123.643 -0.114 19579 7467 1 12 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.852 -0.554 19579 7468 1 12 . 1 1 16 16 ALA C C 16 178.108 178.108 175.591 2.517 19579 7469 1 12 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.131 1.580 19579 7470 1 12 . 1 1 16 16 ALA CB C 16 19.316 19.316 22.136 -2.820 19579 7471 1 12 . 1 1 16 16 ALA H H 16 8.102 8.102 8.017 0.085 19579 7472 1 12 . 1 1 17 17 GLY N N 17 108.099 108.099 106.074 2.025 19579 7473 1 12 . 1 1 17 17 GLY C C 17 174.081 174.081 174.038 0.043 19579 7474 1 12 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.709 -0.474 19579 7475 1 12 . 1 1 17 17 GLY H H 17 8.356 8.356 8.455 -0.099 19579 7476 1 12 . 1 1 18 18 VAL N N 18 119.220 119.220 121.236 -2.016 19579 7477 1 12 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.303 -0.236 19579 7478 1 12 . 1 1 18 18 VAL C C 18 175.946 175.946 175.939 0.007 19579 7479 1 12 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.277 1.006 19579 7480 1 12 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.395 0.369 19579 7481 1 12 . 1 1 18 18 VAL H H 18 7.899 7.899 7.778 0.121 19579 7482 1 12 . 1 1 19 19 ALA N N 19 127.804 127.804 121.221 6.583 19579 7483 1 12 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.657 0.630 19579 7484 1 12 . 1 1 19 19 ALA C C 19 177.303 177.303 175.906 1.397 19579 7485 1 12 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.331 -0.871 19579 7486 1 12 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.169 2.130 19579 7487 1 12 . 1 1 19 19 ALA H H 19 8.377 8.377 7.574 0.803 19579 7488 1 12 . 1 1 20 20 ALA N N 20 123.602 123.602 120.630 2.972 19579 7489 1 12 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.658 -0.379 19579 7490 1 12 . 1 1 20 20 ALA C C 20 178.086 178.086 177.666 0.420 19579 7491 1 12 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.771 1.981 19579 7492 1 12 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.347 -1.032 19579 7493 1 12 . 1 1 20 20 ALA H H 20 8.261 8.261 7.880 0.381 19579 7494 1 12 . 1 1 21 21 GLY N N 21 108.033 108.033 114.833 -6.800 19579 7495 1 12 . 1 1 21 21 GLY C C 21 174.213 174.213 174.744 -0.531 19579 7496 1 12 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.469 -1.178 19579 7497 1 12 . 1 1 21 21 GLY H H 21 8.323 8.323 9.097 -0.774 19579 7498 1 12 . 1 1 22 22 SER N N 22 115.596 115.596 118.132 -2.536 19579 7499 1 12 . 1 1 22 22 SER HA H 22 4.369 4.369 4.674 -0.305 19579 7500 1 12 . 1 1 22 22 SER C C 22 175.328 175.328 172.594 2.734 19579 7501 1 12 . 1 1 22 22 SER CA C 22 58.686 58.686 57.365 1.321 19579 7502 1 12 . 1 1 22 22 SER CB C 22 63.915 63.915 64.030 -0.115 19579 7503 1 12 . 1 1 22 22 SER H H 22 8.118 8.118 8.208 -0.090 19579 7504 1 12 . 1 1 23 23 TYR N N 23 121.490 121.490 119.130 2.360 19579 7505 1 12 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.709 -0.940 19579 7506 1 12 . 1 1 23 23 TYR C C 23 175.890 175.890 175.362 0.528 19579 7507 1 12 . 1 1 23 23 TYR CA C 23 57.724 57.724 55.655 2.069 19579 7508 1 12 . 1 1 23 23 TYR CB C 23 37.863 37.863 40.134 -2.271 19579 7509 1 12 . 1 1 23 23 TYR H H 23 8.620 8.620 7.242 1.378 19579 7510 1 12 . 1 1 24 24 ALA N N 24 121.940 121.940 125.811 -3.871 19579 7511 1 12 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.720 -0.839 19579 7512 1 12 . 1 1 24 24 ALA C C 24 179.366 179.366 177.669 1.697 19579 7513 1 12 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.199 3.194 19579 7514 1 12 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.130 -1.589 19579 7515 1 12 . 1 1 24 24 ALA H H 24 8.127 8.127 8.605 -0.478 19579 7516 1 12 . 1 1 25 25 GLY N N 25 106.527 106.527 108.937 -2.410 19579 7517 1 12 . 1 1 25 25 GLY C C 25 175.074 175.074 175.245 -0.171 19579 7518 1 12 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.922 0.275 19579 7519 1 12 . 1 1 25 25 GLY H H 25 8.647 8.647 8.322 0.325 19579 7520 1 12 . 1 1 26 26 ALA N N 26 122.752 122.752 124.837 -2.085 19579 7521 1 12 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.289 -0.262 19579 7522 1 12 . 1 1 26 26 ALA C C 26 177.490 177.490 179.505 -2.015 19579 7523 1 12 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.110 -0.574 19579 7524 1 12 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.452 0.524 19579 7525 1 12 . 1 1 26 26 ALA H H 26 7.552 7.552 8.022 -0.470 19579 7526 1 12 . 1 1 27 27 VAL N N 27 113.110 113.110 115.366 -2.256 19579 7527 1 12 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.657 -0.196 19579 7528 1 12 . 1 1 27 27 VAL C C 27 179.366 179.366 178.055 1.311 19579 7529 1 12 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.115 0.448 19579 7530 1 12 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.411 0.684 19579 7531 1 12 . 1 1 27 27 VAL H H 27 7.283 7.283 7.963 -0.680 19579 7532 1 12 . 1 1 28 28 ASN N N 28 119.671 119.671 119.856 -0.185 19579 7533 1 12 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.424 -0.069 19579 7534 1 12 . 1 1 28 28 ASN C C 28 177.667 177.667 177.269 0.398 19579 7535 1 12 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.934 0.157 19579 7536 1 12 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.911 0.409 19579 7537 1 12 . 1 1 28 28 ASN H H 28 8.374 8.374 8.100 0.274 19579 7538 1 12 . 1 1 29 29 ARG N N 29 116.957 116.957 120.546 -3.589 19579 7539 1 12 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.126 -0.008 19579 7540 1 12 . 1 1 29 29 ARG C C 29 177.457 177.457 178.009 -0.552 19579 7541 1 12 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.574 0.121 19579 7542 1 12 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.027 0.110 19579 7543 1 12 . 1 1 29 29 ARG H H 29 7.860 7.860 7.702 0.158 19579 7544 1 12 . 1 1 30 30 LEU N N 30 121.060 121.060 117.736 3.324 19579 7545 1 12 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.176 -0.222 19579 7546 1 12 . 1 1 30 30 LEU C C 30 174.975 174.975 178.443 -3.468 19579 7547 1 12 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.126 0.096 19579 7548 1 12 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.845 -0.887 19579 7549 1 12 . 1 1 30 30 LEU H H 30 7.524 7.524 7.580 -0.056 19579 7550 1 12 . 1 1 31 31 SER N N 31 106.764 106.764 113.372 -6.608 19579 7551 1 12 . 1 1 31 31 SER HA H 31 4.523 4.523 4.463 0.060 19579 7552 1 12 . 1 1 31 31 SER C C 31 174.666 174.666 173.809 0.857 19579 7553 1 12 . 1 1 31 31 SER CA C 31 57.680 57.680 58.430 -0.750 19579 7554 1 12 . 1 1 31 31 SER CB C 31 63.290 63.290 61.827 1.463 19579 7555 1 12 . 1 1 31 31 SER H H 31 7.046 7.046 8.009 -0.963 19579 7556 1 12 . 1 1 32 32 SER N N 32 117.235 117.235 115.221 2.014 19579 7557 1 12 . 1 1 32 32 SER HA H 32 4.383 4.383 4.701 -0.318 19579 7558 1 12 . 1 1 32 32 SER C C 32 174.677 174.677 174.186 0.491 19579 7559 1 12 . 1 1 32 32 SER CA C 32 58.027 58.027 56.733 1.294 19579 7560 1 12 . 1 1 32 32 SER CB C 32 66.069 66.069 64.224 1.845 19579 7561 1 12 . 1 1 32 32 SER H H 32 7.721 7.721 7.573 0.148 19579 7562 1 12 . 1 1 33 33 ALA N N 33 126.048 126.048 124.304 1.744 19579 7563 1 12 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.184 -0.086 19579 7564 1 12 . 1 1 33 33 ALA C C 33 180.822 180.822 179.569 1.253 19579 7565 1 12 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.805 -0.064 19579 7566 1 12 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.688 -0.659 19579 7567 1 12 . 1 1 33 33 ALA H H 33 8.980 8.980 8.722 0.258 19579 7568 1 12 . 1 1 34 34 GLU N N 34 117.978 117.978 119.350 -1.372 19579 7569 1 12 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.900 0.035 19579 7570 1 12 . 1 1 34 34 GLU C C 34 178.560 178.560 178.717 -0.157 19579 7571 1 12 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.152 1.222 19579 7572 1 12 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.306 -0.493 19579 7573 1 12 . 1 1 34 34 GLU H H 34 8.993 8.993 8.170 0.823 19579 7574 1 12 . 1 1 35 35 ALA N N 35 123.748 123.748 121.878 1.870 19579 7575 1 12 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.330 -0.279 19579 7576 1 12 . 1 1 35 35 ALA C C 35 179.101 179.101 179.599 -0.498 19579 7577 1 12 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.937 0.482 19579 7578 1 12 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.313 0.971 19579 7579 1 12 . 1 1 35 35 ALA H H 35 7.443 7.443 7.867 -0.424 19579 7580 1 12 . 1 1 36 36 ALA N N 36 118.503 118.503 120.155 -1.652 19579 7581 1 12 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.911 -0.156 19579 7582 1 12 . 1 1 36 36 ALA C C 36 180.745 180.745 179.738 1.007 19579 7583 1 12 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.076 0.465 19579 7584 1 12 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.959 -0.933 19579 7585 1 12 . 1 1 36 36 ALA H H 36 7.484 7.484 7.826 -0.342 19579 7586 1 12 . 1 1 37 37 SER N N 37 114.688 114.688 113.316 1.372 19579 7587 1 12 . 1 1 37 37 SER HA H 37 4.170 4.170 4.329 -0.159 19579 7588 1 12 . 1 1 37 37 SER C C 37 177.214 177.214 176.833 0.381 19579 7589 1 12 . 1 1 37 37 SER CA C 37 61.628 61.628 60.471 1.157 19579 7590 1 12 . 1 1 37 37 SER CB C 37 62.653 62.653 63.167 -0.514 19579 7591 1 12 . 1 1 37 37 SER H H 37 8.178 8.178 7.919 0.259 19579 7592 1 12 . 1 1 38 38 ARG N N 38 123.817 123.817 121.602 2.215 19579 7593 1 12 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.168 -0.164 19579 7594 1 12 . 1 1 38 38 ARG C C 38 179.564 179.564 178.725 0.839 19579 7595 1 12 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.977 1.680 19579 7596 1 12 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.585 1.228 19579 7597 1 12 . 1 1 38 38 ARG H H 38 7.882 7.882 8.024 -0.142 19579 7598 1 12 . 1 1 39 39 VAL N N 39 120.446 120.446 119.900 0.546 19579 7599 1 12 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.718 -0.389 19579 7600 1 12 . 1 1 39 39 VAL C C 39 178.505 178.505 177.551 0.954 19579 7601 1 12 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.427 1.767 19579 7602 1 12 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.184 0.386 19579 7603 1 12 . 1 1 39 39 VAL H H 39 8.543 8.543 8.554 -0.011 19579 7604 1 12 . 1 1 40 40 SER N N 40 114.009 114.009 114.038 -0.029 19579 7605 1 12 . 1 1 40 40 SER HA H 40 4.080 4.080 4.031 0.049 19579 7606 1 12 . 1 1 40 40 SER C C 40 176.340 176.340 176.448 -0.108 19579 7607 1 12 . 1 1 40 40 SER CA C 40 62.940 62.940 61.758 1.182 19579 7608 1 12 . 1 1 40 40 SER CB C 40 62.953 62.953 62.581 0.372 19579 7609 1 12 . 1 1 40 40 SER H H 40 8.602 8.602 7.838 0.764 19579 7610 1 12 . 1 1 41 41 SER N N 41 114.648 114.648 115.667 -1.019 19579 7611 1 12 . 1 1 41 41 SER HA H 41 4.333 4.333 4.411 -0.078 19579 7612 1 12 . 1 1 41 41 SER C C 41 174.390 174.390 175.521 -1.131 19579 7613 1 12 . 1 1 41 41 SER CA C 41 60.828 60.828 59.800 1.028 19579 7614 1 12 . 1 1 41 41 SER CB C 41 63.563 63.563 63.430 0.133 19579 7615 1 12 . 1 1 41 41 SER H H 41 8.003 8.003 7.706 0.297 19579 7616 1 12 . 1 1 42 42 ASN N N 42 117.849 117.849 118.598 -0.749 19579 7617 1 12 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.772 0.192 19579 7618 1 12 . 1 1 42 42 ASN C C 42 174.677 174.677 176.857 -2.180 19579 7619 1 12 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.318 1.045 19579 7620 1 12 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.473 1.793 19579 7621 1 12 . 1 1 42 42 ASN H H 42 7.600 7.600 7.778 -0.178 19579 7622 1 12 . 1 1 43 43 ILE N N 43 116.952 116.952 118.411 -1.459 19579 7623 1 12 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.745 -0.074 19579 7624 1 12 . 1 1 43 43 ILE C C 43 176.773 176.773 177.108 -0.335 19579 7625 1 12 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.194 0.033 19579 7626 1 12 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.176 0.234 19579 7627 1 12 . 1 1 43 43 ILE H H 43 7.336 7.336 8.436 -1.100 19579 7628 1 12 . 1 1 44 44 ALA N N 44 122.396 122.396 121.710 0.686 19579 7629 1 12 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.957 0.079 19579 7630 1 12 . 1 1 44 44 ALA C C 44 180.304 180.304 178.589 1.715 19579 7631 1 12 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.722 0.666 19579 7632 1 12 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.100 -0.612 19579 7633 1 12 . 1 1 44 44 ALA H H 44 8.617 8.617 8.452 0.165 19579 7634 1 12 . 1 1 45 45 ALA N N 45 120.804 120.804 121.294 -0.490 19579 7635 1 12 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.216 -0.163 19579 7636 1 12 . 1 1 45 45 ALA C C 45 180.591 180.591 180.162 0.429 19579 7637 1 12 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.476 0.276 19579 7638 1 12 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.671 -0.054 19579 7639 1 12 . 1 1 45 45 ALA H H 45 7.913 7.913 7.579 0.334 19579 7640 1 12 . 1 1 46 46 ILE N N 46 117.637 117.637 119.804 -2.167 19579 7641 1 12 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.884 -0.256 19579 7642 1 12 . 1 1 46 46 ILE C C 46 177.612 177.612 178.364 -0.752 19579 7643 1 12 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.498 -1.219 19579 7644 1 12 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.839 -0.179 19579 7645 1 12 . 1 1 46 46 ILE H H 46 7.313 7.313 7.637 -0.324 19579 7646 1 12 . 1 1 47 47 ALA N N 47 121.493 121.493 121.762 -0.269 19579 7647 1 12 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.166 -0.222 19579 7648 1 12 . 1 1 47 47 ALA C C 47 178.538 178.538 178.178 0.360 19579 7649 1 12 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.141 1.246 19579 7650 1 12 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.488 0.491 19579 7651 1 12 . 1 1 47 47 ALA H H 47 8.413 8.413 8.425 -0.012 19579 7652 1 12 . 1 1 48 48 SER N N 48 109.024 109.024 112.742 -3.718 19579 7653 1 12 . 1 1 48 48 SER HA H 48 4.352 4.352 4.636 -0.284 19579 7654 1 12 . 1 1 48 48 SER C C 48 176.056 176.056 174.344 1.712 19579 7655 1 12 . 1 1 48 48 SER CA C 48 59.977 59.977 59.039 0.938 19579 7656 1 12 . 1 1 48 48 SER CB C 48 63.838 63.838 64.479 -0.641 19579 7657 1 12 . 1 1 48 48 SER H H 48 8.030 8.030 7.493 0.537 19579 7658 1 12 . 1 1 49 49 GLY N N 49 108.121 108.121 107.427 0.694 19579 7659 1 12 . 1 1 49 49 GLY C C 49 174.820 174.820 174.638 0.182 19579 7660 1 12 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.351 -0.158 19579 7661 1 12 . 1 1 49 49 GLY H H 49 8.048 8.048 7.637 0.411 19579 7662 1 12 . 1 1 50 50 GLY N N 50 111.955 111.955 111.196 0.759 19579 7663 1 12 . 1 1 50 50 GLY C C 50 174.975 174.975 174.794 0.181 19579 7664 1 12 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.306 -0.124 19579 7665 1 12 . 1 1 50 50 GLY H H 50 8.409 8.409 7.770 0.639 19579 7666 1 12 . 1 1 51 51 ALA N N 51 126.247 126.247 124.391 1.856 19579 7667 1 12 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.485 -0.666 19579 7668 1 12 . 1 1 51 51 ALA C C 51 179.697 179.697 179.549 0.148 19579 7669 1 12 . 1 1 51 51 ALA CA C 51 55.060 55.060 53.717 1.343 19579 7670 1 12 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.593 -1.315 19579 7671 1 12 . 1 1 51 51 ALA H H 51 9.119 9.119 7.898 1.221 19579 7672 1 12 . 1 1 52 52 SER N N 52 111.975 111.975 115.468 -3.493 19579 7673 1 12 . 1 1 52 52 SER HA H 52 4.222 4.222 4.173 0.049 19579 7674 1 12 . 1 1 52 52 SER C C 52 174.983 174.983 175.067 -0.084 19579 7675 1 12 . 1 1 52 52 SER CA C 52 60.814 60.814 60.295 0.519 19579 7676 1 12 . 1 1 52 52 SER CB C 52 62.977 62.977 63.077 -0.100 19579 7677 1 12 . 1 1 52 52 SER H H 52 8.231 8.231 8.660 -0.429 19579 7678 1 12 . 1 1 53 53 ALA N N 53 122.484 122.484 122.313 0.171 19579 7679 1 12 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.359 0.043 19579 7680 1 12 . 1 1 53 53 ALA C C 53 177.391 177.391 179.031 -1.640 19579 7681 1 12 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.066 -0.939 19579 7682 1 12 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.925 1.021 19579 7683 1 12 . 1 1 53 53 ALA H H 53 7.602 7.602 7.980 -0.378 19579 7684 1 12 . 1 1 54 54 LEU N N 54 117.414 117.414 120.345 -2.931 19579 7685 1 12 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.093 -0.214 19579 7686 1 12 . 1 1 54 54 LEU C C 54 174.434 174.434 175.767 -1.333 19579 7687 1 12 . 1 1 54 54 LEU CA C 54 60.315 60.315 59.990 0.325 19579 7688 1 12 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.652 -0.032 19579 7689 1 12 . 1 1 54 54 LEU H H 54 7.408 7.408 7.641 -0.233 19579 7690 1 12 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.359 -0.168 19579 7691 1 12 . 1 1 55 55 PRO CA C 55 66.934 66.934 63.994 2.940 19579 7692 1 12 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.184 -0.134 19579 7693 1 12 . 1 1 56 56 SER N N 56 113.559 113.559 112.554 1.005 19579 7694 1 12 . 1 1 56 56 SER HA H 56 4.234 4.234 4.597 -0.363 19579 7695 1 12 . 1 1 56 56 SER C C 56 176.552 176.552 174.070 2.482 19579 7696 1 12 . 1 1 56 56 SER CA C 56 61.233 61.233 57.992 3.241 19579 7697 1 12 . 1 1 56 56 SER CB C 56 62.733 62.733 64.484 -1.751 19579 7698 1 12 . 1 1 56 56 SER H H 56 7.834 7.834 7.670 0.164 19579 7699 1 12 . 1 1 57 57 VAL N N 57 123.292 123.292 119.073 4.219 19579 7700 1 12 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.247 -0.504 19579 7701 1 12 . 1 1 57 57 VAL C C 57 178.042 178.042 175.754 2.288 19579 7702 1 12 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.133 3.327 19579 7703 1 12 . 1 1 57 57 VAL CB C 57 31.768 31.768 34.287 -2.519 19579 7704 1 12 . 1 1 57 57 VAL H H 57 8.263 8.263 7.566 0.697 19579 7705 1 12 . 1 1 58 58 ILE N N 58 118.510 118.510 121.698 -3.188 19579 7706 1 12 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.661 0.023 19579 7707 1 12 . 1 1 58 58 ILE C C 58 176.221 176.221 177.839 -1.618 19579 7708 1 12 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.581 -1.498 19579 7709 1 12 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.832 -0.483 19579 7710 1 12 . 1 1 58 58 ILE H H 58 8.873 8.873 8.267 0.606 19579 7711 1 12 . 1 1 59 59 SER N N 59 114.238 114.238 113.611 0.627 19579 7712 1 12 . 1 1 59 59 SER HA H 59 4.305 4.305 4.484 -0.179 19579 7713 1 12 . 1 1 59 59 SER C C 59 177.534 177.534 175.932 1.602 19579 7714 1 12 . 1 1 59 59 SER CA C 59 61.586 61.586 60.410 1.176 19579 7715 1 12 . 1 1 59 59 SER CB C 59 62.951 62.951 62.991 -0.040 19579 7716 1 12 . 1 1 59 59 SER H H 59 7.388 7.388 8.797 -1.409 19579 7717 1 12 . 1 1 60 60 ASN N N 60 120.810 120.810 120.876 -0.066 19579 7718 1 12 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.621 -0.261 19579 7719 1 12 . 1 1 60 60 ASN C C 60 178.616 178.616 177.768 0.848 19579 7720 1 12 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.954 0.761 19579 7721 1 12 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.300 0.696 19579 7722 1 12 . 1 1 60 60 ASN H H 60 8.147 8.147 7.784 0.363 19579 7723 1 12 . 1 1 61 61 ILE N N 61 121.116 121.116 121.260 -0.144 19579 7724 1 12 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.666 -0.145 19579 7725 1 12 . 1 1 61 61 ILE C C 61 176.972 176.972 177.758 -0.786 19579 7726 1 12 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.439 1.123 19579 7727 1 12 . 1 1 61 61 ILE CB C 61 39.006 39.006 37.978 1.028 19579 7728 1 12 . 1 1 61 61 ILE H H 61 8.642 8.642 7.522 1.120 19579 7729 1 12 . 1 1 62 62 TYR N N 62 119.953 119.953 120.646 -0.693 19579 7730 1 12 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.032 -0.408 19579 7731 1 12 . 1 1 62 62 TYR C C 62 176.828 176.828 177.473 -0.645 19579 7732 1 12 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.170 0.913 19579 7733 1 12 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.279 0.696 19579 7734 1 12 . 1 1 62 62 TYR H H 62 9.192 9.192 8.134 1.058 19579 7735 1 12 . 1 1 63 63 SER N N 63 111.464 111.464 115.357 -3.893 19579 7736 1 12 . 1 1 63 63 SER HA H 63 4.035 4.035 4.154 -0.119 19579 7737 1 12 . 1 1 63 63 SER C C 63 177.325 177.325 176.936 0.389 19579 7738 1 12 . 1 1 63 63 SER CA C 63 62.027 62.027 62.807 -0.780 19579 7739 1 12 . 1 1 63 63 SER CB C 63 62.565 62.565 62.734 -0.170 19579 7740 1 12 . 1 1 63 63 SER H H 63 8.320 8.320 7.831 0.489 19579 7741 1 12 . 1 1 64 64 GLY N N 64 110.383 110.383 109.468 0.915 19579 7742 1 12 . 1 1 64 64 GLY C C 64 175.581 175.581 175.959 -0.378 19579 7743 1 12 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.755 0.559 19579 7744 1 12 . 1 1 64 64 GLY H H 64 7.724 7.724 7.736 -0.012 19579 7745 1 12 . 1 1 65 65 VAL N N 65 124.665 124.665 122.500 2.165 19579 7746 1 12 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.712 -0.468 19579 7747 1 12 . 1 1 65 65 VAL C C 65 180.072 180.072 177.843 2.229 19579 7748 1 12 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.411 1.593 19579 7749 1 12 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.332 0.376 19579 7750 1 12 . 1 1 65 65 VAL H H 65 8.584 8.584 7.861 0.724 19579 7751 1 12 . 1 1 66 66 VAL N N 66 120.803 120.803 118.845 1.958 19579 7752 1 12 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.524 0.199 19579 7753 1 12 . 1 1 66 66 VAL C C 66 179.829 179.829 177.804 2.025 19579 7754 1 12 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.404 0.811 19579 7755 1 12 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.760 0.995 19579 7756 1 12 . 1 1 66 66 VAL H H 66 8.305 8.305 7.892 0.413 19579 7757 1 12 . 1 1 67 67 ALA N N 67 123.266 123.266 119.939 3.327 19579 7758 1 12 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.173 -0.009 19579 7759 1 12 . 1 1 67 67 ALA C C 67 178.560 178.560 178.884 -0.324 19579 7760 1 12 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.067 0.357 19579 7761 1 12 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.335 -0.324 19579 7762 1 12 . 1 1 67 67 ALA H H 67 7.979 7.979 7.827 0.152 19579 7763 1 12 . 1 1 68 68 SER N N 68 112.669 112.669 113.579 -0.910 19579 7764 1 12 . 1 1 68 68 SER HA H 68 4.436 4.436 4.304 0.132 19579 7765 1 12 . 1 1 68 68 SER C C 68 174.555 174.555 175.037 -0.482 19579 7766 1 12 . 1 1 68 68 SER CA C 68 59.634 59.634 58.725 0.909 19579 7767 1 12 . 1 1 68 68 SER CB C 68 63.943 63.943 63.640 0.303 19579 7768 1 12 . 1 1 68 68 SER H H 68 7.674 7.674 7.478 0.196 19579 7769 1 12 . 1 1 69 69 GLY N N 69 109.146 109.146 109.415 -0.269 19579 7770 1 12 . 1 1 69 69 GLY C C 69 173.904 173.904 174.381 -0.477 19579 7771 1 12 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.582 0.649 19579 7772 1 12 . 1 1 69 69 GLY H H 69 7.939 7.939 7.477 0.462 19579 7773 1 12 . 1 1 70 70 VAL N N 70 119.926 119.926 119.510 0.416 19579 7774 1 12 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.263 -0.353 19579 7775 1 12 . 1 1 70 70 VAL C C 70 174.997 174.997 175.578 -0.581 19579 7776 1 12 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.975 1.309 19579 7777 1 12 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.589 -1.165 19579 7778 1 12 . 1 1 70 70 VAL H H 70 6.723 6.723 7.306 -0.583 19579 7779 1 12 . 1 1 71 71 SER N N 71 120.581 120.581 117.997 2.584 19579 7780 1 12 . 1 1 71 71 SER HA H 71 4.386 4.386 4.474 -0.088 19579 7781 1 12 . 1 1 71 71 SER C C 71 175.559 175.559 175.331 0.228 19579 7782 1 12 . 1 1 71 71 SER CA C 71 58.441 58.441 57.702 0.739 19579 7783 1 12 . 1 1 71 71 SER CB C 71 64.632 64.632 64.876 -0.244 19579 7784 1 12 . 1 1 71 71 SER H H 71 8.577 8.577 8.423 0.154 19579 7785 1 12 . 1 1 72 72 SER N N 72 117.898 117.898 117.007 0.891 19579 7786 1 12 . 1 1 72 72 SER HA H 72 4.083 4.083 4.074 0.009 19579 7787 1 12 . 1 1 72 72 SER C C 72 176.255 176.255 176.465 -0.210 19579 7788 1 12 . 1 1 72 72 SER CA C 72 61.586 61.586 62.108 -0.521 19579 7789 1 12 . 1 1 72 72 SER CB C 72 62.622 62.622 63.035 -0.413 19579 7790 1 12 . 1 1 72 72 SER H H 72 8.889 8.889 8.788 0.101 19579 7791 1 12 . 1 1 73 73 ASN N N 73 118.976 118.976 119.449 -0.473 19579 7792 1 12 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.400 0.257 19579 7793 1 12 . 1 1 73 73 ASN C C 73 176.506 176.506 177.142 -0.636 19579 7794 1 12 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.388 0.673 19579 7795 1 12 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.228 -0.228 19579 7796 1 12 . 1 1 73 73 ASN H H 73 8.519 8.519 8.647 -0.128 19579 7797 1 12 . 1 1 74 74 GLU N N 74 118.543 118.543 119.585 -1.042 19579 7798 1 12 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.112 -0.002 19579 7799 1 12 . 1 1 74 74 GLU C C 74 176.994 176.994 177.869 -0.875 19579 7800 1 12 . 1 1 74 74 GLU CA C 74 58.026 58.026 57.830 0.196 19579 7801 1 12 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.474 1.889 19579 7802 1 12 . 1 1 74 74 GLU H H 74 7.768 7.768 7.647 0.121 19579 7803 1 12 . 1 1 75 75 ALA N N 75 121.901 121.901 124.097 -2.196 19579 7804 1 12 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.911 -0.221 19579 7805 1 12 . 1 1 75 75 ALA C C 75 178.318 178.318 178.987 -0.669 19579 7806 1 12 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.258 -0.030 19579 7807 1 12 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.209 0.432 19579 7808 1 12 . 1 1 75 75 ALA H H 75 8.069 8.069 7.768 0.301 19579 7809 1 12 . 1 1 76 76 LEU N N 76 117.360 117.360 119.714 -2.354 19579 7810 1 12 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.142 -0.032 19579 7811 1 12 . 1 1 76 76 LEU C C 76 177.854 177.854 178.613 -0.759 19579 7812 1 12 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.807 0.207 19579 7813 1 12 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.058 -1.290 19579 7814 1 12 . 1 1 76 76 LEU H H 76 8.121 8.121 7.427 0.694 19579 7815 1 12 . 1 1 77 77 ILE N N 77 116.714 116.714 118.747 -2.033 19579 7816 1 12 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.631 -0.179 19579 7817 1 12 . 1 1 77 77 ILE C C 77 176.883 176.883 178.021 -1.138 19579 7818 1 12 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.717 -0.459 19579 7819 1 12 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.701 0.041 19579 7820 1 12 . 1 1 77 77 ILE H H 77 7.607 7.607 7.502 0.105 19579 7821 1 12 . 1 1 78 78 GLN N N 78 119.338 119.338 119.760 -0.422 19579 7822 1 12 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.887 -0.255 19579 7823 1 12 . 1 1 78 78 GLN C C 78 177.521 177.521 178.026 -0.505 19579 7824 1 12 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.124 1.196 19579 7825 1 12 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.071 0.104 19579 7826 1 12 . 1 1 78 78 GLN H H 78 8.119 8.119 8.514 -0.395 19579 7827 1 12 . 1 1 79 79 ALA N N 79 119.218 119.218 121.698 -2.480 19579 7828 1 12 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.039 -0.167 19579 7829 1 12 . 1 1 79 79 ALA C C 79 179.311 179.311 179.927 -0.616 19579 7830 1 12 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.049 -0.224 19579 7831 1 12 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.182 -0.363 19579 7832 1 12 . 1 1 79 79 ALA H H 79 8.639 8.639 7.560 1.079 19579 7833 1 12 . 1 1 80 80 LEU N N 80 116.262 116.262 118.631 -2.369 19579 7834 1 12 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.958 -0.059 19579 7835 1 12 . 1 1 80 80 LEU C C 80 178.914 178.914 179.238 -0.324 19579 7836 1 12 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.525 0.486 19579 7837 1 12 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.705 -0.090 19579 7838 1 12 . 1 1 80 80 LEU H H 80 8.450 8.450 7.683 0.767 19579 7839 1 12 . 1 1 81 81 LEU N N 81 118.995 118.995 120.039 -1.044 19579 7840 1 12 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.885 0.087 19579 7841 1 12 . 1 1 81 81 LEU C C 81 180.127 180.127 179.318 0.809 19579 7842 1 12 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.388 -0.405 19579 7843 1 12 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.153 1.390 19579 7844 1 12 . 1 1 81 81 LEU H H 81 8.151 8.151 8.616 -0.465 19579 7845 1 12 . 1 1 82 82 GLU N N 82 124.890 124.890 119.302 5.588 19579 7846 1 12 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.045 -0.412 19579 7847 1 12 . 1 1 82 82 GLU C C 82 178.505 178.505 179.404 -0.899 19579 7848 1 12 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.163 2.137 19579 7849 1 12 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.548 0.231 19579 7850 1 12 . 1 1 82 82 GLU H H 82 8.659 8.659 8.159 0.500 19579 7851 1 12 . 1 1 83 83 LEU N N 83 121.487 121.487 121.099 0.388 19579 7852 1 12 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.128 -0.308 19579 7853 1 12 . 1 1 83 83 LEU C C 83 178.163 178.163 178.790 -0.627 19579 7854 1 12 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.848 0.307 19579 7855 1 12 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.508 0.126 19579 7856 1 12 . 1 1 83 83 LEU H H 83 8.658 8.658 7.947 0.711 19579 7857 1 12 . 1 1 84 84 LEU N N 84 118.904 118.904 117.468 1.436 19579 7858 1 12 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.159 -0.373 19579 7859 1 12 . 1 1 84 84 LEU C C 84 178.064 178.064 178.427 -0.363 19579 7860 1 12 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.680 1.983 19579 7861 1 12 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.465 1.740 19579 7862 1 12 . 1 1 84 84 LEU H H 84 8.803 8.803 8.601 0.202 19579 7863 1 12 . 1 1 85 85 SER N N 85 114.347 114.347 113.573 0.774 19579 7864 1 12 . 1 1 85 85 SER HA H 85 4.211 4.211 4.557 -0.346 19579 7865 1 12 . 1 1 85 85 SER C C 85 174.633 174.633 174.882 -0.249 19579 7866 1 12 . 1 1 85 85 SER CA C 85 62.957 62.957 60.538 2.419 19579 7867 1 12 . 1 1 85 85 SER CB C 85 62.947 62.947 63.785 -0.838 19579 7868 1 12 . 1 1 85 85 SER H H 85 7.879 7.879 7.685 0.194 19579 7869 1 12 . 1 1 86 86 ALA N N 86 124.206 124.206 125.586 -1.380 19579 7870 1 12 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.185 -0.415 19579 7871 1 12 . 1 1 86 86 ALA C C 86 178.538 178.538 178.782 -0.244 19579 7872 1 12 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.075 0.291 19579 7873 1 12 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.586 -1.242 19579 7874 1 12 . 1 1 86 86 ALA H H 86 8.199 8.199 7.582 0.617 19579 7875 1 12 . 1 1 87 87 LEU N N 87 116.463 116.463 115.920 0.543 19579 7876 1 12 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.154 -0.333 19579 7877 1 12 . 1 1 87 87 LEU C C 87 178.709 178.709 178.453 0.256 19579 7878 1 12 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.746 0.608 19579 7879 1 12 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.569 2.025 19579 7880 1 12 . 1 1 87 87 LEU H H 87 8.140 8.140 7.666 0.474 19579 7881 1 12 . 1 1 88 88 VAL N N 88 118.854 118.854 117.968 0.886 19579 7882 1 12 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.787 -0.384 19579 7883 1 12 . 1 1 88 88 VAL C C 88 177.766 177.766 177.202 0.564 19579 7884 1 12 . 1 1 88 88 VAL CA C 88 66.665 66.665 64.889 1.776 19579 7885 1 12 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.556 -0.109 19579 7886 1 12 . 1 1 88 88 VAL H H 88 8.716 8.716 7.584 1.132 19579 7887 1 12 . 1 1 89 89 HIS N N 89 121.227 121.227 119.295 1.932 19579 7888 1 12 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.352 -0.313 19579 7889 1 12 . 1 1 89 89 HIS C C 89 178.880 178.880 177.297 1.583 19579 7890 1 12 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.904 1.417 19579 7891 1 12 . 1 1 89 89 HIS CB C 89 31.748 31.748 29.926 1.822 19579 7892 1 12 . 1 1 89 89 HIS H H 89 8.664 8.664 7.817 0.847 19579 7893 1 12 . 1 1 90 90 VAL N N 90 118.094 118.094 118.371 -0.277 19579 7894 1 12 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.890 -0.323 19579 7895 1 12 . 1 1 90 90 VAL C C 90 177.733 177.733 177.202 0.531 19579 7896 1 12 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.628 1.202 19579 7897 1 12 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.212 0.388 19579 7898 1 12 . 1 1 90 90 VAL H H 90 7.994 7.994 7.748 0.246 19579 7899 1 12 . 1 1 91 91 LEU N N 91 119.672 119.672 120.224 -0.552 19579 7900 1 12 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.112 -0.280 19579 7901 1 12 . 1 1 91 91 LEU C C 91 178.869 178.869 178.763 0.106 19579 7902 1 12 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.649 0.109 19579 7903 1 12 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.211 1.728 19579 7904 1 12 . 1 1 91 91 LEU H H 91 8.393 8.393 7.573 0.820 19579 7905 1 12 . 1 1 92 92 SER N N 92 113.554 113.554 114.172 -0.618 19579 7906 1 12 . 1 1 92 92 SER HA H 92 4.297 4.297 4.291 0.006 19579 7907 1 12 . 1 1 92 92 SER C C 92 174.500 174.500 175.558 -1.058 19579 7908 1 12 . 1 1 92 92 SER CA C 92 61.410 61.410 60.743 0.667 19579 7909 1 12 . 1 1 92 92 SER CB C 92 63.254 63.254 62.829 0.425 19579 7910 1 12 . 1 1 92 92 SER H H 92 7.900 7.900 7.694 0.206 19579 7911 1 12 . 1 1 93 93 SER N N 93 115.055 115.055 115.800 -0.745 19579 7912 1 12 . 1 1 93 93 SER HA H 93 4.704 4.704 4.567 0.137 19579 7913 1 12 . 1 1 93 93 SER C C 93 173.044 173.044 174.355 -1.311 19579 7914 1 12 . 1 1 93 93 SER CA C 93 57.967 57.967 58.509 -0.542 19579 7915 1 12 . 1 1 93 93 SER CB C 93 64.574 64.574 64.086 0.488 19579 7916 1 12 . 1 1 93 93 SER H H 93 7.420 7.420 7.548 -0.128 19579 7917 1 12 . 1 1 94 94 ALA N N 94 124.504 124.504 125.236 -0.732 19579 7918 1 12 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.241 0.388 19579 7919 1 12 . 1 1 94 94 ALA C C 94 176.199 176.199 177.867 -1.668 19579 7920 1 12 . 1 1 94 94 ALA CA C 94 51.469 51.469 52.974 -1.505 19579 7921 1 12 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.175 2.445 19579 7922 1 12 . 1 1 94 94 ALA H H 94 7.476 7.476 7.085 0.391 19579 7923 1 12 . 1 1 95 95 SER N N 95 115.739 115.739 114.143 1.596 19579 7924 1 12 . 1 1 95 95 SER HA H 95 4.758 4.758 4.137 0.621 19579 7925 1 12 . 1 1 95 95 SER C C 95 174.136 174.136 174.516 -0.380 19579 7926 1 12 . 1 1 95 95 SER CA C 95 57.343 57.343 58.701 -1.358 19579 7927 1 12 . 1 1 95 95 SER CB C 95 63.303 63.303 61.450 1.853 19579 7928 1 12 . 1 1 95 95 SER H H 95 8.483 8.483 7.806 0.677 19579 7929 1 12 . 1 1 96 96 ILE N N 96 128.288 128.288 122.184 6.104 19579 7930 1 12 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.038 -0.045 19579 7931 1 12 . 1 1 96 96 ILE C C 96 175.868 175.868 175.842 0.026 19579 7932 1 12 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.264 -0.902 19579 7933 1 12 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.707 -0.094 19579 7934 1 12 . 1 1 96 96 ILE H H 96 8.869 8.869 8.452 0.417 19579 7935 1 12 . 1 1 97 97 GLY N N 97 115.495 115.495 116.740 -1.245 19579 7936 1 12 . 1 1 97 97 GLY C C 97 173.022 173.022 173.824 -0.802 19579 7937 1 12 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.024 -0.154 19579 7938 1 12 . 1 1 97 97 GLY H H 97 8.272 8.272 8.465 -0.193 19579 7939 1 12 . 1 1 98 98 ASN N N 98 120.819 120.819 119.901 0.918 19579 7940 1 12 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.863 -0.215 19579 7941 1 12 . 1 1 98 98 ASN C C 98 174.809 174.809 174.361 0.448 19579 7942 1 12 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.568 0.858 19579 7943 1 12 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.726 -1.061 19579 7944 1 12 . 1 1 98 98 ASN H H 98 8.420 8.420 8.364 0.056 19579 7945 1 12 . 1 1 99 99 VAL N N 99 122.960 122.960 123.079 -0.119 19579 7946 1 12 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.293 -0.119 19579 7947 1 12 . 1 1 99 99 VAL C C 99 174.500 174.500 175.734 -1.234 19579 7948 1 12 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.426 -0.058 19579 7949 1 12 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.159 0.247 19579 7950 1 12 . 1 1 99 99 VAL H H 99 8.292 8.292 8.347 -0.055 19579 7951 1 12 . 1 1 100 100 SER N N 100 120.723 120.723 117.675 3.048 19579 7952 1 12 . 1 1 100 100 SER HA H 100 4.756 4.756 4.656 0.100 19579 7953 1 12 . 1 1 100 100 SER C C 100 174.235 174.235 175.395 -1.160 19579 7954 1 12 . 1 1 100 100 SER CA C 100 56.687 56.687 57.376 -0.689 19579 7955 1 12 . 1 1 100 100 SER CB C 100 64.904 64.904 64.108 0.796 19579 7956 1 12 . 1 1 100 100 SER H H 100 8.644 8.644 8.503 0.141 19579 7957 1 12 . 1 1 101 101 SER N N 101 117.236 117.236 124.019 -6.783 19579 7958 1 12 . 1 1 101 101 SER HA H 101 4.130 4.130 4.464 -0.334 19579 7959 1 12 . 1 1 101 101 SER CA C 101 59.000 59.000 58.029 0.971 19579 7960 1 12 . 1 1 101 101 SER CB C 101 63.104 63.104 62.567 0.537 19579 7961 1 12 . 1 1 102 102 VAL N N 102 124.874 124.874 120.879 3.995 19579 7962 1 12 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.186 -0.365 19579 7963 1 12 . 1 1 102 102 VAL C C 102 177.545 177.545 175.592 1.953 19579 7964 1 12 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.813 2.769 19579 7965 1 12 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.033 -0.553 19579 7966 1 12 . 1 1 102 102 VAL H H 102 8.090 8.090 7.487 0.603 19579 7967 1 12 . 1 1 103 103 GLY N N 103 114.589 114.589 115.246 -0.657 19579 7968 1 12 . 1 1 103 103 GLY C C 103 176.387 176.387 175.218 1.169 19579 7969 1 12 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.907 0.779 19579 7970 1 12 . 1 1 103 103 GLY H H 103 9.051 9.051 8.611 0.440 19579 7971 1 12 . 1 1 104 104 VAL N N 104 121.976 121.976 121.805 0.171 19579 7972 1 12 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.643 -0.295 19579 7973 1 12 . 1 1 104 104 VAL C C 104 176.045 176.045 176.867 -0.822 19579 7974 1 12 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.794 1.095 19579 7975 1 12 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.159 0.106 19579 7976 1 12 . 1 1 104 104 VAL H H 104 7.753 7.753 8.225 -0.472 19579 7977 1 12 . 1 1 105 105 ASP N N 105 117.868 117.868 118.692 -0.824 19579 7978 1 12 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.324 -0.173 19579 7979 1 12 . 1 1 105 105 ASP C C 105 178.406 178.406 177.699 0.707 19579 7980 1 12 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.232 -0.522 19579 7981 1 12 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.786 -2.134 19579 7982 1 12 . 1 1 105 105 ASP H H 105 8.719 8.719 8.796 -0.077 19579 7983 1 12 . 1 1 106 106 SER N N 106 117.500 117.500 113.736 3.764 19579 7984 1 12 . 1 1 106 106 SER HA H 106 4.306 4.306 4.432 -0.126 19579 7985 1 12 . 1 1 106 106 SER C C 106 176.784 176.784 176.763 0.021 19579 7986 1 12 . 1 1 106 106 SER CA C 106 61.523 61.523 61.173 0.350 19579 7987 1 12 . 1 1 106 106 SER CB C 106 62.480 62.480 63.837 -1.357 19579 7988 1 12 . 1 1 106 106 SER H H 106 7.685 7.685 7.627 0.058 19579 7989 1 12 . 1 1 107 107 THR N N 107 121.741 121.741 120.915 0.826 19579 7990 1 12 . 1 1 107 107 THR HA H 107 4.373 4.373 4.060 0.313 19579 7991 1 12 . 1 1 107 107 THR C C 107 176.227 176.227 176.673 -0.446 19579 7992 1 12 . 1 1 107 107 THR CA C 107 66.648 66.648 66.428 0.220 19579 7993 1 12 . 1 1 107 107 THR CB C 107 66.884 66.884 68.763 -1.879 19579 7994 1 12 . 1 1 107 107 THR H H 107 8.024 8.024 7.578 0.446 19579 7995 1 12 . 1 1 108 108 LEU N N 108 122.175 122.175 120.808 1.367 19579 7996 1 12 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.964 -0.048 19579 7997 1 12 . 1 1 108 108 LEU C C 108 178.560 178.560 177.923 0.637 19579 7998 1 12 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.669 1.500 19579 7999 1 12 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.336 -0.307 19579 8000 1 12 . 1 1 108 108 LEU H H 108 8.475 8.475 8.388 0.087 19579 8001 1 12 . 1 1 109 109 ASN N N 109 116.499 116.499 117.438 -0.939 19579 8002 1 12 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.690 -0.204 19579 8003 1 12 . 1 1 109 109 ASN C C 109 177.181 177.181 177.354 -0.173 19579 8004 1 12 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.571 0.928 19579 8005 1 12 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.778 0.207 19579 8006 1 12 . 1 1 109 109 ASN H H 109 7.567 7.567 7.529 0.038 19579 8007 1 12 . 1 1 110 110 VAL N N 110 121.382 121.382 120.615 0.767 19579 8008 1 12 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.726 0.151 19579 8009 1 12 . 1 1 110 110 VAL C C 110 180.116 180.116 177.360 2.756 19579 8010 1 12 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.040 0.196 19579 8011 1 12 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.916 -0.356 19579 8012 1 12 . 1 1 110 110 VAL H H 110 7.978 7.978 7.677 0.301 19579 8013 1 12 . 1 1 111 111 VAL N N 111 123.748 123.748 118.985 4.763 19579 8014 1 12 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.714 -0.356 19579 8015 1 12 . 1 1 111 111 VAL C C 111 177.424 177.424 177.361 0.063 19579 8016 1 12 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.211 2.971 19579 8017 1 12 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.371 -0.265 19579 8018 1 12 . 1 1 111 111 VAL H H 111 8.228 8.228 7.554 0.674 19579 8019 1 12 . 1 1 112 112 GLN N N 112 120.331 120.331 118.443 1.888 19579 8020 1 12 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.936 -0.338 19579 8021 1 12 . 1 1 112 112 GLN C C 112 178.329 178.329 178.259 0.070 19579 8022 1 12 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.201 1.108 19579 8023 1 12 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.248 1.893 19579 8024 1 12 . 1 1 112 112 GLN H H 112 8.719 8.719 7.815 0.904 19579 8025 1 12 . 1 1 113 113 ASP N N 113 117.931 117.931 118.320 -0.389 19579 8026 1 12 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.441 -0.091 19579 8027 1 12 . 1 1 113 113 ASP C C 113 178.406 178.406 177.303 1.103 19579 8028 1 12 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.834 0.195 19579 8029 1 12 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.869 0.425 19579 8030 1 12 . 1 1 113 113 ASP H H 113 8.410 8.410 7.742 0.668 19579 8031 1 12 . 1 1 114 114 SER N N 114 113.798 113.798 114.314 -0.516 19579 8032 1 12 . 1 1 114 114 SER HA H 114 4.310 4.310 4.354 -0.044 19579 8033 1 12 . 1 1 114 114 SER C C 114 175.416 175.416 175.868 -0.452 19579 8034 1 12 . 1 1 114 114 SER CA C 114 61.981 61.981 60.715 1.266 19579 8035 1 12 . 1 1 114 114 SER CB C 114 63.618 63.618 63.422 0.196 19579 8036 1 12 . 1 1 114 114 SER H H 114 7.973 7.973 7.348 0.625 19579 8037 1 12 . 1 1 115 115 VAL N N 115 115.306 115.306 120.733 -5.427 19579 8038 1 12 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.391 -0.184 19579 8039 1 12 . 1 1 115 115 VAL C C 115 177.325 177.325 177.052 0.273 19579 8040 1 12 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.765 1.499 19579 8041 1 12 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.196 0.171 19579 8042 1 12 . 1 1 115 115 VAL H H 115 8.090 8.090 8.007 0.083 19579 8043 1 12 . 1 1 116 116 GLY N N 116 107.952 107.952 108.919 -0.967 19579 8044 1 12 . 1 1 116 116 GLY C C 116 175.129 175.129 174.790 0.339 19579 8045 1 12 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.501 0.329 19579 8046 1 12 . 1 1 116 116 GLY H H 116 7.991 7.991 7.910 0.081 19579 8047 1 12 . 1 1 117 117 GLN N N 117 116.191 116.191 118.254 -2.063 19579 8048 1 12 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.000 0.053 19579 8049 1 12 . 1 1 117 117 GLN C C 117 176.056 176.056 176.015 0.041 19579 8050 1 12 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.123 -0.067 19579 8051 1 12 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.585 0.907 19579 8052 1 12 . 1 1 117 117 GLN H H 117 7.721 7.721 7.911 -0.190 19579 8053 1 12 . 1 1 118 118 TYR N N 118 116.504 116.504 118.823 -2.319 19579 8054 1 12 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.437 -0.211 19579 8055 1 12 . 1 1 118 118 TYR C C 118 174.919 174.919 177.432 -2.513 19579 8056 1 12 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.393 -0.742 19579 8057 1 12 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.922 -0.931 19579 8058 1 12 . 1 1 118 118 TYR H H 118 7.685 7.685 7.894 -0.209 19579 8059 1 12 . 1 1 119 119 VAL N N 119 115.145 115.145 117.261 -2.116 19579 8060 1 12 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.969 0.225 19579 8061 1 12 . 1 1 119 119 VAL C C 119 174.666 174.666 177.096 -2.430 19579 8062 1 12 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.039 -2.077 19579 8063 1 12 . 1 1 119 119 VAL CB C 119 32.617 32.617 32.034 0.583 19579 8064 1 12 . 1 1 119 119 VAL H H 119 7.132 7.132 7.912 -0.780 19579 8065 1 13 . 1 1 -4 -4 SER CB C -4 63.876 63.876 62.647 1.230 19579 8066 1 13 . 1 1 -2 -2 ASN N N -2 118.808 118.808 118.077 0.731 19579 8067 1 13 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.697 0.487 19579 8068 1 13 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.878 0.521 19579 8069 1 13 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.207 0.100 19579 8070 1 13 . 1 1 2 2 THR N N 2 116.876 116.876 122.798 -5.922 19579 8071 1 13 . 1 1 2 2 THR HA H 2 4.348 4.348 4.391 -0.043 19579 8072 1 13 . 1 1 2 2 THR C C 2 174.600 174.600 174.606 -0.006 19579 8073 1 13 . 1 1 2 2 THR CA C 2 61.785 61.785 63.381 -1.596 19579 8074 1 13 . 1 1 2 2 THR CB C 2 69.800 69.800 68.996 0.804 19579 8075 1 13 . 1 1 2 2 THR H H 2 8.176 8.176 8.375 -0.199 19579 8076 1 13 . 1 1 3 3 SER N N 3 117.968 117.968 121.608 -3.640 19579 8077 1 13 . 1 1 3 3 SER C C 3 174.732 174.732 174.507 0.225 19579 8078 1 13 . 1 1 3 3 SER CA C 3 58.585 58.585 58.205 0.380 19579 8079 1 13 . 1 1 3 3 SER H H 3 8.248 8.248 8.349 -0.101 19579 8080 1 13 . 1 1 5 5 GLY N N 5 108.381 108.381 109.526 -1.145 19579 8081 1 13 . 1 1 5 5 GLY C C 5 173.728 173.728 173.452 0.276 19579 8082 1 13 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.298 -0.083 19579 8083 1 13 . 1 1 5 5 GLY H H 5 8.134 8.134 8.413 -0.279 19579 8084 1 13 . 1 1 6 6 TYR N N 6 120.011 120.011 119.937 0.074 19579 8085 1 13 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.959 -0.495 19579 8086 1 13 . 1 1 6 6 TYR C C 6 176.232 176.232 175.988 0.244 19579 8087 1 13 . 1 1 6 6 TYR CA C 6 58.175 58.175 58.099 0.076 19579 8088 1 13 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.969 -1.205 19579 8089 1 13 . 1 1 6 6 TYR H H 6 8.096 8.096 8.061 0.035 19579 8090 1 13 . 1 1 7 7 GLY N N 7 110.530 110.530 109.830 0.700 19579 8091 1 13 . 1 1 7 7 GLY C C 7 173.772 173.772 172.678 1.094 19579 8092 1 13 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.976 0.246 19579 8093 1 13 . 1 1 7 7 GLY H H 7 8.283 8.283 8.332 -0.049 19579 8094 1 13 . 1 1 8 8 TYR N N 8 120.132 120.132 114.713 5.419 19579 8095 1 13 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.977 -0.494 19579 8096 1 13 . 1 1 8 8 TYR C C 8 176.420 176.420 175.220 1.200 19579 8097 1 13 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.390 0.944 19579 8098 1 13 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.056 -1.311 19579 8099 1 13 . 1 1 8 8 TYR H H 8 7.987 7.987 8.017 -0.030 19579 8100 1 13 . 1 1 9 9 GLY N N 9 110.831 110.831 110.342 0.489 19579 8101 1 13 . 1 1 9 9 GLY C C 9 174.335 174.335 173.904 0.431 19579 8102 1 13 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.886 0.562 19579 8103 1 13 . 1 1 9 9 GLY H H 9 8.400 8.400 8.680 -0.280 19579 8104 1 13 . 1 1 10 10 THR N N 10 113.216 113.216 112.636 0.580 19579 8105 1 13 . 1 1 10 10 THR HA H 10 4.366 4.366 4.663 -0.297 19579 8106 1 13 . 1 1 10 10 THR C C 10 174.721 174.721 174.662 0.059 19579 8107 1 13 . 1 1 10 10 THR CA C 10 61.829 61.829 63.229 -1.400 19579 8108 1 13 . 1 1 10 10 THR CB C 10 69.881 69.881 70.444 -0.563 19579 8109 1 13 . 1 1 10 10 THR H H 10 8.012 8.012 7.982 0.030 19579 8110 1 13 . 1 1 11 11 SER N N 11 117.904 117.904 121.678 -3.774 19579 8111 1 13 . 1 1 11 11 SER HA H 11 4.414 4.414 4.450 -0.036 19579 8112 1 13 . 1 1 11 11 SER C C 11 174.335 174.335 174.204 0.131 19579 8113 1 13 . 1 1 11 11 SER CA C 11 58.363 58.363 58.189 0.174 19579 8114 1 13 . 1 1 11 11 SER CB C 11 63.911 63.911 63.654 0.257 19579 8115 1 13 . 1 1 11 11 SER H H 11 8.342 8.342 8.593 -0.251 19579 8116 1 13 . 1 1 12 12 ALA N N 12 126.003 126.003 124.841 1.162 19579 8117 1 13 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.191 0.047 19579 8118 1 13 . 1 1 12 12 ALA C C 12 177.468 177.468 176.421 1.047 19579 8119 1 13 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.530 0.242 19579 8120 1 13 . 1 1 12 12 ALA CB C 12 19.088 19.088 18.685 0.403 19579 8121 1 13 . 1 1 12 12 ALA H H 12 8.274 8.274 8.186 0.088 19579 8122 1 13 . 1 1 13 13 ALA N N 13 122.954 122.954 125.358 -2.404 19579 8123 1 13 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.550 -0.325 19579 8124 1 13 . 1 1 13 13 ALA C C 13 178.207 178.207 176.173 2.034 19579 8125 1 13 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.385 0.194 19579 8126 1 13 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.903 -0.612 19579 8127 1 13 . 1 1 13 13 ALA H H 13 8.121 8.121 8.280 -0.159 19579 8128 1 13 . 1 1 14 14 ALA N N 14 123.733 123.733 126.133 -2.400 19579 8129 1 13 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.353 -0.096 19579 8130 1 13 . 1 1 14 14 ALA C C 14 178.227 178.227 175.966 2.261 19579 8131 1 13 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.880 -0.131 19579 8132 1 13 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.035 -0.759 19579 8133 1 13 . 1 1 14 14 ALA H H 14 8.262 8.262 8.584 -0.322 19579 8134 1 13 . 1 1 15 15 GLY N N 15 108.014 108.014 110.418 -2.404 19579 8135 1 13 . 1 1 15 15 GLY C C 15 173.849 173.849 173.385 0.464 19579 8136 1 13 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.950 0.361 19579 8137 1 13 . 1 1 15 15 GLY H H 15 8.239 8.239 8.397 -0.158 19579 8138 1 13 . 1 1 16 16 ALA N N 16 123.529 123.529 125.738 -2.209 19579 8139 1 13 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.449 -0.151 19579 8140 1 13 . 1 1 16 16 ALA C C 16 178.108 178.108 175.126 2.982 19579 8141 1 13 . 1 1 16 16 ALA CA C 16 52.711 52.711 52.684 0.027 19579 8142 1 13 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.820 -1.504 19579 8143 1 13 . 1 1 16 16 ALA H H 16 8.102 8.102 7.750 0.352 19579 8144 1 13 . 1 1 17 17 GLY N N 17 108.099 108.099 110.476 -2.377 19579 8145 1 13 . 1 1 17 17 GLY C C 17 174.081 174.081 173.866 0.215 19579 8146 1 13 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.244 -0.009 19579 8147 1 13 . 1 1 17 17 GLY H H 17 8.356 8.356 8.555 -0.199 19579 8148 1 13 . 1 1 18 18 VAL N N 18 119.220 119.220 121.387 -2.167 19579 8149 1 13 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.142 -0.075 19579 8150 1 13 . 1 1 18 18 VAL C C 18 175.946 175.946 175.479 0.467 19579 8151 1 13 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.982 1.301 19579 8152 1 13 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.609 0.155 19579 8153 1 13 . 1 1 18 18 VAL H H 18 7.899 7.899 8.308 -0.409 19579 8154 1 13 . 1 1 19 19 ALA N N 19 127.804 127.804 120.050 7.754 19579 8155 1 13 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.244 1.043 19579 8156 1 13 . 1 1 19 19 ALA C C 19 177.303 177.303 176.333 0.970 19579 8157 1 13 . 1 1 19 19 ALA CA C 19 52.460 52.460 52.826 -0.366 19579 8158 1 13 . 1 1 19 19 ALA CB C 19 19.299 19.299 16.656 2.643 19579 8159 1 13 . 1 1 19 19 ALA H H 19 8.377 8.377 8.141 0.236 19579 8160 1 13 . 1 1 20 20 ALA N N 20 123.602 123.602 119.792 3.810 19579 8161 1 13 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.363 -0.084 19579 8162 1 13 . 1 1 20 20 ALA C C 20 178.086 178.086 178.217 -0.131 19579 8163 1 13 . 1 1 20 20 ALA CA C 20 52.752 52.752 52.099 0.653 19579 8164 1 13 . 1 1 20 20 ALA CB C 20 19.315 19.315 19.520 -0.205 19579 8165 1 13 . 1 1 20 20 ALA H H 20 8.261 8.261 7.998 0.263 19579 8166 1 13 . 1 1 21 21 GLY N N 21 108.033 108.033 106.978 1.055 19579 8167 1 13 . 1 1 21 21 GLY C C 21 174.213 174.213 174.764 -0.551 19579 8168 1 13 . 1 1 21 21 GLY CA C 21 45.291 45.291 44.990 0.301 19579 8169 1 13 . 1 1 21 21 GLY H H 21 8.323 8.323 8.488 -0.165 19579 8170 1 13 . 1 1 22 22 SER N N 22 115.596 115.596 116.636 -1.040 19579 8171 1 13 . 1 1 22 22 SER HA H 22 4.369 4.369 4.704 -0.335 19579 8172 1 13 . 1 1 22 22 SER C C 22 175.328 175.328 172.989 2.339 19579 8173 1 13 . 1 1 22 22 SER CA C 22 58.686 58.686 57.911 0.775 19579 8174 1 13 . 1 1 22 22 SER CB C 22 63.915 63.915 63.480 0.435 19579 8175 1 13 . 1 1 22 22 SER H H 22 8.118 8.118 8.325 -0.207 19579 8176 1 13 . 1 1 23 23 TYR N N 23 121.490 121.490 119.311 2.179 19579 8177 1 13 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.063 -0.294 19579 8178 1 13 . 1 1 23 23 TYR C C 23 175.890 175.890 174.404 1.486 19579 8179 1 13 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.677 1.047 19579 8180 1 13 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.989 -2.126 19579 8181 1 13 . 1 1 23 23 TYR H H 23 8.620 8.620 7.203 1.417 19579 8182 1 13 . 1 1 24 24 ALA N N 24 121.940 121.940 125.745 -3.805 19579 8183 1 13 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.685 -0.804 19579 8184 1 13 . 1 1 24 24 ALA C C 24 179.366 179.366 177.507 1.859 19579 8185 1 13 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.688 3.705 19579 8186 1 13 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.923 -2.383 19579 8187 1 13 . 1 1 24 24 ALA H H 24 8.127 8.127 9.235 -1.108 19579 8188 1 13 . 1 1 25 25 GLY N N 25 106.527 106.527 109.270 -2.743 19579 8189 1 13 . 1 1 25 25 GLY C C 25 175.074 175.074 175.232 -0.158 19579 8190 1 13 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.382 -0.185 19579 8191 1 13 . 1 1 25 25 GLY H H 25 8.647 8.647 8.380 0.267 19579 8192 1 13 . 1 1 26 26 ALA N N 26 122.752 122.752 123.780 -1.028 19579 8193 1 13 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.182 -0.155 19579 8194 1 13 . 1 1 26 26 ALA C C 26 177.490 177.490 178.847 -1.357 19579 8195 1 13 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.890 -0.354 19579 8196 1 13 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.520 0.456 19579 8197 1 13 . 1 1 26 26 ALA H H 26 7.552 7.552 8.044 -0.492 19579 8198 1 13 . 1 1 27 27 VAL N N 27 113.110 113.110 114.528 -1.418 19579 8199 1 13 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.963 -0.502 19579 8200 1 13 . 1 1 27 27 VAL C C 27 179.366 179.366 178.007 1.359 19579 8201 1 13 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.022 0.541 19579 8202 1 13 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.351 0.744 19579 8203 1 13 . 1 1 27 27 VAL H H 27 7.283 7.283 7.175 0.108 19579 8204 1 13 . 1 1 28 28 ASN N N 28 119.671 119.671 120.397 -0.726 19579 8205 1 13 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.423 -0.068 19579 8206 1 13 . 1 1 28 28 ASN C C 28 177.667 177.667 177.616 0.051 19579 8207 1 13 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.627 -0.536 19579 8208 1 13 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.928 0.392 19579 8209 1 13 . 1 1 28 28 ASN H H 28 8.374 8.374 8.481 -0.107 19579 8210 1 13 . 1 1 29 29 ARG N N 29 116.957 116.957 119.240 -2.283 19579 8211 1 13 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.099 0.019 19579 8212 1 13 . 1 1 29 29 ARG C C 29 177.457 177.457 178.791 -1.334 19579 8213 1 13 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.748 -0.053 19579 8214 1 13 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.812 0.325 19579 8215 1 13 . 1 1 29 29 ARG H H 29 7.860 7.860 8.032 -0.172 19579 8216 1 13 . 1 1 30 30 LEU N N 30 121.060 121.060 118.840 2.220 19579 8217 1 13 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.134 -0.180 19579 8218 1 13 . 1 1 30 30 LEU C C 30 174.975 174.975 177.610 -2.635 19579 8219 1 13 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.804 0.418 19579 8220 1 13 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.652 -0.694 19579 8221 1 13 . 1 1 30 30 LEU H H 30 7.524 7.524 7.706 -0.182 19579 8222 1 13 . 1 1 31 31 SER N N 31 106.764 106.764 111.686 -4.922 19579 8223 1 13 . 1 1 31 31 SER HA H 31 4.523 4.523 4.410 0.113 19579 8224 1 13 . 1 1 31 31 SER C C 31 174.666 174.666 175.046 -0.380 19579 8225 1 13 . 1 1 31 31 SER CA C 31 57.680 57.680 58.951 -1.271 19579 8226 1 13 . 1 1 31 31 SER CB C 31 63.290 63.290 63.467 -0.177 19579 8227 1 13 . 1 1 31 31 SER H H 31 7.046 7.046 7.819 -0.773 19579 8228 1 13 . 1 1 32 32 SER N N 32 117.235 117.235 117.485 -0.250 19579 8229 1 13 . 1 1 32 32 SER HA H 32 4.383 4.383 4.577 -0.194 19579 8230 1 13 . 1 1 32 32 SER C C 32 174.677 174.677 175.227 -0.550 19579 8231 1 13 . 1 1 32 32 SER CA C 32 58.027 58.027 57.236 0.791 19579 8232 1 13 . 1 1 32 32 SER CB C 32 66.069 66.069 65.077 0.992 19579 8233 1 13 . 1 1 32 32 SER H H 32 7.721 7.721 7.409 0.312 19579 8234 1 13 . 1 1 33 33 ALA N N 33 126.048 126.048 126.958 -0.910 19579 8235 1 13 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.089 0.009 19579 8236 1 13 . 1 1 33 33 ALA C C 33 180.822 180.822 179.734 1.088 19579 8237 1 13 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.672 0.070 19579 8238 1 13 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.707 -0.678 19579 8239 1 13 . 1 1 33 33 ALA H H 33 8.980 8.980 8.872 0.108 19579 8240 1 13 . 1 1 34 34 GLU N N 34 117.978 117.978 119.260 -1.282 19579 8241 1 13 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.892 0.043 19579 8242 1 13 . 1 1 34 34 GLU C C 34 178.560 178.560 178.702 -0.142 19579 8243 1 13 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.503 0.871 19579 8244 1 13 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.315 -0.502 19579 8245 1 13 . 1 1 34 34 GLU H H 34 8.993 8.993 7.685 1.308 19579 8246 1 13 . 1 1 35 35 ALA N N 35 123.748 123.748 121.264 2.484 19579 8247 1 13 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.207 -0.156 19579 8248 1 13 . 1 1 35 35 ALA C C 35 179.101 179.101 179.481 -0.380 19579 8249 1 13 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.924 0.495 19579 8250 1 13 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.253 1.031 19579 8251 1 13 . 1 1 35 35 ALA H H 35 7.443 7.443 8.088 -0.645 19579 8252 1 13 . 1 1 36 36 ALA N N 36 118.503 118.503 120.661 -2.158 19579 8253 1 13 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.849 -0.094 19579 8254 1 13 . 1 1 36 36 ALA C C 36 180.745 180.745 179.637 1.108 19579 8255 1 13 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.924 0.617 19579 8256 1 13 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.373 -1.347 19579 8257 1 13 . 1 1 36 36 ALA H H 36 7.484 7.484 7.844 -0.360 19579 8258 1 13 . 1 1 37 37 SER N N 37 114.688 114.688 112.464 2.224 19579 8259 1 13 . 1 1 37 37 SER HA H 37 4.170 4.170 4.473 -0.303 19579 8260 1 13 . 1 1 37 37 SER C C 37 177.214 177.214 175.832 1.382 19579 8261 1 13 . 1 1 37 37 SER CA C 37 61.628 61.628 61.105 0.523 19579 8262 1 13 . 1 1 37 37 SER CB C 37 62.653 62.653 63.483 -0.831 19579 8263 1 13 . 1 1 37 37 SER H H 37 8.178 8.178 7.917 0.261 19579 8264 1 13 . 1 1 38 38 ARG N N 38 123.817 123.817 121.029 2.788 19579 8265 1 13 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.200 -0.196 19579 8266 1 13 . 1 1 38 38 ARG C C 38 179.564 179.564 177.457 2.107 19579 8267 1 13 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.412 2.245 19579 8268 1 13 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.618 1.195 19579 8269 1 13 . 1 1 38 38 ARG H H 38 7.882 7.882 7.526 0.356 19579 8270 1 13 . 1 1 39 39 VAL N N 39 120.446 120.446 119.132 1.314 19579 8271 1 13 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.646 -0.317 19579 8272 1 13 . 1 1 39 39 VAL C C 39 178.505 178.505 177.595 0.910 19579 8273 1 13 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.298 1.896 19579 8274 1 13 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.970 -0.400 19579 8275 1 13 . 1 1 39 39 VAL H H 39 8.543 8.543 8.389 0.154 19579 8276 1 13 . 1 1 40 40 SER N N 40 114.009 114.009 114.235 -0.226 19579 8277 1 13 . 1 1 40 40 SER HA H 40 4.080 4.080 4.042 0.038 19579 8278 1 13 . 1 1 40 40 SER C C 40 176.340 176.340 176.082 0.258 19579 8279 1 13 . 1 1 40 40 SER CA C 40 62.940 62.940 61.906 1.034 19579 8280 1 13 . 1 1 40 40 SER CB C 40 62.953 62.953 62.641 0.312 19579 8281 1 13 . 1 1 40 40 SER H H 40 8.602 8.602 8.083 0.519 19579 8282 1 13 . 1 1 41 41 SER N N 41 114.648 114.648 114.790 -0.142 19579 8283 1 13 . 1 1 41 41 SER HA H 41 4.333 4.333 4.482 -0.149 19579 8284 1 13 . 1 1 41 41 SER C C 41 174.390 174.390 174.732 -0.342 19579 8285 1 13 . 1 1 41 41 SER CA C 41 60.828 60.828 58.996 1.832 19579 8286 1 13 . 1 1 41 41 SER CB C 41 63.563 63.563 63.051 0.512 19579 8287 1 13 . 1 1 41 41 SER H H 41 8.003 8.003 7.818 0.185 19579 8288 1 13 . 1 1 42 42 ASN N N 42 117.849 117.849 119.102 -1.253 19579 8289 1 13 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.881 0.083 19579 8290 1 13 . 1 1 42 42 ASN C C 42 174.677 174.677 177.602 -2.925 19579 8291 1 13 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.000 1.363 19579 8292 1 13 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.485 1.781 19579 8293 1 13 . 1 1 42 42 ASN H H 42 7.600 7.600 7.940 -0.340 19579 8294 1 13 . 1 1 43 43 ILE N N 43 116.952 116.952 119.202 -2.250 19579 8295 1 13 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.697 -0.026 19579 8296 1 13 . 1 1 43 43 ILE C C 43 176.773 176.773 176.931 -0.158 19579 8297 1 13 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.233 -0.006 19579 8298 1 13 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.074 0.336 19579 8299 1 13 . 1 1 43 43 ILE H H 43 7.336 7.336 8.626 -1.290 19579 8300 1 13 . 1 1 44 44 ALA N N 44 122.396 122.396 121.378 1.018 19579 8301 1 13 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.996 0.040 19579 8302 1 13 . 1 1 44 44 ALA C C 44 180.304 180.304 179.002 1.302 19579 8303 1 13 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.771 0.617 19579 8304 1 13 . 1 1 44 44 ALA CB C 44 17.488 17.488 17.863 -0.375 19579 8305 1 13 . 1 1 44 44 ALA H H 44 8.617 8.617 8.429 0.188 19579 8306 1 13 . 1 1 45 45 ALA N N 45 120.804 120.804 121.402 -0.598 19579 8307 1 13 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.299 -0.246 19579 8308 1 13 . 1 1 45 45 ALA C C 45 180.591 180.591 179.402 1.189 19579 8309 1 13 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.524 0.228 19579 8310 1 13 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.097 -0.480 19579 8311 1 13 . 1 1 45 45 ALA H H 45 7.913 7.913 7.793 0.120 19579 8312 1 13 . 1 1 46 46 ILE N N 46 117.637 117.637 118.757 -1.120 19579 8313 1 13 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.854 -0.226 19579 8314 1 13 . 1 1 46 46 ILE C C 46 177.612 177.612 177.968 -0.356 19579 8315 1 13 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.271 -0.992 19579 8316 1 13 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.875 -0.215 19579 8317 1 13 . 1 1 46 46 ILE H H 46 7.313 7.313 7.434 -0.121 19579 8318 1 13 . 1 1 47 47 ALA N N 47 121.493 121.493 121.152 0.341 19579 8319 1 13 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.054 -0.110 19579 8320 1 13 . 1 1 47 47 ALA C C 47 178.538 178.538 178.104 0.434 19579 8321 1 13 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.484 0.903 19579 8322 1 13 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.759 0.220 19579 8323 1 13 . 1 1 47 47 ALA H H 47 8.413 8.413 8.336 0.077 19579 8324 1 13 . 1 1 48 48 SER N N 48 109.024 109.024 112.322 -3.298 19579 8325 1 13 . 1 1 48 48 SER HA H 48 4.352 4.352 4.504 -0.152 19579 8326 1 13 . 1 1 48 48 SER C C 48 176.056 176.056 175.876 0.180 19579 8327 1 13 . 1 1 48 48 SER CA C 48 59.977 59.977 59.198 0.779 19579 8328 1 13 . 1 1 48 48 SER CB C 48 63.838 63.838 64.594 -0.756 19579 8329 1 13 . 1 1 48 48 SER H H 48 8.030 8.030 7.336 0.694 19579 8330 1 13 . 1 1 49 49 GLY N N 49 108.121 108.121 108.780 -0.659 19579 8331 1 13 . 1 1 49 49 GLY C C 49 174.820 174.820 175.677 -0.857 19579 8332 1 13 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.070 0.123 19579 8333 1 13 . 1 1 49 49 GLY H H 49 8.048 8.048 8.411 -0.363 19579 8334 1 13 . 1 1 50 50 GLY N N 50 111.955 111.955 109.404 2.551 19579 8335 1 13 . 1 1 50 50 GLY C C 50 174.975 174.975 174.072 0.903 19579 8336 1 13 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.404 -0.222 19579 8337 1 13 . 1 1 50 50 GLY H H 50 8.409 8.409 7.888 0.522 19579 8338 1 13 . 1 1 51 51 ALA N N 51 126.247 126.247 122.762 3.485 19579 8339 1 13 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.672 -0.853 19579 8340 1 13 . 1 1 51 51 ALA C C 51 179.697 179.697 179.313 0.384 19579 8341 1 13 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.352 2.708 19579 8342 1 13 . 1 1 51 51 ALA CB C 51 18.279 18.279 20.010 -1.731 19579 8343 1 13 . 1 1 51 51 ALA H H 51 9.119 9.119 7.975 1.144 19579 8344 1 13 . 1 1 52 52 SER N N 52 111.975 111.975 116.684 -4.709 19579 8345 1 13 . 1 1 52 52 SER HA H 52 4.222 4.222 4.186 0.036 19579 8346 1 13 . 1 1 52 52 SER C C 52 174.983 174.983 174.998 -0.015 19579 8347 1 13 . 1 1 52 52 SER CA C 52 60.814 60.814 61.232 -0.418 19579 8348 1 13 . 1 1 52 52 SER CB C 52 62.977 62.977 63.249 -0.272 19579 8349 1 13 . 1 1 52 52 SER H H 52 8.231 8.231 8.282 -0.051 19579 8350 1 13 . 1 1 53 53 ALA N N 53 122.484 122.484 121.949 0.535 19579 8351 1 13 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.328 0.074 19579 8352 1 13 . 1 1 53 53 ALA C C 53 177.391 177.391 178.501 -1.110 19579 8353 1 13 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.717 -0.590 19579 8354 1 13 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.537 1.409 19579 8355 1 13 . 1 1 53 53 ALA H H 53 7.602 7.602 7.867 -0.265 19579 8356 1 13 . 1 1 54 54 LEU N N 54 117.414 117.414 120.538 -3.124 19579 8357 1 13 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.060 -0.181 19579 8358 1 13 . 1 1 54 54 LEU C C 54 174.434 174.434 176.020 -1.586 19579 8359 1 13 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.513 -0.198 19579 8360 1 13 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.534 0.086 19579 8361 1 13 . 1 1 54 54 LEU H H 54 7.408 7.408 7.660 -0.252 19579 8362 1 13 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.312 -0.121 19579 8363 1 13 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.337 1.597 19579 8364 1 13 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.052 -0.002 19579 8365 1 13 . 1 1 56 56 SER N N 56 113.559 113.559 113.208 0.351 19579 8366 1 13 . 1 1 56 56 SER HA H 56 4.234 4.234 4.376 -0.142 19579 8367 1 13 . 1 1 56 56 SER C C 56 176.552 176.552 175.671 0.881 19579 8368 1 13 . 1 1 56 56 SER CA C 56 61.233 61.233 60.958 0.275 19579 8369 1 13 . 1 1 56 56 SER CB C 56 62.733 62.733 63.571 -0.838 19579 8370 1 13 . 1 1 56 56 SER H H 56 7.834 7.834 7.334 0.500 19579 8371 1 13 . 1 1 57 57 VAL N N 57 123.292 123.292 121.106 2.186 19579 8372 1 13 . 1 1 57 57 VAL HA H 57 3.743 3.743 3.983 -0.240 19579 8373 1 13 . 1 1 57 57 VAL C C 57 178.042 178.042 177.230 0.812 19579 8374 1 13 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.205 1.255 19579 8375 1 13 . 1 1 57 57 VAL CB C 57 31.768 31.768 32.423 -0.655 19579 8376 1 13 . 1 1 57 57 VAL H H 57 8.263 8.263 7.801 0.462 19579 8377 1 13 . 1 1 58 58 ILE N N 58 118.510 118.510 120.057 -1.547 19579 8378 1 13 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.695 -0.011 19579 8379 1 13 . 1 1 58 58 ILE C C 58 176.221 176.221 178.138 -1.917 19579 8380 1 13 . 1 1 58 58 ILE CA C 58 65.082 65.082 65.896 -0.814 19579 8381 1 13 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.830 -0.481 19579 8382 1 13 . 1 1 58 58 ILE H H 58 8.873 8.873 8.306 0.567 19579 8383 1 13 . 1 1 59 59 SER N N 59 114.238 114.238 112.674 1.564 19579 8384 1 13 . 1 1 59 59 SER HA H 59 4.305 4.305 4.663 -0.358 19579 8385 1 13 . 1 1 59 59 SER C C 59 177.534 177.534 176.259 1.275 19579 8386 1 13 . 1 1 59 59 SER CA C 59 61.586 61.586 60.493 1.093 19579 8387 1 13 . 1 1 59 59 SER CB C 59 62.951 62.951 63.236 -0.285 19579 8388 1 13 . 1 1 59 59 SER H H 59 7.388 7.388 8.587 -1.199 19579 8389 1 13 . 1 1 60 60 ASN N N 60 120.810 120.810 121.002 -0.192 19579 8390 1 13 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.651 -0.291 19579 8391 1 13 . 1 1 60 60 ASN C C 60 178.616 178.616 177.632 0.984 19579 8392 1 13 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.769 0.946 19579 8393 1 13 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.681 0.315 19579 8394 1 13 . 1 1 60 60 ASN H H 60 8.147 8.147 7.820 0.327 19579 8395 1 13 . 1 1 61 61 ILE N N 61 121.116 121.116 120.734 0.382 19579 8396 1 13 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.648 -0.127 19579 8397 1 13 . 1 1 61 61 ILE C C 61 176.972 176.972 177.551 -0.579 19579 8398 1 13 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.311 1.251 19579 8399 1 13 . 1 1 61 61 ILE CB C 61 39.006 39.006 37.976 1.030 19579 8400 1 13 . 1 1 61 61 ILE H H 61 8.642 8.642 7.862 0.780 19579 8401 1 13 . 1 1 62 62 TYR N N 62 119.953 119.953 120.472 -0.519 19579 8402 1 13 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.981 -0.358 19579 8403 1 13 . 1 1 62 62 TYR C C 62 176.828 176.828 177.603 -0.775 19579 8404 1 13 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.573 1.510 19579 8405 1 13 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.274 0.701 19579 8406 1 13 . 1 1 62 62 TYR H H 62 9.192 9.192 7.795 1.397 19579 8407 1 13 . 1 1 63 63 SER N N 63 111.464 111.464 113.982 -2.518 19579 8408 1 13 . 1 1 63 63 SER HA H 63 4.035 4.035 4.264 -0.229 19579 8409 1 13 . 1 1 63 63 SER C C 63 177.325 177.325 177.052 0.273 19579 8410 1 13 . 1 1 63 63 SER CA C 63 62.027 62.027 61.185 0.842 19579 8411 1 13 . 1 1 63 63 SER CB C 63 62.565 62.565 62.287 0.278 19579 8412 1 13 . 1 1 63 63 SER H H 63 8.320 8.320 7.924 0.396 19579 8413 1 13 . 1 1 64 64 GLY N N 64 110.383 110.383 109.370 1.013 19579 8414 1 13 . 1 1 64 64 GLY C C 64 175.581 175.581 176.225 -0.644 19579 8415 1 13 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.405 0.909 19579 8416 1 13 . 1 1 64 64 GLY H H 64 7.724 7.724 7.257 0.467 19579 8417 1 13 . 1 1 65 65 VAL N N 65 124.665 124.665 122.123 2.542 19579 8418 1 13 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.640 -0.396 19579 8419 1 13 . 1 1 65 65 VAL C C 65 180.072 180.072 177.134 2.938 19579 8420 1 13 . 1 1 65 65 VAL CA C 65 67.004 67.004 64.613 2.391 19579 8421 1 13 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.916 -0.208 19579 8422 1 13 . 1 1 65 65 VAL H H 65 8.584 8.584 7.520 1.064 19579 8423 1 13 . 1 1 66 66 VAL N N 66 120.803 120.803 118.310 2.493 19579 8424 1 13 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.566 0.157 19579 8425 1 13 . 1 1 66 66 VAL C C 66 179.829 179.829 177.009 2.820 19579 8426 1 13 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.258 0.957 19579 8427 1 13 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.481 0.274 19579 8428 1 13 . 1 1 66 66 VAL H H 66 8.305 8.305 7.451 0.854 19579 8429 1 13 . 1 1 67 67 ALA N N 67 123.266 123.266 120.255 3.011 19579 8430 1 13 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.154 0.010 19579 8431 1 13 . 1 1 67 67 ALA C C 67 178.560 178.560 178.429 0.131 19579 8432 1 13 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.116 0.308 19579 8433 1 13 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.380 -0.368 19579 8434 1 13 . 1 1 67 67 ALA H H 67 7.979 7.979 7.464 0.515 19579 8435 1 13 . 1 1 68 68 SER N N 68 112.669 112.669 114.472 -1.803 19579 8436 1 13 . 1 1 68 68 SER HA H 68 4.436 4.436 4.377 0.059 19579 8437 1 13 . 1 1 68 68 SER C C 68 174.555 174.555 175.513 -0.958 19579 8438 1 13 . 1 1 68 68 SER CA C 68 59.634 59.634 59.181 0.453 19579 8439 1 13 . 1 1 68 68 SER CB C 68 63.943 63.943 64.129 -0.186 19579 8440 1 13 . 1 1 68 68 SER H H 68 7.674 7.674 7.439 0.235 19579 8441 1 13 . 1 1 69 69 GLY N N 69 109.146 109.146 110.195 -1.049 19579 8442 1 13 . 1 1 69 69 GLY C C 69 173.904 173.904 173.542 0.362 19579 8443 1 13 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.826 0.405 19579 8444 1 13 . 1 1 69 69 GLY H H 69 7.939 7.939 7.592 0.347 19579 8445 1 13 . 1 1 70 70 VAL N N 70 119.926 119.926 119.932 -0.006 19579 8446 1 13 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.309 -0.399 19579 8447 1 13 . 1 1 70 70 VAL C C 70 174.997 174.997 175.915 -0.918 19579 8448 1 13 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.004 1.280 19579 8449 1 13 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.546 -1.122 19579 8450 1 13 . 1 1 70 70 VAL H H 70 6.723 6.723 7.412 -0.689 19579 8451 1 13 . 1 1 71 71 SER N N 71 120.581 120.581 119.254 1.327 19579 8452 1 13 . 1 1 71 71 SER HA H 71 4.386 4.386 4.403 -0.017 19579 8453 1 13 . 1 1 71 71 SER C C 71 175.559 175.559 175.537 0.022 19579 8454 1 13 . 1 1 71 71 SER CA C 71 58.441 58.441 57.749 0.692 19579 8455 1 13 . 1 1 71 71 SER CB C 71 64.632 64.632 64.076 0.556 19579 8456 1 13 . 1 1 71 71 SER H H 71 8.577 8.577 8.574 0.003 19579 8457 1 13 . 1 1 72 72 SER N N 72 117.898 117.898 121.889 -3.991 19579 8458 1 13 . 1 1 72 72 SER HA H 72 4.083 4.083 4.074 0.009 19579 8459 1 13 . 1 1 72 72 SER C C 72 176.255 176.255 176.448 -0.193 19579 8460 1 13 . 1 1 72 72 SER CA C 72 61.586 61.586 61.864 -0.278 19579 8461 1 13 . 1 1 72 72 SER CB C 72 62.622 62.622 63.146 -0.524 19579 8462 1 13 . 1 1 72 72 SER H H 72 8.889 8.889 8.742 0.147 19579 8463 1 13 . 1 1 73 73 ASN N N 73 118.976 118.976 118.826 0.150 19579 8464 1 13 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.417 0.240 19579 8465 1 13 . 1 1 73 73 ASN C C 73 176.506 176.506 177.343 -0.837 19579 8466 1 13 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.706 0.355 19579 8467 1 13 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.557 -0.557 19579 8468 1 13 . 1 1 73 73 ASN H H 73 8.519 8.519 7.759 0.760 19579 8469 1 13 . 1 1 74 74 GLU N N 74 118.543 118.543 119.961 -1.418 19579 8470 1 13 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.186 -0.076 19579 8471 1 13 . 1 1 74 74 GLU C C 74 176.994 176.994 178.259 -1.265 19579 8472 1 13 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.281 -0.255 19579 8473 1 13 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.614 1.749 19579 8474 1 13 . 1 1 74 74 GLU H H 74 7.768 7.768 7.470 0.298 19579 8475 1 13 . 1 1 75 75 ALA N N 75 121.901 121.901 123.946 -2.045 19579 8476 1 13 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.897 -0.207 19579 8477 1 13 . 1 1 75 75 ALA C C 75 178.318 178.318 179.295 -0.977 19579 8478 1 13 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.399 -0.171 19579 8479 1 13 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.338 0.303 19579 8480 1 13 . 1 1 75 75 ALA H H 75 8.069 8.069 8.621 -0.552 19579 8481 1 13 . 1 1 76 76 LEU N N 76 117.360 117.360 119.824 -2.464 19579 8482 1 13 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.249 -0.139 19579 8483 1 13 . 1 1 76 76 LEU C C 76 177.854 177.854 178.648 -0.794 19579 8484 1 13 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.880 0.134 19579 8485 1 13 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.062 -1.294 19579 8486 1 13 . 1 1 76 76 LEU H H 76 8.121 8.121 7.656 0.465 19579 8487 1 13 . 1 1 77 77 ILE N N 77 116.714 116.714 118.929 -2.215 19579 8488 1 13 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.622 -0.170 19579 8489 1 13 . 1 1 77 77 ILE C C 77 176.883 176.883 178.353 -1.470 19579 8490 1 13 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.921 -0.662 19579 8491 1 13 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.051 -0.309 19579 8492 1 13 . 1 1 77 77 ILE H H 77 7.607 7.607 7.567 0.040 19579 8493 1 13 . 1 1 78 78 GLN N N 78 119.338 119.338 119.585 -0.247 19579 8494 1 13 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.912 -0.280 19579 8495 1 13 . 1 1 78 78 GLN C C 78 177.521 177.521 178.027 -0.506 19579 8496 1 13 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.427 0.893 19579 8497 1 13 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.441 -0.266 19579 8498 1 13 . 1 1 78 78 GLN H H 78 8.119 8.119 8.736 -0.617 19579 8499 1 13 . 1 1 79 79 ALA N N 79 119.218 119.218 123.030 -3.812 19579 8500 1 13 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.037 -0.165 19579 8501 1 13 . 1 1 79 79 ALA C C 79 179.311 179.311 179.997 -0.686 19579 8502 1 13 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.159 -0.334 19579 8503 1 13 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.166 -0.347 19579 8504 1 13 . 1 1 79 79 ALA H H 79 8.639 8.639 7.632 1.007 19579 8505 1 13 . 1 1 80 80 LEU N N 80 116.262 116.262 118.624 -2.362 19579 8506 1 13 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.105 -0.206 19579 8507 1 13 . 1 1 80 80 LEU C C 80 178.914 178.914 179.256 -0.342 19579 8508 1 13 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.387 0.624 19579 8509 1 13 . 1 1 80 80 LEU CB C 80 41.615 41.615 40.743 0.872 19579 8510 1 13 . 1 1 80 80 LEU H H 80 8.450 8.450 7.885 0.565 19579 8511 1 13 . 1 1 81 81 LEU N N 81 118.995 118.995 120.328 -1.333 19579 8512 1 13 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.858 0.114 19579 8513 1 13 . 1 1 81 81 LEU C C 81 180.127 180.127 179.304 0.823 19579 8514 1 13 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.444 -0.461 19579 8515 1 13 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.264 1.279 19579 8516 1 13 . 1 1 81 81 LEU H H 81 8.151 8.151 8.268 -0.117 19579 8517 1 13 . 1 1 82 82 GLU N N 82 124.890 124.890 118.541 6.349 19579 8518 1 13 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.013 -0.380 19579 8519 1 13 . 1 1 82 82 GLU C C 82 178.505 178.505 179.458 -0.953 19579 8520 1 13 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.088 2.212 19579 8521 1 13 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.536 0.243 19579 8522 1 13 . 1 1 82 82 GLU H H 82 8.659 8.659 8.262 0.397 19579 8523 1 13 . 1 1 83 83 LEU N N 83 121.487 121.487 121.277 0.210 19579 8524 1 13 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.115 -0.295 19579 8525 1 13 . 1 1 83 83 LEU C C 83 178.163 178.163 178.821 -0.658 19579 8526 1 13 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.780 0.375 19579 8527 1 13 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.534 0.100 19579 8528 1 13 . 1 1 83 83 LEU H H 83 8.658 8.658 7.815 0.843 19579 8529 1 13 . 1 1 84 84 LEU N N 84 118.904 118.904 117.915 0.989 19579 8530 1 13 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.166 -0.380 19579 8531 1 13 . 1 1 84 84 LEU C C 84 178.064 178.064 179.182 -1.118 19579 8532 1 13 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.117 1.546 19579 8533 1 13 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.427 1.778 19579 8534 1 13 . 1 1 84 84 LEU H H 84 8.803 8.803 8.597 0.206 19579 8535 1 13 . 1 1 85 85 SER N N 85 114.347 114.347 113.472 0.875 19579 8536 1 13 . 1 1 85 85 SER HA H 85 4.211 4.211 4.478 -0.267 19579 8537 1 13 . 1 1 85 85 SER C C 85 174.633 174.633 175.443 -0.810 19579 8538 1 13 . 1 1 85 85 SER CA C 85 62.957 62.957 59.538 3.418 19579 8539 1 13 . 1 1 85 85 SER CB C 85 62.947 62.947 63.462 -0.515 19579 8540 1 13 . 1 1 85 85 SER H H 85 7.879 7.879 7.799 0.080 19579 8541 1 13 . 1 1 86 86 ALA N N 86 124.206 124.206 125.657 -1.451 19579 8542 1 13 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.131 -0.361 19579 8543 1 13 . 1 1 86 86 ALA C C 86 178.538 178.538 179.061 -0.523 19579 8544 1 13 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.178 0.188 19579 8545 1 13 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.628 -1.284 19579 8546 1 13 . 1 1 86 86 ALA H H 86 8.199 8.199 7.624 0.575 19579 8547 1 13 . 1 1 87 87 LEU N N 87 116.463 116.463 115.766 0.697 19579 8548 1 13 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.189 -0.368 19579 8549 1 13 . 1 1 87 87 LEU C C 87 178.709 178.709 178.525 0.184 19579 8550 1 13 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.793 0.561 19579 8551 1 13 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.294 2.300 19579 8552 1 13 . 1 1 87 87 LEU H H 87 8.140 8.140 7.666 0.474 19579 8553 1 13 . 1 1 88 88 VAL N N 88 118.854 118.854 118.861 -0.007 19579 8554 1 13 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.749 -0.346 19579 8555 1 13 . 1 1 88 88 VAL C C 88 177.766 177.766 177.207 0.559 19579 8556 1 13 . 1 1 88 88 VAL CA C 88 66.665 66.665 64.905 1.760 19579 8557 1 13 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.811 -0.363 19579 8558 1 13 . 1 1 88 88 VAL H H 88 8.716 8.716 7.769 0.947 19579 8559 1 13 . 1 1 89 89 HIS N N 89 121.227 121.227 119.591 1.636 19579 8560 1 13 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.329 -0.290 19579 8561 1 13 . 1 1 89 89 HIS C C 89 178.880 178.880 177.772 1.108 19579 8562 1 13 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.934 1.388 19579 8563 1 13 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.136 1.612 19579 8564 1 13 . 1 1 89 89 HIS H H 89 8.664 8.664 7.680 0.984 19579 8565 1 13 . 1 1 90 90 VAL N N 90 118.094 118.094 118.845 -0.751 19579 8566 1 13 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.909 -0.342 19579 8567 1 13 . 1 1 90 90 VAL C C 90 177.733 177.733 177.606 0.127 19579 8568 1 13 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.768 1.062 19579 8569 1 13 . 1 1 90 90 VAL CB C 90 31.600 31.600 30.952 0.648 19579 8570 1 13 . 1 1 90 90 VAL H H 90 7.994 7.994 7.807 0.187 19579 8571 1 13 . 1 1 91 91 LEU N N 91 119.672 119.672 121.490 -1.818 19579 8572 1 13 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.118 -0.286 19579 8573 1 13 . 1 1 91 91 LEU C C 91 178.869 178.869 178.699 0.170 19579 8574 1 13 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.635 0.123 19579 8575 1 13 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.032 1.907 19579 8576 1 13 . 1 1 91 91 LEU H H 91 8.393 8.393 7.777 0.616 19579 8577 1 13 . 1 1 92 92 SER N N 92 113.554 113.554 113.112 0.442 19579 8578 1 13 . 1 1 92 92 SER HA H 92 4.297 4.297 4.232 0.065 19579 8579 1 13 . 1 1 92 92 SER C C 92 174.500 174.500 175.622 -1.122 19579 8580 1 13 . 1 1 92 92 SER CA C 92 61.410 61.410 60.561 0.849 19579 8581 1 13 . 1 1 92 92 SER CB C 92 63.254 63.254 62.914 0.340 19579 8582 1 13 . 1 1 92 92 SER H H 92 7.900 7.900 7.699 0.201 19579 8583 1 13 . 1 1 93 93 SER N N 93 115.055 115.055 115.125 -0.070 19579 8584 1 13 . 1 1 93 93 SER HA H 93 4.704 4.704 4.638 0.066 19579 8585 1 13 . 1 1 93 93 SER C C 93 173.044 173.044 174.471 -1.427 19579 8586 1 13 . 1 1 93 93 SER CA C 93 57.967 57.967 58.536 -0.569 19579 8587 1 13 . 1 1 93 93 SER CB C 93 64.574 64.574 64.299 0.275 19579 8588 1 13 . 1 1 93 93 SER H H 93 7.420 7.420 7.469 -0.049 19579 8589 1 13 . 1 1 94 94 ALA N N 94 124.504 124.504 125.754 -1.250 19579 8590 1 13 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.267 0.362 19579 8591 1 13 . 1 1 94 94 ALA C C 94 176.199 176.199 177.578 -1.379 19579 8592 1 13 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.208 -1.739 19579 8593 1 13 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.048 2.572 19579 8594 1 13 . 1 1 94 94 ALA H H 94 7.476 7.476 7.173 0.303 19579 8595 1 13 . 1 1 95 95 SER N N 95 115.739 115.739 112.747 2.992 19579 8596 1 13 . 1 1 95 95 SER HA H 95 4.758 4.758 4.106 0.652 19579 8597 1 13 . 1 1 95 95 SER C C 95 174.136 174.136 174.044 0.092 19579 8598 1 13 . 1 1 95 95 SER CA C 95 57.343 57.343 58.755 -1.412 19579 8599 1 13 . 1 1 95 95 SER CB C 95 63.303 63.303 60.987 2.316 19579 8600 1 13 . 1 1 95 95 SER H H 95 8.483 8.483 7.854 0.628 19579 8601 1 13 . 1 1 96 96 ILE N N 96 128.288 128.288 122.036 6.252 19579 8602 1 13 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.106 -0.113 19579 8603 1 13 . 1 1 96 96 ILE C C 96 175.868 175.868 176.797 -0.929 19579 8604 1 13 . 1 1 96 96 ILE CA C 96 61.362 61.362 61.588 -0.226 19579 8605 1 13 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.361 -0.748 19579 8606 1 13 . 1 1 96 96 ILE H H 96 8.869 8.869 8.194 0.675 19579 8607 1 13 . 1 1 97 97 GLY N N 97 115.495 115.495 116.133 -0.638 19579 8608 1 13 . 1 1 97 97 GLY C C 97 173.022 173.022 173.245 -0.223 19579 8609 1 13 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.564 0.306 19579 8610 1 13 . 1 1 97 97 GLY H H 97 8.272 8.272 8.440 -0.168 19579 8611 1 13 . 1 1 98 98 ASN N N 98 120.819 120.819 118.682 2.137 19579 8612 1 13 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.827 -0.179 19579 8613 1 13 . 1 1 98 98 ASN C C 98 174.809 174.809 174.377 0.432 19579 8614 1 13 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.475 0.951 19579 8615 1 13 . 1 1 98 98 ASN CB C 98 38.665 38.665 40.156 -1.490 19579 8616 1 13 . 1 1 98 98 ASN H H 98 8.420 8.420 8.371 0.049 19579 8617 1 13 . 1 1 99 99 VAL N N 99 122.960 122.960 124.555 -1.595 19579 8618 1 13 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.255 -0.081 19579 8619 1 13 . 1 1 99 99 VAL C C 99 174.500 174.500 175.784 -1.284 19579 8620 1 13 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.754 -0.386 19579 8621 1 13 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.202 0.204 19579 8622 1 13 . 1 1 99 99 VAL H H 99 8.292 8.292 8.353 -0.061 19579 8623 1 13 . 1 1 100 100 SER N N 100 120.723 120.723 121.306 -0.583 19579 8624 1 13 . 1 1 100 100 SER HA H 100 4.756 4.756 4.616 0.140 19579 8625 1 13 . 1 1 100 100 SER C C 100 174.235 174.235 175.466 -1.231 19579 8626 1 13 . 1 1 100 100 SER CA C 100 56.687 56.687 57.819 -1.132 19579 8627 1 13 . 1 1 100 100 SER CB C 100 64.904 64.904 63.962 0.941 19579 8628 1 13 . 1 1 100 100 SER H H 100 8.644 8.644 8.526 0.118 19579 8629 1 13 . 1 1 101 101 SER N N 101 117.236 117.236 120.214 -2.978 19579 8630 1 13 . 1 1 101 101 SER HA H 101 4.130 4.130 4.509 -0.379 19579 8631 1 13 . 1 1 101 101 SER CA C 101 59.000 59.000 58.393 0.607 19579 8632 1 13 . 1 1 101 101 SER CB C 101 63.104 63.104 62.754 0.350 19579 8633 1 13 . 1 1 102 102 VAL N N 102 124.874 124.874 122.145 2.729 19579 8634 1 13 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.192 -0.371 19579 8635 1 13 . 1 1 102 102 VAL C C 102 177.545 177.545 176.100 1.445 19579 8636 1 13 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.500 3.082 19579 8637 1 13 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.237 -0.757 19579 8638 1 13 . 1 1 102 102 VAL H H 102 8.090 8.090 7.574 0.516 19579 8639 1 13 . 1 1 103 103 GLY N N 103 114.589 114.589 115.199 -0.610 19579 8640 1 13 . 1 1 103 103 GLY C C 103 176.387 176.387 175.622 0.765 19579 8641 1 13 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.983 0.703 19579 8642 1 13 . 1 1 103 103 GLY H H 103 9.051 9.051 8.763 0.288 19579 8643 1 13 . 1 1 104 104 VAL N N 104 121.976 121.976 121.059 0.917 19579 8644 1 13 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.649 -0.301 19579 8645 1 13 . 1 1 104 104 VAL C C 104 176.045 176.045 177.095 -1.050 19579 8646 1 13 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.372 1.517 19579 8647 1 13 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.268 -0.003 19579 8648 1 13 . 1 1 104 104 VAL H H 104 7.753 7.753 8.216 -0.463 19579 8649 1 13 . 1 1 105 105 ASP N N 105 117.868 117.868 118.862 -0.994 19579 8650 1 13 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.303 -0.152 19579 8651 1 13 . 1 1 105 105 ASP C C 105 178.406 178.406 177.759 0.647 19579 8652 1 13 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.295 -0.586 19579 8653 1 13 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.868 -2.216 19579 8654 1 13 . 1 1 105 105 ASP H H 105 8.719 8.719 8.740 -0.021 19579 8655 1 13 . 1 1 106 106 SER N N 106 117.500 117.500 112.854 4.646 19579 8656 1 13 . 1 1 106 106 SER HA H 106 4.306 4.306 4.377 -0.071 19579 8657 1 13 . 1 1 106 106 SER C C 106 176.784 176.784 176.662 0.122 19579 8658 1 13 . 1 1 106 106 SER CA C 106 61.523 61.523 61.357 0.166 19579 8659 1 13 . 1 1 106 106 SER CB C 106 62.480 62.480 63.397 -0.917 19579 8660 1 13 . 1 1 106 106 SER H H 106 7.685 7.685 7.766 -0.081 19579 8661 1 13 . 1 1 107 107 THR N N 107 121.741 121.741 120.733 1.008 19579 8662 1 13 . 1 1 107 107 THR HA H 107 4.373 4.373 4.119 0.254 19579 8663 1 13 . 1 1 107 107 THR C C 107 176.227 176.227 175.961 0.266 19579 8664 1 13 . 1 1 107 107 THR CA C 107 66.648 66.648 65.558 1.090 19579 8665 1 13 . 1 1 107 107 THR CB C 107 66.884 66.884 68.556 -1.672 19579 8666 1 13 . 1 1 107 107 THR H H 107 8.024 8.024 7.420 0.604 19579 8667 1 13 . 1 1 108 108 LEU N N 108 122.175 122.175 120.548 1.627 19579 8668 1 13 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.035 -0.119 19579 8669 1 13 . 1 1 108 108 LEU C C 108 178.560 178.560 178.007 0.553 19579 8670 1 13 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.055 2.114 19579 8671 1 13 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.313 -0.284 19579 8672 1 13 . 1 1 108 108 LEU H H 108 8.475 8.475 8.172 0.303 19579 8673 1 13 . 1 1 109 109 ASN N N 109 116.499 116.499 117.958 -1.459 19579 8674 1 13 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.436 0.050 19579 8675 1 13 . 1 1 109 109 ASN C C 109 177.181 177.181 177.328 -0.147 19579 8676 1 13 . 1 1 109 109 ASN CA C 109 56.499 56.499 56.250 0.249 19579 8677 1 13 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.502 0.484 19579 8678 1 13 . 1 1 109 109 ASN H H 109 7.567 7.567 7.532 0.035 19579 8679 1 13 . 1 1 110 110 VAL N N 110 121.382 121.382 120.009 1.373 19579 8680 1 13 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.840 0.037 19579 8681 1 13 . 1 1 110 110 VAL C C 110 180.116 180.116 177.530 2.586 19579 8682 1 13 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.233 1.003 19579 8683 1 13 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.837 -0.277 19579 8684 1 13 . 1 1 110 110 VAL H H 110 7.978 7.978 7.425 0.553 19579 8685 1 13 . 1 1 111 111 VAL N N 111 123.748 123.748 120.398 3.350 19579 8686 1 13 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.848 -0.490 19579 8687 1 13 . 1 1 111 111 VAL C C 111 177.424 177.424 177.061 0.363 19579 8688 1 13 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.722 3.460 19579 8689 1 13 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.870 -0.764 19579 8690 1 13 . 1 1 111 111 VAL H H 111 8.228 8.228 7.525 0.703 19579 8691 1 13 . 1 1 112 112 GLN N N 112 120.331 120.331 118.500 1.831 19579 8692 1 13 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.974 -0.376 19579 8693 1 13 . 1 1 112 112 GLN C C 112 178.329 178.329 178.363 -0.034 19579 8694 1 13 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.289 1.020 19579 8695 1 13 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.351 1.790 19579 8696 1 13 . 1 1 112 112 GLN H H 112 8.719 8.719 7.678 1.041 19579 8697 1 13 . 1 1 113 113 ASP N N 113 117.931 117.931 117.809 0.122 19579 8698 1 13 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.528 -0.178 19579 8699 1 13 . 1 1 113 113 ASP C C 113 178.406 178.406 177.820 0.586 19579 8700 1 13 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.206 0.822 19579 8701 1 13 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.036 0.258 19579 8702 1 13 . 1 1 113 113 ASP H H 113 8.410 8.410 7.677 0.733 19579 8703 1 13 . 1 1 114 114 SER N N 114 113.798 113.798 114.882 -1.084 19579 8704 1 13 . 1 1 114 114 SER HA H 114 4.310 4.310 4.370 -0.060 19579 8705 1 13 . 1 1 114 114 SER C C 114 175.416 175.416 176.128 -0.712 19579 8706 1 13 . 1 1 114 114 SER CA C 114 61.981 61.981 60.987 0.994 19579 8707 1 13 . 1 1 114 114 SER CB C 114 63.618 63.618 63.971 -0.353 19579 8708 1 13 . 1 1 114 114 SER H H 114 7.973 7.973 7.618 0.355 19579 8709 1 13 . 1 1 115 115 VAL N N 115 115.306 115.306 120.633 -5.327 19579 8710 1 13 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.485 -0.278 19579 8711 1 13 . 1 1 115 115 VAL C C 115 177.325 177.325 176.982 0.343 19579 8712 1 13 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.115 2.149 19579 8713 1 13 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.172 0.195 19579 8714 1 13 . 1 1 115 115 VAL H H 115 8.090 8.090 7.527 0.563 19579 8715 1 13 . 1 1 116 116 GLY N N 116 107.952 107.952 109.673 -1.721 19579 8716 1 13 . 1 1 116 116 GLY C C 116 175.129 175.129 174.962 0.167 19579 8717 1 13 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.561 0.269 19579 8718 1 13 . 1 1 116 116 GLY H H 116 7.991 7.991 8.017 -0.026 19579 8719 1 13 . 1 1 117 117 GLN N N 117 116.191 116.191 118.076 -1.885 19579 8720 1 13 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.996 0.057 19579 8721 1 13 . 1 1 117 117 GLN C C 117 176.056 176.056 176.409 -0.353 19579 8722 1 13 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.415 -0.359 19579 8723 1 13 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.615 0.877 19579 8724 1 13 . 1 1 117 117 GLN H H 117 7.721 7.721 8.232 -0.511 19579 8725 1 13 . 1 1 118 118 TYR N N 118 116.504 116.504 116.659 -0.155 19579 8726 1 13 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.413 -0.187 19579 8727 1 13 . 1 1 118 118 TYR C C 118 174.919 174.919 177.027 -2.108 19579 8728 1 13 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.114 -0.463 19579 8729 1 13 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.600 -0.609 19579 8730 1 13 . 1 1 118 118 TYR H H 118 7.685 7.685 8.026 -0.341 19579 8731 1 13 . 1 1 119 119 VAL N N 119 115.145 115.145 115.964 -0.819 19579 8732 1 13 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.039 0.155 19579 8733 1 13 . 1 1 119 119 VAL C C 119 174.666 174.666 176.450 -1.784 19579 8734 1 13 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.871 -1.909 19579 8735 1 13 . 1 1 119 119 VAL CB C 119 32.617 32.617 32.315 0.302 19579 8736 1 13 . 1 1 119 119 VAL H H 119 7.132 7.132 7.455 -0.323 19579 8737 1 14 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.231 0.645 19579 8738 1 14 . 1 1 -2 -2 ASN N N -2 118.808 118.808 123.454 -4.646 19579 8739 1 14 . 1 1 -2 -2 ASN C C -2 175.184 175.184 175.017 0.167 19579 8740 1 14 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.598 0.801 19579 8741 1 14 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.114 0.193 19579 8742 1 14 . 1 1 2 2 THR N N 2 116.876 116.876 115.118 1.758 19579 8743 1 14 . 1 1 2 2 THR HA H 2 4.348 4.348 4.554 -0.206 19579 8744 1 14 . 1 1 2 2 THR C C 2 174.600 174.600 173.565 1.035 19579 8745 1 14 . 1 1 2 2 THR CA C 2 61.785 61.785 60.362 1.423 19579 8746 1 14 . 1 1 2 2 THR CB C 2 69.800 69.800 69.430 0.371 19579 8747 1 14 . 1 1 2 2 THR H H 2 8.176 8.176 8.320 -0.144 19579 8748 1 14 . 1 1 3 3 SER N N 3 117.968 117.968 120.516 -2.548 19579 8749 1 14 . 1 1 3 3 SER C C 3 174.732 174.732 173.538 1.194 19579 8750 1 14 . 1 1 3 3 SER CA C 3 58.585 58.585 58.352 0.233 19579 8751 1 14 . 1 1 3 3 SER H H 3 8.248 8.248 8.612 -0.364 19579 8752 1 14 . 1 1 5 5 GLY N N 5 108.381 108.381 107.270 1.111 19579 8753 1 14 . 1 1 5 5 GLY C C 5 173.728 173.728 172.500 1.228 19579 8754 1 14 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.806 0.409 19579 8755 1 14 . 1 1 5 5 GLY H H 5 8.134 8.134 7.960 0.174 19579 8756 1 14 . 1 1 6 6 TYR N N 6 120.011 120.011 118.220 1.791 19579 8757 1 14 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.672 -0.208 19579 8758 1 14 . 1 1 6 6 TYR C C 6 176.232 176.232 175.298 0.934 19579 8759 1 14 . 1 1 6 6 TYR CA C 6 58.175 58.175 58.077 0.098 19579 8760 1 14 . 1 1 6 6 TYR CB C 6 38.764 38.764 41.178 -2.414 19579 8761 1 14 . 1 1 6 6 TYR H H 6 8.096 8.096 8.418 -0.322 19579 8762 1 14 . 1 1 7 7 GLY N N 7 110.530 110.530 110.108 0.422 19579 8763 1 14 . 1 1 7 7 GLY C C 7 173.772 173.772 172.979 0.793 19579 8764 1 14 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.469 -0.247 19579 8765 1 14 . 1 1 7 7 GLY H H 7 8.283 8.283 8.177 0.106 19579 8766 1 14 . 1 1 8 8 TYR N N 8 120.132 120.132 121.505 -1.373 19579 8767 1 14 . 1 1 8 8 TYR HA H 8 4.483 4.483 5.044 -0.561 19579 8768 1 14 . 1 1 8 8 TYR C C 8 176.420 176.420 176.439 -0.019 19579 8769 1 14 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.615 0.719 19579 8770 1 14 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.209 -1.464 19579 8771 1 14 . 1 1 8 8 TYR H H 8 7.987 7.987 8.207 -0.220 19579 8772 1 14 . 1 1 9 9 GLY N N 9 110.831 110.831 108.328 2.503 19579 8773 1 14 . 1 1 9 9 GLY C C 9 174.335 174.335 173.289 1.046 19579 8774 1 14 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.117 0.332 19579 8775 1 14 . 1 1 9 9 GLY H H 9 8.400 8.400 8.850 -0.450 19579 8776 1 14 . 1 1 10 10 THR N N 10 113.216 113.216 114.307 -1.091 19579 8777 1 14 . 1 1 10 10 THR HA H 10 4.366 4.366 4.238 0.128 19579 8778 1 14 . 1 1 10 10 THR C C 10 174.721 174.721 173.731 0.990 19579 8779 1 14 . 1 1 10 10 THR CA C 10 61.829 61.829 62.702 -0.873 19579 8780 1 14 . 1 1 10 10 THR CB C 10 69.881 69.881 68.628 1.253 19579 8781 1 14 . 1 1 10 10 THR H H 10 8.012 8.012 7.880 0.132 19579 8782 1 14 . 1 1 11 11 SER N N 11 117.904 117.904 118.207 -0.303 19579 8783 1 14 . 1 1 11 11 SER HA H 11 4.414 4.414 4.601 -0.187 19579 8784 1 14 . 1 1 11 11 SER C C 11 174.335 174.335 174.104 0.231 19579 8785 1 14 . 1 1 11 11 SER CA C 11 58.363 58.363 57.416 0.947 19579 8786 1 14 . 1 1 11 11 SER CB C 11 63.911 63.911 64.426 -0.515 19579 8787 1 14 . 1 1 11 11 SER H H 11 8.342 8.342 8.361 -0.019 19579 8788 1 14 . 1 1 12 12 ALA N N 12 126.003 126.003 123.044 2.959 19579 8789 1 14 . 1 1 12 12 ALA HA H 12 4.238 4.238 5.158 -0.920 19579 8790 1 14 . 1 1 12 12 ALA C C 12 177.468 177.468 175.872 1.596 19579 8791 1 14 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.393 1.379 19579 8792 1 14 . 1 1 12 12 ALA CB C 12 19.088 19.088 20.542 -1.454 19579 8793 1 14 . 1 1 12 12 ALA H H 12 8.274 8.274 8.660 -0.386 19579 8794 1 14 . 1 1 13 13 ALA N N 13 122.954 122.954 122.217 0.737 19579 8795 1 14 . 1 1 13 13 ALA HA H 13 4.225 4.225 5.160 -0.935 19579 8796 1 14 . 1 1 13 13 ALA C C 13 178.207 178.207 177.704 0.503 19579 8797 1 14 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.175 0.404 19579 8798 1 14 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.634 -1.343 19579 8799 1 14 . 1 1 13 13 ALA H H 13 8.121 8.121 9.058 -0.937 19579 8800 1 14 . 1 1 14 14 ALA N N 14 123.733 123.733 122.457 1.276 19579 8801 1 14 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.990 -0.733 19579 8802 1 14 . 1 1 14 14 ALA C C 14 178.227 178.227 178.342 -0.115 19579 8803 1 14 . 1 1 14 14 ALA CA C 14 52.749 52.749 53.159 -0.410 19579 8804 1 14 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.202 0.074 19579 8805 1 14 . 1 1 14 14 ALA H H 14 8.262 8.262 10.267 -2.005 19579 8806 1 14 . 1 1 15 15 GLY N N 15 108.014 108.014 106.275 1.739 19579 8807 1 14 . 1 1 15 15 GLY C C 15 173.849 173.849 172.402 1.447 19579 8808 1 14 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.874 0.437 19579 8809 1 14 . 1 1 15 15 GLY H H 15 8.239 8.239 8.068 0.171 19579 8810 1 14 . 1 1 16 16 ALA N N 16 123.529 123.529 123.093 0.436 19579 8811 1 14 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.496 -0.198 19579 8812 1 14 . 1 1 16 16 ALA C C 16 178.108 178.108 175.579 2.529 19579 8813 1 14 . 1 1 16 16 ALA CA C 16 52.711 52.711 52.441 0.270 19579 8814 1 14 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.906 -1.590 19579 8815 1 14 . 1 1 16 16 ALA H H 16 8.102 8.102 8.349 -0.247 19579 8816 1 14 . 1 1 17 17 GLY N N 17 108.099 108.099 110.459 -2.360 19579 8817 1 14 . 1 1 17 17 GLY C C 17 174.081 174.081 173.341 0.740 19579 8818 1 14 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.276 -0.041 19579 8819 1 14 . 1 1 17 17 GLY H H 17 8.356 8.356 8.633 -0.277 19579 8820 1 14 . 1 1 18 18 VAL N N 18 119.220 119.220 122.517 -3.297 19579 8821 1 14 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.310 -0.243 19579 8822 1 14 . 1 1 18 18 VAL C C 18 175.946 175.946 175.656 0.290 19579 8823 1 14 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.216 1.067 19579 8824 1 14 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.342 -0.578 19579 8825 1 14 . 1 1 18 18 VAL H H 18 7.899 7.899 8.176 -0.277 19579 8826 1 14 . 1 1 19 19 ALA N N 19 127.804 127.804 121.081 6.723 19579 8827 1 14 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.831 0.456 19579 8828 1 14 . 1 1 19 19 ALA C C 19 177.303 177.303 175.831 1.472 19579 8829 1 14 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.339 -0.879 19579 8830 1 14 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.391 1.908 19579 8831 1 14 . 1 1 19 19 ALA H H 19 8.377 8.377 8.252 0.125 19579 8832 1 14 . 1 1 20 20 ALA N N 20 123.602 123.602 120.653 2.949 19579 8833 1 14 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.645 -0.366 19579 8834 1 14 . 1 1 20 20 ALA C C 20 178.086 178.086 178.201 -0.115 19579 8835 1 14 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.404 1.348 19579 8836 1 14 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.331 -1.016 19579 8837 1 14 . 1 1 20 20 ALA H H 20 8.261 8.261 7.663 0.598 19579 8838 1 14 . 1 1 21 21 GLY N N 21 108.033 108.033 114.891 -6.858 19579 8839 1 14 . 1 1 21 21 GLY C C 21 174.213 174.213 174.755 -0.542 19579 8840 1 14 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.441 -1.149 19579 8841 1 14 . 1 1 21 21 GLY H H 21 8.323 8.323 8.997 -0.674 19579 8842 1 14 . 1 1 22 22 SER N N 22 115.596 115.596 117.731 -2.135 19579 8843 1 14 . 1 1 22 22 SER HA H 22 4.369 4.369 4.570 -0.201 19579 8844 1 14 . 1 1 22 22 SER C C 22 175.328 175.328 172.754 2.574 19579 8845 1 14 . 1 1 22 22 SER CA C 22 58.686 58.686 57.940 0.746 19579 8846 1 14 . 1 1 22 22 SER CB C 22 63.915 63.915 64.351 -0.436 19579 8847 1 14 . 1 1 22 22 SER H H 22 8.118 8.118 8.124 -0.006 19579 8848 1 14 . 1 1 23 23 TYR N N 23 121.490 121.490 119.128 2.362 19579 8849 1 14 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.970 -0.201 19579 8850 1 14 . 1 1 23 23 TYR C C 23 175.890 175.890 174.591 1.299 19579 8851 1 14 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.436 1.288 19579 8852 1 14 . 1 1 23 23 TYR CB C 23 37.863 37.863 40.061 -2.198 19579 8853 1 14 . 1 1 23 23 TYR H H 23 8.620 8.620 7.224 1.396 19579 8854 1 14 . 1 1 24 24 ALA N N 24 121.940 121.940 127.284 -5.344 19579 8855 1 14 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.798 -0.917 19579 8856 1 14 . 1 1 24 24 ALA C C 24 179.366 179.366 177.790 1.576 19579 8857 1 14 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.873 3.520 19579 8858 1 14 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.261 -1.720 19579 8859 1 14 . 1 1 24 24 ALA H H 24 8.127 8.127 9.071 -0.944 19579 8860 1 14 . 1 1 25 25 GLY N N 25 106.527 106.527 108.315 -1.788 19579 8861 1 14 . 1 1 25 25 GLY C C 25 175.074 175.074 175.137 -0.063 19579 8862 1 14 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.077 0.120 19579 8863 1 14 . 1 1 25 25 GLY H H 25 8.647 8.647 8.706 -0.059 19579 8864 1 14 . 1 1 26 26 ALA N N 26 122.752 122.752 124.108 -1.356 19579 8865 1 14 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.080 -0.053 19579 8866 1 14 . 1 1 26 26 ALA C C 26 177.490 177.490 178.580 -1.090 19579 8867 1 14 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.124 -0.588 19579 8868 1 14 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.247 0.729 19579 8869 1 14 . 1 1 26 26 ALA H H 26 7.552 7.552 7.754 -0.202 19579 8870 1 14 . 1 1 27 27 VAL N N 27 113.110 113.110 114.674 -1.564 19579 8871 1 14 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.903 -0.442 19579 8872 1 14 . 1 1 27 27 VAL C C 27 179.366 179.366 177.941 1.425 19579 8873 1 14 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.479 1.084 19579 8874 1 14 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.507 0.588 19579 8875 1 14 . 1 1 27 27 VAL H H 27 7.283 7.283 7.500 -0.217 19579 8876 1 14 . 1 1 28 28 ASN N N 28 119.671 119.671 120.265 -0.594 19579 8877 1 14 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.485 -0.130 19579 8878 1 14 . 1 1 28 28 ASN C C 28 177.667 177.667 177.593 0.074 19579 8879 1 14 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.827 0.264 19579 8880 1 14 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.927 0.393 19579 8881 1 14 . 1 1 28 28 ASN H H 28 8.374 8.374 8.185 0.189 19579 8882 1 14 . 1 1 29 29 ARG N N 29 116.957 116.957 119.647 -2.690 19579 8883 1 14 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.072 0.046 19579 8884 1 14 . 1 1 29 29 ARG C C 29 177.457 177.457 178.071 -0.614 19579 8885 1 14 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.828 -0.133 19579 8886 1 14 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.863 0.274 19579 8887 1 14 . 1 1 29 29 ARG H H 29 7.860 7.860 7.910 -0.050 19579 8888 1 14 . 1 1 30 30 LEU N N 30 121.060 121.060 118.307 2.753 19579 8889 1 14 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.098 -0.144 19579 8890 1 14 . 1 1 30 30 LEU C C 30 174.975 174.975 177.815 -2.840 19579 8891 1 14 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.444 -0.222 19579 8892 1 14 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.850 -0.892 19579 8893 1 14 . 1 1 30 30 LEU H H 30 7.524 7.524 7.788 -0.264 19579 8894 1 14 . 1 1 31 31 SER N N 31 106.764 106.764 111.073 -4.309 19579 8895 1 14 . 1 1 31 31 SER HA H 31 4.523 4.523 4.412 0.111 19579 8896 1 14 . 1 1 31 31 SER C C 31 174.666 174.666 174.261 0.405 19579 8897 1 14 . 1 1 31 31 SER CA C 31 57.680 57.680 58.632 -0.952 19579 8898 1 14 . 1 1 31 31 SER CB C 31 63.290 63.290 62.490 0.800 19579 8899 1 14 . 1 1 31 31 SER H H 31 7.046 7.046 7.818 -0.772 19579 8900 1 14 . 1 1 32 32 SER N N 32 117.235 117.235 115.658 1.577 19579 8901 1 14 . 1 1 32 32 SER HA H 32 4.383 4.383 4.708 -0.325 19579 8902 1 14 . 1 1 32 32 SER C C 32 174.677 174.677 174.476 0.201 19579 8903 1 14 . 1 1 32 32 SER CA C 32 58.027 58.027 56.662 1.365 19579 8904 1 14 . 1 1 32 32 SER CB C 32 66.069 66.069 64.272 1.797 19579 8905 1 14 . 1 1 32 32 SER H H 32 7.721 7.721 7.341 0.380 19579 8906 1 14 . 1 1 33 33 ALA N N 33 126.048 126.048 123.205 2.843 19579 8907 1 14 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.133 -0.035 19579 8908 1 14 . 1 1 33 33 ALA C C 33 180.822 180.822 179.543 1.279 19579 8909 1 14 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.254 0.487 19579 8910 1 14 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.711 -0.682 19579 8911 1 14 . 1 1 33 33 ALA H H 33 8.980 8.980 8.653 0.327 19579 8912 1 14 . 1 1 34 34 GLU N N 34 117.978 117.978 119.741 -1.763 19579 8913 1 14 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.911 0.024 19579 8914 1 14 . 1 1 34 34 GLU C C 34 178.560 178.560 178.820 -0.260 19579 8915 1 14 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.091 1.283 19579 8916 1 14 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.401 -0.588 19579 8917 1 14 . 1 1 34 34 GLU H H 34 8.993 8.993 8.251 0.742 19579 8918 1 14 . 1 1 35 35 ALA N N 35 123.748 123.748 121.784 1.964 19579 8919 1 14 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.412 -0.361 19579 8920 1 14 . 1 1 35 35 ALA C C 35 179.101 179.101 179.516 -0.415 19579 8921 1 14 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.907 0.512 19579 8922 1 14 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.417 0.867 19579 8923 1 14 . 1 1 35 35 ALA H H 35 7.443 7.443 7.561 -0.118 19579 8924 1 14 . 1 1 36 36 ALA N N 36 118.503 118.503 118.725 -0.222 19579 8925 1 14 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.892 -0.137 19579 8926 1 14 . 1 1 36 36 ALA C C 36 180.745 180.745 178.876 1.869 19579 8927 1 14 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.991 0.550 19579 8928 1 14 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.175 -1.149 19579 8929 1 14 . 1 1 36 36 ALA H H 36 7.484 7.484 7.968 -0.484 19579 8930 1 14 . 1 1 37 37 SER N N 37 114.688 114.688 112.963 1.725 19579 8931 1 14 . 1 1 37 37 SER HA H 37 4.170 4.170 4.410 -0.240 19579 8932 1 14 . 1 1 37 37 SER C C 37 177.214 177.214 176.442 0.772 19579 8933 1 14 . 1 1 37 37 SER CA C 37 61.628 61.628 60.040 1.588 19579 8934 1 14 . 1 1 37 37 SER CB C 37 62.653 62.653 63.334 -0.681 19579 8935 1 14 . 1 1 37 37 SER H H 37 8.178 8.178 7.621 0.557 19579 8936 1 14 . 1 1 38 38 ARG N N 38 123.817 123.817 121.273 2.544 19579 8937 1 14 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.237 -0.233 19579 8938 1 14 . 1 1 38 38 ARG C C 38 179.564 179.564 178.701 0.863 19579 8939 1 14 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.866 1.791 19579 8940 1 14 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.673 1.140 19579 8941 1 14 . 1 1 38 38 ARG H H 38 7.882 7.882 7.690 0.192 19579 8942 1 14 . 1 1 39 39 VAL N N 39 120.446 120.446 119.386 1.060 19579 8943 1 14 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.703 -0.374 19579 8944 1 14 . 1 1 39 39 VAL C C 39 178.505 178.505 177.458 1.047 19579 8945 1 14 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.534 1.660 19579 8946 1 14 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.120 0.450 19579 8947 1 14 . 1 1 39 39 VAL H H 39 8.543 8.543 8.556 -0.013 19579 8948 1 14 . 1 1 40 40 SER N N 40 114.009 114.009 114.495 -0.486 19579 8949 1 14 . 1 1 40 40 SER HA H 40 4.080 4.080 3.964 0.116 19579 8950 1 14 . 1 1 40 40 SER C C 40 176.340 176.340 176.286 0.054 19579 8951 1 14 . 1 1 40 40 SER CA C 40 62.940 62.940 61.793 1.147 19579 8952 1 14 . 1 1 40 40 SER CB C 40 62.953 62.953 62.379 0.574 19579 8953 1 14 . 1 1 40 40 SER H H 40 8.602 8.602 7.823 0.779 19579 8954 1 14 . 1 1 41 41 SER N N 41 114.648 114.648 114.923 -0.275 19579 8955 1 14 . 1 1 41 41 SER HA H 41 4.333 4.333 4.390 -0.057 19579 8956 1 14 . 1 1 41 41 SER C C 41 174.390 174.390 175.625 -1.235 19579 8957 1 14 . 1 1 41 41 SER CA C 41 60.828 60.828 59.296 1.532 19579 8958 1 14 . 1 1 41 41 SER CB C 41 63.563 63.563 63.021 0.542 19579 8959 1 14 . 1 1 41 41 SER H H 41 8.003 8.003 7.899 0.104 19579 8960 1 14 . 1 1 42 42 ASN N N 42 117.849 117.849 119.547 -1.698 19579 8961 1 14 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.733 0.231 19579 8962 1 14 . 1 1 42 42 ASN C C 42 174.677 174.677 177.546 -2.869 19579 8963 1 14 . 1 1 42 42 ASN CA C 42 55.363 55.363 55.028 0.335 19579 8964 1 14 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.212 2.054 19579 8965 1 14 . 1 1 42 42 ASN H H 42 7.600 7.600 7.776 -0.176 19579 8966 1 14 . 1 1 43 43 ILE N N 43 116.952 116.952 118.493 -1.541 19579 8967 1 14 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.761 -0.090 19579 8968 1 14 . 1 1 43 43 ILE C C 43 176.773 176.773 176.743 0.030 19579 8969 1 14 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.242 -0.015 19579 8970 1 14 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.101 0.309 19579 8971 1 14 . 1 1 43 43 ILE H H 43 7.336 7.336 8.610 -1.274 19579 8972 1 14 . 1 1 44 44 ALA N N 44 122.396 122.396 121.830 0.566 19579 8973 1 14 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.914 0.122 19579 8974 1 14 . 1 1 44 44 ALA C C 44 180.304 180.304 178.663 1.641 19579 8975 1 14 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.763 0.625 19579 8976 1 14 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.128 -0.640 19579 8977 1 14 . 1 1 44 44 ALA H H 44 8.617 8.617 8.218 0.399 19579 8978 1 14 . 1 1 45 45 ALA N N 45 120.804 120.804 121.195 -0.391 19579 8979 1 14 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.189 -0.136 19579 8980 1 14 . 1 1 45 45 ALA C C 45 180.591 180.591 180.165 0.426 19579 8981 1 14 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.490 0.261 19579 8982 1 14 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.612 0.005 19579 8983 1 14 . 1 1 45 45 ALA H H 45 7.913 7.913 7.771 0.142 19579 8984 1 14 . 1 1 46 46 ILE N N 46 117.637 117.637 119.980 -2.343 19579 8985 1 14 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.662 -0.034 19579 8986 1 14 . 1 1 46 46 ILE C C 46 177.612 177.612 178.188 -0.576 19579 8987 1 14 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.821 -1.542 19579 8988 1 14 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.771 -0.111 19579 8989 1 14 . 1 1 46 46 ILE H H 46 7.313 7.313 7.513 -0.200 19579 8990 1 14 . 1 1 47 47 ALA N N 47 121.493 121.493 121.913 -0.420 19579 8991 1 14 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.131 -0.187 19579 8992 1 14 . 1 1 47 47 ALA C C 47 178.538 178.538 178.417 0.121 19579 8993 1 14 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.412 0.975 19579 8994 1 14 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.387 0.591 19579 8995 1 14 . 1 1 47 47 ALA H H 47 8.413 8.413 8.402 0.011 19579 8996 1 14 . 1 1 48 48 SER N N 48 109.024 109.024 113.142 -4.118 19579 8997 1 14 . 1 1 48 48 SER HA H 48 4.352 4.352 4.593 -0.241 19579 8998 1 14 . 1 1 48 48 SER C C 48 176.056 176.056 174.494 1.562 19579 8999 1 14 . 1 1 48 48 SER CA C 48 59.977 59.977 59.560 0.417 19579 9000 1 14 . 1 1 48 48 SER CB C 48 63.838 63.838 64.128 -0.290 19579 9001 1 14 . 1 1 48 48 SER H H 48 8.030 8.030 7.592 0.438 19579 9002 1 14 . 1 1 49 49 GLY N N 49 108.121 108.121 108.387 -0.266 19579 9003 1 14 . 1 1 49 49 GLY C C 49 174.820 174.820 175.002 -0.182 19579 9004 1 14 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.472 -0.279 19579 9005 1 14 . 1 1 49 49 GLY H H 49 8.048 8.048 7.697 0.351 19579 9006 1 14 . 1 1 50 50 GLY N N 50 111.955 111.955 108.582 3.373 19579 9007 1 14 . 1 1 50 50 GLY C C 50 174.975 174.975 174.302 0.673 19579 9008 1 14 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.076 0.106 19579 9009 1 14 . 1 1 50 50 GLY H H 50 8.409 8.409 7.921 0.488 19579 9010 1 14 . 1 1 51 51 ALA N N 51 126.247 126.247 122.172 4.075 19579 9011 1 14 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.664 -0.845 19579 9012 1 14 . 1 1 51 51 ALA C C 51 179.697 179.697 178.670 1.027 19579 9013 1 14 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.153 2.908 19579 9014 1 14 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.316 -1.037 19579 9015 1 14 . 1 1 51 51 ALA H H 51 9.119 9.119 8.061 1.058 19579 9016 1 14 . 1 1 52 52 SER N N 52 111.975 111.975 116.121 -4.146 19579 9017 1 14 . 1 1 52 52 SER HA H 52 4.222 4.222 4.197 0.025 19579 9018 1 14 . 1 1 52 52 SER C C 52 174.983 174.983 175.355 -0.372 19579 9019 1 14 . 1 1 52 52 SER CA C 52 60.814 60.814 60.848 -0.034 19579 9020 1 14 . 1 1 52 52 SER CB C 52 62.977 62.977 62.946 0.031 19579 9021 1 14 . 1 1 52 52 SER H H 52 8.231 8.231 8.776 -0.545 19579 9022 1 14 . 1 1 53 53 ALA N N 53 122.484 122.484 121.923 0.561 19579 9023 1 14 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.524 -0.122 19579 9024 1 14 . 1 1 53 53 ALA C C 53 177.391 177.391 179.144 -1.753 19579 9025 1 14 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.261 -0.134 19579 9026 1 14 . 1 1 53 53 ALA CB C 53 19.946 19.946 19.087 0.859 19579 9027 1 14 . 1 1 53 53 ALA H H 53 7.602 7.602 8.040 -0.438 19579 9028 1 14 . 1 1 54 54 LEU N N 54 117.414 117.414 121.046 -3.632 19579 9029 1 14 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.076 -0.197 19579 9030 1 14 . 1 1 54 54 LEU C C 54 174.434 174.434 175.792 -1.358 19579 9031 1 14 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.185 0.130 19579 9032 1 14 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.434 0.186 19579 9033 1 14 . 1 1 54 54 LEU H H 54 7.408 7.408 7.772 -0.364 19579 9034 1 14 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.386 -0.195 19579 9035 1 14 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.425 1.509 19579 9036 1 14 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.226 -0.176 19579 9037 1 14 . 1 1 56 56 SER N N 56 113.559 113.559 110.834 2.725 19579 9038 1 14 . 1 1 56 56 SER HA H 56 4.234 4.234 4.450 -0.216 19579 9039 1 14 . 1 1 56 56 SER C C 56 176.552 176.552 174.878 1.674 19579 9040 1 14 . 1 1 56 56 SER CA C 56 61.233 61.233 59.069 2.163 19579 9041 1 14 . 1 1 56 56 SER CB C 56 62.733 62.733 62.718 0.015 19579 9042 1 14 . 1 1 56 56 SER H H 56 7.834 7.834 8.136 -0.302 19579 9043 1 14 . 1 1 57 57 VAL N N 57 123.292 123.292 118.713 4.579 19579 9044 1 14 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.342 -0.599 19579 9045 1 14 . 1 1 57 57 VAL C C 57 178.042 178.042 176.358 1.684 19579 9046 1 14 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.354 3.106 19579 9047 1 14 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.860 -2.092 19579 9048 1 14 . 1 1 57 57 VAL H H 57 8.263 8.263 7.502 0.761 19579 9049 1 14 . 1 1 58 58 ILE N N 58 118.510 118.510 121.007 -2.497 19579 9050 1 14 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.693 -0.009 19579 9051 1 14 . 1 1 58 58 ILE C C 58 176.221 176.221 177.710 -1.489 19579 9052 1 14 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.274 -1.192 19579 9053 1 14 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.936 -0.587 19579 9054 1 14 . 1 1 58 58 ILE H H 58 8.873 8.873 8.809 0.064 19579 9055 1 14 . 1 1 59 59 SER N N 59 114.238 114.238 113.894 0.344 19579 9056 1 14 . 1 1 59 59 SER HA H 59 4.305 4.305 4.523 -0.218 19579 9057 1 14 . 1 1 59 59 SER C C 59 177.534 177.534 176.198 1.336 19579 9058 1 14 . 1 1 59 59 SER CA C 59 61.586 61.586 60.704 0.882 19579 9059 1 14 . 1 1 59 59 SER CB C 59 62.951 62.951 63.041 -0.090 19579 9060 1 14 . 1 1 59 59 SER H H 59 7.388 7.388 8.314 -0.926 19579 9061 1 14 . 1 1 60 60 ASN N N 60 120.810 120.810 121.081 -0.271 19579 9062 1 14 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.673 -0.313 19579 9063 1 14 . 1 1 60 60 ASN C C 60 178.616 178.616 177.715 0.901 19579 9064 1 14 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.736 0.979 19579 9065 1 14 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.544 0.452 19579 9066 1 14 . 1 1 60 60 ASN H H 60 8.147 8.147 7.861 0.286 19579 9067 1 14 . 1 1 61 61 ILE N N 61 121.116 121.116 121.399 -0.283 19579 9068 1 14 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.710 -0.189 19579 9069 1 14 . 1 1 61 61 ILE C C 61 176.972 176.972 177.632 -0.660 19579 9070 1 14 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.371 1.192 19579 9071 1 14 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.199 0.807 19579 9072 1 14 . 1 1 61 61 ILE H H 61 8.642 8.642 7.547 1.095 19579 9073 1 14 . 1 1 62 62 TYR N N 62 119.953 119.953 120.178 -0.225 19579 9074 1 14 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.997 -0.374 19579 9075 1 14 . 1 1 62 62 TYR C C 62 176.828 176.828 177.347 -0.519 19579 9076 1 14 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.796 1.287 19579 9077 1 14 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.787 0.188 19579 9078 1 14 . 1 1 62 62 TYR H H 62 9.192 9.192 8.352 0.840 19579 9079 1 14 . 1 1 63 63 SER N N 63 111.464 111.464 114.150 -2.686 19579 9080 1 14 . 1 1 63 63 SER HA H 63 4.035 4.035 4.088 -0.053 19579 9081 1 14 . 1 1 63 63 SER C C 63 177.325 177.325 177.035 0.290 19579 9082 1 14 . 1 1 63 63 SER CA C 63 62.027 62.027 61.685 0.342 19579 9083 1 14 . 1 1 63 63 SER CB C 63 62.565 62.565 62.809 -0.244 19579 9084 1 14 . 1 1 63 63 SER H H 63 8.320 8.320 7.915 0.405 19579 9085 1 14 . 1 1 64 64 GLY N N 64 110.383 110.383 110.620 -0.237 19579 9086 1 14 . 1 1 64 64 GLY C C 64 175.581 175.581 175.826 -0.245 19579 9087 1 14 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.700 0.614 19579 9088 1 14 . 1 1 64 64 GLY H H 64 7.724 7.724 7.668 0.056 19579 9089 1 14 . 1 1 65 65 VAL N N 65 124.665 124.665 122.776 1.889 19579 9090 1 14 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.545 -0.301 19579 9091 1 14 . 1 1 65 65 VAL C C 65 180.072 180.072 177.682 2.390 19579 9092 1 14 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.882 1.122 19579 9093 1 14 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.862 -0.154 19579 9094 1 14 . 1 1 65 65 VAL H H 65 8.584 8.584 7.655 0.929 19579 9095 1 14 . 1 1 66 66 VAL N N 66 120.803 120.803 119.163 1.640 19579 9096 1 14 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.563 0.160 19579 9097 1 14 . 1 1 66 66 VAL C C 66 179.829 179.829 178.201 1.628 19579 9098 1 14 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.912 0.303 19579 9099 1 14 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.139 0.616 19579 9100 1 14 . 1 1 66 66 VAL H H 66 8.305 8.305 7.831 0.474 19579 9101 1 14 . 1 1 67 67 ALA N N 67 123.266 123.266 121.387 1.879 19579 9102 1 14 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.162 0.002 19579 9103 1 14 . 1 1 67 67 ALA C C 67 178.560 178.560 178.673 -0.113 19579 9104 1 14 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.379 0.045 19579 9105 1 14 . 1 1 67 67 ALA CB C 67 18.011 18.011 17.973 0.038 19579 9106 1 14 . 1 1 67 67 ALA H H 67 7.979 7.979 7.973 0.006 19579 9107 1 14 . 1 1 68 68 SER N N 68 112.669 112.669 114.096 -1.427 19579 9108 1 14 . 1 1 68 68 SER HA H 68 4.436 4.436 4.340 0.096 19579 9109 1 14 . 1 1 68 68 SER C C 68 174.555 174.555 175.128 -0.573 19579 9110 1 14 . 1 1 68 68 SER CA C 68 59.634 59.634 58.993 0.641 19579 9111 1 14 . 1 1 68 68 SER CB C 68 63.943 63.943 63.814 0.129 19579 9112 1 14 . 1 1 68 68 SER H H 68 7.674 7.674 7.628 0.046 19579 9113 1 14 . 1 1 69 69 GLY N N 69 109.146 109.146 108.264 0.882 19579 9114 1 14 . 1 1 69 69 GLY C C 69 173.904 173.904 173.826 0.078 19579 9115 1 14 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.795 0.436 19579 9116 1 14 . 1 1 69 69 GLY H H 69 7.939 7.939 7.555 0.384 19579 9117 1 14 . 1 1 70 70 VAL N N 70 119.926 119.926 118.774 1.152 19579 9118 1 14 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.197 -0.287 19579 9119 1 14 . 1 1 70 70 VAL C C 70 174.997 174.997 175.330 -0.333 19579 9120 1 14 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.106 1.178 19579 9121 1 14 . 1 1 70 70 VAL CB C 70 32.424 32.424 34.026 -1.602 19579 9122 1 14 . 1 1 70 70 VAL H H 70 6.723 6.723 7.361 -0.638 19579 9123 1 14 . 1 1 71 71 SER N N 71 120.581 120.581 119.177 1.404 19579 9124 1 14 . 1 1 71 71 SER HA H 71 4.386 4.386 4.442 -0.056 19579 9125 1 14 . 1 1 71 71 SER C C 71 175.559 175.559 176.081 -0.522 19579 9126 1 14 . 1 1 71 71 SER CA C 71 58.441 58.441 58.115 0.326 19579 9127 1 14 . 1 1 71 71 SER CB C 71 64.632 64.632 64.013 0.619 19579 9128 1 14 . 1 1 71 71 SER H H 71 8.577 8.577 8.515 0.062 19579 9129 1 14 . 1 1 72 72 SER N N 72 117.898 117.898 120.002 -2.104 19579 9130 1 14 . 1 1 72 72 SER HA H 72 4.083 4.083 4.043 0.040 19579 9131 1 14 . 1 1 72 72 SER C C 72 176.255 176.255 176.596 -0.341 19579 9132 1 14 . 1 1 72 72 SER CA C 72 61.586 61.586 62.637 -1.051 19579 9133 1 14 . 1 1 72 72 SER CB C 72 62.622 62.622 63.086 -0.464 19579 9134 1 14 . 1 1 72 72 SER H H 72 8.889 8.889 8.740 0.149 19579 9135 1 14 . 1 1 73 73 ASN N N 73 118.976 118.976 119.457 -0.481 19579 9136 1 14 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.415 0.242 19579 9137 1 14 . 1 1 73 73 ASN C C 73 176.506 176.506 177.286 -0.780 19579 9138 1 14 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.652 0.409 19579 9139 1 14 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.458 -0.458 19579 9140 1 14 . 1 1 73 73 ASN H H 73 8.519 8.519 8.613 -0.094 19579 9141 1 14 . 1 1 74 74 GLU N N 74 118.543 118.543 119.485 -0.942 19579 9142 1 14 . 1 1 74 74 GLU HA H 74 4.110 4.110 3.938 0.172 19579 9143 1 14 . 1 1 74 74 GLU C C 74 176.994 176.994 178.138 -1.144 19579 9144 1 14 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.409 -0.383 19579 9145 1 14 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.346 2.017 19579 9146 1 14 . 1 1 74 74 GLU H H 74 7.768 7.768 7.569 0.199 19579 9147 1 14 . 1 1 75 75 ALA N N 75 121.901 121.901 124.277 -2.376 19579 9148 1 14 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.937 -0.247 19579 9149 1 14 . 1 1 75 75 ALA C C 75 178.318 178.318 179.274 -0.956 19579 9150 1 14 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.338 -0.110 19579 9151 1 14 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.398 0.243 19579 9152 1 14 . 1 1 75 75 ALA H H 75 8.069 8.069 8.485 -0.416 19579 9153 1 14 . 1 1 76 76 LEU N N 76 117.360 117.360 119.641 -2.281 19579 9154 1 14 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.250 -0.140 19579 9155 1 14 . 1 1 76 76 LEU C C 76 177.854 177.854 178.666 -0.812 19579 9156 1 14 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.803 0.211 19579 9157 1 14 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.036 -1.268 19579 9158 1 14 . 1 1 76 76 LEU H H 76 8.121 8.121 7.457 0.664 19579 9159 1 14 . 1 1 77 77 ILE N N 77 116.714 116.714 119.336 -2.622 19579 9160 1 14 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.595 -0.143 19579 9161 1 14 . 1 1 77 77 ILE C C 77 176.883 176.883 178.136 -1.253 19579 9162 1 14 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.971 -0.713 19579 9163 1 14 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.800 -0.058 19579 9164 1 14 . 1 1 77 77 ILE H H 77 7.607 7.607 7.622 -0.015 19579 9165 1 14 . 1 1 78 78 GLN N N 78 119.338 119.338 119.506 -0.168 19579 9166 1 14 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.879 -0.247 19579 9167 1 14 . 1 1 78 78 GLN C C 78 177.521 177.521 178.177 -0.656 19579 9168 1 14 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.300 1.020 19579 9169 1 14 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.569 -0.394 19579 9170 1 14 . 1 1 78 78 GLN H H 78 8.119 8.119 8.567 -0.448 19579 9171 1 14 . 1 1 79 79 ALA N N 79 119.218 119.218 123.181 -3.963 19579 9172 1 14 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.010 -0.138 19579 9173 1 14 . 1 1 79 79 ALA C C 79 179.311 179.311 179.953 -0.642 19579 9174 1 14 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.221 -0.396 19579 9175 1 14 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.195 -0.376 19579 9176 1 14 . 1 1 79 79 ALA H H 79 8.639 8.639 7.680 0.959 19579 9177 1 14 . 1 1 80 80 LEU N N 80 116.262 116.262 118.614 -2.352 19579 9178 1 14 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.057 -0.158 19579 9179 1 14 . 1 1 80 80 LEU C C 80 178.914 178.914 179.275 -0.361 19579 9180 1 14 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.220 0.791 19579 9181 1 14 . 1 1 80 80 LEU CB C 80 41.615 41.615 40.652 0.963 19579 9182 1 14 . 1 1 80 80 LEU H H 80 8.450 8.450 8.043 0.407 19579 9183 1 14 . 1 1 81 81 LEU N N 81 118.995 118.995 120.207 -1.212 19579 9184 1 14 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.829 0.143 19579 9185 1 14 . 1 1 81 81 LEU C C 81 180.127 180.127 179.289 0.838 19579 9186 1 14 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.559 -0.577 19579 9187 1 14 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.234 1.309 19579 9188 1 14 . 1 1 81 81 LEU H H 81 8.151 8.151 8.291 -0.140 19579 9189 1 14 . 1 1 82 82 GLU N N 82 124.890 124.890 118.593 6.297 19579 9190 1 14 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.035 -0.402 19579 9191 1 14 . 1 1 82 82 GLU C C 82 178.505 178.505 179.526 -1.021 19579 9192 1 14 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.142 2.158 19579 9193 1 14 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.537 0.242 19579 9194 1 14 . 1 1 82 82 GLU H H 82 8.659 8.659 8.069 0.590 19579 9195 1 14 . 1 1 83 83 LEU N N 83 121.487 121.487 121.284 0.203 19579 9196 1 14 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.154 -0.334 19579 9197 1 14 . 1 1 83 83 LEU C C 83 178.163 178.163 178.868 -0.705 19579 9198 1 14 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.654 0.501 19579 9199 1 14 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.426 0.208 19579 9200 1 14 . 1 1 83 83 LEU H H 83 8.658 8.658 7.752 0.906 19579 9201 1 14 . 1 1 84 84 LEU N N 84 118.904 118.904 118.324 0.580 19579 9202 1 14 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.166 -0.380 19579 9203 1 14 . 1 1 84 84 LEU C C 84 178.064 178.064 179.447 -1.383 19579 9204 1 14 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.280 1.383 19579 9205 1 14 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.518 1.687 19579 9206 1 14 . 1 1 84 84 LEU H H 84 8.803 8.803 8.624 0.179 19579 9207 1 14 . 1 1 85 85 SER N N 85 114.347 114.347 114.566 -0.219 19579 9208 1 14 . 1 1 85 85 SER HA H 85 4.211 4.211 4.427 -0.216 19579 9209 1 14 . 1 1 85 85 SER C C 85 174.633 174.633 175.807 -1.174 19579 9210 1 14 . 1 1 85 85 SER CA C 85 62.957 62.957 60.222 2.735 19579 9211 1 14 . 1 1 85 85 SER CB C 85 62.947 62.947 63.158 -0.211 19579 9212 1 14 . 1 1 85 85 SER H H 85 7.879 7.879 7.953 -0.074 19579 9213 1 14 . 1 1 86 86 ALA N N 86 124.206 124.206 125.024 -0.818 19579 9214 1 14 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.101 -0.331 19579 9215 1 14 . 1 1 86 86 ALA C C 86 178.538 178.538 179.338 -0.800 19579 9216 1 14 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.350 0.016 19579 9217 1 14 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.394 -1.050 19579 9218 1 14 . 1 1 86 86 ALA H H 86 8.199 8.199 7.302 0.897 19579 9219 1 14 . 1 1 87 87 LEU N N 87 116.463 116.463 115.181 1.282 19579 9220 1 14 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.224 -0.403 19579 9221 1 14 . 1 1 87 87 LEU C C 87 178.709 178.709 178.487 0.222 19579 9222 1 14 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.538 0.816 19579 9223 1 14 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.319 2.275 19579 9224 1 14 . 1 1 87 87 LEU H H 87 8.140 8.140 7.568 0.572 19579 9225 1 14 . 1 1 88 88 VAL N N 88 118.854 118.854 120.299 -1.445 19579 9226 1 14 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.637 -0.234 19579 9227 1 14 . 1 1 88 88 VAL C C 88 177.766 177.766 178.035 -0.269 19579 9228 1 14 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.882 -0.216 19579 9229 1 14 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.312 0.135 19579 9230 1 14 . 1 1 88 88 VAL H H 88 8.716 8.716 7.696 1.020 19579 9231 1 14 . 1 1 89 89 HIS N N 89 121.227 121.227 119.352 1.875 19579 9232 1 14 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.294 -0.255 19579 9233 1 14 . 1 1 89 89 HIS C C 89 178.880 178.880 177.965 0.915 19579 9234 1 14 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.954 1.368 19579 9235 1 14 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.187 1.561 19579 9236 1 14 . 1 1 89 89 HIS H H 89 8.664 8.664 7.921 0.743 19579 9237 1 14 . 1 1 90 90 VAL N N 90 118.094 118.094 118.430 -0.336 19579 9238 1 14 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.908 -0.341 19579 9239 1 14 . 1 1 90 90 VAL C C 90 177.733 177.733 177.305 0.428 19579 9240 1 14 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.488 1.342 19579 9241 1 14 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.069 0.531 19579 9242 1 14 . 1 1 90 90 VAL H H 90 7.994 7.994 7.600 0.394 19579 9243 1 14 . 1 1 91 91 LEU N N 91 119.672 119.672 120.947 -1.275 19579 9244 1 14 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.067 -0.235 19579 9245 1 14 . 1 1 91 91 LEU C C 91 178.869 178.869 179.056 -0.187 19579 9246 1 14 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.883 -0.125 19579 9247 1 14 . 1 1 91 91 LEU CB C 91 41.939 41.939 39.981 1.958 19579 9248 1 14 . 1 1 91 91 LEU H H 91 8.393 8.393 8.310 0.083 19579 9249 1 14 . 1 1 92 92 SER N N 92 113.554 113.554 113.170 0.384 19579 9250 1 14 . 1 1 92 92 SER HA H 92 4.297 4.297 4.130 0.167 19579 9251 1 14 . 1 1 92 92 SER C C 92 174.500 174.500 175.522 -1.022 19579 9252 1 14 . 1 1 92 92 SER CA C 92 61.410 61.410 60.681 0.730 19579 9253 1 14 . 1 1 92 92 SER CB C 92 63.254 63.254 62.914 0.340 19579 9254 1 14 . 1 1 92 92 SER H H 92 7.900 7.900 7.676 0.224 19579 9255 1 14 . 1 1 93 93 SER N N 93 115.055 115.055 115.510 -0.455 19579 9256 1 14 . 1 1 93 93 SER HA H 93 4.704 4.704 4.564 0.140 19579 9257 1 14 . 1 1 93 93 SER C C 93 173.044 173.044 175.321 -2.277 19579 9258 1 14 . 1 1 93 93 SER CA C 93 57.967 57.967 58.736 -0.769 19579 9259 1 14 . 1 1 93 93 SER CB C 93 64.574 64.574 63.829 0.745 19579 9260 1 14 . 1 1 93 93 SER H H 93 7.420 7.420 7.477 -0.057 19579 9261 1 14 . 1 1 94 94 ALA N N 94 124.504 124.504 125.777 -1.273 19579 9262 1 14 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.167 0.462 19579 9263 1 14 . 1 1 94 94 ALA C C 94 176.199 176.199 177.427 -1.228 19579 9264 1 14 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.413 -1.944 19579 9265 1 14 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.797 2.823 19579 9266 1 14 . 1 1 94 94 ALA H H 94 7.476 7.476 7.526 -0.050 19579 9267 1 14 . 1 1 95 95 SER N N 95 115.739 115.739 112.309 3.430 19579 9268 1 14 . 1 1 95 95 SER HA H 95 4.758 4.758 4.038 0.720 19579 9269 1 14 . 1 1 95 95 SER C C 95 174.136 174.136 174.089 0.047 19579 9270 1 14 . 1 1 95 95 SER CA C 95 57.343 57.343 58.717 -1.374 19579 9271 1 14 . 1 1 95 95 SER CB C 95 63.303 63.303 60.861 2.442 19579 9272 1 14 . 1 1 95 95 SER H H 95 8.483 8.483 7.866 0.617 19579 9273 1 14 . 1 1 96 96 ILE N N 96 128.288 128.288 121.696 6.592 19579 9274 1 14 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.106 -0.113 19579 9275 1 14 . 1 1 96 96 ILE C C 96 175.868 175.868 176.247 -0.379 19579 9276 1 14 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.025 -0.663 19579 9277 1 14 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.679 -1.066 19579 9278 1 14 . 1 1 96 96 ILE H H 96 8.869 8.869 7.959 0.910 19579 9279 1 14 . 1 1 97 97 GLY N N 97 115.495 115.495 116.082 -0.587 19579 9280 1 14 . 1 1 97 97 GLY C C 97 173.022 173.022 172.957 0.065 19579 9281 1 14 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.325 -0.455 19579 9282 1 14 . 1 1 97 97 GLY H H 97 8.272 8.272 8.640 -0.368 19579 9283 1 14 . 1 1 98 98 ASN N N 98 120.819 120.819 116.366 4.453 19579 9284 1 14 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.960 -0.312 19579 9285 1 14 . 1 1 98 98 ASN C C 98 174.809 174.809 173.359 1.450 19579 9286 1 14 . 1 1 98 98 ASN CA C 98 53.426 53.426 53.043 0.383 19579 9287 1 14 . 1 1 98 98 ASN CB C 98 38.665 38.665 41.273 -2.608 19579 9288 1 14 . 1 1 98 98 ASN H H 98 8.420 8.420 8.439 -0.019 19579 9289 1 14 . 1 1 99 99 VAL N N 99 122.960 122.960 124.369 -1.409 19579 9290 1 14 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.345 -0.171 19579 9291 1 14 . 1 1 99 99 VAL C C 99 174.500 174.500 176.525 -2.025 19579 9292 1 14 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.700 -0.332 19579 9293 1 14 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.483 -0.077 19579 9294 1 14 . 1 1 99 99 VAL H H 99 8.292 8.292 8.284 0.008 19579 9295 1 14 . 1 1 100 100 SER N N 100 120.723 120.723 121.415 -0.692 19579 9296 1 14 . 1 1 100 100 SER HA H 100 4.756 4.756 4.603 0.153 19579 9297 1 14 . 1 1 100 100 SER C C 100 174.235 174.235 174.326 -0.091 19579 9298 1 14 . 1 1 100 100 SER CA C 100 56.687 56.687 58.311 -1.624 19579 9299 1 14 . 1 1 100 100 SER CB C 100 64.904 64.904 64.000 0.904 19579 9300 1 14 . 1 1 100 100 SER H H 100 8.644 8.644 8.243 0.401 19579 9301 1 14 . 1 1 101 101 SER N N 101 117.236 117.236 114.918 2.318 19579 9302 1 14 . 1 1 101 101 SER HA H 101 4.130 4.130 4.644 -0.514 19579 9303 1 14 . 1 1 101 101 SER CA C 101 59.000 59.000 58.436 0.564 19579 9304 1 14 . 1 1 101 101 SER CB C 101 63.104 63.104 63.486 -0.382 19579 9305 1 14 . 1 1 102 102 VAL N N 102 124.874 124.874 122.249 2.625 19579 9306 1 14 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.217 -0.396 19579 9307 1 14 . 1 1 102 102 VAL C C 102 177.545 177.545 175.407 2.138 19579 9308 1 14 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.375 3.207 19579 9309 1 14 . 1 1 102 102 VAL CB C 102 31.480 31.480 31.703 -0.223 19579 9310 1 14 . 1 1 102 102 VAL H H 102 8.090 8.090 7.844 0.246 19579 9311 1 14 . 1 1 103 103 GLY N N 103 114.589 114.589 113.998 0.591 19579 9312 1 14 . 1 1 103 103 GLY C C 103 176.387 176.387 175.299 1.088 19579 9313 1 14 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.360 0.326 19579 9314 1 14 . 1 1 103 103 GLY H H 103 9.051 9.051 8.651 0.400 19579 9315 1 14 . 1 1 104 104 VAL N N 104 121.976 121.976 121.778 0.198 19579 9316 1 14 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.692 -0.344 19579 9317 1 14 . 1 1 104 104 VAL C C 104 176.045 176.045 177.220 -1.175 19579 9318 1 14 . 1 1 104 104 VAL CA C 104 65.889 65.889 65.059 0.830 19579 9319 1 14 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.506 -0.241 19579 9320 1 14 . 1 1 104 104 VAL H H 104 7.753 7.753 8.032 -0.279 19579 9321 1 14 . 1 1 105 105 ASP N N 105 117.868 117.868 118.864 -0.996 19579 9322 1 14 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.263 -0.112 19579 9323 1 14 . 1 1 105 105 ASP C C 105 178.406 178.406 177.968 0.438 19579 9324 1 14 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.528 -0.818 19579 9325 1 14 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.727 -2.075 19579 9326 1 14 . 1 1 105 105 ASP H H 105 8.719 8.719 8.775 -0.056 19579 9327 1 14 . 1 1 106 106 SER N N 106 117.500 117.500 113.724 3.776 19579 9328 1 14 . 1 1 106 106 SER HA H 106 4.306 4.306 4.400 -0.094 19579 9329 1 14 . 1 1 106 106 SER C C 106 176.784 176.784 176.385 0.399 19579 9330 1 14 . 1 1 106 106 SER CA C 106 61.523 61.523 60.953 0.570 19579 9331 1 14 . 1 1 106 106 SER CB C 106 62.480 62.480 63.342 -0.862 19579 9332 1 14 . 1 1 106 106 SER H H 106 7.685 7.685 7.713 -0.028 19579 9333 1 14 . 1 1 107 107 THR N N 107 121.741 121.741 120.109 1.632 19579 9334 1 14 . 1 1 107 107 THR HA H 107 4.373 4.373 4.077 0.296 19579 9335 1 14 . 1 1 107 107 THR C C 107 176.227 176.227 176.912 -0.685 19579 9336 1 14 . 1 1 107 107 THR CA C 107 66.648 66.648 66.310 0.338 19579 9337 1 14 . 1 1 107 107 THR CB C 107 66.884 66.884 68.818 -1.934 19579 9338 1 14 . 1 1 107 107 THR H H 107 8.024 8.024 7.366 0.658 19579 9339 1 14 . 1 1 108 108 LEU N N 108 122.175 122.175 121.438 0.737 19579 9340 1 14 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.929 -0.013 19579 9341 1 14 . 1 1 108 108 LEU C C 108 178.560 178.560 178.119 0.441 19579 9342 1 14 . 1 1 108 108 LEU CA C 108 59.169 59.169 58.367 0.802 19579 9343 1 14 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.419 -0.390 19579 9344 1 14 . 1 1 108 108 LEU H H 108 8.475 8.475 8.557 -0.082 19579 9345 1 14 . 1 1 109 109 ASN N N 109 116.499 116.499 116.612 -0.113 19579 9346 1 14 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.612 -0.126 19579 9347 1 14 . 1 1 109 109 ASN C C 109 177.181 177.181 177.396 -0.215 19579 9348 1 14 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.793 0.706 19579 9349 1 14 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.282 0.703 19579 9350 1 14 . 1 1 109 109 ASN H H 109 7.567 7.567 7.634 -0.067 19579 9351 1 14 . 1 1 110 110 VAL N N 110 121.382 121.382 119.988 1.394 19579 9352 1 14 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.788 0.089 19579 9353 1 14 . 1 1 110 110 VAL C C 110 180.116 180.116 177.623 2.493 19579 9354 1 14 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.364 -0.128 19579 9355 1 14 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.812 -0.252 19579 9356 1 14 . 1 1 110 110 VAL H H 110 7.978 7.978 7.727 0.251 19579 9357 1 14 . 1 1 111 111 VAL N N 111 123.748 123.748 120.343 3.405 19579 9358 1 14 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.631 -0.273 19579 9359 1 14 . 1 1 111 111 VAL C C 111 177.424 177.424 177.020 0.404 19579 9360 1 14 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.599 2.583 19579 9361 1 14 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.779 -0.673 19579 9362 1 14 . 1 1 111 111 VAL H H 111 8.228 8.228 7.490 0.738 19579 9363 1 14 . 1 1 112 112 GLN N N 112 120.331 120.331 118.536 1.795 19579 9364 1 14 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.900 -0.302 19579 9365 1 14 . 1 1 112 112 GLN C C 112 178.329 178.329 178.307 0.022 19579 9366 1 14 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.398 0.911 19579 9367 1 14 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.229 1.913 19579 9368 1 14 . 1 1 112 112 GLN H H 112 8.719 8.719 7.813 0.906 19579 9369 1 14 . 1 1 113 113 ASP N N 113 117.931 117.931 118.007 -0.076 19579 9370 1 14 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.490 -0.140 19579 9371 1 14 . 1 1 113 113 ASP C C 113 178.406 178.406 177.637 0.769 19579 9372 1 14 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.301 0.728 19579 9373 1 14 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.804 0.490 19579 9374 1 14 . 1 1 113 113 ASP H H 113 8.410 8.410 7.781 0.629 19579 9375 1 14 . 1 1 114 114 SER N N 114 113.798 113.798 114.997 -1.199 19579 9376 1 14 . 1 1 114 114 SER HA H 114 4.310 4.310 4.417 -0.107 19579 9377 1 14 . 1 1 114 114 SER C C 114 175.416 175.416 175.974 -0.558 19579 9378 1 14 . 1 1 114 114 SER CA C 114 61.981 61.981 61.080 0.901 19579 9379 1 14 . 1 1 114 114 SER CB C 114 63.618 63.618 63.828 -0.210 19579 9380 1 14 . 1 1 114 114 SER H H 114 7.973 7.973 7.505 0.468 19579 9381 1 14 . 1 1 115 115 VAL N N 115 115.306 115.306 120.503 -5.197 19579 9382 1 14 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.442 -0.235 19579 9383 1 14 . 1 1 115 115 VAL C C 115 177.325 177.325 177.037 0.288 19579 9384 1 14 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.929 1.335 19579 9385 1 14 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.366 0.001 19579 9386 1 14 . 1 1 115 115 VAL H H 115 8.090 8.090 8.089 0.001 19579 9387 1 14 . 1 1 116 116 GLY N N 116 107.952 107.952 108.901 -0.949 19579 9388 1 14 . 1 1 116 116 GLY C C 116 175.129 175.129 174.900 0.229 19579 9389 1 14 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.555 0.275 19579 9390 1 14 . 1 1 116 116 GLY H H 116 7.991 7.991 7.941 0.050 19579 9391 1 14 . 1 1 117 117 GLN N N 117 116.191 116.191 118.065 -1.874 19579 9392 1 14 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.128 -0.075 19579 9393 1 14 . 1 1 117 117 GLN C C 117 176.056 176.056 176.308 -0.252 19579 9394 1 14 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.181 -0.125 19579 9395 1 14 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.752 0.740 19579 9396 1 14 . 1 1 117 117 GLN H H 117 7.721 7.721 7.912 -0.191 19579 9397 1 14 . 1 1 118 118 TYR N N 118 116.504 116.504 117.445 -0.941 19579 9398 1 14 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.306 -0.080 19579 9399 1 14 . 1 1 118 118 TYR C C 118 174.919 174.919 177.373 -2.454 19579 9400 1 14 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.494 -0.843 19579 9401 1 14 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.189 -0.198 19579 9402 1 14 . 1 1 118 118 TYR H H 118 7.685 7.685 7.733 -0.048 19579 9403 1 14 . 1 1 119 119 VAL N N 119 115.145 115.145 116.523 -1.378 19579 9404 1 14 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.900 0.294 19579 9405 1 14 . 1 1 119 119 VAL C C 119 174.666 174.666 177.143 -2.477 19579 9406 1 14 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.055 -2.093 19579 9407 1 14 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.674 0.943 19579 9408 1 14 . 1 1 119 119 VAL H H 119 7.132 7.132 7.573 -0.441 19579 9409 1 15 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.186 -0.310 19579 9410 1 15 . 1 1 -2 -2 ASN N N -2 118.808 118.808 120.079 -1.271 19579 9411 1 15 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.896 0.288 19579 9412 1 15 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.854 -0.455 19579 9413 1 15 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.333 -0.026 19579 9414 1 15 . 1 1 2 2 THR N N 2 116.876 116.876 118.644 -1.768 19579 9415 1 15 . 1 1 2 2 THR HA H 2 4.348 4.348 4.580 -0.232 19579 9416 1 15 . 1 1 2 2 THR C C 2 174.600 174.600 175.068 -0.468 19579 9417 1 15 . 1 1 2 2 THR CA C 2 61.785 61.785 61.629 0.156 19579 9418 1 15 . 1 1 2 2 THR CB C 2 69.800 69.800 69.468 0.332 19579 9419 1 15 . 1 1 2 2 THR H H 2 8.176 8.176 8.337 -0.161 19579 9420 1 15 . 1 1 3 3 SER N N 3 117.968 117.968 122.462 -4.494 19579 9421 1 15 . 1 1 3 3 SER C C 3 174.732 174.732 174.685 0.047 19579 9422 1 15 . 1 1 3 3 SER CA C 3 58.585 58.585 59.263 -0.678 19579 9423 1 15 . 1 1 3 3 SER H H 3 8.248 8.248 8.918 -0.670 19579 9424 1 15 . 1 1 5 5 GLY N N 5 108.381 108.381 110.284 -1.903 19579 9425 1 15 . 1 1 5 5 GLY C C 5 173.728 173.728 173.765 -0.037 19579 9426 1 15 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.672 0.543 19579 9427 1 15 . 1 1 5 5 GLY H H 5 8.134 8.134 8.155 -0.021 19579 9428 1 15 . 1 1 6 6 TYR N N 6 120.011 120.011 121.343 -1.332 19579 9429 1 15 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.836 -0.372 19579 9430 1 15 . 1 1 6 6 TYR C C 6 176.232 176.232 175.534 0.698 19579 9431 1 15 . 1 1 6 6 TYR CA C 6 58.175 58.175 55.728 2.447 19579 9432 1 15 . 1 1 6 6 TYR CB C 6 38.764 38.764 38.704 0.060 19579 9433 1 15 . 1 1 6 6 TYR H H 6 8.096 8.096 7.998 0.098 19579 9434 1 15 . 1 1 7 7 GLY N N 7 110.530 110.530 112.111 -1.581 19579 9435 1 15 . 1 1 7 7 GLY C C 7 173.772 173.772 172.908 0.864 19579 9436 1 15 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.626 0.596 19579 9437 1 15 . 1 1 7 7 GLY H H 7 8.283 8.283 8.557 -0.274 19579 9438 1 15 . 1 1 8 8 TYR N N 8 120.132 120.132 119.572 0.560 19579 9439 1 15 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.557 -0.074 19579 9440 1 15 . 1 1 8 8 TYR C C 8 176.420 176.420 176.713 -0.293 19579 9441 1 15 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.579 0.755 19579 9442 1 15 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.344 -1.599 19579 9443 1 15 . 1 1 8 8 TYR H H 8 7.987 7.987 8.228 -0.241 19579 9444 1 15 . 1 1 9 9 GLY N N 9 110.831 110.831 113.799 -2.968 19579 9445 1 15 . 1 1 9 9 GLY C C 9 174.335 174.335 174.168 0.167 19579 9446 1 15 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.682 0.767 19579 9447 1 15 . 1 1 9 9 GLY H H 9 8.400 8.400 8.737 -0.337 19579 9448 1 15 . 1 1 10 10 THR N N 10 113.216 113.216 115.693 -2.477 19579 9449 1 15 . 1 1 10 10 THR HA H 10 4.366 4.366 4.280 0.086 19579 9450 1 15 . 1 1 10 10 THR C C 10 174.721 174.721 175.414 -0.693 19579 9451 1 15 . 1 1 10 10 THR CA C 10 61.829 61.829 61.813 0.016 19579 9452 1 15 . 1 1 10 10 THR CB C 10 69.881 69.881 69.040 0.841 19579 9453 1 15 . 1 1 10 10 THR H H 10 8.012 8.012 7.732 0.280 19579 9454 1 15 . 1 1 11 11 SER N N 11 117.904 117.904 122.709 -4.805 19579 9455 1 15 . 1 1 11 11 SER HA H 11 4.414 4.414 4.510 -0.096 19579 9456 1 15 . 1 1 11 11 SER C C 11 174.335 174.335 174.322 0.013 19579 9457 1 15 . 1 1 11 11 SER CA C 11 58.363 58.363 58.171 0.192 19579 9458 1 15 . 1 1 11 11 SER CB C 11 63.911 63.911 62.263 1.648 19579 9459 1 15 . 1 1 11 11 SER H H 11 8.342 8.342 8.736 -0.394 19579 9460 1 15 . 1 1 12 12 ALA N N 12 126.003 126.003 126.657 -0.654 19579 9461 1 15 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.255 -0.017 19579 9462 1 15 . 1 1 12 12 ALA C C 12 177.468 177.468 176.778 0.690 19579 9463 1 15 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.172 0.600 19579 9464 1 15 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.045 0.043 19579 9465 1 15 . 1 1 12 12 ALA H H 12 8.274 8.274 7.961 0.313 19579 9466 1 15 . 1 1 13 13 ALA N N 13 122.954 122.954 122.711 0.243 19579 9467 1 15 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.193 0.032 19579 9468 1 15 . 1 1 13 13 ALA C C 13 178.207 178.207 177.512 0.695 19579 9469 1 15 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.636 -0.057 19579 9470 1 15 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.300 -0.009 19579 9471 1 15 . 1 1 13 13 ALA H H 13 8.121 8.121 7.757 0.364 19579 9472 1 15 . 1 1 14 14 ALA N N 14 123.733 123.733 125.927 -2.194 19579 9473 1 15 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.319 -0.062 19579 9474 1 15 . 1 1 14 14 ALA C C 14 178.227 178.227 178.461 -0.234 19579 9475 1 15 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.546 1.203 19579 9476 1 15 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.768 -0.492 19579 9477 1 15 . 1 1 14 14 ALA H H 14 8.262 8.262 8.166 0.096 19579 9478 1 15 . 1 1 15 15 GLY N N 15 108.014 108.014 109.600 -1.586 19579 9479 1 15 . 1 1 15 15 GLY C C 15 173.849 173.849 173.578 0.271 19579 9480 1 15 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.533 0.778 19579 9481 1 15 . 1 1 15 15 GLY H H 15 8.239 8.239 8.797 -0.558 19579 9482 1 15 . 1 1 16 16 ALA N N 16 123.529 123.529 124.268 -0.739 19579 9483 1 15 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.557 -0.259 19579 9484 1 15 . 1 1 16 16 ALA C C 16 178.108 178.108 176.478 1.630 19579 9485 1 15 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.691 1.020 19579 9486 1 15 . 1 1 16 16 ALA CB C 16 19.316 19.316 19.840 -0.524 19579 9487 1 15 . 1 1 16 16 ALA H H 16 8.102 8.102 7.573 0.529 19579 9488 1 15 . 1 1 17 17 GLY N N 17 108.099 108.099 111.009 -2.910 19579 9489 1 15 . 1 1 17 17 GLY C C 17 174.081 174.081 174.229 -0.148 19579 9490 1 15 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.057 0.178 19579 9491 1 15 . 1 1 17 17 GLY H H 17 8.356 8.356 8.698 -0.342 19579 9492 1 15 . 1 1 18 18 VAL N N 18 119.220 119.220 122.008 -2.788 19579 9493 1 15 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.276 -0.209 19579 9494 1 15 . 1 1 18 18 VAL C C 18 175.946 175.946 175.517 0.429 19579 9495 1 15 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.385 0.898 19579 9496 1 15 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.448 0.316 19579 9497 1 15 . 1 1 18 18 VAL H H 18 7.899 7.899 7.838 0.062 19579 9498 1 15 . 1 1 19 19 ALA N N 19 127.804 127.804 121.769 6.035 19579 9499 1 15 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.540 0.747 19579 9500 1 15 . 1 1 19 19 ALA C C 19 177.303 177.303 175.632 1.671 19579 9501 1 15 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.334 -0.874 19579 9502 1 15 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.452 1.847 19579 9503 1 15 . 1 1 19 19 ALA H H 19 8.377 8.377 7.992 0.385 19579 9504 1 15 . 1 1 20 20 ALA N N 20 123.602 123.602 120.167 3.435 19579 9505 1 15 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.664 -0.385 19579 9506 1 15 . 1 1 20 20 ALA C C 20 178.086 178.086 177.673 0.413 19579 9507 1 15 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.233 1.519 19579 9508 1 15 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.884 -1.569 19579 9509 1 15 . 1 1 20 20 ALA H H 20 8.261 8.261 7.834 0.427 19579 9510 1 15 . 1 1 21 21 GLY N N 21 108.033 108.033 114.178 -6.145 19579 9511 1 15 . 1 1 21 21 GLY C C 21 174.213 174.213 174.949 -0.736 19579 9512 1 15 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.484 -1.193 19579 9513 1 15 . 1 1 21 21 GLY H H 21 8.323 8.323 8.988 -0.665 19579 9514 1 15 . 1 1 22 22 SER N N 22 115.596 115.596 118.572 -2.976 19579 9515 1 15 . 1 1 22 22 SER HA H 22 4.369 4.369 4.502 -0.133 19579 9516 1 15 . 1 1 22 22 SER C C 22 175.328 175.328 172.919 2.409 19579 9517 1 15 . 1 1 22 22 SER CA C 22 58.686 58.686 58.140 0.546 19579 9518 1 15 . 1 1 22 22 SER CB C 22 63.915 63.915 64.180 -0.265 19579 9519 1 15 . 1 1 22 22 SER H H 22 8.118 8.118 8.253 -0.135 19579 9520 1 15 . 1 1 23 23 TYR N N 23 121.490 121.490 119.782 1.708 19579 9521 1 15 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.814 -0.045 19579 9522 1 15 . 1 1 23 23 TYR C C 23 175.890 175.890 174.960 0.930 19579 9523 1 15 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.864 0.860 19579 9524 1 15 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.464 -1.601 19579 9525 1 15 . 1 1 23 23 TYR H H 23 8.620 8.620 7.134 1.486 19579 9526 1 15 . 1 1 24 24 ALA N N 24 121.940 121.940 126.251 -4.311 19579 9527 1 15 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.753 -0.872 19579 9528 1 15 . 1 1 24 24 ALA C C 24 179.366 179.366 177.920 1.446 19579 9529 1 15 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.066 3.327 19579 9530 1 15 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.143 -1.603 19579 9531 1 15 . 1 1 24 24 ALA H H 24 8.127 8.127 9.050 -0.923 19579 9532 1 15 . 1 1 25 25 GLY N N 25 106.527 106.527 108.705 -2.178 19579 9533 1 15 . 1 1 25 25 GLY C C 25 175.074 175.074 175.178 -0.104 19579 9534 1 15 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.277 -0.080 19579 9535 1 15 . 1 1 25 25 GLY H H 25 8.647 8.647 8.706 -0.059 19579 9536 1 15 . 1 1 26 26 ALA N N 26 122.752 122.752 123.473 -0.721 19579 9537 1 15 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.185 -0.158 19579 9538 1 15 . 1 1 26 26 ALA C C 26 177.490 177.490 178.832 -1.342 19579 9539 1 15 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.125 -0.589 19579 9540 1 15 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.195 0.780 19579 9541 1 15 . 1 1 26 26 ALA H H 26 7.552 7.552 7.734 -0.182 19579 9542 1 15 . 1 1 27 27 VAL N N 27 113.110 113.110 115.372 -2.262 19579 9543 1 15 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.838 -0.377 19579 9544 1 15 . 1 1 27 27 VAL C C 27 179.366 179.366 178.114 1.252 19579 9545 1 15 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.800 0.763 19579 9546 1 15 . 1 1 27 27 VAL CB C 27 32.095 32.095 30.994 1.101 19579 9547 1 15 . 1 1 27 27 VAL H H 27 7.283 7.283 7.629 -0.346 19579 9548 1 15 . 1 1 28 28 ASN N N 28 119.671 119.671 120.135 -0.464 19579 9549 1 15 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.467 -0.112 19579 9550 1 15 . 1 1 28 28 ASN C C 28 177.667 177.667 177.950 -0.283 19579 9551 1 15 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.157 -0.066 19579 9552 1 15 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.989 0.331 19579 9553 1 15 . 1 1 28 28 ASN H H 28 8.374 8.374 8.431 -0.057 19579 9554 1 15 . 1 1 29 29 ARG N N 29 116.957 116.957 119.783 -2.826 19579 9555 1 15 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.321 -0.203 19579 9556 1 15 . 1 1 29 29 ARG C C 29 177.457 177.457 178.165 -0.708 19579 9557 1 15 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.591 1.104 19579 9558 1 15 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.455 0.682 19579 9559 1 15 . 1 1 29 29 ARG H H 29 7.860 7.860 7.998 -0.138 19579 9560 1 15 . 1 1 30 30 LEU N N 30 121.060 121.060 121.088 -0.028 19579 9561 1 15 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.201 -0.247 19579 9562 1 15 . 1 1 30 30 LEU C C 30 174.975 174.975 178.348 -3.373 19579 9563 1 15 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.922 0.300 19579 9564 1 15 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.726 -0.768 19579 9565 1 15 . 1 1 30 30 LEU H H 30 7.524 7.524 7.865 -0.341 19579 9566 1 15 . 1 1 31 31 SER N N 31 106.764 106.764 113.551 -6.787 19579 9567 1 15 . 1 1 31 31 SER HA H 31 4.523 4.523 4.495 0.028 19579 9568 1 15 . 1 1 31 31 SER C C 31 174.666 174.666 173.648 1.018 19579 9569 1 15 . 1 1 31 31 SER CA C 31 57.680 57.680 58.396 -0.716 19579 9570 1 15 . 1 1 31 31 SER CB C 31 63.290 63.290 62.221 1.069 19579 9571 1 15 . 1 1 31 31 SER H H 31 7.046 7.046 7.832 -0.786 19579 9572 1 15 . 1 1 32 32 SER N N 32 117.235 117.235 115.523 1.712 19579 9573 1 15 . 1 1 32 32 SER HA H 32 4.383 4.383 4.726 -0.343 19579 9574 1 15 . 1 1 32 32 SER C C 32 174.677 174.677 174.714 -0.037 19579 9575 1 15 . 1 1 32 32 SER CA C 32 58.027 58.027 56.610 1.417 19579 9576 1 15 . 1 1 32 32 SER CB C 32 66.069 66.069 64.625 1.444 19579 9577 1 15 . 1 1 32 32 SER H H 32 7.721 7.721 7.287 0.434 19579 9578 1 15 . 1 1 33 33 ALA N N 33 126.048 126.048 125.325 0.723 19579 9579 1 15 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.098 0.000 19579 9580 1 15 . 1 1 33 33 ALA C C 33 180.822 180.822 179.662 1.160 19579 9581 1 15 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.835 -0.094 19579 9582 1 15 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.749 -0.720 19579 9583 1 15 . 1 1 33 33 ALA H H 33 8.980 8.980 8.819 0.161 19579 9584 1 15 . 1 1 34 34 GLU N N 34 117.978 117.978 119.334 -1.356 19579 9585 1 15 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.908 0.027 19579 9586 1 15 . 1 1 34 34 GLU C C 34 178.560 178.560 178.704 -0.144 19579 9587 1 15 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.305 1.069 19579 9588 1 15 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.192 -0.379 19579 9589 1 15 . 1 1 34 34 GLU H H 34 8.993 8.993 7.759 1.234 19579 9590 1 15 . 1 1 35 35 ALA N N 35 123.748 123.748 121.599 2.149 19579 9591 1 15 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.302 -0.251 19579 9592 1 15 . 1 1 35 35 ALA C C 35 179.101 179.101 179.652 -0.551 19579 9593 1 15 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.921 0.498 19579 9594 1 15 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.274 1.010 19579 9595 1 15 . 1 1 35 35 ALA H H 35 7.443 7.443 8.160 -0.717 19579 9596 1 15 . 1 1 36 36 ALA N N 36 118.503 118.503 120.531 -2.028 19579 9597 1 15 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.875 -0.120 19579 9598 1 15 . 1 1 36 36 ALA C C 36 180.745 180.745 179.627 1.118 19579 9599 1 15 . 1 1 36 36 ALA CA C 36 55.541 55.541 54.907 0.634 19579 9600 1 15 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.413 -1.387 19579 9601 1 15 . 1 1 36 36 ALA H H 36 7.484 7.484 7.864 -0.380 19579 9602 1 15 . 1 1 37 37 SER N N 37 114.688 114.688 114.980 -0.292 19579 9603 1 15 . 1 1 37 37 SER HA H 37 4.170 4.170 4.396 -0.226 19579 9604 1 15 . 1 1 37 37 SER C C 37 177.214 177.214 176.581 0.633 19579 9605 1 15 . 1 1 37 37 SER CA C 37 61.628 61.628 61.811 -0.183 19579 9606 1 15 . 1 1 37 37 SER CB C 37 62.653 62.653 63.384 -0.731 19579 9607 1 15 . 1 1 37 37 SER H H 37 8.178 8.178 7.851 0.327 19579 9608 1 15 . 1 1 38 38 ARG N N 38 123.817 123.817 122.211 1.606 19579 9609 1 15 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.036 -0.032 19579 9610 1 15 . 1 1 38 38 ARG C C 38 179.564 179.564 178.694 0.870 19579 9611 1 15 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.307 1.350 19579 9612 1 15 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.304 1.509 19579 9613 1 15 . 1 1 38 38 ARG H H 38 7.882 7.882 7.858 0.024 19579 9614 1 15 . 1 1 39 39 VAL N N 39 120.446 120.446 119.366 1.080 19579 9615 1 15 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.645 -0.316 19579 9616 1 15 . 1 1 39 39 VAL C C 39 178.505 178.505 177.568 0.937 19579 9617 1 15 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.943 1.251 19579 9618 1 15 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.606 -0.036 19579 9619 1 15 . 1 1 39 39 VAL H H 39 8.543 8.543 8.259 0.284 19579 9620 1 15 . 1 1 40 40 SER N N 40 114.009 114.009 114.704 -0.695 19579 9621 1 15 . 1 1 40 40 SER HA H 40 4.080 4.080 3.980 0.100 19579 9622 1 15 . 1 1 40 40 SER C C 40 176.340 176.340 176.385 -0.045 19579 9623 1 15 . 1 1 40 40 SER CA C 40 62.940 62.940 61.974 0.966 19579 9624 1 15 . 1 1 40 40 SER CB C 40 62.953 62.953 62.507 0.446 19579 9625 1 15 . 1 1 40 40 SER H H 40 8.602 8.602 7.969 0.633 19579 9626 1 15 . 1 1 41 41 SER N N 41 114.648 114.648 114.971 -0.323 19579 9627 1 15 . 1 1 41 41 SER HA H 41 4.333 4.333 4.418 -0.085 19579 9628 1 15 . 1 1 41 41 SER C C 41 174.390 174.390 175.714 -1.324 19579 9629 1 15 . 1 1 41 41 SER CA C 41 60.828 60.828 59.361 1.467 19579 9630 1 15 . 1 1 41 41 SER CB C 41 63.563 63.563 63.311 0.252 19579 9631 1 15 . 1 1 41 41 SER H H 41 8.003 8.003 7.782 0.221 19579 9632 1 15 . 1 1 42 42 ASN N N 42 117.849 117.849 119.467 -1.618 19579 9633 1 15 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.744 0.220 19579 9634 1 15 . 1 1 42 42 ASN C C 42 174.677 174.677 176.978 -2.301 19579 9635 1 15 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.946 0.417 19579 9636 1 15 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.325 1.941 19579 9637 1 15 . 1 1 42 42 ASN H H 42 7.600 7.600 7.785 -0.185 19579 9638 1 15 . 1 1 43 43 ILE N N 43 116.952 116.952 117.776 -0.824 19579 9639 1 15 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.808 -0.137 19579 9640 1 15 . 1 1 43 43 ILE C C 43 176.773 176.773 176.851 -0.078 19579 9641 1 15 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.323 -0.096 19579 9642 1 15 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.273 0.137 19579 9643 1 15 . 1 1 43 43 ILE H H 43 7.336 7.336 8.662 -1.326 19579 9644 1 15 . 1 1 44 44 ALA N N 44 122.396 122.396 121.638 0.758 19579 9645 1 15 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.061 -0.025 19579 9646 1 15 . 1 1 44 44 ALA C C 44 180.304 180.304 178.503 1.801 19579 9647 1 15 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.552 0.836 19579 9648 1 15 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.010 -0.522 19579 9649 1 15 . 1 1 44 44 ALA H H 44 8.617 8.617 8.354 0.263 19579 9650 1 15 . 1 1 45 45 ALA N N 45 120.804 120.804 120.476 0.328 19579 9651 1 15 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.258 -0.205 19579 9652 1 15 . 1 1 45 45 ALA C C 45 180.591 180.591 179.562 1.029 19579 9653 1 15 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.022 0.730 19579 9654 1 15 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.259 -0.642 19579 9655 1 15 . 1 1 45 45 ALA H H 45 7.913 7.913 7.495 0.418 19579 9656 1 15 . 1 1 46 46 ILE N N 46 117.637 117.637 119.010 -1.373 19579 9657 1 15 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.875 -0.247 19579 9658 1 15 . 1 1 46 46 ILE C C 46 177.612 177.612 178.561 -0.949 19579 9659 1 15 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.421 -1.142 19579 9660 1 15 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.853 -0.193 19579 9661 1 15 . 1 1 46 46 ILE H H 46 7.313 7.313 7.599 -0.286 19579 9662 1 15 . 1 1 47 47 ALA N N 47 121.493 121.493 122.607 -1.114 19579 9663 1 15 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.170 -0.226 19579 9664 1 15 . 1 1 47 47 ALA C C 47 178.538 178.538 178.436 0.102 19579 9665 1 15 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.710 0.677 19579 9666 1 15 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.399 0.580 19579 9667 1 15 . 1 1 47 47 ALA H H 47 8.413 8.413 8.570 -0.157 19579 9668 1 15 . 1 1 48 48 SER N N 48 109.024 109.024 111.570 -2.546 19579 9669 1 15 . 1 1 48 48 SER HA H 48 4.352 4.352 4.615 -0.263 19579 9670 1 15 . 1 1 48 48 SER C C 48 176.056 176.056 174.831 1.225 19579 9671 1 15 . 1 1 48 48 SER CA C 48 59.977 59.977 58.359 1.618 19579 9672 1 15 . 1 1 48 48 SER CB C 48 63.838 63.838 63.961 -0.123 19579 9673 1 15 . 1 1 48 48 SER H H 48 8.030 8.030 7.671 0.359 19579 9674 1 15 . 1 1 49 49 GLY N N 49 108.121 108.121 107.620 0.501 19579 9675 1 15 . 1 1 49 49 GLY C C 49 174.820 174.820 174.649 0.171 19579 9676 1 15 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.404 -0.211 19579 9677 1 15 . 1 1 49 49 GLY H H 49 8.048 8.048 7.548 0.500 19579 9678 1 15 . 1 1 50 50 GLY N N 50 111.955 111.955 110.761 1.194 19579 9679 1 15 . 1 1 50 50 GLY C C 50 174.975 174.975 174.110 0.865 19579 9680 1 15 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.420 -0.239 19579 9681 1 15 . 1 1 50 50 GLY H H 50 8.409 8.409 7.889 0.520 19579 9682 1 15 . 1 1 51 51 ALA N N 51 126.247 126.247 123.691 2.556 19579 9683 1 15 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.273 -0.454 19579 9684 1 15 . 1 1 51 51 ALA C C 51 179.697 179.697 179.271 0.426 19579 9685 1 15 . 1 1 51 51 ALA CA C 51 55.060 55.060 53.482 1.578 19579 9686 1 15 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.741 -1.462 19579 9687 1 15 . 1 1 51 51 ALA H H 51 9.119 9.119 7.911 1.208 19579 9688 1 15 . 1 1 52 52 SER N N 52 111.975 111.975 114.725 -2.750 19579 9689 1 15 . 1 1 52 52 SER HA H 52 4.222 4.222 4.140 0.082 19579 9690 1 15 . 1 1 52 52 SER C C 52 174.983 174.983 175.030 -0.047 19579 9691 1 15 . 1 1 52 52 SER CA C 52 60.814 60.814 60.104 0.710 19579 9692 1 15 . 1 1 52 52 SER CB C 52 62.977 62.977 62.920 0.057 19579 9693 1 15 . 1 1 52 52 SER H H 52 8.231 8.231 8.603 -0.372 19579 9694 1 15 . 1 1 53 53 ALA N N 53 122.484 122.484 122.364 0.120 19579 9695 1 15 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.275 0.127 19579 9696 1 15 . 1 1 53 53 ALA C C 53 177.391 177.391 179.638 -2.247 19579 9697 1 15 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.378 -1.251 19579 9698 1 15 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.480 1.466 19579 9699 1 15 . 1 1 53 53 ALA H H 53 7.602 7.602 8.102 -0.500 19579 9700 1 15 . 1 1 54 54 LEU N N 54 117.414 117.414 120.519 -3.105 19579 9701 1 15 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.038 -0.159 19579 9702 1 15 . 1 1 54 54 LEU C C 54 174.434 174.434 176.193 -1.759 19579 9703 1 15 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.448 -0.133 19579 9704 1 15 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.554 0.066 19579 9705 1 15 . 1 1 54 54 LEU H H 54 7.408 7.408 7.459 -0.051 19579 9706 1 15 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.327 -0.136 19579 9707 1 15 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.009 1.925 19579 9708 1 15 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.241 -0.191 19579 9709 1 15 . 1 1 56 56 SER N N 56 113.559 113.559 111.723 1.836 19579 9710 1 15 . 1 1 56 56 SER HA H 56 4.234 4.234 4.612 -0.378 19579 9711 1 15 . 1 1 56 56 SER C C 56 176.552 176.552 174.341 2.211 19579 9712 1 15 . 1 1 56 56 SER CA C 56 61.233 61.233 58.423 2.810 19579 9713 1 15 . 1 1 56 56 SER CB C 56 62.733 62.733 63.566 -0.834 19579 9714 1 15 . 1 1 56 56 SER H H 56 7.834 7.834 7.515 0.319 19579 9715 1 15 . 1 1 57 57 VAL N N 57 123.292 123.292 118.801 4.491 19579 9716 1 15 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.378 -0.635 19579 9717 1 15 . 1 1 57 57 VAL C C 57 178.042 178.042 176.059 1.983 19579 9718 1 15 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.337 3.123 19579 9719 1 15 . 1 1 57 57 VAL CB C 57 31.768 31.768 34.139 -2.371 19579 9720 1 15 . 1 1 57 57 VAL H H 57 8.263 8.263 7.524 0.739 19579 9721 1 15 . 1 1 58 58 ILE N N 58 118.510 118.510 121.776 -3.266 19579 9722 1 15 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.652 0.032 19579 9723 1 15 . 1 1 58 58 ILE C C 58 176.221 176.221 177.696 -1.475 19579 9724 1 15 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.813 -1.731 19579 9725 1 15 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.989 -0.640 19579 9726 1 15 . 1 1 58 58 ILE H H 58 8.873 8.873 8.666 0.207 19579 9727 1 15 . 1 1 59 59 SER N N 59 114.238 114.238 113.903 0.335 19579 9728 1 15 . 1 1 59 59 SER HA H 59 4.305 4.305 4.334 -0.029 19579 9729 1 15 . 1 1 59 59 SER C C 59 177.534 177.534 176.837 0.697 19579 9730 1 15 . 1 1 59 59 SER CA C 59 61.586 61.586 61.054 0.532 19579 9731 1 15 . 1 1 59 59 SER CB C 59 62.951 62.951 62.997 -0.046 19579 9732 1 15 . 1 1 59 59 SER H H 59 7.388 7.388 8.663 -1.275 19579 9733 1 15 . 1 1 60 60 ASN N N 60 120.810 120.810 120.523 0.287 19579 9734 1 15 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.587 -0.227 19579 9735 1 15 . 1 1 60 60 ASN C C 60 178.616 178.616 177.760 0.856 19579 9736 1 15 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.911 0.804 19579 9737 1 15 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.329 0.667 19579 9738 1 15 . 1 1 60 60 ASN H H 60 8.147 8.147 7.530 0.617 19579 9739 1 15 . 1 1 61 61 ILE N N 61 121.116 121.116 121.372 -0.256 19579 9740 1 15 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.649 -0.128 19579 9741 1 15 . 1 1 61 61 ILE C C 61 176.972 176.972 177.814 -0.842 19579 9742 1 15 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.672 0.890 19579 9743 1 15 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.037 0.969 19579 9744 1 15 . 1 1 61 61 ILE H H 61 8.642 8.642 8.223 0.419 19579 9745 1 15 . 1 1 62 62 TYR N N 62 119.953 119.953 120.388 -0.435 19579 9746 1 15 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.981 -0.358 19579 9747 1 15 . 1 1 62 62 TYR C C 62 176.828 176.828 177.597 -0.769 19579 9748 1 15 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.816 1.268 19579 9749 1 15 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.525 0.450 19579 9750 1 15 . 1 1 62 62 TYR H H 62 9.192 9.192 8.627 0.565 19579 9751 1 15 . 1 1 63 63 SER N N 63 111.464 111.464 114.856 -3.392 19579 9752 1 15 . 1 1 63 63 SER HA H 63 4.035 4.035 4.194 -0.159 19579 9753 1 15 . 1 1 63 63 SER C C 63 177.325 177.325 177.153 0.172 19579 9754 1 15 . 1 1 63 63 SER CA C 63 62.027 62.027 61.633 0.394 19579 9755 1 15 . 1 1 63 63 SER CB C 63 62.565 62.565 62.663 -0.098 19579 9756 1 15 . 1 1 63 63 SER H H 63 8.320 8.320 7.939 0.381 19579 9757 1 15 . 1 1 64 64 GLY N N 64 110.383 110.383 109.070 1.313 19579 9758 1 15 . 1 1 64 64 GLY C C 64 175.581 175.581 175.554 0.027 19579 9759 1 15 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.794 0.520 19579 9760 1 15 . 1 1 64 64 GLY H H 64 7.724 7.724 7.837 -0.113 19579 9761 1 15 . 1 1 65 65 VAL N N 65 124.665 124.665 120.673 3.992 19579 9762 1 15 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.729 -0.485 19579 9763 1 15 . 1 1 65 65 VAL C C 65 180.072 180.072 177.803 2.269 19579 9764 1 15 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.370 1.634 19579 9765 1 15 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.546 0.163 19579 9766 1 15 . 1 1 65 65 VAL H H 65 8.584 8.584 7.470 1.114 19579 9767 1 15 . 1 1 66 66 VAL N N 66 120.803 120.803 119.141 1.662 19579 9768 1 15 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.633 0.090 19579 9769 1 15 . 1 1 66 66 VAL C C 66 179.829 179.829 178.485 1.344 19579 9770 1 15 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.637 0.578 19579 9771 1 15 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.045 0.710 19579 9772 1 15 . 1 1 66 66 VAL H H 66 8.305 8.305 7.854 0.451 19579 9773 1 15 . 1 1 67 67 ALA N N 67 123.266 123.266 121.450 1.816 19579 9774 1 15 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.219 -0.055 19579 9775 1 15 . 1 1 67 67 ALA C C 67 178.560 178.560 178.588 -0.028 19579 9776 1 15 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.218 0.206 19579 9777 1 15 . 1 1 67 67 ALA CB C 67 18.011 18.011 17.985 0.026 19579 9778 1 15 . 1 1 67 67 ALA H H 67 7.979 7.979 7.961 0.018 19579 9779 1 15 . 1 1 68 68 SER N N 68 112.669 112.669 114.269 -1.600 19579 9780 1 15 . 1 1 68 68 SER HA H 68 4.436 4.436 4.352 0.084 19579 9781 1 15 . 1 1 68 68 SER C C 68 174.555 174.555 175.311 -0.756 19579 9782 1 15 . 1 1 68 68 SER CA C 68 59.634 59.634 59.004 0.630 19579 9783 1 15 . 1 1 68 68 SER CB C 68 63.943 63.943 63.914 0.029 19579 9784 1 15 . 1 1 68 68 SER H H 68 7.674 7.674 7.486 0.188 19579 9785 1 15 . 1 1 69 69 GLY N N 69 109.146 109.146 109.489 -0.343 19579 9786 1 15 . 1 1 69 69 GLY C C 69 173.904 173.904 173.684 0.220 19579 9787 1 15 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.654 0.577 19579 9788 1 15 . 1 1 69 69 GLY H H 69 7.939 7.939 7.523 0.416 19579 9789 1 15 . 1 1 70 70 VAL N N 70 119.926 119.926 119.331 0.595 19579 9790 1 15 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.392 -0.482 19579 9791 1 15 . 1 1 70 70 VAL C C 70 174.997 174.997 175.403 -0.406 19579 9792 1 15 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.366 1.918 19579 9793 1 15 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.944 -1.520 19579 9794 1 15 . 1 1 70 70 VAL H H 70 6.723 6.723 7.405 -0.682 19579 9795 1 15 . 1 1 71 71 SER N N 71 120.581 120.581 118.937 1.644 19579 9796 1 15 . 1 1 71 71 SER HA H 71 4.386 4.386 4.525 -0.139 19579 9797 1 15 . 1 1 71 71 SER C C 71 175.559 175.559 175.250 0.309 19579 9798 1 15 . 1 1 71 71 SER CA C 71 58.441 58.441 56.985 1.456 19579 9799 1 15 . 1 1 71 71 SER CB C 71 64.632 64.632 64.194 0.438 19579 9800 1 15 . 1 1 71 71 SER H H 71 8.577 8.577 8.295 0.282 19579 9801 1 15 . 1 1 72 72 SER N N 72 117.898 117.898 118.558 -0.660 19579 9802 1 15 . 1 1 72 72 SER HA H 72 4.083 4.083 4.047 0.036 19579 9803 1 15 . 1 1 72 72 SER C C 72 176.255 176.255 176.218 0.037 19579 9804 1 15 . 1 1 72 72 SER CA C 72 61.586 61.586 62.016 -0.430 19579 9805 1 15 . 1 1 72 72 SER CB C 72 62.622 62.622 63.122 -0.500 19579 9806 1 15 . 1 1 72 72 SER H H 72 8.889 8.889 8.698 0.191 19579 9807 1 15 . 1 1 73 73 ASN N N 73 118.976 118.976 119.107 -0.131 19579 9808 1 15 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.362 0.295 19579 9809 1 15 . 1 1 73 73 ASN C C 73 176.506 176.506 177.283 -0.777 19579 9810 1 15 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.674 0.387 19579 9811 1 15 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.447 -0.447 19579 9812 1 15 . 1 1 73 73 ASN H H 73 8.519 8.519 8.437 0.082 19579 9813 1 15 . 1 1 74 74 GLU N N 74 118.543 118.543 119.200 -0.657 19579 9814 1 15 . 1 1 74 74 GLU HA H 74 4.110 4.110 3.982 0.128 19579 9815 1 15 . 1 1 74 74 GLU C C 74 176.994 176.994 177.992 -0.998 19579 9816 1 15 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.204 -0.178 19579 9817 1 15 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.353 2.010 19579 9818 1 15 . 1 1 74 74 GLU H H 74 7.768 7.768 7.644 0.124 19579 9819 1 15 . 1 1 75 75 ALA N N 75 121.901 121.901 124.440 -2.539 19579 9820 1 15 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.851 -0.161 19579 9821 1 15 . 1 1 75 75 ALA C C 75 178.318 178.318 178.816 -0.498 19579 9822 1 15 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.446 -0.218 19579 9823 1 15 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.200 0.441 19579 9824 1 15 . 1 1 75 75 ALA H H 75 8.069 8.069 8.305 -0.236 19579 9825 1 15 . 1 1 76 76 LEU N N 76 117.360 117.360 119.903 -2.543 19579 9826 1 15 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.140 -0.030 19579 9827 1 15 . 1 1 76 76 LEU C C 76 177.854 177.854 178.719 -0.865 19579 9828 1 15 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.855 0.159 19579 9829 1 15 . 1 1 76 76 LEU CB C 76 40.768 40.768 41.963 -1.195 19579 9830 1 15 . 1 1 76 76 LEU H H 76 8.121 8.121 7.694 0.427 19579 9831 1 15 . 1 1 77 77 ILE N N 77 116.714 116.714 118.800 -2.086 19579 9832 1 15 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.616 -0.164 19579 9833 1 15 . 1 1 77 77 ILE C C 77 176.883 176.883 178.053 -1.170 19579 9834 1 15 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.844 -0.586 19579 9835 1 15 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.796 -0.054 19579 9836 1 15 . 1 1 77 77 ILE H H 77 7.607 7.607 7.453 0.154 19579 9837 1 15 . 1 1 78 78 GLN N N 78 119.338 119.338 119.881 -0.543 19579 9838 1 15 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.882 -0.250 19579 9839 1 15 . 1 1 78 78 GLN C C 78 177.521 177.521 178.068 -0.547 19579 9840 1 15 . 1 1 78 78 GLN CA C 78 60.320 60.320 58.987 1.333 19579 9841 1 15 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.037 0.138 19579 9842 1 15 . 1 1 78 78 GLN H H 78 8.119 8.119 8.550 -0.431 19579 9843 1 15 . 1 1 79 79 ALA N N 79 119.218 119.218 121.839 -2.621 19579 9844 1 15 . 1 1 79 79 ALA HA H 79 3.872 3.872 3.998 -0.126 19579 9845 1 15 . 1 1 79 79 ALA C C 79 179.311 179.311 179.699 -0.388 19579 9846 1 15 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.157 -0.332 19579 9847 1 15 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.409 -0.590 19579 9848 1 15 . 1 1 79 79 ALA H H 79 8.639 8.639 7.752 0.887 19579 9849 1 15 . 1 1 80 80 LEU N N 80 116.262 116.262 119.410 -3.148 19579 9850 1 15 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.031 -0.132 19579 9851 1 15 . 1 1 80 80 LEU C C 80 178.914 178.914 179.228 -0.314 19579 9852 1 15 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.568 0.443 19579 9853 1 15 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.134 0.481 19579 9854 1 15 . 1 1 80 80 LEU H H 80 8.450 8.450 7.845 0.605 19579 9855 1 15 . 1 1 81 81 LEU N N 81 118.995 118.995 119.263 -0.268 19579 9856 1 15 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.893 0.079 19579 9857 1 15 . 1 1 81 81 LEU C C 81 180.127 180.127 178.860 1.267 19579 9858 1 15 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.096 -0.113 19579 9859 1 15 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.332 1.211 19579 9860 1 15 . 1 1 81 81 LEU H H 81 8.151 8.151 8.379 -0.228 19579 9861 1 15 . 1 1 82 82 GLU N N 82 124.890 124.890 118.075 6.815 19579 9862 1 15 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.061 -0.428 19579 9863 1 15 . 1 1 82 82 GLU C C 82 178.505 178.505 179.367 -0.862 19579 9864 1 15 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.139 2.162 19579 9865 1 15 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.813 -0.034 19579 9866 1 15 . 1 1 82 82 GLU H H 82 8.659 8.659 7.842 0.817 19579 9867 1 15 . 1 1 83 83 LEU N N 83 121.487 121.487 121.290 0.197 19579 9868 1 15 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.151 -0.331 19579 9869 1 15 . 1 1 83 83 LEU C C 83 178.163 178.163 178.859 -0.696 19579 9870 1 15 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.951 0.204 19579 9871 1 15 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.461 0.173 19579 9872 1 15 . 1 1 83 83 LEU H H 83 8.658 8.658 8.367 0.291 19579 9873 1 15 . 1 1 84 84 LEU N N 84 118.904 118.904 117.218 1.686 19579 9874 1 15 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.258 -0.472 19579 9875 1 15 . 1 1 84 84 LEU C C 84 178.064 178.064 178.030 0.034 19579 9876 1 15 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.430 2.233 19579 9877 1 15 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.570 1.635 19579 9878 1 15 . 1 1 84 84 LEU H H 84 8.803 8.803 8.146 0.657 19579 9879 1 15 . 1 1 85 85 SER N N 85 114.347 114.347 115.198 -0.851 19579 9880 1 15 . 1 1 85 85 SER HA H 85 4.211 4.211 4.510 -0.299 19579 9881 1 15 . 1 1 85 85 SER C C 85 174.633 174.633 175.539 -0.906 19579 9882 1 15 . 1 1 85 85 SER CA C 85 62.957 62.957 59.786 3.171 19579 9883 1 15 . 1 1 85 85 SER CB C 85 62.947 62.947 64.110 -1.163 19579 9884 1 15 . 1 1 85 85 SER H H 85 7.879 7.879 7.438 0.441 19579 9885 1 15 . 1 1 86 86 ALA N N 86 124.206 124.206 125.707 -1.501 19579 9886 1 15 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.045 -0.275 19579 9887 1 15 . 1 1 86 86 ALA C C 86 178.538 178.538 179.144 -0.606 19579 9888 1 15 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.583 -0.217 19579 9889 1 15 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.417 -1.073 19579 9890 1 15 . 1 1 86 86 ALA H H 86 8.199 8.199 8.274 -0.075 19579 9891 1 15 . 1 1 87 87 LEU N N 87 116.463 116.463 115.994 0.469 19579 9892 1 15 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.138 -0.317 19579 9893 1 15 . 1 1 87 87 LEU C C 87 178.709 178.709 178.538 0.171 19579 9894 1 15 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.753 0.601 19579 9895 1 15 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.353 2.241 19579 9896 1 15 . 1 1 87 87 LEU H H 87 8.140 8.140 7.437 0.703 19579 9897 1 15 . 1 1 88 88 VAL N N 88 118.854 118.854 120.855 -2.001 19579 9898 1 15 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.594 -0.191 19579 9899 1 15 . 1 1 88 88 VAL C C 88 177.766 177.766 178.041 -0.275 19579 9900 1 15 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.802 -0.137 19579 9901 1 15 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.476 -0.029 19579 9902 1 15 . 1 1 88 88 VAL H H 88 8.716 8.716 7.438 1.278 19579 9903 1 15 . 1 1 89 89 HIS N N 89 121.227 121.227 119.172 2.055 19579 9904 1 15 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.286 -0.247 19579 9905 1 15 . 1 1 89 89 HIS C C 89 178.880 178.880 177.441 1.439 19579 9906 1 15 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.012 1.310 19579 9907 1 15 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.268 1.480 19579 9908 1 15 . 1 1 89 89 HIS H H 89 8.664 8.664 7.908 0.756 19579 9909 1 15 . 1 1 90 90 VAL N N 90 118.094 118.094 115.858 2.236 19579 9910 1 15 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.870 -0.303 19579 9911 1 15 . 1 1 90 90 VAL C C 90 177.733 177.733 177.375 0.358 19579 9912 1 15 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.402 1.428 19579 9913 1 15 . 1 1 90 90 VAL CB C 90 31.600 31.600 32.006 -0.406 19579 9914 1 15 . 1 1 90 90 VAL H H 90 7.994 7.994 7.440 0.554 19579 9915 1 15 . 1 1 91 91 LEU N N 91 119.672 119.672 121.085 -1.413 19579 9916 1 15 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.030 -0.198 19579 9917 1 15 . 1 1 91 91 LEU C C 91 178.869 178.869 179.098 -0.229 19579 9918 1 15 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.633 0.125 19579 9919 1 15 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.117 1.822 19579 9920 1 15 . 1 1 91 91 LEU H H 91 8.393 8.393 8.448 -0.055 19579 9921 1 15 . 1 1 92 92 SER N N 92 113.554 113.554 113.621 -0.067 19579 9922 1 15 . 1 1 92 92 SER HA H 92 4.297 4.297 4.185 0.112 19579 9923 1 15 . 1 1 92 92 SER C C 92 174.500 174.500 175.888 -1.388 19579 9924 1 15 . 1 1 92 92 SER CA C 92 61.410 61.410 61.345 0.065 19579 9925 1 15 . 1 1 92 92 SER CB C 92 63.254 63.254 63.010 0.244 19579 9926 1 15 . 1 1 92 92 SER H H 92 7.900 7.900 7.721 0.179 19579 9927 1 15 . 1 1 93 93 SER N N 93 115.055 115.055 115.066 -0.011 19579 9928 1 15 . 1 1 93 93 SER HA H 93 4.704 4.704 4.548 0.156 19579 9929 1 15 . 1 1 93 93 SER C C 93 173.044 173.044 174.801 -1.757 19579 9930 1 15 . 1 1 93 93 SER CA C 93 57.967 57.967 59.162 -1.195 19579 9931 1 15 . 1 1 93 93 SER CB C 93 64.574 64.574 64.524 0.050 19579 9932 1 15 . 1 1 93 93 SER H H 93 7.420 7.420 7.568 -0.148 19579 9933 1 15 . 1 1 94 94 ALA N N 94 124.504 124.504 124.700 -0.196 19579 9934 1 15 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.286 0.343 19579 9935 1 15 . 1 1 94 94 ALA C C 94 176.199 176.199 177.411 -1.212 19579 9936 1 15 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.281 -1.812 19579 9937 1 15 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.150 2.470 19579 9938 1 15 . 1 1 94 94 ALA H H 94 7.476 7.476 7.562 -0.086 19579 9939 1 15 . 1 1 95 95 SER N N 95 115.739 115.739 113.488 2.251 19579 9940 1 15 . 1 1 95 95 SER HA H 95 4.758 4.758 4.063 0.695 19579 9941 1 15 . 1 1 95 95 SER C C 95 174.136 174.136 174.395 -0.259 19579 9942 1 15 . 1 1 95 95 SER CA C 95 57.343 57.343 58.843 -1.500 19579 9943 1 15 . 1 1 95 95 SER CB C 95 63.303 63.303 60.244 3.059 19579 9944 1 15 . 1 1 95 95 SER H H 95 8.483 8.483 7.751 0.732 19579 9945 1 15 . 1 1 96 96 ILE N N 96 128.288 128.288 121.863 6.425 19579 9946 1 15 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.098 -0.105 19579 9947 1 15 . 1 1 96 96 ILE C C 96 175.868 175.868 177.043 -1.175 19579 9948 1 15 . 1 1 96 96 ILE CA C 96 61.362 61.362 61.833 -0.471 19579 9949 1 15 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.974 -0.361 19579 9950 1 15 . 1 1 96 96 ILE H H 96 8.869 8.869 8.368 0.501 19579 9951 1 15 . 1 1 97 97 GLY N N 97 115.495 115.495 114.700 0.795 19579 9952 1 15 . 1 1 97 97 GLY C C 97 173.022 173.022 173.265 -0.243 19579 9953 1 15 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.439 0.431 19579 9954 1 15 . 1 1 97 97 GLY H H 97 8.272 8.272 8.445 -0.173 19579 9955 1 15 . 1 1 98 98 ASN N N 98 120.819 120.819 119.365 1.454 19579 9956 1 15 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.752 -0.104 19579 9957 1 15 . 1 1 98 98 ASN C C 98 174.809 174.809 174.914 -0.105 19579 9958 1 15 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.676 0.750 19579 9959 1 15 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.061 -0.396 19579 9960 1 15 . 1 1 98 98 ASN H H 98 8.420 8.420 8.363 0.057 19579 9961 1 15 . 1 1 99 99 VAL N N 99 122.960 122.960 125.125 -2.165 19579 9962 1 15 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.108 0.066 19579 9963 1 15 . 1 1 99 99 VAL C C 99 174.500 174.500 176.239 -1.739 19579 9964 1 15 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.434 -1.066 19579 9965 1 15 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.318 1.088 19579 9966 1 15 . 1 1 99 99 VAL H H 99 8.292 8.292 8.246 0.046 19579 9967 1 15 . 1 1 100 100 SER N N 100 120.723 120.723 121.096 -0.373 19579 9968 1 15 . 1 1 100 100 SER HA H 100 4.756 4.756 4.626 0.130 19579 9969 1 15 . 1 1 100 100 SER C C 100 174.235 174.235 174.825 -0.590 19579 9970 1 15 . 1 1 100 100 SER CA C 100 56.687 56.687 58.090 -1.403 19579 9971 1 15 . 1 1 100 100 SER CB C 100 64.904 64.904 63.989 0.915 19579 9972 1 15 . 1 1 100 100 SER H H 100 8.644 8.644 8.437 0.207 19579 9973 1 15 . 1 1 101 101 SER N N 101 117.236 117.236 116.582 0.654 19579 9974 1 15 . 1 1 101 101 SER HA H 101 4.130 4.130 4.434 -0.304 19579 9975 1 15 . 1 1 101 101 SER CA C 101 59.000 59.000 58.531 0.469 19579 9976 1 15 . 1 1 101 101 SER CB C 101 63.104 63.104 63.503 -0.399 19579 9977 1 15 . 1 1 102 102 VAL N N 102 124.874 124.874 121.610 3.264 19579 9978 1 15 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.094 -0.273 19579 9979 1 15 . 1 1 102 102 VAL C C 102 177.545 177.545 176.076 1.469 19579 9980 1 15 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.182 2.400 19579 9981 1 15 . 1 1 102 102 VAL CB C 102 31.480 31.480 31.724 -0.243 19579 9982 1 15 . 1 1 102 102 VAL H H 102 8.090 8.090 7.462 0.628 19579 9983 1 15 . 1 1 103 103 GLY N N 103 114.589 114.589 115.240 -0.651 19579 9984 1 15 . 1 1 103 103 GLY C C 103 176.387 176.387 175.388 0.999 19579 9985 1 15 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.898 0.788 19579 9986 1 15 . 1 1 103 103 GLY H H 103 9.051 9.051 8.715 0.336 19579 9987 1 15 . 1 1 104 104 VAL N N 104 121.976 121.976 120.479 1.497 19579 9988 1 15 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.738 -0.390 19579 9989 1 15 . 1 1 104 104 VAL C C 104 176.045 176.045 176.680 -0.635 19579 9990 1 15 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.724 1.165 19579 9991 1 15 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.154 0.111 19579 9992 1 15 . 1 1 104 104 VAL H H 104 7.753 7.753 7.935 -0.182 19579 9993 1 15 . 1 1 105 105 ASP N N 105 117.868 117.868 118.916 -1.048 19579 9994 1 15 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.347 -0.196 19579 9995 1 15 . 1 1 105 105 ASP C C 105 178.406 178.406 177.224 1.182 19579 9996 1 15 . 1 1 105 105 ASP CA C 105 56.710 56.710 56.874 -0.164 19579 9997 1 15 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.623 -1.971 19579 9998 1 15 . 1 1 105 105 ASP H H 105 8.719 8.719 8.221 0.498 19579 9999 1 15 . 1 1 106 106 SER N N 106 117.500 117.500 113.118 4.382 19579 10000 1 15 . 1 1 106 106 SER HA H 106 4.306 4.306 4.744 -0.438 19579 10001 1 15 . 1 1 106 106 SER C C 106 176.784 176.784 176.574 0.210 19579 10002 1 15 . 1 1 106 106 SER CA C 106 61.523 61.523 59.961 1.562 19579 10003 1 15 . 1 1 106 106 SER CB C 106 62.480 62.480 64.206 -1.726 19579 10004 1 15 . 1 1 106 106 SER H H 106 7.685 7.685 7.538 0.147 19579 10005 1 15 . 1 1 107 107 THR N N 107 121.741 121.741 120.942 0.799 19579 10006 1 15 . 1 1 107 107 THR HA H 107 4.373 4.373 4.061 0.312 19579 10007 1 15 . 1 1 107 107 THR C C 107 176.227 176.227 176.270 -0.043 19579 10008 1 15 . 1 1 107 107 THR CA C 107 66.648 66.648 66.275 0.373 19579 10009 1 15 . 1 1 107 107 THR CB C 107 66.884 66.884 68.865 -1.981 19579 10010 1 15 . 1 1 107 107 THR H H 107 8.024 8.024 7.530 0.494 19579 10011 1 15 . 1 1 108 108 LEU N N 108 122.175 122.175 119.824 2.351 19579 10012 1 15 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.007 -0.091 19579 10013 1 15 . 1 1 108 108 LEU C C 108 178.560 178.560 177.946 0.614 19579 10014 1 15 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.015 2.154 19579 10015 1 15 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.282 -0.253 19579 10016 1 15 . 1 1 108 108 LEU H H 108 8.475 8.475 8.339 0.136 19579 10017 1 15 . 1 1 109 109 ASN N N 109 116.499 116.499 117.594 -1.095 19579 10018 1 15 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.959 -0.473 19579 10019 1 15 . 1 1 109 109 ASN C C 109 177.181 177.181 177.494 -0.313 19579 10020 1 15 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.266 1.233 19579 10021 1 15 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.706 0.279 19579 10022 1 15 . 1 1 109 109 ASN H H 109 7.567 7.567 7.467 0.100 19579 10023 1 15 . 1 1 110 110 VAL N N 110 121.382 121.382 120.669 0.713 19579 10024 1 15 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.838 0.039 19579 10025 1 15 . 1 1 110 110 VAL C C 110 180.116 180.116 176.924 3.192 19579 10026 1 15 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.210 1.026 19579 10027 1 15 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.524 0.036 19579 10028 1 15 . 1 1 110 110 VAL H H 110 7.978 7.978 7.500 0.478 19579 10029 1 15 . 1 1 111 111 VAL N N 111 123.748 123.748 120.649 3.099 19579 10030 1 15 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.605 -0.247 19579 10031 1 15 . 1 1 111 111 VAL C C 111 177.424 177.424 177.001 0.423 19579 10032 1 15 . 1 1 111 111 VAL CA C 111 68.182 68.182 66.179 2.003 19579 10033 1 15 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.637 -0.531 19579 10034 1 15 . 1 1 111 111 VAL H H 111 8.228 8.228 7.439 0.789 19579 10035 1 15 . 1 1 112 112 GLN N N 112 120.331 120.331 118.698 1.633 19579 10036 1 15 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.926 -0.328 19579 10037 1 15 . 1 1 112 112 GLN C C 112 178.329 178.329 178.534 -0.205 19579 10038 1 15 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.295 1.014 19579 10039 1 15 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.328 1.813 19579 10040 1 15 . 1 1 112 112 GLN H H 112 8.719 8.719 7.891 0.828 19579 10041 1 15 . 1 1 113 113 ASP N N 113 117.931 117.931 117.850 0.081 19579 10042 1 15 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.484 -0.134 19579 10043 1 15 . 1 1 113 113 ASP C C 113 178.406 178.406 177.271 1.135 19579 10044 1 15 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.423 0.606 19579 10045 1 15 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.891 0.404 19579 10046 1 15 . 1 1 113 113 ASP H H 113 8.410 8.410 7.798 0.612 19579 10047 1 15 . 1 1 114 114 SER N N 114 113.798 113.798 114.764 -0.966 19579 10048 1 15 . 1 1 114 114 SER HA H 114 4.310 4.310 4.420 -0.110 19579 10049 1 15 . 1 1 114 114 SER C C 114 175.416 175.416 175.579 -0.163 19579 10050 1 15 . 1 1 114 114 SER CA C 114 61.981 61.981 60.753 1.228 19579 10051 1 15 . 1 1 114 114 SER CB C 114 63.618 63.618 63.758 -0.140 19579 10052 1 15 . 1 1 114 114 SER H H 114 7.973 7.973 7.294 0.679 19579 10053 1 15 . 1 1 115 115 VAL N N 115 115.306 115.306 120.332 -5.026 19579 10054 1 15 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.439 -0.232 19579 10055 1 15 . 1 1 115 115 VAL C C 115 177.325 177.325 177.044 0.281 19579 10056 1 15 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.578 1.686 19579 10057 1 15 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.164 0.203 19579 10058 1 15 . 1 1 115 115 VAL H H 115 8.090 8.090 8.129 -0.039 19579 10059 1 15 . 1 1 116 116 GLY N N 116 107.952 107.952 109.525 -1.573 19579 10060 1 15 . 1 1 116 116 GLY C C 116 175.129 175.129 174.883 0.246 19579 10061 1 15 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.632 0.198 19579 10062 1 15 . 1 1 116 116 GLY H H 116 7.991 7.991 7.890 0.101 19579 10063 1 15 . 1 1 117 117 GLN N N 117 116.191 116.191 118.076 -1.885 19579 10064 1 15 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.951 0.102 19579 10065 1 15 . 1 1 117 117 GLN C C 117 176.056 176.056 176.162 -0.106 19579 10066 1 15 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.373 -0.317 19579 10067 1 15 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.561 0.931 19579 10068 1 15 . 1 1 117 117 GLN H H 117 7.721 7.721 8.118 -0.397 19579 10069 1 15 . 1 1 118 118 TYR N N 118 116.504 116.504 118.789 -2.285 19579 10070 1 15 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.437 -0.211 19579 10071 1 15 . 1 1 118 118 TYR C C 118 174.919 174.919 177.626 -2.707 19579 10072 1 15 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.529 -0.878 19579 10073 1 15 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.831 -0.840 19579 10074 1 15 . 1 1 118 118 TYR H H 118 7.685 7.685 7.779 -0.094 19579 10075 1 15 . 1 1 119 119 VAL N N 119 115.145 115.145 117.120 -1.975 19579 10076 1 15 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.050 0.144 19579 10077 1 15 . 1 1 119 119 VAL C C 119 174.666 174.666 177.363 -2.697 19579 10078 1 15 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.566 -1.604 19579 10079 1 15 . 1 1 119 119 VAL CB C 119 32.617 32.617 32.007 0.610 19579 10080 1 15 . 1 1 119 119 VAL H H 119 7.132 7.132 7.723 -0.591 19579 10081 1 16 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.159 -0.283 19579 10082 1 16 . 1 1 -2 -2 ASN N N -2 118.808 118.808 121.711 -2.903 19579 10083 1 16 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.168 1.016 19579 10084 1 16 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.672 -0.273 19579 10085 1 16 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.320 -0.013 19579 10086 1 16 . 1 1 2 2 THR N N 2 116.876 116.876 125.087 -8.211 19579 10087 1 16 . 1 1 2 2 THR HA H 2 4.348 4.348 4.378 -0.030 19579 10088 1 16 . 1 1 2 2 THR C C 2 174.600 174.600 173.650 0.950 19579 10089 1 16 . 1 1 2 2 THR CA C 2 61.785 61.785 63.789 -2.004 19579 10090 1 16 . 1 1 2 2 THR CB C 2 69.800 69.800 68.941 0.859 19579 10091 1 16 . 1 1 2 2 THR H H 2 8.176 8.176 8.573 -0.397 19579 10092 1 16 . 1 1 3 3 SER N N 3 117.968 117.968 121.525 -3.557 19579 10093 1 16 . 1 1 3 3 SER C C 3 174.732 174.732 173.254 1.478 19579 10094 1 16 . 1 1 3 3 SER CA C 3 58.585 58.585 57.929 0.656 19579 10095 1 16 . 1 1 3 3 SER H H 3 8.248 8.248 8.049 0.199 19579 10096 1 16 . 1 1 5 5 GLY N N 5 108.381 108.381 107.221 1.160 19579 10097 1 16 . 1 1 5 5 GLY C C 5 173.728 173.728 172.813 0.915 19579 10098 1 16 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.023 0.192 19579 10099 1 16 . 1 1 5 5 GLY H H 5 8.134 8.134 8.263 -0.129 19579 10100 1 16 . 1 1 6 6 TYR N N 6 120.011 120.011 120.386 -0.375 19579 10101 1 16 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.613 -0.149 19579 10102 1 16 . 1 1 6 6 TYR C C 6 176.232 176.232 175.082 1.150 19579 10103 1 16 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.666 0.508 19579 10104 1 16 . 1 1 6 6 TYR CB C 6 38.764 38.764 40.212 -1.448 19579 10105 1 16 . 1 1 6 6 TYR H H 6 8.096 8.096 8.152 -0.056 19579 10106 1 16 . 1 1 7 7 GLY N N 7 110.530 110.530 111.680 -1.150 19579 10107 1 16 . 1 1 7 7 GLY C C 7 173.772 173.772 173.060 0.712 19579 10108 1 16 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.984 0.238 19579 10109 1 16 . 1 1 7 7 GLY H H 7 8.283 8.283 8.079 0.204 19579 10110 1 16 . 1 1 8 8 TYR N N 8 120.132 120.132 119.989 0.143 19579 10111 1 16 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.708 -0.225 19579 10112 1 16 . 1 1 8 8 TYR C C 8 176.420 176.420 176.258 0.162 19579 10113 1 16 . 1 1 8 8 TYR CA C 8 58.334 58.334 58.193 0.141 19579 10114 1 16 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.320 -1.575 19579 10115 1 16 . 1 1 8 8 TYR H H 8 7.987 7.987 8.409 -0.422 19579 10116 1 16 . 1 1 9 9 GLY N N 9 110.831 110.831 110.371 0.460 19579 10117 1 16 . 1 1 9 9 GLY C C 9 174.335 174.335 173.989 0.346 19579 10118 1 16 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.864 0.585 19579 10119 1 16 . 1 1 9 9 GLY H H 9 8.400 8.400 8.625 -0.225 19579 10120 1 16 . 1 1 10 10 THR N N 10 113.216 113.216 114.738 -1.522 19579 10121 1 16 . 1 1 10 10 THR HA H 10 4.366 4.366 4.845 -0.479 19579 10122 1 16 . 1 1 10 10 THR C C 10 174.721 174.721 174.024 0.697 19579 10123 1 16 . 1 1 10 10 THR CA C 10 61.829 61.829 61.862 -0.033 19579 10124 1 16 . 1 1 10 10 THR CB C 10 69.881 69.881 68.598 1.283 19579 10125 1 16 . 1 1 10 10 THR H H 10 8.012 8.012 7.956 0.056 19579 10126 1 16 . 1 1 11 11 SER N N 11 117.904 117.904 120.077 -2.173 19579 10127 1 16 . 1 1 11 11 SER HA H 11 4.414 4.414 4.611 -0.197 19579 10128 1 16 . 1 1 11 11 SER C C 11 174.335 174.335 173.303 1.032 19579 10129 1 16 . 1 1 11 11 SER CA C 11 58.363 58.363 57.796 0.567 19579 10130 1 16 . 1 1 11 11 SER CB C 11 63.911 63.911 65.274 -1.363 19579 10131 1 16 . 1 1 11 11 SER H H 11 8.342 8.342 8.168 0.174 19579 10132 1 16 . 1 1 12 12 ALA N N 12 126.003 126.003 124.664 1.339 19579 10133 1 16 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.711 -0.473 19579 10134 1 16 . 1 1 12 12 ALA C C 12 177.468 177.468 176.826 0.642 19579 10135 1 16 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.493 1.279 19579 10136 1 16 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.778 -0.690 19579 10137 1 16 . 1 1 12 12 ALA H H 12 8.274 8.274 8.489 -0.215 19579 10138 1 16 . 1 1 13 13 ALA N N 13 122.954 122.954 123.296 -0.342 19579 10139 1 16 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.761 -0.536 19579 10140 1 16 . 1 1 13 13 ALA C C 13 178.207 178.207 176.386 1.821 19579 10141 1 16 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.634 0.945 19579 10142 1 16 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.171 -0.880 19579 10143 1 16 . 1 1 13 13 ALA H H 13 8.121 8.121 8.606 -0.485 19579 10144 1 16 . 1 1 14 14 ALA N N 14 123.733 123.733 119.768 3.965 19579 10145 1 16 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.499 -0.242 19579 10146 1 16 . 1 1 14 14 ALA C C 14 178.227 178.227 175.955 2.272 19579 10147 1 16 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.771 0.978 19579 10148 1 16 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.568 -1.292 19579 10149 1 16 . 1 1 14 14 ALA H H 14 8.262 8.262 8.280 -0.018 19579 10150 1 16 . 1 1 15 15 GLY N N 15 108.014 108.014 106.371 1.643 19579 10151 1 16 . 1 1 15 15 GLY C C 15 173.849 173.849 172.514 1.335 19579 10152 1 16 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.536 -0.225 19579 10153 1 16 . 1 1 15 15 GLY H H 15 8.239 8.239 8.170 0.069 19579 10154 1 16 . 1 1 16 16 ALA N N 16 123.529 123.529 121.908 1.621 19579 10155 1 16 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.700 -0.402 19579 10156 1 16 . 1 1 16 16 ALA C C 16 178.108 178.108 177.457 0.651 19579 10157 1 16 . 1 1 16 16 ALA CA C 16 52.711 52.711 50.950 1.762 19579 10158 1 16 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.926 -1.610 19579 10159 1 16 . 1 1 16 16 ALA H H 16 8.102 8.102 8.572 -0.470 19579 10160 1 16 . 1 1 17 17 GLY N N 17 108.099 108.099 107.509 0.590 19579 10161 1 16 . 1 1 17 17 GLY C C 17 174.081 174.081 174.869 -0.788 19579 10162 1 16 . 1 1 17 17 GLY CA C 17 45.235 45.235 44.875 0.360 19579 10163 1 16 . 1 1 17 17 GLY H H 17 8.356 8.356 8.741 -0.385 19579 10164 1 16 . 1 1 18 18 VAL N N 18 119.220 119.220 121.853 -2.633 19579 10165 1 16 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.099 -0.032 19579 10166 1 16 . 1 1 18 18 VAL C C 18 175.946 175.946 176.322 -0.376 19579 10167 1 16 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.730 0.553 19579 10168 1 16 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.137 0.627 19579 10169 1 16 . 1 1 18 18 VAL H H 18 7.899 7.899 7.462 0.437 19579 10170 1 16 . 1 1 19 19 ALA N N 19 127.804 127.804 120.634 7.170 19579 10171 1 16 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.249 1.038 19579 10172 1 16 . 1 1 19 19 ALA C C 19 177.303 177.303 175.471 1.832 19579 10173 1 16 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.172 -0.712 19579 10174 1 16 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.224 2.075 19579 10175 1 16 . 1 1 19 19 ALA H H 19 8.377 8.377 8.397 -0.020 19579 10176 1 16 . 1 1 20 20 ALA N N 20 123.602 123.602 120.668 2.934 19579 10177 1 16 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.534 -0.255 19579 10178 1 16 . 1 1 20 20 ALA C C 20 178.086 178.086 177.567 0.519 19579 10179 1 16 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.940 1.812 19579 10180 1 16 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.887 -1.572 19579 10181 1 16 . 1 1 20 20 ALA H H 20 8.261 8.261 7.714 0.547 19579 10182 1 16 . 1 1 21 21 GLY N N 21 108.033 108.033 113.654 -5.621 19579 10183 1 16 . 1 1 21 21 GLY C C 21 174.213 174.213 175.215 -1.002 19579 10184 1 16 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.618 -1.327 19579 10185 1 16 . 1 1 21 21 GLY H H 21 8.323 8.323 8.926 -0.603 19579 10186 1 16 . 1 1 22 22 SER N N 22 115.596 115.596 120.361 -4.765 19579 10187 1 16 . 1 1 22 22 SER HA H 22 4.369 4.369 4.694 -0.325 19579 10188 1 16 . 1 1 22 22 SER C C 22 175.328 175.328 173.149 2.179 19579 10189 1 16 . 1 1 22 22 SER CA C 22 58.686 58.686 58.007 0.680 19579 10190 1 16 . 1 1 22 22 SER CB C 22 63.915 63.915 63.741 0.174 19579 10191 1 16 . 1 1 22 22 SER H H 22 8.118 8.118 8.254 -0.136 19579 10192 1 16 . 1 1 23 23 TYR N N 23 121.490 121.490 119.285 2.205 19579 10193 1 16 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.120 -0.351 19579 10194 1 16 . 1 1 23 23 TYR C C 23 175.890 175.890 175.009 0.881 19579 10195 1 16 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.319 1.405 19579 10196 1 16 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.385 -1.522 19579 10197 1 16 . 1 1 23 23 TYR H H 23 8.620 8.620 7.582 1.038 19579 10198 1 16 . 1 1 24 24 ALA N N 24 121.940 121.940 127.299 -5.359 19579 10199 1 16 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.728 -0.847 19579 10200 1 16 . 1 1 24 24 ALA C C 24 179.366 179.366 177.580 1.786 19579 10201 1 16 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.963 3.430 19579 10202 1 16 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.866 -1.326 19579 10203 1 16 . 1 1 24 24 ALA H H 24 8.127 8.127 8.814 -0.687 19579 10204 1 16 . 1 1 25 25 GLY N N 25 106.527 106.527 108.548 -2.021 19579 10205 1 16 . 1 1 25 25 GLY C C 25 175.074 175.074 175.445 -0.371 19579 10206 1 16 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.926 0.271 19579 10207 1 16 . 1 1 25 25 GLY H H 25 8.647 8.647 8.180 0.467 19579 10208 1 16 . 1 1 26 26 ALA N N 26 122.752 122.752 124.272 -1.520 19579 10209 1 16 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.502 -0.475 19579 10210 1 16 . 1 1 26 26 ALA C C 26 177.490 177.490 178.163 -0.673 19579 10211 1 16 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.077 0.459 19579 10212 1 16 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.795 0.181 19579 10213 1 16 . 1 1 26 26 ALA H H 26 7.552 7.552 8.138 -0.586 19579 10214 1 16 . 1 1 27 27 VAL N N 27 113.110 113.110 114.732 -1.622 19579 10215 1 16 . 1 1 27 27 VAL HA H 27 3.461 3.461 4.111 -0.650 19579 10216 1 16 . 1 1 27 27 VAL C C 27 179.366 179.366 177.755 1.611 19579 10217 1 16 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.972 0.591 19579 10218 1 16 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.974 0.121 19579 10219 1 16 . 1 1 27 27 VAL H H 27 7.283 7.283 7.537 -0.254 19579 10220 1 16 . 1 1 28 28 ASN N N 28 119.671 119.671 120.539 -0.868 19579 10221 1 16 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.553 -0.198 19579 10222 1 16 . 1 1 28 28 ASN C C 28 177.667 177.667 176.928 0.739 19579 10223 1 16 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.668 0.423 19579 10224 1 16 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.202 0.118 19579 10225 1 16 . 1 1 28 28 ASN H H 28 8.374 8.374 8.391 -0.017 19579 10226 1 16 . 1 1 29 29 ARG N N 29 116.957 116.957 117.500 -0.543 19579 10227 1 16 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.341 -0.223 19579 10228 1 16 . 1 1 29 29 ARG C C 29 177.457 177.457 176.520 0.937 19579 10229 1 16 . 1 1 29 29 ARG CA C 29 58.695 58.695 56.505 2.190 19579 10230 1 16 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.177 -0.040 19579 10231 1 16 . 1 1 29 29 ARG H H 29 7.860 7.860 7.682 0.178 19579 10232 1 16 . 1 1 30 30 LEU N N 30 121.060 121.060 119.302 1.758 19579 10233 1 16 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.199 -0.245 19579 10234 1 16 . 1 1 30 30 LEU C C 30 174.975 174.975 178.345 -3.370 19579 10235 1 16 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.113 0.109 19579 10236 1 16 . 1 1 30 30 LEU CB C 30 40.958 40.958 42.137 -1.179 19579 10237 1 16 . 1 1 30 30 LEU H H 30 7.524 7.524 7.871 -0.347 19579 10238 1 16 . 1 1 31 31 SER N N 31 106.764 106.764 113.690 -6.926 19579 10239 1 16 . 1 1 31 31 SER HA H 31 4.523 4.523 4.434 0.089 19579 10240 1 16 . 1 1 31 31 SER C C 31 174.666 174.666 173.851 0.815 19579 10241 1 16 . 1 1 31 31 SER CA C 31 57.680 57.680 58.315 -0.635 19579 10242 1 16 . 1 1 31 31 SER CB C 31 63.290 63.290 61.782 1.508 19579 10243 1 16 . 1 1 31 31 SER H H 31 7.046 7.046 8.166 -1.120 19579 10244 1 16 . 1 1 32 32 SER N N 32 117.235 117.235 117.809 -0.574 19579 10245 1 16 . 1 1 32 32 SER HA H 32 4.383 4.383 4.690 -0.307 19579 10246 1 16 . 1 1 32 32 SER C C 32 174.677 174.677 174.602 0.075 19579 10247 1 16 . 1 1 32 32 SER CA C 32 58.027 58.027 56.696 1.331 19579 10248 1 16 . 1 1 32 32 SER CB C 32 66.069 66.069 65.054 1.015 19579 10249 1 16 . 1 1 32 32 SER H H 32 7.721 7.721 8.078 -0.357 19579 10250 1 16 . 1 1 33 33 ALA N N 33 126.048 126.048 128.441 -2.393 19579 10251 1 16 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.175 -0.077 19579 10252 1 16 . 1 1 33 33 ALA C C 33 180.822 180.822 179.667 1.155 19579 10253 1 16 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.922 -0.181 19579 10254 1 16 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.835 -0.806 19579 10255 1 16 . 1 1 33 33 ALA H H 33 8.980 8.980 8.885 0.095 19579 10256 1 16 . 1 1 34 34 GLU N N 34 117.978 117.978 119.666 -1.688 19579 10257 1 16 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.946 -0.011 19579 10258 1 16 . 1 1 34 34 GLU C C 34 178.560 178.560 178.673 -0.113 19579 10259 1 16 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.084 1.290 19579 10260 1 16 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.251 -0.438 19579 10261 1 16 . 1 1 34 34 GLU H H 34 8.993 8.993 7.760 1.233 19579 10262 1 16 . 1 1 35 35 ALA N N 35 123.748 123.748 122.221 1.527 19579 10263 1 16 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.194 -0.143 19579 10264 1 16 . 1 1 35 35 ALA C C 35 179.101 179.101 179.550 -0.449 19579 10265 1 16 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.918 0.501 19579 10266 1 16 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.198 1.086 19579 10267 1 16 . 1 1 35 35 ALA H H 35 7.443 7.443 8.239 -0.796 19579 10268 1 16 . 1 1 36 36 ALA N N 36 118.503 118.503 120.279 -1.776 19579 10269 1 16 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.928 -0.173 19579 10270 1 16 . 1 1 36 36 ALA C C 36 180.745 180.745 179.644 1.101 19579 10271 1 16 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.084 0.457 19579 10272 1 16 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.919 -0.893 19579 10273 1 16 . 1 1 36 36 ALA H H 36 7.484 7.484 8.522 -1.038 19579 10274 1 16 . 1 1 37 37 SER N N 37 114.688 114.688 113.571 1.117 19579 10275 1 16 . 1 1 37 37 SER HA H 37 4.170 4.170 4.066 0.104 19579 10276 1 16 . 1 1 37 37 SER C C 37 177.214 177.214 176.641 0.573 19579 10277 1 16 . 1 1 37 37 SER CA C 37 61.628 61.628 61.504 0.124 19579 10278 1 16 . 1 1 37 37 SER CB C 37 62.653 62.653 62.941 -0.288 19579 10279 1 16 . 1 1 37 37 SER H H 37 8.178 8.178 7.905 0.273 19579 10280 1 16 . 1 1 38 38 ARG N N 38 123.817 123.817 121.784 2.033 19579 10281 1 16 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.049 -0.045 19579 10282 1 16 . 1 1 38 38 ARG C C 38 179.564 179.564 178.981 0.583 19579 10283 1 16 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.348 1.309 19579 10284 1 16 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.348 1.465 19579 10285 1 16 . 1 1 38 38 ARG H H 38 7.882 7.882 7.776 0.106 19579 10286 1 16 . 1 1 39 39 VAL N N 39 120.446 120.446 120.471 -0.025 19579 10287 1 16 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.565 -0.236 19579 10288 1 16 . 1 1 39 39 VAL C C 39 178.505 178.505 177.607 0.898 19579 10289 1 16 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.954 1.240 19579 10290 1 16 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.617 -0.047 19579 10291 1 16 . 1 1 39 39 VAL H H 39 8.543 8.543 8.464 0.079 19579 10292 1 16 . 1 1 40 40 SER N N 40 114.009 114.009 113.948 0.061 19579 10293 1 16 . 1 1 40 40 SER HA H 40 4.080 4.080 4.081 -0.001 19579 10294 1 16 . 1 1 40 40 SER C C 40 176.340 176.340 176.139 0.201 19579 10295 1 16 . 1 1 40 40 SER CA C 40 62.940 62.940 61.193 1.747 19579 10296 1 16 . 1 1 40 40 SER CB C 40 62.953 62.953 62.660 0.293 19579 10297 1 16 . 1 1 40 40 SER H H 40 8.602 8.602 8.417 0.185 19579 10298 1 16 . 1 1 41 41 SER N N 41 114.648 114.648 115.307 -0.659 19579 10299 1 16 . 1 1 41 41 SER HA H 41 4.333 4.333 4.513 -0.180 19579 10300 1 16 . 1 1 41 41 SER C C 41 174.390 174.390 175.072 -0.682 19579 10301 1 16 . 1 1 41 41 SER CA C 41 60.828 60.828 60.526 0.302 19579 10302 1 16 . 1 1 41 41 SER CB C 41 63.563 63.563 63.628 -0.065 19579 10303 1 16 . 1 1 41 41 SER H H 41 8.003 8.003 7.562 0.441 19579 10304 1 16 . 1 1 42 42 ASN N N 42 117.849 117.849 118.942 -1.093 19579 10305 1 16 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.762 0.202 19579 10306 1 16 . 1 1 42 42 ASN C C 42 174.677 174.677 176.868 -2.191 19579 10307 1 16 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.795 0.568 19579 10308 1 16 . 1 1 42 42 ASN CB C 42 42.266 42.266 39.845 2.421 19579 10309 1 16 . 1 1 42 42 ASN H H 42 7.600 7.600 7.625 -0.025 19579 10310 1 16 . 1 1 43 43 ILE N N 43 116.952 116.952 117.321 -0.369 19579 10311 1 16 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.803 -0.132 19579 10312 1 16 . 1 1 43 43 ILE C C 43 176.773 176.773 176.860 -0.087 19579 10313 1 16 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.361 -0.134 19579 10314 1 16 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.225 0.185 19579 10315 1 16 . 1 1 43 43 ILE H H 43 7.336 7.336 8.577 -1.241 19579 10316 1 16 . 1 1 44 44 ALA N N 44 122.396 122.396 121.991 0.405 19579 10317 1 16 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.051 -0.015 19579 10318 1 16 . 1 1 44 44 ALA C C 44 180.304 180.304 178.371 1.933 19579 10319 1 16 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.452 0.937 19579 10320 1 16 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.054 -0.566 19579 10321 1 16 . 1 1 44 44 ALA H H 44 8.617 8.617 8.303 0.314 19579 10322 1 16 . 1 1 45 45 ALA N N 45 120.804 120.804 120.917 -0.113 19579 10323 1 16 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.226 -0.173 19579 10324 1 16 . 1 1 45 45 ALA C C 45 180.591 180.591 179.789 0.802 19579 10325 1 16 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.815 0.937 19579 10326 1 16 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.487 -0.870 19579 10327 1 16 . 1 1 45 45 ALA H H 45 7.913 7.913 7.592 0.321 19579 10328 1 16 . 1 1 46 46 ILE N N 46 117.637 117.637 120.221 -2.584 19579 10329 1 16 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.724 -0.096 19579 10330 1 16 . 1 1 46 46 ILE C C 46 177.612 177.612 178.453 -0.841 19579 10331 1 16 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.762 -1.483 19579 10332 1 16 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.703 -0.042 19579 10333 1 16 . 1 1 46 46 ILE H H 46 7.313 7.313 7.775 -0.462 19579 10334 1 16 . 1 1 47 47 ALA N N 47 121.493 121.493 121.992 -0.499 19579 10335 1 16 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.117 -0.173 19579 10336 1 16 . 1 1 47 47 ALA C C 47 178.538 178.538 178.512 0.026 19579 10337 1 16 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.470 0.917 19579 10338 1 16 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.335 0.644 19579 10339 1 16 . 1 1 47 47 ALA H H 47 8.413 8.413 8.299 0.114 19579 10340 1 16 . 1 1 48 48 SER N N 48 109.024 109.024 112.974 -3.950 19579 10341 1 16 . 1 1 48 48 SER HA H 48 4.352 4.352 4.593 -0.241 19579 10342 1 16 . 1 1 48 48 SER C C 48 176.056 176.056 174.526 1.530 19579 10343 1 16 . 1 1 48 48 SER CA C 48 59.977 59.977 58.588 1.389 19579 10344 1 16 . 1 1 48 48 SER CB C 48 63.838 63.838 64.085 -0.247 19579 10345 1 16 . 1 1 48 48 SER H H 48 8.030 8.030 7.616 0.414 19579 10346 1 16 . 1 1 49 49 GLY N N 49 108.121 108.121 108.695 -0.574 19579 10347 1 16 . 1 1 49 49 GLY C C 49 174.820 174.820 174.353 0.467 19579 10348 1 16 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.343 -0.150 19579 10349 1 16 . 1 1 49 49 GLY H H 49 8.048 8.048 7.788 0.260 19579 10350 1 16 . 1 1 50 50 GLY N N 50 111.955 111.955 108.403 3.552 19579 10351 1 16 . 1 1 50 50 GLY C C 50 174.975 174.975 174.186 0.789 19579 10352 1 16 . 1 1 50 50 GLY CA C 50 46.182 46.182 45.780 0.402 19579 10353 1 16 . 1 1 50 50 GLY H H 50 8.409 8.409 8.355 0.054 19579 10354 1 16 . 1 1 51 51 ALA N N 51 126.247 126.247 122.481 3.766 19579 10355 1 16 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.543 -0.724 19579 10356 1 16 . 1 1 51 51 ALA C C 51 179.697 179.697 178.710 0.987 19579 10357 1 16 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.287 2.773 19579 10358 1 16 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.179 -0.900 19579 10359 1 16 . 1 1 51 51 ALA H H 51 9.119 9.119 7.865 1.254 19579 10360 1 16 . 1 1 52 52 SER N N 52 111.975 111.975 115.780 -3.805 19579 10361 1 16 . 1 1 52 52 SER HA H 52 4.222 4.222 4.331 -0.109 19579 10362 1 16 . 1 1 52 52 SER C C 52 174.983 174.983 174.998 -0.015 19579 10363 1 16 . 1 1 52 52 SER CA C 52 60.814 60.814 59.820 0.994 19579 10364 1 16 . 1 1 52 52 SER CB C 52 62.977 62.977 62.975 0.002 19579 10365 1 16 . 1 1 52 52 SER H H 52 8.231 8.231 8.458 -0.227 19579 10366 1 16 . 1 1 53 53 ALA N N 53 122.484 122.484 122.346 0.138 19579 10367 1 16 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.296 0.106 19579 10368 1 16 . 1 1 53 53 ALA C C 53 177.391 177.391 179.427 -2.036 19579 10369 1 16 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.198 -1.071 19579 10370 1 16 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.409 1.538 19579 10371 1 16 . 1 1 53 53 ALA H H 53 7.602 7.602 8.043 -0.441 19579 10372 1 16 . 1 1 54 54 LEU N N 54 117.414 117.414 120.724 -3.310 19579 10373 1 16 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.085 -0.206 19579 10374 1 16 . 1 1 54 54 LEU C C 54 174.434 174.434 175.773 -1.339 19579 10375 1 16 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.028 0.287 19579 10376 1 16 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.544 0.076 19579 10377 1 16 . 1 1 54 54 LEU H H 54 7.408 7.408 7.735 -0.327 19579 10378 1 16 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.339 -0.148 19579 10379 1 16 . 1 1 55 55 PRO CA C 55 66.934 66.934 64.677 2.257 19579 10380 1 16 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.158 -0.108 19579 10381 1 16 . 1 1 56 56 SER N N 56 113.559 113.559 111.617 1.942 19579 10382 1 16 . 1 1 56 56 SER HA H 56 4.234 4.234 4.644 -0.410 19579 10383 1 16 . 1 1 56 56 SER C C 56 176.552 176.552 174.379 2.173 19579 10384 1 16 . 1 1 56 56 SER CA C 56 61.233 61.233 58.286 2.947 19579 10385 1 16 . 1 1 56 56 SER CB C 56 62.733 62.733 64.109 -1.376 19579 10386 1 16 . 1 1 56 56 SER H H 56 7.834 7.834 7.555 0.279 19579 10387 1 16 . 1 1 57 57 VAL N N 57 123.292 123.292 118.728 4.564 19579 10388 1 16 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.374 -0.631 19579 10389 1 16 . 1 1 57 57 VAL C C 57 178.042 178.042 175.931 2.111 19579 10390 1 16 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.052 3.408 19579 10391 1 16 . 1 1 57 57 VAL CB C 57 31.768 31.768 34.007 -2.239 19579 10392 1 16 . 1 1 57 57 VAL H H 57 8.263 8.263 7.615 0.648 19579 10393 1 16 . 1 1 58 58 ILE N N 58 118.510 118.510 121.450 -2.940 19579 10394 1 16 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.674 0.010 19579 10395 1 16 . 1 1 58 58 ILE C C 58 176.221 176.221 177.904 -1.683 19579 10396 1 16 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.612 -1.530 19579 10397 1 16 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.914 -0.565 19579 10398 1 16 . 1 1 58 58 ILE H H 58 8.873 8.873 8.600 0.273 19579 10399 1 16 . 1 1 59 59 SER N N 59 114.238 114.238 113.557 0.681 19579 10400 1 16 . 1 1 59 59 SER HA H 59 4.305 4.305 4.505 -0.200 19579 10401 1 16 . 1 1 59 59 SER C C 59 177.534 177.534 176.372 1.162 19579 10402 1 16 . 1 1 59 59 SER CA C 59 61.586 61.586 61.223 0.363 19579 10403 1 16 . 1 1 59 59 SER CB C 59 62.951 62.951 63.090 -0.139 19579 10404 1 16 . 1 1 59 59 SER H H 59 7.388 7.388 8.741 -1.353 19579 10405 1 16 . 1 1 60 60 ASN N N 60 120.810 120.810 120.702 0.108 19579 10406 1 16 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.555 -0.195 19579 10407 1 16 . 1 1 60 60 ASN C C 60 178.616 178.616 177.974 0.642 19579 10408 1 16 . 1 1 60 60 ASN CA C 60 56.715 56.715 56.092 0.623 19579 10409 1 16 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.294 0.702 19579 10410 1 16 . 1 1 60 60 ASN H H 60 8.147 8.147 7.772 0.375 19579 10411 1 16 . 1 1 61 61 ILE N N 61 121.116 121.116 120.885 0.231 19579 10412 1 16 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.673 -0.152 19579 10413 1 16 . 1 1 61 61 ILE C C 61 176.972 176.972 177.778 -0.806 19579 10414 1 16 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.349 1.213 19579 10415 1 16 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.017 0.990 19579 10416 1 16 . 1 1 61 61 ILE H H 61 8.642 8.642 7.728 0.914 19579 10417 1 16 . 1 1 62 62 TYR N N 62 119.953 119.953 121.257 -1.304 19579 10418 1 16 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.039 -0.416 19579 10419 1 16 . 1 1 62 62 TYR C C 62 176.828 176.828 177.514 -0.686 19579 10420 1 16 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.120 0.963 19579 10421 1 16 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.516 0.459 19579 10422 1 16 . 1 1 62 62 TYR H H 62 9.192 9.192 8.401 0.791 19579 10423 1 16 . 1 1 63 63 SER N N 63 111.464 111.464 114.991 -3.527 19579 10424 1 16 . 1 1 63 63 SER HA H 63 4.035 4.035 4.168 -0.133 19579 10425 1 16 . 1 1 63 63 SER C C 63 177.325 177.325 177.076 0.249 19579 10426 1 16 . 1 1 63 63 SER CA C 63 62.027 62.027 62.395 -0.368 19579 10427 1 16 . 1 1 63 63 SER CB C 63 62.565 62.565 62.708 -0.143 19579 10428 1 16 . 1 1 63 63 SER H H 63 8.320 8.320 8.176 0.144 19579 10429 1 16 . 1 1 64 64 GLY N N 64 110.383 110.383 109.467 0.916 19579 10430 1 16 . 1 1 64 64 GLY C C 64 175.581 175.581 174.892 0.689 19579 10431 1 16 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.518 0.796 19579 10432 1 16 . 1 1 64 64 GLY H H 64 7.724 7.724 7.637 0.087 19579 10433 1 16 . 1 1 65 65 VAL N N 65 124.665 124.665 120.106 4.559 19579 10434 1 16 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.908 -0.664 19579 10435 1 16 . 1 1 65 65 VAL C C 65 180.072 180.072 177.182 2.890 19579 10436 1 16 . 1 1 65 65 VAL CA C 65 67.004 67.004 64.026 2.978 19579 10437 1 16 . 1 1 65 65 VAL CB C 65 31.708 31.708 32.559 -0.850 19579 10438 1 16 . 1 1 65 65 VAL H H 65 8.584 8.584 7.394 1.190 19579 10439 1 16 . 1 1 66 66 VAL N N 66 120.803 120.803 118.518 2.285 19579 10440 1 16 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.667 0.056 19579 10441 1 16 . 1 1 66 66 VAL C C 66 179.829 179.829 177.503 2.326 19579 10442 1 16 . 1 1 66 66 VAL CA C 66 66.215 66.215 64.944 1.271 19579 10443 1 16 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.893 0.862 19579 10444 1 16 . 1 1 66 66 VAL H H 66 8.305 8.305 7.688 0.617 19579 10445 1 16 . 1 1 67 67 ALA N N 67 123.266 123.266 121.599 1.667 19579 10446 1 16 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.213 -0.050 19579 10447 1 16 . 1 1 67 67 ALA C C 67 178.560 178.560 178.903 -0.343 19579 10448 1 16 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.147 0.278 19579 10449 1 16 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.804 -0.793 19579 10450 1 16 . 1 1 67 67 ALA H H 67 7.979 7.979 7.630 0.349 19579 10451 1 16 . 1 1 68 68 SER N N 68 112.669 112.669 114.453 -1.784 19579 10452 1 16 . 1 1 68 68 SER HA H 68 4.436 4.436 4.335 0.101 19579 10453 1 16 . 1 1 68 68 SER C C 68 174.555 174.555 175.391 -0.836 19579 10454 1 16 . 1 1 68 68 SER CA C 68 59.634 59.634 58.909 0.725 19579 10455 1 16 . 1 1 68 68 SER CB C 68 63.943 63.943 63.543 0.400 19579 10456 1 16 . 1 1 68 68 SER H H 68 7.674 7.674 7.322 0.352 19579 10457 1 16 . 1 1 69 69 GLY N N 69 109.146 109.146 109.590 -0.444 19579 10458 1 16 . 1 1 69 69 GLY C C 69 173.904 173.904 173.264 0.640 19579 10459 1 16 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.612 0.619 19579 10460 1 16 . 1 1 69 69 GLY H H 69 7.939 7.939 7.393 0.546 19579 10461 1 16 . 1 1 70 70 VAL N N 70 119.926 119.926 119.800 0.126 19579 10462 1 16 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.328 -0.418 19579 10463 1 16 . 1 1 70 70 VAL C C 70 174.997 174.997 175.505 -0.508 19579 10464 1 16 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.618 1.666 19579 10465 1 16 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.619 -1.195 19579 10466 1 16 . 1 1 70 70 VAL H H 70 6.723 6.723 7.319 -0.596 19579 10467 1 16 . 1 1 71 71 SER N N 71 120.581 120.581 120.145 0.436 19579 10468 1 16 . 1 1 71 71 SER HA H 71 4.386 4.386 4.561 -0.175 19579 10469 1 16 . 1 1 71 71 SER C C 71 175.559 175.559 175.509 0.050 19579 10470 1 16 . 1 1 71 71 SER CA C 71 58.441 58.441 57.820 0.621 19579 10471 1 16 . 1 1 71 71 SER CB C 71 64.632 64.632 64.495 0.137 19579 10472 1 16 . 1 1 71 71 SER H H 71 8.577 8.577 8.548 0.029 19579 10473 1 16 . 1 1 72 72 SER N N 72 117.898 117.898 116.458 1.440 19579 10474 1 16 . 1 1 72 72 SER HA H 72 4.083 4.083 4.088 -0.005 19579 10475 1 16 . 1 1 72 72 SER C C 72 176.255 176.255 176.721 -0.466 19579 10476 1 16 . 1 1 72 72 SER CA C 72 61.586 61.586 61.665 -0.079 19579 10477 1 16 . 1 1 72 72 SER CB C 72 62.622 62.622 62.930 -0.308 19579 10478 1 16 . 1 1 72 72 SER H H 72 8.889 8.889 8.628 0.261 19579 10479 1 16 . 1 1 73 73 ASN N N 73 118.976 118.976 120.192 -1.216 19579 10480 1 16 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.477 0.180 19579 10481 1 16 . 1 1 73 73 ASN C C 73 176.506 176.506 177.488 -0.982 19579 10482 1 16 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.546 0.515 19579 10483 1 16 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.240 -0.240 19579 10484 1 16 . 1 1 73 73 ASN H H 73 8.519 8.519 8.494 0.025 19579 10485 1 16 . 1 1 74 74 GLU N N 74 118.543 118.543 120.010 -1.467 19579 10486 1 16 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.264 -0.154 19579 10487 1 16 . 1 1 74 74 GLU C C 74 176.994 176.994 178.084 -1.090 19579 10488 1 16 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.156 -0.130 19579 10489 1 16 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.733 1.630 19579 10490 1 16 . 1 1 74 74 GLU H H 74 7.768 7.768 7.498 0.270 19579 10491 1 16 . 1 1 75 75 ALA N N 75 121.901 121.901 123.984 -2.083 19579 10492 1 16 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.024 -0.334 19579 10493 1 16 . 1 1 75 75 ALA C C 75 178.318 178.318 179.573 -1.255 19579 10494 1 16 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.236 -0.008 19579 10495 1 16 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.166 0.475 19579 10496 1 16 . 1 1 75 75 ALA H H 75 8.069 8.069 8.379 -0.310 19579 10497 1 16 . 1 1 76 76 LEU N N 76 117.360 117.360 118.858 -1.498 19579 10498 1 16 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.181 -0.071 19579 10499 1 16 . 1 1 76 76 LEU C C 76 177.854 177.854 178.728 -0.874 19579 10500 1 16 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.718 0.296 19579 10501 1 16 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.079 -1.311 19579 10502 1 16 . 1 1 76 76 LEU H H 76 8.121 8.121 7.510 0.611 19579 10503 1 16 . 1 1 77 77 ILE N N 77 116.714 116.714 118.902 -2.188 19579 10504 1 16 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.708 -0.256 19579 10505 1 16 . 1 1 77 77 ILE C C 77 176.883 176.883 178.020 -1.137 19579 10506 1 16 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.514 -0.256 19579 10507 1 16 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.999 -0.257 19579 10508 1 16 . 1 1 77 77 ILE H H 77 7.607 7.607 7.209 0.398 19579 10509 1 16 . 1 1 78 78 GLN N N 78 119.338 119.338 120.666 -1.328 19579 10510 1 16 . 1 1 78 78 GLN HA H 78 3.632 3.632 4.098 -0.466 19579 10511 1 16 . 1 1 78 78 GLN C C 78 177.521 177.521 178.270 -0.749 19579 10512 1 16 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.170 1.150 19579 10513 1 16 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.328 -0.153 19579 10514 1 16 . 1 1 78 78 GLN H H 78 8.119 8.119 8.706 -0.587 19579 10515 1 16 . 1 1 79 79 ALA N N 79 119.218 119.218 121.359 -2.141 19579 10516 1 16 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.049 -0.177 19579 10517 1 16 . 1 1 79 79 ALA C C 79 179.311 179.311 179.775 -0.464 19579 10518 1 16 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.249 -0.424 19579 10519 1 16 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.263 -0.444 19579 10520 1 16 . 1 1 79 79 ALA H H 79 8.639 8.639 7.721 0.918 19579 10521 1 16 . 1 1 80 80 LEU N N 80 116.262 116.262 118.845 -2.583 19579 10522 1 16 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.005 -0.106 19579 10523 1 16 . 1 1 80 80 LEU C C 80 178.914 178.914 179.092 -0.178 19579 10524 1 16 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.264 0.747 19579 10525 1 16 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.711 -0.096 19579 10526 1 16 . 1 1 80 80 LEU H H 80 8.450 8.450 7.479 0.971 19579 10527 1 16 . 1 1 81 81 LEU N N 81 118.995 118.995 119.799 -0.804 19579 10528 1 16 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.930 0.042 19579 10529 1 16 . 1 1 81 81 LEU C C 81 180.127 180.127 179.490 0.637 19579 10530 1 16 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.174 -0.191 19579 10531 1 16 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.182 1.361 19579 10532 1 16 . 1 1 81 81 LEU H H 81 8.151 8.151 8.451 -0.300 19579 10533 1 16 . 1 1 82 82 GLU N N 82 124.890 124.890 119.579 5.311 19579 10534 1 16 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.166 -0.533 19579 10535 1 16 . 1 1 82 82 GLU C C 82 178.505 178.505 179.277 -0.772 19579 10536 1 16 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.825 2.475 19579 10537 1 16 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.501 0.278 19579 10538 1 16 . 1 1 82 82 GLU H H 82 8.659 8.659 8.247 0.412 19579 10539 1 16 . 1 1 83 83 LEU N N 83 121.487 121.487 121.288 0.199 19579 10540 1 16 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.214 -0.394 19579 10541 1 16 . 1 1 83 83 LEU C C 83 178.163 178.163 178.557 -0.394 19579 10542 1 16 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.604 0.551 19579 10543 1 16 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.629 0.005 19579 10544 1 16 . 1 1 83 83 LEU H H 83 8.658 8.658 7.486 1.172 19579 10545 1 16 . 1 1 84 84 LEU N N 84 118.904 118.904 119.043 -0.139 19579 10546 1 16 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.184 -0.398 19579 10547 1 16 . 1 1 84 84 LEU C C 84 178.064 178.064 178.470 -0.406 19579 10548 1 16 . 1 1 84 84 LEU CA C 84 58.663 58.663 57.197 1.466 19579 10549 1 16 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.876 1.329 19579 10550 1 16 . 1 1 84 84 LEU H H 84 8.803 8.803 8.333 0.470 19579 10551 1 16 . 1 1 85 85 SER N N 85 114.347 114.347 114.481 -0.134 19579 10552 1 16 . 1 1 85 85 SER HA H 85 4.211 4.211 4.484 -0.273 19579 10553 1 16 . 1 1 85 85 SER C C 85 174.633 174.633 175.926 -1.293 19579 10554 1 16 . 1 1 85 85 SER CA C 85 62.957 62.957 59.990 2.967 19579 10555 1 16 . 1 1 85 85 SER CB C 85 62.947 62.947 64.344 -1.397 19579 10556 1 16 . 1 1 85 85 SER H H 85 7.879 7.879 7.930 -0.051 19579 10557 1 16 . 1 1 86 86 ALA N N 86 124.206 124.206 126.481 -2.275 19579 10558 1 16 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.072 -0.302 19579 10559 1 16 . 1 1 86 86 ALA C C 86 178.538 178.538 179.437 -0.899 19579 10560 1 16 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.354 0.012 19579 10561 1 16 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.525 -1.181 19579 10562 1 16 . 1 1 86 86 ALA H H 86 8.199 8.199 7.515 0.684 19579 10563 1 16 . 1 1 87 87 LEU N N 87 116.463 116.463 115.317 1.146 19579 10564 1 16 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.187 -0.366 19579 10565 1 16 . 1 1 87 87 LEU C C 87 178.709 178.709 178.438 0.271 19579 10566 1 16 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.687 0.667 19579 10567 1 16 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.558 2.036 19579 10568 1 16 . 1 1 87 87 LEU H H 87 8.140 8.140 7.551 0.589 19579 10569 1 16 . 1 1 88 88 VAL N N 88 118.854 118.854 120.770 -1.916 19579 10570 1 16 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.664 -0.261 19579 10571 1 16 . 1 1 88 88 VAL C C 88 177.766 177.766 178.134 -0.368 19579 10572 1 16 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.537 0.128 19579 10573 1 16 . 1 1 88 88 VAL CB C 88 31.447 31.447 30.813 0.634 19579 10574 1 16 . 1 1 88 88 VAL H H 88 8.716 8.716 7.516 1.200 19579 10575 1 16 . 1 1 89 89 HIS N N 89 121.227 121.227 119.618 1.609 19579 10576 1 16 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.236 -0.197 19579 10577 1 16 . 1 1 89 89 HIS C C 89 178.880 178.880 177.326 1.554 19579 10578 1 16 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.995 1.327 19579 10579 1 16 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.282 1.466 19579 10580 1 16 . 1 1 89 89 HIS H H 89 8.664 8.664 7.927 0.737 19579 10581 1 16 . 1 1 90 90 VAL N N 90 118.094 118.094 115.730 2.364 19579 10582 1 16 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.926 -0.359 19579 10583 1 16 . 1 1 90 90 VAL C C 90 177.733 177.733 177.456 0.277 19579 10584 1 16 . 1 1 90 90 VAL CA C 90 66.830 66.830 64.972 1.858 19579 10585 1 16 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.857 -0.257 19579 10586 1 16 . 1 1 90 90 VAL H H 90 7.994 7.994 7.447 0.547 19579 10587 1 16 . 1 1 91 91 LEU N N 91 119.672 119.672 121.264 -1.592 19579 10588 1 16 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.071 -0.239 19579 10589 1 16 . 1 1 91 91 LEU C C 91 178.869 178.869 178.810 0.059 19579 10590 1 16 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.611 0.147 19579 10591 1 16 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.328 1.611 19579 10592 1 16 . 1 1 91 91 LEU H H 91 8.393 8.393 7.871 0.522 19579 10593 1 16 . 1 1 92 92 SER N N 92 113.554 113.554 112.652 0.902 19579 10594 1 16 . 1 1 92 92 SER HA H 92 4.297 4.297 4.059 0.238 19579 10595 1 16 . 1 1 92 92 SER C C 92 174.500 174.500 175.478 -0.978 19579 10596 1 16 . 1 1 92 92 SER CA C 92 61.410 61.410 60.961 0.449 19579 10597 1 16 . 1 1 92 92 SER CB C 92 63.254 63.254 62.719 0.534 19579 10598 1 16 . 1 1 92 92 SER H H 92 7.900 7.900 7.798 0.102 19579 10599 1 16 . 1 1 93 93 SER N N 93 115.055 115.055 115.848 -0.793 19579 10600 1 16 . 1 1 93 93 SER HA H 93 4.704 4.704 4.465 0.239 19579 10601 1 16 . 1 1 93 93 SER C C 93 173.044 173.044 174.856 -1.812 19579 10602 1 16 . 1 1 93 93 SER CA C 93 57.967 57.967 59.505 -1.538 19579 10603 1 16 . 1 1 93 93 SER CB C 93 64.574 64.574 64.138 0.436 19579 10604 1 16 . 1 1 93 93 SER H H 93 7.420 7.420 7.495 -0.075 19579 10605 1 16 . 1 1 94 94 ALA N N 94 124.504 124.504 125.297 -0.793 19579 10606 1 16 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.093 0.536 19579 10607 1 16 . 1 1 94 94 ALA C C 94 176.199 176.199 177.544 -1.345 19579 10608 1 16 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.565 -2.096 19579 10609 1 16 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.918 2.702 19579 10610 1 16 . 1 1 94 94 ALA H H 94 7.476 7.476 7.606 -0.130 19579 10611 1 16 . 1 1 95 95 SER N N 95 115.739 115.739 113.669 2.070 19579 10612 1 16 . 1 1 95 95 SER HA H 95 4.758 4.758 4.097 0.661 19579 10613 1 16 . 1 1 95 95 SER C C 95 174.136 174.136 174.237 -0.101 19579 10614 1 16 . 1 1 95 95 SER CA C 95 57.343 57.343 58.686 -1.343 19579 10615 1 16 . 1 1 95 95 SER CB C 95 63.303 63.303 61.570 1.733 19579 10616 1 16 . 1 1 95 95 SER H H 95 8.483 8.483 7.709 0.774 19579 10617 1 16 . 1 1 96 96 ILE N N 96 128.288 128.288 120.179 8.109 19579 10618 1 16 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.000 -0.007 19579 10619 1 16 . 1 1 96 96 ILE C C 96 175.868 175.868 174.474 1.394 19579 10620 1 16 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.758 -1.396 19579 10621 1 16 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.982 -0.369 19579 10622 1 16 . 1 1 96 96 ILE H H 96 8.869 8.869 7.843 1.026 19579 10623 1 16 . 1 1 97 97 GLY N N 97 115.495 115.495 113.818 1.677 19579 10624 1 16 . 1 1 97 97 GLY C C 97 173.022 173.022 172.951 0.071 19579 10625 1 16 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.021 0.849 19579 10626 1 16 . 1 1 97 97 GLY H H 97 8.272 8.272 8.352 -0.080 19579 10627 1 16 . 1 1 98 98 ASN N N 98 120.819 120.819 119.678 1.141 19579 10628 1 16 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.736 -0.088 19579 10629 1 16 . 1 1 98 98 ASN C C 98 174.809 174.809 175.093 -0.284 19579 10630 1 16 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.984 0.442 19579 10631 1 16 . 1 1 98 98 ASN CB C 98 38.665 38.665 38.996 -0.331 19579 10632 1 16 . 1 1 98 98 ASN H H 98 8.420 8.420 8.395 0.025 19579 10633 1 16 . 1 1 99 99 VAL N N 99 122.960 122.960 125.630 -2.670 19579 10634 1 16 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.172 0.002 19579 10635 1 16 . 1 1 99 99 VAL C C 99 174.500 174.500 176.179 -1.679 19579 10636 1 16 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.395 -1.027 19579 10637 1 16 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.784 0.622 19579 10638 1 16 . 1 1 99 99 VAL H H 99 8.292 8.292 8.007 0.285 19579 10639 1 16 . 1 1 100 100 SER N N 100 120.723 120.723 120.744 -0.021 19579 10640 1 16 . 1 1 100 100 SER HA H 100 4.756 4.756 4.634 0.122 19579 10641 1 16 . 1 1 100 100 SER C C 100 174.235 174.235 175.197 -0.962 19579 10642 1 16 . 1 1 100 100 SER CA C 100 56.687 56.687 57.423 -0.736 19579 10643 1 16 . 1 1 100 100 SER CB C 100 64.904 64.904 63.600 1.304 19579 10644 1 16 . 1 1 100 100 SER H H 100 8.644 8.644 8.603 0.041 19579 10645 1 16 . 1 1 101 101 SER N N 101 117.236 117.236 124.732 -7.496 19579 10646 1 16 . 1 1 101 101 SER HA H 101 4.130 4.130 4.379 -0.249 19579 10647 1 16 . 1 1 101 101 SER CA C 101 59.000 59.000 58.389 0.611 19579 10648 1 16 . 1 1 101 101 SER CB C 101 63.104 63.104 62.568 0.536 19579 10649 1 16 . 1 1 102 102 VAL N N 102 124.874 124.874 121.534 3.340 19579 10650 1 16 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.143 -0.322 19579 10651 1 16 . 1 1 102 102 VAL C C 102 177.545 177.545 175.247 2.298 19579 10652 1 16 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.843 2.740 19579 10653 1 16 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.057 -0.577 19579 10654 1 16 . 1 1 102 102 VAL H H 102 8.090 8.090 7.700 0.390 19579 10655 1 16 . 1 1 103 103 GLY N N 103 114.589 114.589 115.438 -0.849 19579 10656 1 16 . 1 1 103 103 GLY C C 103 176.387 176.387 175.009 1.378 19579 10657 1 16 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.876 0.810 19579 10658 1 16 . 1 1 103 103 GLY H H 103 9.051 9.051 8.661 0.390 19579 10659 1 16 . 1 1 104 104 VAL N N 104 121.976 121.976 119.156 2.820 19579 10660 1 16 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.612 -0.264 19579 10661 1 16 . 1 1 104 104 VAL C C 104 176.045 176.045 176.880 -0.835 19579 10662 1 16 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.630 1.259 19579 10663 1 16 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.764 -0.499 19579 10664 1 16 . 1 1 104 104 VAL H H 104 7.753 7.753 8.020 -0.267 19579 10665 1 16 . 1 1 105 105 ASP N N 105 117.868 117.868 117.014 0.854 19579 10666 1 16 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.234 -0.083 19579 10667 1 16 . 1 1 105 105 ASP C C 105 178.406 178.406 177.863 0.543 19579 10668 1 16 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.276 -0.566 19579 10669 1 16 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.516 -1.864 19579 10670 1 16 . 1 1 105 105 ASP H H 105 8.719 8.719 8.585 0.134 19579 10671 1 16 . 1 1 106 106 SER N N 106 117.500 117.500 113.200 4.300 19579 10672 1 16 . 1 1 106 106 SER HA H 106 4.306 4.306 4.249 0.057 19579 10673 1 16 . 1 1 106 106 SER C C 106 176.784 176.784 176.380 0.404 19579 10674 1 16 . 1 1 106 106 SER CA C 106 61.523 61.523 61.381 0.142 19579 10675 1 16 . 1 1 106 106 SER CB C 106 62.480 62.480 63.038 -0.558 19579 10676 1 16 . 1 1 106 106 SER H H 106 7.685 7.685 7.759 -0.074 19579 10677 1 16 . 1 1 107 107 THR N N 107 121.741 121.741 118.799 2.942 19579 10678 1 16 . 1 1 107 107 THR HA H 107 4.373 4.373 4.226 0.147 19579 10679 1 16 . 1 1 107 107 THR C C 107 176.227 176.227 176.031 0.196 19579 10680 1 16 . 1 1 107 107 THR CA C 107 66.648 66.648 65.269 1.379 19579 10681 1 16 . 1 1 107 107 THR CB C 107 66.884 66.884 69.029 -2.146 19579 10682 1 16 . 1 1 107 107 THR H H 107 8.024 8.024 7.602 0.422 19579 10683 1 16 . 1 1 108 108 LEU N N 108 122.175 122.175 121.509 0.666 19579 10684 1 16 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.006 -0.090 19579 10685 1 16 . 1 1 108 108 LEU C C 108 178.560 178.560 178.191 0.369 19579 10686 1 16 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.373 1.796 19579 10687 1 16 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.429 -0.400 19579 10688 1 16 . 1 1 108 108 LEU H H 108 8.475 8.475 8.044 0.431 19579 10689 1 16 . 1 1 109 109 ASN N N 109 116.499 116.499 117.767 -1.268 19579 10690 1 16 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.627 -0.141 19579 10691 1 16 . 1 1 109 109 ASN C C 109 177.181 177.181 177.239 -0.058 19579 10692 1 16 . 1 1 109 109 ASN CA C 109 56.499 56.499 56.123 0.376 19579 10693 1 16 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.645 0.340 19579 10694 1 16 . 1 1 109 109 ASN H H 109 7.567 7.567 7.624 -0.057 19579 10695 1 16 . 1 1 110 110 VAL N N 110 121.382 121.382 120.929 0.453 19579 10696 1 16 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.881 -0.004 19579 10697 1 16 . 1 1 110 110 VAL C C 110 180.116 180.116 177.581 2.535 19579 10698 1 16 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.207 1.028 19579 10699 1 16 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.436 0.124 19579 10700 1 16 . 1 1 110 110 VAL H H 110 7.978 7.978 7.471 0.507 19579 10701 1 16 . 1 1 111 111 VAL N N 111 123.748 123.748 120.433 3.315 19579 10702 1 16 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.933 -0.575 19579 10703 1 16 . 1 1 111 111 VAL C C 111 177.424 177.424 177.591 -0.167 19579 10704 1 16 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.013 3.168 19579 10705 1 16 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.316 -0.210 19579 10706 1 16 . 1 1 111 111 VAL H H 111 8.228 8.228 7.494 0.734 19579 10707 1 16 . 1 1 112 112 GLN N N 112 120.331 120.331 119.169 1.162 19579 10708 1 16 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.972 -0.374 19579 10709 1 16 . 1 1 112 112 GLN C C 112 178.329 178.329 178.364 -0.035 19579 10710 1 16 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.312 0.997 19579 10711 1 16 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.378 1.763 19579 10712 1 16 . 1 1 112 112 GLN H H 112 8.719 8.719 7.565 1.154 19579 10713 1 16 . 1 1 113 113 ASP N N 113 117.931 117.931 118.019 -0.088 19579 10714 1 16 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.447 -0.097 19579 10715 1 16 . 1 1 113 113 ASP C C 113 178.406 178.406 177.529 0.877 19579 10716 1 16 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.761 0.268 19579 10717 1 16 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.061 0.233 19579 10718 1 16 . 1 1 113 113 ASP H H 113 8.410 8.410 7.688 0.722 19579 10719 1 16 . 1 1 114 114 SER N N 114 113.798 113.798 113.966 -0.168 19579 10720 1 16 . 1 1 114 114 SER HA H 114 4.310 4.310 4.361 -0.051 19579 10721 1 16 . 1 1 114 114 SER C C 114 175.416 175.416 176.219 -0.803 19579 10722 1 16 . 1 1 114 114 SER CA C 114 61.981 61.981 60.553 1.428 19579 10723 1 16 . 1 1 114 114 SER CB C 114 63.618 63.618 64.231 -0.613 19579 10724 1 16 . 1 1 114 114 SER H H 114 7.973 7.973 7.528 0.445 19579 10725 1 16 . 1 1 115 115 VAL N N 115 115.306 115.306 121.759 -6.453 19579 10726 1 16 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.353 -0.146 19579 10727 1 16 . 1 1 115 115 VAL C C 115 177.325 177.325 177.122 0.203 19579 10728 1 16 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.357 0.907 19579 10729 1 16 . 1 1 115 115 VAL CB C 115 32.367 32.367 31.914 0.453 19579 10730 1 16 . 1 1 115 115 VAL H H 115 8.090 8.090 7.961 0.129 19579 10731 1 16 . 1 1 116 116 GLY N N 116 107.952 107.952 108.730 -0.778 19579 10732 1 16 . 1 1 116 116 GLY C C 116 175.129 175.129 174.893 0.236 19579 10733 1 16 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.211 0.619 19579 10734 1 16 . 1 1 116 116 GLY H H 116 7.991 7.991 7.951 0.040 19579 10735 1 16 . 1 1 117 117 GLN N N 117 116.191 116.191 117.856 -1.665 19579 10736 1 16 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.210 -0.157 19579 10737 1 16 . 1 1 117 117 GLN C C 117 176.056 176.056 176.033 0.023 19579 10738 1 16 . 1 1 117 117 GLN CA C 117 57.056 57.056 56.836 0.220 19579 10739 1 16 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.912 0.580 19579 10740 1 16 . 1 1 117 117 GLN H H 117 7.721 7.721 7.696 0.025 19579 10741 1 16 . 1 1 118 118 TYR N N 118 116.504 116.504 118.594 -2.090 19579 10742 1 16 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.441 -0.215 19579 10743 1 16 . 1 1 118 118 TYR C C 118 174.919 174.919 177.207 -2.288 19579 10744 1 16 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.054 -0.403 19579 10745 1 16 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.517 -0.526 19579 10746 1 16 . 1 1 118 118 TYR H H 118 7.685 7.685 8.009 -0.324 19579 10747 1 16 . 1 1 119 119 VAL N N 119 115.145 115.145 117.907 -2.762 19579 10748 1 16 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.035 0.159 19579 10749 1 16 . 1 1 119 119 VAL C C 119 174.666 174.666 177.020 -2.354 19579 10750 1 16 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.924 -1.962 19579 10751 1 16 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.829 0.788 19579 10752 1 16 . 1 1 119 119 VAL H H 119 7.132 7.132 7.828 -0.696 19579 10753 1 17 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.921 -1.045 19579 10754 1 17 . 1 1 -2 -2 ASN N N -2 118.808 118.808 120.523 -1.715 19579 10755 1 17 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.757 0.427 19579 10756 1 17 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.145 0.254 19579 10757 1 17 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.625 -0.318 19579 10758 1 17 . 1 1 2 2 THR N N 2 116.876 116.876 113.962 2.914 19579 10759 1 17 . 1 1 2 2 THR HA H 2 4.348 4.348 4.663 -0.315 19579 10760 1 17 . 1 1 2 2 THR C C 2 174.600 174.600 174.235 0.365 19579 10761 1 17 . 1 1 2 2 THR CA C 2 61.785 61.785 60.875 0.910 19579 10762 1 17 . 1 1 2 2 THR CB C 2 69.800 69.800 70.978 -1.178 19579 10763 1 17 . 1 1 2 2 THR H H 2 8.176 8.176 7.987 0.189 19579 10764 1 17 . 1 1 3 3 SER N N 3 117.968 117.968 118.885 -0.917 19579 10765 1 17 . 1 1 3 3 SER C C 3 174.732 174.732 175.041 -0.309 19579 10766 1 17 . 1 1 3 3 SER CA C 3 58.585 58.585 58.357 0.228 19579 10767 1 17 . 1 1 3 3 SER H H 3 8.248 8.248 8.396 -0.148 19579 10768 1 17 . 1 1 5 5 GLY N N 5 108.381 108.381 107.923 0.458 19579 10769 1 17 . 1 1 5 5 GLY C C 5 173.728 173.728 173.112 0.616 19579 10770 1 17 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.093 0.122 19579 10771 1 17 . 1 1 5 5 GLY H H 5 8.134 8.134 7.808 0.326 19579 10772 1 17 . 1 1 6 6 TYR N N 6 120.011 120.011 123.461 -3.450 19579 10773 1 17 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.515 -0.051 19579 10774 1 17 . 1 1 6 6 TYR C C 6 176.232 176.232 176.150 0.082 19579 10775 1 17 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.523 0.652 19579 10776 1 17 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.531 -0.767 19579 10777 1 17 . 1 1 6 6 TYR H H 6 8.096 8.096 8.288 -0.192 19579 10778 1 17 . 1 1 7 7 GLY N N 7 110.530 110.530 110.910 -0.380 19579 10779 1 17 . 1 1 7 7 GLY C C 7 173.772 173.772 173.573 0.199 19579 10780 1 17 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.373 0.849 19579 10781 1 17 . 1 1 7 7 GLY H H 7 8.283 8.283 8.292 -0.009 19579 10782 1 17 . 1 1 8 8 TYR N N 8 120.132 120.132 117.817 2.315 19579 10783 1 17 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.626 -0.143 19579 10784 1 17 . 1 1 8 8 TYR C C 8 176.420 176.420 176.633 -0.213 19579 10785 1 17 . 1 1 8 8 TYR CA C 8 58.334 58.334 58.315 0.019 19579 10786 1 17 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.386 -0.642 19579 10787 1 17 . 1 1 8 8 TYR H H 8 7.987 7.987 8.172 -0.185 19579 10788 1 17 . 1 1 9 9 GLY N N 9 110.831 110.831 112.015 -1.184 19579 10789 1 17 . 1 1 9 9 GLY C C 9 174.335 174.335 173.966 0.369 19579 10790 1 17 . 1 1 9 9 GLY CA C 9 45.449 45.449 45.126 0.323 19579 10791 1 17 . 1 1 9 9 GLY H H 9 8.400 8.400 8.541 -0.141 19579 10792 1 17 . 1 1 10 10 THR N N 10 113.216 113.216 114.740 -1.524 19579 10793 1 17 . 1 1 10 10 THR HA H 10 4.366 4.366 4.865 -0.499 19579 10794 1 17 . 1 1 10 10 THR C C 10 174.721 174.721 174.478 0.243 19579 10795 1 17 . 1 1 10 10 THR CA C 10 61.829 61.829 61.999 -0.170 19579 10796 1 17 . 1 1 10 10 THR CB C 10 69.881 69.881 70.327 -0.446 19579 10797 1 17 . 1 1 10 10 THR H H 10 8.012 8.012 7.895 0.117 19579 10798 1 17 . 1 1 11 11 SER N N 11 117.904 117.904 119.476 -1.572 19579 10799 1 17 . 1 1 11 11 SER HA H 11 4.414 4.414 4.615 -0.201 19579 10800 1 17 . 1 1 11 11 SER C C 11 174.335 174.335 174.101 0.234 19579 10801 1 17 . 1 1 11 11 SER CA C 11 58.363 58.363 57.518 0.845 19579 10802 1 17 . 1 1 11 11 SER CB C 11 63.911 63.911 63.904 0.007 19579 10803 1 17 . 1 1 11 11 SER H H 11 8.342 8.342 8.548 -0.206 19579 10804 1 17 . 1 1 12 12 ALA N N 12 126.003 126.003 124.308 1.695 19579 10805 1 17 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.545 -0.307 19579 10806 1 17 . 1 1 12 12 ALA C C 12 177.468 177.468 176.415 1.053 19579 10807 1 17 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.362 0.410 19579 10808 1 17 . 1 1 12 12 ALA CB C 12 19.088 19.088 18.942 0.146 19579 10809 1 17 . 1 1 12 12 ALA H H 12 8.274 8.274 8.280 -0.006 19579 10810 1 17 . 1 1 13 13 ALA N N 13 122.954 122.954 124.709 -1.755 19579 10811 1 17 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.729 -0.504 19579 10812 1 17 . 1 1 13 13 ALA C C 13 178.207 178.207 176.702 1.505 19579 10813 1 17 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.885 0.694 19579 10814 1 17 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.063 0.228 19579 10815 1 17 . 1 1 13 13 ALA H H 13 8.121 8.121 8.347 -0.226 19579 10816 1 17 . 1 1 14 14 ALA N N 14 123.733 123.733 124.389 -0.656 19579 10817 1 17 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.521 -0.264 19579 10818 1 17 . 1 1 14 14 ALA C C 14 178.227 178.227 175.677 2.550 19579 10819 1 17 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.310 0.439 19579 10820 1 17 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.294 -1.018 19579 10821 1 17 . 1 1 14 14 ALA H H 14 8.262 8.262 8.232 0.030 19579 10822 1 17 . 1 1 15 15 GLY N N 15 108.014 108.014 106.264 1.750 19579 10823 1 17 . 1 1 15 15 GLY C C 15 173.849 173.849 172.441 1.408 19579 10824 1 17 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.897 -0.586 19579 10825 1 17 . 1 1 15 15 GLY H H 15 8.239 8.239 8.207 0.032 19579 10826 1 17 . 1 1 16 16 ALA N N 16 123.529 123.529 121.074 2.455 19579 10827 1 17 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.835 -0.537 19579 10828 1 17 . 1 1 16 16 ALA C C 16 178.108 178.108 176.489 1.619 19579 10829 1 17 . 1 1 16 16 ALA CA C 16 52.711 52.711 50.351 2.360 19579 10830 1 17 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.566 -2.250 19579 10831 1 17 . 1 1 16 16 ALA H H 16 8.102 8.102 8.087 0.015 19579 10832 1 17 . 1 1 17 17 GLY N N 17 108.099 108.099 106.212 1.887 19579 10833 1 17 . 1 1 17 17 GLY C C 17 174.081 174.081 174.009 0.072 19579 10834 1 17 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.352 -0.117 19579 10835 1 17 . 1 1 17 17 GLY H H 17 8.356 8.356 8.618 -0.262 19579 10836 1 17 . 1 1 18 18 VAL N N 18 119.220 119.220 121.851 -2.631 19579 10837 1 17 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.267 -0.200 19579 10838 1 17 . 1 1 18 18 VAL C C 18 175.946 175.946 175.383 0.563 19579 10839 1 17 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.911 1.372 19579 10840 1 17 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.124 -0.360 19579 10841 1 17 . 1 1 18 18 VAL H H 18 7.899 7.899 7.511 0.388 19579 10842 1 17 . 1 1 19 19 ALA N N 19 127.804 127.804 121.206 6.598 19579 10843 1 17 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.516 0.771 19579 10844 1 17 . 1 1 19 19 ALA C C 19 177.303 177.303 175.311 1.992 19579 10845 1 17 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.066 -0.605 19579 10846 1 17 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.022 2.277 19579 10847 1 17 . 1 1 19 19 ALA H H 19 8.377 8.377 7.868 0.509 19579 10848 1 17 . 1 1 20 20 ALA N N 20 123.602 123.602 119.980 3.622 19579 10849 1 17 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.472 -0.193 19579 10850 1 17 . 1 1 20 20 ALA C C 20 178.086 178.086 177.032 1.054 19579 10851 1 17 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.526 1.226 19579 10852 1 17 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.514 -1.199 19579 10853 1 17 . 1 1 20 20 ALA H H 20 8.261 8.261 7.622 0.639 19579 10854 1 17 . 1 1 21 21 GLY N N 21 108.033 108.033 112.724 -4.691 19579 10855 1 17 . 1 1 21 21 GLY C C 21 174.213 174.213 174.905 -0.692 19579 10856 1 17 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.647 -1.356 19579 10857 1 17 . 1 1 21 21 GLY H H 21 8.323 8.323 9.073 -0.750 19579 10858 1 17 . 1 1 22 22 SER N N 22 115.596 115.596 117.043 -1.447 19579 10859 1 17 . 1 1 22 22 SER HA H 22 4.369 4.369 4.641 -0.272 19579 10860 1 17 . 1 1 22 22 SER C C 22 175.328 175.328 172.685 2.643 19579 10861 1 17 . 1 1 22 22 SER CA C 22 58.686 58.686 57.350 1.336 19579 10862 1 17 . 1 1 22 22 SER CB C 22 63.915 63.915 64.494 -0.579 19579 10863 1 17 . 1 1 22 22 SER H H 22 8.118 8.118 8.191 -0.073 19579 10864 1 17 . 1 1 23 23 TYR N N 23 121.490 121.490 120.001 1.489 19579 10865 1 17 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.626 -0.857 19579 10866 1 17 . 1 1 23 23 TYR C C 23 175.890 175.890 174.657 1.233 19579 10867 1 17 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.032 1.692 19579 10868 1 17 . 1 1 23 23 TYR CB C 23 37.863 37.863 38.953 -1.090 19579 10869 1 17 . 1 1 23 23 TYR H H 23 8.620 8.620 7.929 0.691 19579 10870 1 17 . 1 1 24 24 ALA N N 24 121.940 121.940 127.485 -5.545 19579 10871 1 17 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.627 -0.746 19579 10872 1 17 . 1 1 24 24 ALA C C 24 179.366 179.366 177.541 1.825 19579 10873 1 17 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.060 3.333 19579 10874 1 17 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.713 -2.173 19579 10875 1 17 . 1 1 24 24 ALA H H 24 8.127 8.127 9.179 -1.052 19579 10876 1 17 . 1 1 25 25 GLY N N 25 106.527 106.527 108.318 -1.791 19579 10877 1 17 . 1 1 25 25 GLY C C 25 175.074 175.074 175.121 -0.047 19579 10878 1 17 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.486 -0.289 19579 10879 1 17 . 1 1 25 25 GLY H H 25 8.647 8.647 8.332 0.315 19579 10880 1 17 . 1 1 26 26 ALA N N 26 122.752 122.752 123.042 -0.290 19579 10881 1 17 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.407 -0.381 19579 10882 1 17 . 1 1 26 26 ALA C C 26 177.490 177.490 179.470 -1.980 19579 10883 1 17 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.394 0.142 19579 10884 1 17 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.488 0.488 19579 10885 1 17 . 1 1 26 26 ALA H H 26 7.552 7.552 8.364 -0.812 19579 10886 1 17 . 1 1 27 27 VAL N N 27 113.110 113.110 114.603 -1.493 19579 10887 1 17 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.832 -0.371 19579 10888 1 17 . 1 1 27 27 VAL C C 27 179.366 179.366 177.926 1.440 19579 10889 1 17 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.284 0.280 19579 10890 1 17 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.740 0.355 19579 10891 1 17 . 1 1 27 27 VAL H H 27 7.283 7.283 7.367 -0.084 19579 10892 1 17 . 1 1 28 28 ASN N N 28 119.671 119.671 119.177 0.494 19579 10893 1 17 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.537 -0.182 19579 10894 1 17 . 1 1 28 28 ASN C C 28 177.667 177.667 177.969 -0.302 19579 10895 1 17 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.774 0.317 19579 10896 1 17 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.899 0.421 19579 10897 1 17 . 1 1 28 28 ASN H H 28 8.374 8.374 8.371 0.003 19579 10898 1 17 . 1 1 29 29 ARG N N 29 116.957 116.957 119.550 -2.593 19579 10899 1 17 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.143 -0.025 19579 10900 1 17 . 1 1 29 29 ARG C C 29 177.457 177.457 178.054 -0.597 19579 10901 1 17 . 1 1 29 29 ARG CA C 29 58.695 58.695 58.081 0.614 19579 10902 1 17 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.866 0.271 19579 10903 1 17 . 1 1 29 29 ARG H H 29 7.860 7.860 7.753 0.107 19579 10904 1 17 . 1 1 30 30 LEU N N 30 121.060 121.060 118.397 2.663 19579 10905 1 17 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.165 -0.211 19579 10906 1 17 . 1 1 30 30 LEU C C 30 174.975 174.975 177.291 -2.316 19579 10907 1 17 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.533 0.689 19579 10908 1 17 . 1 1 30 30 LEU CB C 30 40.958 40.958 42.124 -1.167 19579 10909 1 17 . 1 1 30 30 LEU H H 30 7.524 7.524 7.798 -0.274 19579 10910 1 17 . 1 1 31 31 SER N N 31 106.764 106.764 111.660 -4.896 19579 10911 1 17 . 1 1 31 31 SER HA H 31 4.523 4.523 4.457 0.066 19579 10912 1 17 . 1 1 31 31 SER C C 31 174.666 174.666 174.343 0.323 19579 10913 1 17 . 1 1 31 31 SER CA C 31 57.680 57.680 58.394 -0.714 19579 10914 1 17 . 1 1 31 31 SER CB C 31 63.290 63.290 63.067 0.223 19579 10915 1 17 . 1 1 31 31 SER H H 31 7.046 7.046 7.726 -0.680 19579 10916 1 17 . 1 1 32 32 SER N N 32 117.235 117.235 115.921 1.314 19579 10917 1 17 . 1 1 32 32 SER HA H 32 4.383 4.383 4.696 -0.313 19579 10918 1 17 . 1 1 32 32 SER C C 32 174.677 174.677 174.717 -0.040 19579 10919 1 17 . 1 1 32 32 SER CA C 32 58.027 58.027 56.177 1.850 19579 10920 1 17 . 1 1 32 32 SER CB C 32 66.069 66.069 64.445 1.624 19579 10921 1 17 . 1 1 32 32 SER H H 32 7.721 7.721 7.388 0.333 19579 10922 1 17 . 1 1 33 33 ALA N N 33 126.048 126.048 125.405 0.643 19579 10923 1 17 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.109 -0.011 19579 10924 1 17 . 1 1 33 33 ALA C C 33 180.822 180.822 179.771 1.051 19579 10925 1 17 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.911 -0.170 19579 10926 1 17 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.590 -0.561 19579 10927 1 17 . 1 1 33 33 ALA H H 33 8.980 8.980 8.776 0.204 19579 10928 1 17 . 1 1 34 34 GLU N N 34 117.978 117.978 118.935 -0.957 19579 10929 1 17 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.937 -0.002 19579 10930 1 17 . 1 1 34 34 GLU C C 34 178.560 178.560 178.594 -0.034 19579 10931 1 17 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.361 1.013 19579 10932 1 17 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.016 -0.203 19579 10933 1 17 . 1 1 34 34 GLU H H 34 8.993 8.993 8.268 0.725 19579 10934 1 17 . 1 1 35 35 ALA N N 35 123.748 123.748 122.176 1.572 19579 10935 1 17 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.420 -0.369 19579 10936 1 17 . 1 1 35 35 ALA C C 35 179.101 179.101 179.676 -0.575 19579 10937 1 17 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.873 0.546 19579 10938 1 17 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.133 1.151 19579 10939 1 17 . 1 1 35 35 ALA H H 35 7.443 7.443 7.965 -0.522 19579 10940 1 17 . 1 1 36 36 ALA N N 36 118.503 118.503 120.121 -1.618 19579 10941 1 17 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.896 -0.141 19579 10942 1 17 . 1 1 36 36 ALA C C 36 180.745 180.745 179.702 1.043 19579 10943 1 17 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.054 0.487 19579 10944 1 17 . 1 1 36 36 ALA CB C 36 17.026 17.026 17.984 -0.958 19579 10945 1 17 . 1 1 36 36 ALA H H 36 7.484 7.484 7.830 -0.346 19579 10946 1 17 . 1 1 37 37 SER N N 37 114.688 114.688 113.915 0.773 19579 10947 1 17 . 1 1 37 37 SER HA H 37 4.170 4.170 4.262 -0.092 19579 10948 1 17 . 1 1 37 37 SER C C 37 177.214 177.214 176.805 0.409 19579 10949 1 17 . 1 1 37 37 SER CA C 37 61.628 61.628 61.029 0.599 19579 10950 1 17 . 1 1 37 37 SER CB C 37 62.653 62.653 63.251 -0.598 19579 10951 1 17 . 1 1 37 37 SER H H 37 8.178 8.178 8.045 0.133 19579 10952 1 17 . 1 1 38 38 ARG N N 38 123.817 123.817 120.996 2.821 19579 10953 1 17 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.114 -0.110 19579 10954 1 17 . 1 1 38 38 ARG C C 38 179.564 179.564 177.961 1.603 19579 10955 1 17 . 1 1 38 38 ARG CA C 38 60.657 60.657 58.952 1.705 19579 10956 1 17 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.470 1.343 19579 10957 1 17 . 1 1 38 38 ARG H H 38 7.882 7.882 7.748 0.134 19579 10958 1 17 . 1 1 39 39 VAL N N 39 120.446 120.446 118.305 2.141 19579 10959 1 17 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.785 -0.456 19579 10960 1 17 . 1 1 39 39 VAL C C 39 178.505 178.505 177.872 0.633 19579 10961 1 17 . 1 1 39 39 VAL CA C 39 68.194 68.194 65.609 2.585 19579 10962 1 17 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.660 -0.090 19579 10963 1 17 . 1 1 39 39 VAL H H 39 8.543 8.543 8.371 0.172 19579 10964 1 17 . 1 1 40 40 SER N N 40 114.009 114.009 114.465 -0.456 19579 10965 1 17 . 1 1 40 40 SER HA H 40 4.080 4.080 4.018 0.062 19579 10966 1 17 . 1 1 40 40 SER C C 40 176.340 176.340 176.426 -0.086 19579 10967 1 17 . 1 1 40 40 SER CA C 40 62.940 62.940 61.971 0.969 19579 10968 1 17 . 1 1 40 40 SER CB C 40 62.953 62.953 62.474 0.479 19579 10969 1 17 . 1 1 40 40 SER H H 40 8.602 8.602 7.857 0.745 19579 10970 1 17 . 1 1 41 41 SER N N 41 114.648 114.648 115.078 -0.430 19579 10971 1 17 . 1 1 41 41 SER HA H 41 4.333 4.333 4.452 -0.119 19579 10972 1 17 . 1 1 41 41 SER C C 41 174.390 174.390 174.863 -0.473 19579 10973 1 17 . 1 1 41 41 SER CA C 41 60.828 60.828 59.312 1.516 19579 10974 1 17 . 1 1 41 41 SER CB C 41 63.563 63.563 63.060 0.503 19579 10975 1 17 . 1 1 41 41 SER H H 41 8.003 8.003 7.741 0.262 19579 10976 1 17 . 1 1 42 42 ASN N N 42 117.849 117.849 119.095 -1.246 19579 10977 1 17 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.887 0.077 19579 10978 1 17 . 1 1 42 42 ASN C C 42 174.677 174.677 177.634 -2.957 19579 10979 1 17 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.013 1.350 19579 10980 1 17 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.590 1.676 19579 10981 1 17 . 1 1 42 42 ASN H H 42 7.600 7.600 7.877 -0.277 19579 10982 1 17 . 1 1 43 43 ILE N N 43 116.952 116.952 119.266 -2.314 19579 10983 1 17 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.729 -0.058 19579 10984 1 17 . 1 1 43 43 ILE C C 43 176.773 176.773 176.949 -0.176 19579 10985 1 17 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.127 0.100 19579 10986 1 17 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.053 0.357 19579 10987 1 17 . 1 1 43 43 ILE H H 43 7.336 7.336 8.670 -1.334 19579 10988 1 17 . 1 1 44 44 ALA N N 44 122.396 122.396 121.752 0.644 19579 10989 1 17 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.954 0.082 19579 10990 1 17 . 1 1 44 44 ALA C C 44 180.304 180.304 178.627 1.677 19579 10991 1 17 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.647 0.741 19579 10992 1 17 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.110 -0.622 19579 10993 1 17 . 1 1 44 44 ALA H H 44 8.617 8.617 8.361 0.256 19579 10994 1 17 . 1 1 45 45 ALA N N 45 120.804 120.804 121.406 -0.602 19579 10995 1 17 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.197 -0.144 19579 10996 1 17 . 1 1 45 45 ALA C C 45 180.591 180.591 180.155 0.436 19579 10997 1 17 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.542 0.210 19579 10998 1 17 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.628 -0.011 19579 10999 1 17 . 1 1 45 45 ALA H H 45 7.913 7.913 7.748 0.165 19579 11000 1 17 . 1 1 46 46 ILE N N 46 117.637 117.637 119.834 -2.197 19579 11001 1 17 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.804 -0.176 19579 11002 1 17 . 1 1 46 46 ILE C C 46 177.612 177.612 178.342 -0.730 19579 11003 1 17 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.566 -1.287 19579 11004 1 17 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.854 -0.194 19579 11005 1 17 . 1 1 46 46 ILE H H 46 7.313 7.313 7.506 -0.193 19579 11006 1 17 . 1 1 47 47 ALA N N 47 121.493 121.493 121.696 -0.203 19579 11007 1 17 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.161 -0.217 19579 11008 1 17 . 1 1 47 47 ALA C C 47 178.538 178.538 178.299 0.239 19579 11009 1 17 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.211 1.176 19579 11010 1 17 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.402 0.577 19579 11011 1 17 . 1 1 47 47 ALA H H 47 8.413 8.413 8.418 -0.005 19579 11012 1 17 . 1 1 48 48 SER N N 48 109.024 109.024 113.049 -4.025 19579 11013 1 17 . 1 1 48 48 SER HA H 48 4.352 4.352 4.620 -0.268 19579 11014 1 17 . 1 1 48 48 SER C C 48 176.056 176.056 174.444 1.612 19579 11015 1 17 . 1 1 48 48 SER CA C 48 59.977 59.977 59.366 0.611 19579 11016 1 17 . 1 1 48 48 SER CB C 48 63.838 63.838 64.318 -0.480 19579 11017 1 17 . 1 1 48 48 SER H H 48 8.030 8.030 7.513 0.517 19579 11018 1 17 . 1 1 49 49 GLY N N 49 108.121 108.121 108.111 0.010 19579 11019 1 17 . 1 1 49 49 GLY C C 49 174.820 174.820 174.551 0.269 19579 11020 1 17 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.444 -0.251 19579 11021 1 17 . 1 1 49 49 GLY H H 49 8.048 8.048 7.777 0.271 19579 11022 1 17 . 1 1 50 50 GLY N N 50 111.955 111.955 108.730 3.225 19579 11023 1 17 . 1 1 50 50 GLY C C 50 174.975 174.975 174.235 0.740 19579 11024 1 17 . 1 1 50 50 GLY CA C 50 46.182 46.182 45.933 0.249 19579 11025 1 17 . 1 1 50 50 GLY H H 50 8.409 8.409 8.398 0.011 19579 11026 1 17 . 1 1 51 51 ALA N N 51 126.247 126.247 122.306 3.941 19579 11027 1 17 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.545 -0.726 19579 11028 1 17 . 1 1 51 51 ALA C C 51 179.697 179.697 178.920 0.777 19579 11029 1 17 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.100 2.960 19579 11030 1 17 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.230 -0.951 19579 11031 1 17 . 1 1 51 51 ALA H H 51 9.119 9.119 7.838 1.281 19579 11032 1 17 . 1 1 52 52 SER N N 52 111.975 111.975 115.550 -3.575 19579 11033 1 17 . 1 1 52 52 SER HA H 52 4.222 4.222 4.316 -0.094 19579 11034 1 17 . 1 1 52 52 SER C C 52 174.983 174.983 174.946 0.037 19579 11035 1 17 . 1 1 52 52 SER CA C 52 60.814 60.814 60.126 0.688 19579 11036 1 17 . 1 1 52 52 SER CB C 52 62.977 62.977 62.969 0.008 19579 11037 1 17 . 1 1 52 52 SER H H 52 8.231 8.231 8.475 -0.244 19579 11038 1 17 . 1 1 53 53 ALA N N 53 122.484 122.484 121.698 0.786 19579 11039 1 17 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.244 0.158 19579 11040 1 17 . 1 1 53 53 ALA C C 53 177.391 177.391 178.937 -1.546 19579 11041 1 17 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.360 -1.233 19579 11042 1 17 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.602 1.344 19579 11043 1 17 . 1 1 53 53 ALA H H 53 7.602 7.602 8.015 -0.413 19579 11044 1 17 . 1 1 54 54 LEU N N 54 117.414 117.414 120.391 -2.977 19579 11045 1 17 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.084 -0.205 19579 11046 1 17 . 1 1 54 54 LEU C C 54 174.434 174.434 175.876 -1.442 19579 11047 1 17 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.094 0.220 19579 11048 1 17 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.539 0.081 19579 11049 1 17 . 1 1 54 54 LEU H H 54 7.408 7.408 7.662 -0.254 19579 11050 1 17 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.309 -0.118 19579 11051 1 17 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.078 1.856 19579 11052 1 17 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.232 -0.182 19579 11053 1 17 . 1 1 56 56 SER N N 56 113.559 113.559 112.639 0.920 19579 11054 1 17 . 1 1 56 56 SER HA H 56 4.234 4.234 4.411 -0.177 19579 11055 1 17 . 1 1 56 56 SER C C 56 176.552 176.552 175.950 0.602 19579 11056 1 17 . 1 1 56 56 SER CA C 56 61.233 61.233 60.946 0.288 19579 11057 1 17 . 1 1 56 56 SER CB C 56 62.733 62.733 64.209 -1.476 19579 11058 1 17 . 1 1 56 56 SER H H 56 7.834 7.834 7.494 0.340 19579 11059 1 17 . 1 1 57 57 VAL N N 57 123.292 123.292 122.400 0.892 19579 11060 1 17 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.074 -0.331 19579 11061 1 17 . 1 1 57 57 VAL C C 57 178.042 178.042 177.852 0.190 19579 11062 1 17 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.485 0.975 19579 11063 1 17 . 1 1 57 57 VAL CB C 57 31.768 31.768 31.916 -0.148 19579 11064 1 17 . 1 1 57 57 VAL H H 57 8.263 8.263 8.185 0.078 19579 11065 1 17 . 1 1 58 58 ILE N N 58 118.510 118.510 120.197 -1.687 19579 11066 1 17 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.695 -0.011 19579 11067 1 17 . 1 1 58 58 ILE C C 58 176.221 176.221 178.295 -2.074 19579 11068 1 17 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.225 -1.143 19579 11069 1 17 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.575 -0.226 19579 11070 1 17 . 1 1 58 58 ILE H H 58 8.873 8.873 8.286 0.587 19579 11071 1 17 . 1 1 59 59 SER N N 59 114.238 114.238 112.510 1.728 19579 11072 1 17 . 1 1 59 59 SER HA H 59 4.305 4.305 4.621 -0.316 19579 11073 1 17 . 1 1 59 59 SER C C 59 177.534 177.534 175.917 1.617 19579 11074 1 17 . 1 1 59 59 SER CA C 59 61.586 61.586 60.261 1.325 19579 11075 1 17 . 1 1 59 59 SER CB C 59 62.951 62.951 63.378 -0.427 19579 11076 1 17 . 1 1 59 59 SER H H 59 7.388 7.388 8.715 -1.327 19579 11077 1 17 . 1 1 60 60 ASN N N 60 120.810 120.810 120.532 0.278 19579 11078 1 17 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.662 -0.302 19579 11079 1 17 . 1 1 60 60 ASN C C 60 178.616 178.616 177.399 1.217 19579 11080 1 17 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.520 1.195 19579 11081 1 17 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.832 0.164 19579 11082 1 17 . 1 1 60 60 ASN H H 60 8.147 8.147 7.700 0.447 19579 11083 1 17 . 1 1 61 61 ILE N N 61 121.116 121.116 120.935 0.181 19579 11084 1 17 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.680 -0.159 19579 11085 1 17 . 1 1 61 61 ILE C C 61 176.972 176.972 177.556 -0.584 19579 11086 1 17 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.134 1.428 19579 11087 1 17 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.098 0.908 19579 11088 1 17 . 1 1 61 61 ILE H H 61 8.642 8.642 7.913 0.729 19579 11089 1 17 . 1 1 62 62 TYR N N 62 119.953 119.953 120.438 -0.485 19579 11090 1 17 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.946 -0.323 19579 11091 1 17 . 1 1 62 62 TYR C C 62 176.828 176.828 177.453 -0.625 19579 11092 1 17 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.781 1.302 19579 11093 1 17 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.148 0.827 19579 11094 1 17 . 1 1 62 62 TYR H H 62 9.192 9.192 7.940 1.252 19579 11095 1 17 . 1 1 63 63 SER N N 63 111.464 111.464 113.897 -2.433 19579 11096 1 17 . 1 1 63 63 SER HA H 63 4.035 4.035 4.170 -0.135 19579 11097 1 17 . 1 1 63 63 SER C C 63 177.325 177.325 177.065 0.260 19579 11098 1 17 . 1 1 63 63 SER CA C 63 62.027 62.027 61.252 0.775 19579 11099 1 17 . 1 1 63 63 SER CB C 63 62.565 62.565 62.360 0.205 19579 11100 1 17 . 1 1 63 63 SER H H 63 8.320 8.320 7.953 0.367 19579 11101 1 17 . 1 1 64 64 GLY N N 64 110.383 110.383 108.749 1.634 19579 11102 1 17 . 1 1 64 64 GLY C C 64 175.581 175.581 175.330 0.251 19579 11103 1 17 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.588 0.726 19579 11104 1 17 . 1 1 64 64 GLY H H 64 7.724 7.724 7.433 0.291 19579 11105 1 17 . 1 1 65 65 VAL N N 65 124.665 124.665 120.901 3.764 19579 11106 1 17 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.642 -0.398 19579 11107 1 17 . 1 1 65 65 VAL C C 65 180.072 180.072 178.138 1.934 19579 11108 1 17 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.569 1.435 19579 11109 1 17 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.866 -0.159 19579 11110 1 17 . 1 1 65 65 VAL H H 65 8.584 8.584 7.210 1.374 19579 11111 1 17 . 1 1 66 66 VAL N N 66 120.803 120.803 119.148 1.655 19579 11112 1 17 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.527 0.196 19579 11113 1 17 . 1 1 66 66 VAL C C 66 179.829 179.829 176.914 2.915 19579 11114 1 17 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.647 0.568 19579 11115 1 17 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.489 0.266 19579 11116 1 17 . 1 1 66 66 VAL H H 66 8.305 8.305 7.630 0.675 19579 11117 1 17 . 1 1 67 67 ALA N N 67 123.266 123.266 120.185 3.081 19579 11118 1 17 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.177 -0.013 19579 11119 1 17 . 1 1 67 67 ALA C C 67 178.560 178.560 178.582 -0.022 19579 11120 1 17 . 1 1 67 67 ALA CA C 67 54.424 54.424 53.982 0.442 19579 11121 1 17 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.379 -0.368 19579 11122 1 17 . 1 1 67 67 ALA H H 67 7.979 7.979 7.667 0.312 19579 11123 1 17 . 1 1 68 68 SER N N 68 112.669 112.669 114.107 -1.438 19579 11124 1 17 . 1 1 68 68 SER HA H 68 4.436 4.436 4.405 0.031 19579 11125 1 17 . 1 1 68 68 SER C C 68 174.555 174.555 174.945 -0.390 19579 11126 1 17 . 1 1 68 68 SER CA C 68 59.634 59.634 58.822 0.812 19579 11127 1 17 . 1 1 68 68 SER CB C 68 63.943 63.943 63.876 0.067 19579 11128 1 17 . 1 1 68 68 SER H H 68 7.674 7.674 7.762 -0.088 19579 11129 1 17 . 1 1 69 69 GLY N N 69 109.146 109.146 109.244 -0.098 19579 11130 1 17 . 1 1 69 69 GLY C C 69 173.904 173.904 173.796 0.108 19579 11131 1 17 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.724 0.507 19579 11132 1 17 . 1 1 69 69 GLY H H 69 7.939 7.939 7.493 0.446 19579 11133 1 17 . 1 1 70 70 VAL N N 70 119.926 119.926 119.437 0.489 19579 11134 1 17 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.391 -0.481 19579 11135 1 17 . 1 1 70 70 VAL C C 70 174.997 174.997 175.813 -0.816 19579 11136 1 17 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.891 1.393 19579 11137 1 17 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.649 -1.225 19579 11138 1 17 . 1 1 70 70 VAL H H 70 6.723 6.723 7.567 -0.844 19579 11139 1 17 . 1 1 71 71 SER N N 71 120.581 120.581 118.575 2.006 19579 11140 1 17 . 1 1 71 71 SER HA H 71 4.386 4.386 4.413 -0.027 19579 11141 1 17 . 1 1 71 71 SER C C 71 175.559 175.559 175.419 0.140 19579 11142 1 17 . 1 1 71 71 SER CA C 71 58.441 58.441 57.766 0.676 19579 11143 1 17 . 1 1 71 71 SER CB C 71 64.632 64.632 64.393 0.239 19579 11144 1 17 . 1 1 71 71 SER H H 71 8.577 8.577 8.446 0.131 19579 11145 1 17 . 1 1 72 72 SER N N 72 117.898 117.898 119.622 -1.724 19579 11146 1 17 . 1 1 72 72 SER HA H 72 4.083 4.083 4.172 -0.089 19579 11147 1 17 . 1 1 72 72 SER C C 72 176.255 176.255 176.216 0.039 19579 11148 1 17 . 1 1 72 72 SER CA C 72 61.586 61.586 61.600 -0.014 19579 11149 1 17 . 1 1 72 72 SER CB C 72 62.622 62.622 63.297 -0.675 19579 11150 1 17 . 1 1 72 72 SER H H 72 8.889 8.889 8.773 0.116 19579 11151 1 17 . 1 1 73 73 ASN N N 73 118.976 118.976 118.589 0.387 19579 11152 1 17 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.389 0.268 19579 11153 1 17 . 1 1 73 73 ASN C C 73 176.506 176.506 177.337 -0.831 19579 11154 1 17 . 1 1 73 73 ASN CA C 73 56.061 56.061 56.030 0.031 19579 11155 1 17 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.429 -0.429 19579 11156 1 17 . 1 1 73 73 ASN H H 73 8.519 8.519 8.199 0.320 19579 11157 1 17 . 1 1 74 74 GLU N N 74 118.543 118.543 118.710 -0.167 19579 11158 1 17 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.223 -0.113 19579 11159 1 17 . 1 1 74 74 GLU C C 74 176.994 176.994 177.991 -0.997 19579 11160 1 17 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.525 -0.499 19579 11161 1 17 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.498 1.865 19579 11162 1 17 . 1 1 74 74 GLU H H 74 7.768 7.768 7.776 -0.008 19579 11163 1 17 . 1 1 75 75 ALA N N 75 121.901 121.901 124.075 -2.174 19579 11164 1 17 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.015 -0.325 19579 11165 1 17 . 1 1 75 75 ALA C C 75 178.318 178.318 179.540 -1.222 19579 11166 1 17 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.232 -0.004 19579 11167 1 17 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.207 0.434 19579 11168 1 17 . 1 1 75 75 ALA H H 75 8.069 8.069 8.356 -0.287 19579 11169 1 17 . 1 1 76 76 LEU N N 76 117.360 117.360 119.659 -2.299 19579 11170 1 17 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.200 -0.090 19579 11171 1 17 . 1 1 76 76 LEU C C 76 177.854 177.854 178.786 -0.932 19579 11172 1 17 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.887 0.127 19579 11173 1 17 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.025 -1.257 19579 11174 1 17 . 1 1 76 76 LEU H H 76 8.121 8.121 7.779 0.342 19579 11175 1 17 . 1 1 77 77 ILE N N 77 116.714 116.714 118.910 -2.196 19579 11176 1 17 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.615 -0.163 19579 11177 1 17 . 1 1 77 77 ILE C C 77 176.883 176.883 178.210 -1.327 19579 11178 1 17 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.750 -0.492 19579 11179 1 17 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.766 -0.024 19579 11180 1 17 . 1 1 77 77 ILE H H 77 7.607 7.607 7.378 0.229 19579 11181 1 17 . 1 1 78 78 GLN N N 78 119.338 119.338 120.247 -0.909 19579 11182 1 17 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.933 -0.301 19579 11183 1 17 . 1 1 78 78 GLN C C 78 177.521 177.521 178.125 -0.604 19579 11184 1 17 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.019 1.301 19579 11185 1 17 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.143 0.032 19579 11186 1 17 . 1 1 78 78 GLN H H 78 8.119 8.119 8.685 -0.566 19579 11187 1 17 . 1 1 79 79 ALA N N 79 119.218 119.218 121.710 -2.492 19579 11188 1 17 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.053 -0.181 19579 11189 1 17 . 1 1 79 79 ALA C C 79 179.311 179.311 180.016 -0.705 19579 11190 1 17 . 1 1 79 79 ALA CA C 79 54.825 54.825 54.984 -0.159 19579 11191 1 17 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.286 -0.467 19579 11192 1 17 . 1 1 79 79 ALA H H 79 8.639 8.639 7.707 0.932 19579 11193 1 17 . 1 1 80 80 LEU N N 80 116.262 116.262 119.231 -2.969 19579 11194 1 17 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.073 -0.174 19579 11195 1 17 . 1 1 80 80 LEU C C 80 178.914 178.914 179.071 -0.157 19579 11196 1 17 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.559 0.452 19579 11197 1 17 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.320 0.295 19579 11198 1 17 . 1 1 80 80 LEU H H 80 8.450 8.450 7.807 0.643 19579 11199 1 17 . 1 1 81 81 LEU N N 81 118.995 118.995 119.480 -0.485 19579 11200 1 17 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.936 0.036 19579 11201 1 17 . 1 1 81 81 LEU C C 81 180.127 180.127 179.514 0.613 19579 11202 1 17 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.344 -0.361 19579 11203 1 17 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.213 1.330 19579 11204 1 17 . 1 1 81 81 LEU H H 81 8.151 8.151 8.547 -0.396 19579 11205 1 17 . 1 1 82 82 GLU N N 82 124.890 124.890 119.358 5.532 19579 11206 1 17 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.180 -0.547 19579 11207 1 17 . 1 1 82 82 GLU C C 82 178.505 178.505 179.109 -0.604 19579 11208 1 17 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.733 2.567 19579 11209 1 17 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.530 0.249 19579 11210 1 17 . 1 1 82 82 GLU H H 82 8.659 8.659 8.214 0.445 19579 11211 1 17 . 1 1 83 83 LEU N N 83 121.487 121.487 121.250 0.237 19579 11212 1 17 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.195 -0.375 19579 11213 1 17 . 1 1 83 83 LEU C C 83 178.163 178.163 178.691 -0.528 19579 11214 1 17 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.470 0.685 19579 11215 1 17 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.673 -0.039 19579 11216 1 17 . 1 1 83 83 LEU H H 83 8.658 8.658 7.711 0.947 19579 11217 1 17 . 1 1 84 84 LEU N N 84 118.904 118.904 119.891 -0.987 19579 11218 1 17 . 1 1 84 84 LEU HA H 84 3.786 3.786 3.997 -0.211 19579 11219 1 17 . 1 1 84 84 LEU C C 84 178.064 178.064 179.498 -1.434 19579 11220 1 17 . 1 1 84 84 LEU CA C 84 58.663 58.663 58.212 0.451 19579 11221 1 17 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.860 1.345 19579 11222 1 17 . 1 1 84 84 LEU H H 84 8.803 8.803 8.721 0.082 19579 11223 1 17 . 1 1 85 85 SER N N 85 114.347 114.347 114.037 0.310 19579 11224 1 17 . 1 1 85 85 SER HA H 85 4.211 4.211 4.298 -0.087 19579 11225 1 17 . 1 1 85 85 SER C C 85 174.633 174.633 176.422 -1.789 19579 11226 1 17 . 1 1 85 85 SER CA C 85 62.957 62.957 61.509 1.448 19579 11227 1 17 . 1 1 85 85 SER CB C 85 62.947 62.947 62.964 -0.017 19579 11228 1 17 . 1 1 85 85 SER H H 85 7.879 7.879 8.395 -0.516 19579 11229 1 17 . 1 1 86 86 ALA N N 86 124.206 124.206 125.634 -1.428 19579 11230 1 17 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.129 -0.359 19579 11231 1 17 . 1 1 86 86 ALA C C 86 178.538 178.538 179.542 -1.004 19579 11232 1 17 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.138 0.228 19579 11233 1 17 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.617 -1.273 19579 11234 1 17 . 1 1 86 86 ALA H H 86 8.199 8.199 7.253 0.946 19579 11235 1 17 . 1 1 87 87 LEU N N 87 116.463 116.463 114.988 1.475 19579 11236 1 17 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.334 -0.513 19579 11237 1 17 . 1 1 87 87 LEU C C 87 178.709 178.709 178.490 0.219 19579 11238 1 17 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.366 0.988 19579 11239 1 17 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.693 1.901 19579 11240 1 17 . 1 1 87 87 LEU H H 87 8.140 8.140 7.594 0.546 19579 11241 1 17 . 1 1 88 88 VAL N N 88 118.854 118.854 120.080 -1.226 19579 11242 1 17 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.678 -0.275 19579 11243 1 17 . 1 1 88 88 VAL C C 88 177.766 177.766 178.284 -0.518 19579 11244 1 17 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.411 0.254 19579 11245 1 17 . 1 1 88 88 VAL CB C 88 31.447 31.447 30.667 0.780 19579 11246 1 17 . 1 1 88 88 VAL H H 88 8.716 8.716 7.714 1.002 19579 11247 1 17 . 1 1 89 89 HIS N N 89 121.227 121.227 119.657 1.570 19579 11248 1 17 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.370 -0.331 19579 11249 1 17 . 1 1 89 89 HIS C C 89 178.880 178.880 178.070 0.810 19579 11250 1 17 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.903 1.419 19579 11251 1 17 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.188 1.560 19579 11252 1 17 . 1 1 89 89 HIS H H 89 8.664 8.664 7.724 0.940 19579 11253 1 17 . 1 1 90 90 VAL N N 90 118.094 118.094 118.786 -0.692 19579 11254 1 17 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.894 -0.327 19579 11255 1 17 . 1 1 90 90 VAL C C 90 177.733 177.733 177.266 0.467 19579 11256 1 17 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.622 1.208 19579 11257 1 17 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.041 0.559 19579 11258 1 17 . 1 1 90 90 VAL H H 90 7.994 7.994 7.611 0.383 19579 11259 1 17 . 1 1 91 91 LEU N N 91 119.672 119.672 120.862 -1.190 19579 11260 1 17 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.128 -0.296 19579 11261 1 17 . 1 1 91 91 LEU C C 91 178.869 178.869 179.107 -0.238 19579 11262 1 17 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.663 0.095 19579 11263 1 17 . 1 1 91 91 LEU CB C 91 41.939 41.939 39.976 1.963 19579 11264 1 17 . 1 1 91 91 LEU H H 91 8.393 8.393 7.976 0.417 19579 11265 1 17 . 1 1 92 92 SER N N 92 113.554 113.554 113.514 0.040 19579 11266 1 17 . 1 1 92 92 SER HA H 92 4.297 4.297 4.257 0.040 19579 11267 1 17 . 1 1 92 92 SER C C 92 174.500 174.500 175.606 -1.106 19579 11268 1 17 . 1 1 92 92 SER CA C 92 61.410 61.410 60.560 0.850 19579 11269 1 17 . 1 1 92 92 SER CB C 92 63.254 63.254 63.070 0.184 19579 11270 1 17 . 1 1 92 92 SER H H 92 7.900 7.900 7.642 0.258 19579 11271 1 17 . 1 1 93 93 SER N N 93 115.055 115.055 115.507 -0.452 19579 11272 1 17 . 1 1 93 93 SER HA H 93 4.704 4.704 4.619 0.085 19579 11273 1 17 . 1 1 93 93 SER C C 93 173.044 173.044 175.245 -2.201 19579 11274 1 17 . 1 1 93 93 SER CA C 93 57.967 57.967 58.786 -0.819 19579 11275 1 17 . 1 1 93 93 SER CB C 93 64.574 64.574 63.825 0.749 19579 11276 1 17 . 1 1 93 93 SER H H 93 7.420 7.420 7.557 -0.137 19579 11277 1 17 . 1 1 94 94 ALA N N 94 124.504 124.504 125.549 -1.045 19579 11278 1 17 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.223 0.406 19579 11279 1 17 . 1 1 94 94 ALA C C 94 176.199 176.199 177.239 -1.040 19579 11280 1 17 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.319 -1.850 19579 11281 1 17 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.847 2.773 19579 11282 1 17 . 1 1 94 94 ALA H H 94 7.476 7.476 7.400 0.076 19579 11283 1 17 . 1 1 95 95 SER N N 95 115.739 115.739 111.986 3.753 19579 11284 1 17 . 1 1 95 95 SER HA H 95 4.758 4.758 4.098 0.660 19579 11285 1 17 . 1 1 95 95 SER C C 95 174.136 174.136 174.231 -0.095 19579 11286 1 17 . 1 1 95 95 SER CA C 95 57.343 57.343 58.817 -1.474 19579 11287 1 17 . 1 1 95 95 SER CB C 95 63.303 63.303 60.893 2.410 19579 11288 1 17 . 1 1 95 95 SER H H 95 8.483 8.483 7.832 0.651 19579 11289 1 17 . 1 1 96 96 ILE N N 96 128.288 128.288 121.044 7.244 19579 11290 1 17 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.102 -0.109 19579 11291 1 17 . 1 1 96 96 ILE C C 96 175.868 175.868 177.040 -1.172 19579 11292 1 17 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.426 -1.064 19579 11293 1 17 . 1 1 96 96 ILE CB C 96 38.613 38.613 38.982 -0.369 19579 11294 1 17 . 1 1 96 96 ILE H H 96 8.869 8.869 8.005 0.864 19579 11295 1 17 . 1 1 97 97 GLY N N 97 115.495 115.495 115.994 -0.499 19579 11296 1 17 . 1 1 97 97 GLY C C 97 173.022 173.022 173.052 -0.030 19579 11297 1 17 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.247 -0.377 19579 11298 1 17 . 1 1 97 97 GLY H H 97 8.272 8.272 8.433 -0.161 19579 11299 1 17 . 1 1 98 98 ASN N N 98 120.819 120.819 119.427 1.392 19579 11300 1 17 . 1 1 98 98 ASN HA H 98 4.648 4.648 5.057 -0.409 19579 11301 1 17 . 1 1 98 98 ASN C C 98 174.809 174.809 174.706 0.103 19579 11302 1 17 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.669 0.757 19579 11303 1 17 . 1 1 98 98 ASN CB C 98 38.665 38.665 41.102 -2.437 19579 11304 1 17 . 1 1 98 98 ASN H H 98 8.420 8.420 8.331 0.089 19579 11305 1 17 . 1 1 99 99 VAL N N 99 122.960 122.960 123.892 -0.932 19579 11306 1 17 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.273 -0.099 19579 11307 1 17 . 1 1 99 99 VAL C C 99 174.500 174.500 175.691 -1.191 19579 11308 1 17 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.810 -0.442 19579 11309 1 17 . 1 1 99 99 VAL CB C 99 33.406 33.406 33.749 -0.343 19579 11310 1 17 . 1 1 99 99 VAL H H 99 8.292 8.292 8.356 -0.064 19579 11311 1 17 . 1 1 100 100 SER N N 100 120.723 120.723 122.266 -1.543 19579 11312 1 17 . 1 1 100 100 SER HA H 100 4.756 4.756 4.603 0.153 19579 11313 1 17 . 1 1 100 100 SER C C 100 174.235 174.235 175.051 -0.816 19579 11314 1 17 . 1 1 100 100 SER CA C 100 56.687 56.687 58.363 -1.676 19579 11315 1 17 . 1 1 100 100 SER CB C 100 64.904 64.904 63.797 1.107 19579 11316 1 17 . 1 1 100 100 SER H H 100 8.644 8.644 8.694 -0.050 19579 11317 1 17 . 1 1 101 101 SER N N 101 117.236 117.236 124.080 -6.844 19579 11318 1 17 . 1 1 101 101 SER HA H 101 4.130 4.130 4.487 -0.357 19579 11319 1 17 . 1 1 101 101 SER CA C 101 59.000 59.000 58.371 0.629 19579 11320 1 17 . 1 1 101 101 SER CB C 101 63.104 63.104 62.304 0.799 19579 11321 1 17 . 1 1 102 102 VAL N N 102 124.874 124.874 121.616 3.258 19579 11322 1 17 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.240 -0.419 19579 11323 1 17 . 1 1 102 102 VAL C C 102 177.545 177.545 176.692 0.853 19579 11324 1 17 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.012 2.570 19579 11325 1 17 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.950 -1.470 19579 11326 1 17 . 1 1 102 102 VAL H H 102 8.090 8.090 8.264 -0.174 19579 11327 1 17 . 1 1 103 103 GLY N N 103 114.589 114.589 114.705 -0.116 19579 11328 1 17 . 1 1 103 103 GLY C C 103 176.387 176.387 175.441 0.946 19579 11329 1 17 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.086 0.600 19579 11330 1 17 . 1 1 103 103 GLY H H 103 9.051 9.051 8.727 0.324 19579 11331 1 17 . 1 1 104 104 VAL N N 104 121.976 121.976 120.446 1.530 19579 11332 1 17 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.552 -0.204 19579 11333 1 17 . 1 1 104 104 VAL C C 104 176.045 176.045 177.017 -0.972 19579 11334 1 17 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.432 1.457 19579 11335 1 17 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.771 -0.506 19579 11336 1 17 . 1 1 104 104 VAL H H 104 7.753 7.753 8.123 -0.370 19579 11337 1 17 . 1 1 105 105 ASP N N 105 117.868 117.868 119.064 -1.196 19579 11338 1 17 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.289 -0.138 19579 11339 1 17 . 1 1 105 105 ASP C C 105 178.406 178.406 178.110 0.296 19579 11340 1 17 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.595 -0.885 19579 11341 1 17 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.578 -1.926 19579 11342 1 17 . 1 1 105 105 ASP H H 105 8.719 8.719 8.697 0.022 19579 11343 1 17 . 1 1 106 106 SER N N 106 117.500 117.500 112.919 4.581 19579 11344 1 17 . 1 1 106 106 SER HA H 106 4.306 4.306 4.273 0.033 19579 11345 1 17 . 1 1 106 106 SER C C 106 176.784 176.784 176.169 0.615 19579 11346 1 17 . 1 1 106 106 SER CA C 106 61.523 61.523 61.000 0.523 19579 11347 1 17 . 1 1 106 106 SER CB C 106 62.480 62.480 62.902 -0.422 19579 11348 1 17 . 1 1 106 106 SER H H 106 7.685 7.685 7.684 0.001 19579 11349 1 17 . 1 1 107 107 THR N N 107 121.741 121.741 118.509 3.232 19579 11350 1 17 . 1 1 107 107 THR HA H 107 4.373 4.373 4.139 0.234 19579 11351 1 17 . 1 1 107 107 THR C C 107 176.227 176.227 176.866 -0.639 19579 11352 1 17 . 1 1 107 107 THR CA C 107 66.648 66.648 66.110 0.538 19579 11353 1 17 . 1 1 107 107 THR CB C 107 66.884 66.884 68.834 -1.950 19579 11354 1 17 . 1 1 107 107 THR H H 107 8.024 8.024 7.302 0.722 19579 11355 1 17 . 1 1 108 108 LEU N N 108 122.175 122.175 122.097 0.078 19579 11356 1 17 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.909 0.007 19579 11357 1 17 . 1 1 108 108 LEU C C 108 178.560 178.560 178.158 0.402 19579 11358 1 17 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.973 1.196 19579 11359 1 17 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.214 -0.185 19579 11360 1 17 . 1 1 108 108 LEU H H 108 8.475 8.475 8.446 0.029 19579 11361 1 17 . 1 1 109 109 ASN N N 109 116.499 116.499 117.019 -0.520 19579 11362 1 17 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.594 -0.108 19579 11363 1 17 . 1 1 109 109 ASN C C 109 177.181 177.181 177.249 -0.068 19579 11364 1 17 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.690 0.809 19579 11365 1 17 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.805 0.180 19579 11366 1 17 . 1 1 109 109 ASN H H 109 7.567 7.567 7.715 -0.148 19579 11367 1 17 . 1 1 110 110 VAL N N 110 121.382 121.382 119.914 1.468 19579 11368 1 17 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.789 0.088 19579 11369 1 17 . 1 1 110 110 VAL C C 110 180.116 180.116 177.867 2.249 19579 11370 1 17 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.445 -0.209 19579 11371 1 17 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.802 -0.242 19579 11372 1 17 . 1 1 110 110 VAL H H 110 7.978 7.978 7.712 0.266 19579 11373 1 17 . 1 1 111 111 VAL N N 111 123.748 123.748 120.596 3.152 19579 11374 1 17 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.990 -0.632 19579 11375 1 17 . 1 1 111 111 VAL C C 111 177.424 177.424 177.344 0.080 19579 11376 1 17 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.372 3.810 19579 11377 1 17 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.889 -0.783 19579 11378 1 17 . 1 1 111 111 VAL H H 111 8.228 8.228 7.484 0.744 19579 11379 1 17 . 1 1 112 112 GLN N N 112 120.331 120.331 119.005 1.326 19579 11380 1 17 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.893 -0.295 19579 11381 1 17 . 1 1 112 112 GLN C C 112 178.329 178.329 177.881 0.448 19579 11382 1 17 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.379 0.930 19579 11383 1 17 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.405 1.736 19579 11384 1 17 . 1 1 112 112 GLN H H 112 8.719 8.719 7.689 1.030 19579 11385 1 17 . 1 1 113 113 ASP N N 113 117.931 117.931 117.360 0.571 19579 11386 1 17 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.491 -0.141 19579 11387 1 17 . 1 1 113 113 ASP C C 113 178.406 178.406 177.984 0.422 19579 11388 1 17 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.503 0.526 19579 11389 1 17 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.113 0.181 19579 11390 1 17 . 1 1 113 113 ASP H H 113 8.410 8.410 7.638 0.772 19579 11391 1 17 . 1 1 114 114 SER N N 114 113.798 113.798 114.593 -0.795 19579 11392 1 17 . 1 1 114 114 SER HA H 114 4.310 4.310 4.350 -0.040 19579 11393 1 17 . 1 1 114 114 SER C C 114 175.416 175.416 176.468 -1.052 19579 11394 1 17 . 1 1 114 114 SER CA C 114 61.981 61.981 61.002 0.979 19579 11395 1 17 . 1 1 114 114 SER CB C 114 63.618 63.618 64.037 -0.419 19579 11396 1 17 . 1 1 114 114 SER H H 114 7.973 7.973 7.594 0.379 19579 11397 1 17 . 1 1 115 115 VAL N N 115 115.306 115.306 120.792 -5.486 19579 11398 1 17 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.459 -0.252 19579 11399 1 17 . 1 1 115 115 VAL C C 115 177.325 177.325 176.849 0.476 19579 11400 1 17 . 1 1 115 115 VAL CA C 115 63.264 63.264 60.854 2.410 19579 11401 1 17 . 1 1 115 115 VAL CB C 115 32.367 32.367 31.776 0.591 19579 11402 1 17 . 1 1 115 115 VAL H H 115 8.090 8.090 7.791 0.299 19579 11403 1 17 . 1 1 116 116 GLY N N 116 107.952 107.952 109.709 -1.757 19579 11404 1 17 . 1 1 116 116 GLY C C 116 175.129 175.129 174.879 0.250 19579 11405 1 17 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.715 0.115 19579 11406 1 17 . 1 1 116 116 GLY H H 116 7.991 7.991 7.895 0.096 19579 11407 1 17 . 1 1 117 117 GLN N N 117 116.191 116.191 117.867 -1.676 19579 11408 1 17 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.998 0.055 19579 11409 1 17 . 1 1 117 117 GLN C C 117 176.056 176.056 176.221 -0.165 19579 11410 1 17 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.169 -0.113 19579 11411 1 17 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.652 0.840 19579 11412 1 17 . 1 1 117 117 GLN H H 117 7.721 7.721 8.052 -0.331 19579 11413 1 17 . 1 1 118 118 TYR N N 118 116.504 116.504 117.024 -0.520 19579 11414 1 17 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.428 -0.202 19579 11415 1 17 . 1 1 118 118 TYR C C 118 174.919 174.919 176.986 -2.067 19579 11416 1 17 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.244 -0.593 19579 11417 1 17 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.795 -0.804 19579 11418 1 17 . 1 1 118 118 TYR H H 118 7.685 7.685 8.002 -0.317 19579 11419 1 17 . 1 1 119 119 VAL N N 119 115.145 115.145 115.301 -0.156 19579 11420 1 17 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.086 0.108 19579 11421 1 17 . 1 1 119 119 VAL C C 119 174.666 174.666 176.826 -2.160 19579 11422 1 17 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.737 -1.775 19579 11423 1 17 . 1 1 119 119 VAL CB C 119 32.617 32.617 32.165 0.452 19579 11424 1 17 . 1 1 119 119 VAL H H 119 7.132 7.132 7.593 -0.461 19579 11425 1 18 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.951 -0.075 19579 11426 1 18 . 1 1 -2 -2 ASN N N -2 118.808 118.808 118.529 0.279 19579 11427 1 18 . 1 1 -2 -2 ASN C C -2 175.184 175.184 173.526 1.658 19579 11428 1 18 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.652 0.747 19579 11429 1 18 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.346 -0.039 19579 11430 1 18 . 1 1 2 2 THR N N 2 116.876 116.876 120.410 -3.534 19579 11431 1 18 . 1 1 2 2 THR HA H 2 4.348 4.348 4.706 -0.358 19579 11432 1 18 . 1 1 2 2 THR C C 2 174.600 174.600 173.850 0.750 19579 11433 1 18 . 1 1 2 2 THR CA C 2 61.785 61.785 61.881 -0.096 19579 11434 1 18 . 1 1 2 2 THR CB C 2 69.800 69.800 70.333 -0.533 19579 11435 1 18 . 1 1 2 2 THR H H 2 8.176 8.176 8.343 -0.167 19579 11436 1 18 . 1 1 3 3 SER N N 3 117.968 117.968 116.475 1.493 19579 11437 1 18 . 1 1 3 3 SER C C 3 174.732 174.732 172.620 2.112 19579 11438 1 18 . 1 1 3 3 SER CA C 3 58.585 58.585 57.845 0.740 19579 11439 1 18 . 1 1 3 3 SER H H 3 8.248 8.248 8.343 -0.095 19579 11440 1 18 . 1 1 5 5 GLY N N 5 108.381 108.381 113.313 -4.932 19579 11441 1 18 . 1 1 5 5 GLY C C 5 173.728 173.728 172.472 1.256 19579 11442 1 18 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.589 0.626 19579 11443 1 18 . 1 1 5 5 GLY H H 5 8.134 8.134 7.898 0.236 19579 11444 1 18 . 1 1 6 6 TYR N N 6 120.011 120.011 121.019 -1.008 19579 11445 1 18 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.793 -0.329 19579 11446 1 18 . 1 1 6 6 TYR C C 6 176.232 176.232 175.574 0.658 19579 11447 1 18 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.309 0.866 19579 11448 1 18 . 1 1 6 6 TYR CB C 6 38.764 38.764 40.105 -1.341 19579 11449 1 18 . 1 1 6 6 TYR H H 6 8.096 8.096 8.010 0.086 19579 11450 1 18 . 1 1 7 7 GLY N N 7 110.530 110.530 111.393 -0.863 19579 11451 1 18 . 1 1 7 7 GLY C C 7 173.772 173.772 172.351 1.421 19579 11452 1 18 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.042 0.180 19579 11453 1 18 . 1 1 7 7 GLY H H 7 8.283 8.283 8.273 0.010 19579 11454 1 18 . 1 1 8 8 TYR N N 8 120.132 120.132 117.260 2.872 19579 11455 1 18 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.874 -0.391 19579 11456 1 18 . 1 1 8 8 TYR C C 8 176.420 176.420 175.394 1.026 19579 11457 1 18 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.138 1.196 19579 11458 1 18 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.738 -0.993 19579 11459 1 18 . 1 1 8 8 TYR H H 8 7.987 7.987 7.911 0.076 19579 11460 1 18 . 1 1 9 9 GLY N N 9 110.831 110.831 113.586 -2.755 19579 11461 1 18 . 1 1 9 9 GLY C C 9 174.335 174.335 174.518 -0.183 19579 11462 1 18 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.942 0.507 19579 11463 1 18 . 1 1 9 9 GLY H H 9 8.400 8.400 8.654 -0.254 19579 11464 1 18 . 1 1 10 10 THR N N 10 113.216 113.216 116.358 -3.142 19579 11465 1 18 . 1 1 10 10 THR HA H 10 4.366 4.366 4.582 -0.216 19579 11466 1 18 . 1 1 10 10 THR C C 10 174.721 174.721 174.363 0.358 19579 11467 1 18 . 1 1 10 10 THR CA C 10 61.829 61.829 61.563 0.266 19579 11468 1 18 . 1 1 10 10 THR CB C 10 69.881 69.881 68.781 1.100 19579 11469 1 18 . 1 1 10 10 THR H H 10 8.012 8.012 8.371 -0.359 19579 11470 1 18 . 1 1 11 11 SER N N 11 117.904 117.904 119.973 -2.069 19579 11471 1 18 . 1 1 11 11 SER HA H 11 4.414 4.414 4.835 -0.421 19579 11472 1 18 . 1 1 11 11 SER C C 11 174.335 174.335 173.403 0.932 19579 11473 1 18 . 1 1 11 11 SER CA C 11 58.363 58.363 57.835 0.528 19579 11474 1 18 . 1 1 11 11 SER CB C 11 63.911 63.911 65.022 -1.111 19579 11475 1 18 . 1 1 11 11 SER H H 11 8.342 8.342 8.627 -0.285 19579 11476 1 18 . 1 1 12 12 ALA N N 12 126.003 126.003 123.569 2.434 19579 11477 1 18 . 1 1 12 12 ALA HA H 12 4.238 4.238 5.107 -0.869 19579 11478 1 18 . 1 1 12 12 ALA C C 12 177.468 177.468 175.506 1.962 19579 11479 1 18 . 1 1 12 12 ALA CA C 12 52.772 52.772 51.532 1.240 19579 11480 1 18 . 1 1 12 12 ALA CB C 12 19.088 19.088 20.544 -1.456 19579 11481 1 18 . 1 1 12 12 ALA H H 12 8.274 8.274 8.665 -0.391 19579 11482 1 18 . 1 1 13 13 ALA N N 13 122.954 122.954 124.786 -1.832 19579 11483 1 18 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.855 -0.630 19579 11484 1 18 . 1 1 13 13 ALA C C 13 178.207 178.207 175.967 2.240 19579 11485 1 18 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.596 0.982 19579 11486 1 18 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.578 -1.287 19579 11487 1 18 . 1 1 13 13 ALA H H 13 8.121 8.121 8.419 -0.298 19579 11488 1 18 . 1 1 14 14 ALA N N 14 123.733 123.733 124.385 -0.652 19579 11489 1 18 . 1 1 14 14 ALA HA H 14 4.257 4.257 5.101 -0.844 19579 11490 1 18 . 1 1 14 14 ALA C C 14 178.227 178.227 176.115 2.112 19579 11491 1 18 . 1 1 14 14 ALA CA C 14 52.749 52.749 51.649 1.100 19579 11492 1 18 . 1 1 14 14 ALA CB C 14 19.276 19.276 21.020 -1.744 19579 11493 1 18 . 1 1 14 14 ALA H H 14 8.262 8.262 8.345 -0.083 19579 11494 1 18 . 1 1 15 15 GLY N N 15 108.014 108.014 109.185 -1.171 19579 11495 1 18 . 1 1 15 15 GLY C C 15 173.849 173.849 173.417 0.432 19579 11496 1 18 . 1 1 15 15 GLY CA C 15 45.311 45.311 44.697 0.614 19579 11497 1 18 . 1 1 15 15 GLY H H 15 8.239 8.239 8.461 -0.222 19579 11498 1 18 . 1 1 16 16 ALA N N 16 123.529 123.529 120.625 2.904 19579 11499 1 18 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.709 -0.411 19579 11500 1 18 . 1 1 16 16 ALA C C 16 178.108 178.108 176.623 1.485 19579 11501 1 18 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.437 1.274 19579 11502 1 18 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.623 -1.307 19579 11503 1 18 . 1 1 16 16 ALA H H 16 8.102 8.102 8.171 -0.069 19579 11504 1 18 . 1 1 17 17 GLY N N 17 108.099 108.099 105.388 2.711 19579 11505 1 18 . 1 1 17 17 GLY C C 17 174.081 174.081 173.380 0.701 19579 11506 1 18 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.622 -0.387 19579 11507 1 18 . 1 1 17 17 GLY H H 17 8.356 8.356 8.399 -0.043 19579 11508 1 18 . 1 1 18 18 VAL N N 18 119.220 119.220 121.192 -1.972 19579 11509 1 18 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.370 -0.303 19579 11510 1 18 . 1 1 18 18 VAL C C 18 175.946 175.946 175.817 0.129 19579 11511 1 18 . 1 1 18 18 VAL CA C 18 62.283 62.283 60.490 1.793 19579 11512 1 18 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.849 -0.085 19579 11513 1 18 . 1 1 18 18 VAL H H 18 7.899 7.899 7.764 0.135 19579 11514 1 18 . 1 1 19 19 ALA N N 19 127.804 127.804 121.188 6.616 19579 11515 1 18 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.607 0.680 19579 11516 1 18 . 1 1 19 19 ALA C C 19 177.303 177.303 175.689 1.614 19579 11517 1 18 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.035 -0.575 19579 11518 1 18 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.438 1.861 19579 11519 1 18 . 1 1 19 19 ALA H H 19 8.377 8.377 8.427 -0.050 19579 11520 1 18 . 1 1 20 20 ALA N N 20 123.602 123.602 120.689 2.913 19579 11521 1 18 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.498 -0.219 19579 11522 1 18 . 1 1 20 20 ALA C C 20 178.086 178.086 178.232 -0.146 19579 11523 1 18 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.957 1.795 19579 11524 1 18 . 1 1 20 20 ALA CB C 20 19.315 19.315 19.656 -0.341 19579 11525 1 18 . 1 1 20 20 ALA H H 20 8.261 8.261 7.635 0.626 19579 11526 1 18 . 1 1 21 21 GLY N N 21 108.033 108.033 115.216 -7.183 19579 11527 1 18 . 1 1 21 21 GLY C C 21 174.213 174.213 174.995 -0.782 19579 11528 1 18 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.612 -1.321 19579 11529 1 18 . 1 1 21 21 GLY H H 21 8.323 8.323 9.173 -0.850 19579 11530 1 18 . 1 1 22 22 SER N N 22 115.596 115.596 118.603 -3.007 19579 11531 1 18 . 1 1 22 22 SER HA H 22 4.369 4.369 4.766 -0.397 19579 11532 1 18 . 1 1 22 22 SER C C 22 175.328 175.328 172.783 2.545 19579 11533 1 18 . 1 1 22 22 SER CA C 22 58.686 58.686 57.433 1.253 19579 11534 1 18 . 1 1 22 22 SER CB C 22 63.915 63.915 63.814 0.101 19579 11535 1 18 . 1 1 22 22 SER H H 22 8.118 8.118 8.252 -0.134 19579 11536 1 18 . 1 1 23 23 TYR N N 23 121.490 121.490 120.376 1.114 19579 11537 1 18 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.688 0.081 19579 11538 1 18 . 1 1 23 23 TYR C C 23 175.890 175.890 173.757 2.133 19579 11539 1 18 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.673 1.051 19579 11540 1 18 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.435 -1.572 19579 11541 1 18 . 1 1 23 23 TYR H H 23 8.620 8.620 7.517 1.103 19579 11542 1 18 . 1 1 24 24 ALA N N 24 121.940 121.940 126.479 -4.539 19579 11543 1 18 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.670 -0.789 19579 11544 1 18 . 1 1 24 24 ALA C C 24 179.366 179.366 177.459 1.907 19579 11545 1 18 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.917 3.476 19579 11546 1 18 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.881 -2.341 19579 11547 1 18 . 1 1 24 24 ALA H H 24 8.127 8.127 9.170 -1.043 19579 11548 1 18 . 1 1 25 25 GLY N N 25 106.527 106.527 109.123 -2.596 19579 11549 1 18 . 1 1 25 25 GLY C C 25 175.074 175.074 175.296 -0.222 19579 11550 1 18 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.255 -0.058 19579 11551 1 18 . 1 1 25 25 GLY H H 25 8.647 8.647 8.602 0.045 19579 11552 1 18 . 1 1 26 26 ALA N N 26 122.752 122.752 123.835 -1.083 19579 11553 1 18 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.250 -0.223 19579 11554 1 18 . 1 1 26 26 ALA C C 26 177.490 177.490 178.659 -1.169 19579 11555 1 18 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.892 -0.356 19579 11556 1 18 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.226 0.750 19579 11557 1 18 . 1 1 26 26 ALA H H 26 7.552 7.552 7.929 -0.377 19579 11558 1 18 . 1 1 27 27 VAL N N 27 113.110 113.110 113.655 -0.545 19579 11559 1 18 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.691 -0.230 19579 11560 1 18 . 1 1 27 27 VAL C C 27 179.366 179.366 177.796 1.570 19579 11561 1 18 . 1 1 27 27 VAL CA C 27 65.563 65.563 64.859 0.704 19579 11562 1 18 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.843 0.252 19579 11563 1 18 . 1 1 27 27 VAL H H 27 7.283 7.283 7.611 -0.328 19579 11564 1 18 . 1 1 28 28 ASN N N 28 119.671 119.671 119.425 0.246 19579 11565 1 18 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.549 -0.194 19579 11566 1 18 . 1 1 28 28 ASN C C 28 177.667 177.667 177.293 0.374 19579 11567 1 18 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.823 0.268 19579 11568 1 18 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.167 0.153 19579 11569 1 18 . 1 1 28 28 ASN H H 28 8.374 8.374 8.652 -0.278 19579 11570 1 18 . 1 1 29 29 ARG N N 29 116.957 116.957 118.222 -1.265 19579 11571 1 18 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.259 -0.141 19579 11572 1 18 . 1 1 29 29 ARG C C 29 177.457 177.457 176.919 0.538 19579 11573 1 18 . 1 1 29 29 ARG CA C 29 58.695 58.695 56.991 1.704 19579 11574 1 18 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.041 0.096 19579 11575 1 18 . 1 1 29 29 ARG H H 29 7.860 7.860 7.896 -0.036 19579 11576 1 18 . 1 1 30 30 LEU N N 30 121.060 121.060 119.850 1.210 19579 11577 1 18 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.159 -0.205 19579 11578 1 18 . 1 1 30 30 LEU C C 30 174.975 174.975 178.513 -3.538 19579 11579 1 18 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.535 -0.313 19579 11580 1 18 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.869 -0.911 19579 11581 1 18 . 1 1 30 30 LEU H H 30 7.524 7.524 7.705 -0.181 19579 11582 1 18 . 1 1 31 31 SER N N 31 106.764 106.764 113.497 -6.733 19579 11583 1 18 . 1 1 31 31 SER HA H 31 4.523 4.523 4.490 0.033 19579 11584 1 18 . 1 1 31 31 SER C C 31 174.666 174.666 173.843 0.823 19579 11585 1 18 . 1 1 31 31 SER CA C 31 57.680 57.680 58.251 -0.571 19579 11586 1 18 . 1 1 31 31 SER CB C 31 63.290 63.290 61.474 1.816 19579 11587 1 18 . 1 1 31 31 SER H H 31 7.046 7.046 8.158 -1.112 19579 11588 1 18 . 1 1 32 32 SER N N 32 117.235 117.235 116.799 0.436 19579 11589 1 18 . 1 1 32 32 SER HA H 32 4.383 4.383 4.682 -0.299 19579 11590 1 18 . 1 1 32 32 SER C C 32 174.677 174.677 174.168 0.509 19579 11591 1 18 . 1 1 32 32 SER CA C 32 58.027 58.027 57.195 0.832 19579 11592 1 18 . 1 1 32 32 SER CB C 32 66.069 66.069 64.834 1.235 19579 11593 1 18 . 1 1 32 32 SER H H 32 7.721 7.721 7.910 -0.189 19579 11594 1 18 . 1 1 33 33 ALA N N 33 126.048 126.048 124.789 1.259 19579 11595 1 18 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.205 -0.107 19579 11596 1 18 . 1 1 33 33 ALA C C 33 180.822 180.822 179.576 1.246 19579 11597 1 18 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.730 0.011 19579 11598 1 18 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.796 -0.766 19579 11599 1 18 . 1 1 33 33 ALA H H 33 8.980 8.980 8.782 0.198 19579 11600 1 18 . 1 1 34 34 GLU N N 34 117.978 117.978 119.718 -1.740 19579 11601 1 18 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.904 0.031 19579 11602 1 18 . 1 1 34 34 GLU C C 34 178.560 178.560 178.694 -0.134 19579 11603 1 18 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.037 1.337 19579 11604 1 18 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.356 -0.543 19579 11605 1 18 . 1 1 34 34 GLU H H 34 8.993 8.993 7.896 1.097 19579 11606 1 18 . 1 1 35 35 ALA N N 35 123.748 123.748 121.864 1.884 19579 11607 1 18 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.236 -0.185 19579 11608 1 18 . 1 1 35 35 ALA C C 35 179.101 179.101 179.552 -0.451 19579 11609 1 18 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.929 0.490 19579 11610 1 18 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.398 0.886 19579 11611 1 18 . 1 1 35 35 ALA H H 35 7.443 7.443 7.823 -0.380 19579 11612 1 18 . 1 1 36 36 ALA N N 36 118.503 118.503 120.090 -1.587 19579 11613 1 18 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.939 -0.184 19579 11614 1 18 . 1 1 36 36 ALA C C 36 180.745 180.745 179.843 0.902 19579 11615 1 18 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.096 0.445 19579 11616 1 18 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.042 -1.016 19579 11617 1 18 . 1 1 36 36 ALA H H 36 7.484 7.484 8.012 -0.528 19579 11618 1 18 . 1 1 37 37 SER N N 37 114.688 114.688 113.522 1.166 19579 11619 1 18 . 1 1 37 37 SER HA H 37 4.170 4.170 4.184 -0.014 19579 11620 1 18 . 1 1 37 37 SER C C 37 177.214 177.214 176.587 0.627 19579 11621 1 18 . 1 1 37 37 SER CA C 37 61.628 61.628 61.549 0.079 19579 11622 1 18 . 1 1 37 37 SER CB C 37 62.653 62.653 63.117 -0.464 19579 11623 1 18 . 1 1 37 37 SER H H 37 8.178 8.178 7.840 0.338 19579 11624 1 18 . 1 1 38 38 ARG N N 38 123.817 123.817 121.462 2.355 19579 11625 1 18 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.084 -0.080 19579 11626 1 18 . 1 1 38 38 ARG C C 38 179.564 179.564 178.867 0.697 19579 11627 1 18 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.223 1.434 19579 11628 1 18 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.451 1.362 19579 11629 1 18 . 1 1 38 38 ARG H H 38 7.882 7.882 7.584 0.298 19579 11630 1 18 . 1 1 39 39 VAL N N 39 120.446 120.446 119.623 0.823 19579 11631 1 18 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.705 -0.376 19579 11632 1 18 . 1 1 39 39 VAL C C 39 178.505 178.505 177.544 0.961 19579 11633 1 18 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.338 1.856 19579 11634 1 18 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.167 0.403 19579 11635 1 18 . 1 1 39 39 VAL H H 39 8.543 8.543 8.564 -0.021 19579 11636 1 18 . 1 1 40 40 SER N N 40 114.009 114.009 115.210 -1.201 19579 11637 1 18 . 1 1 40 40 SER HA H 40 4.080 4.080 3.997 0.083 19579 11638 1 18 . 1 1 40 40 SER C C 40 176.340 176.340 176.539 -0.199 19579 11639 1 18 . 1 1 40 40 SER CA C 40 62.940 62.940 61.781 1.159 19579 11640 1 18 . 1 1 40 40 SER CB C 40 62.953 62.953 62.753 0.200 19579 11641 1 18 . 1 1 40 40 SER H H 40 8.602 8.602 8.107 0.495 19579 11642 1 18 . 1 1 41 41 SER N N 41 114.648 114.648 115.972 -1.324 19579 11643 1 18 . 1 1 41 41 SER HA H 41 4.333 4.333 4.361 -0.028 19579 11644 1 18 . 1 1 41 41 SER C C 41 174.390 174.390 175.334 -0.944 19579 11645 1 18 . 1 1 41 41 SER CA C 41 60.828 60.828 60.840 -0.012 19579 11646 1 18 . 1 1 41 41 SER CB C 41 63.563 63.563 63.166 0.397 19579 11647 1 18 . 1 1 41 41 SER H H 41 8.003 8.003 7.812 0.191 19579 11648 1 18 . 1 1 42 42 ASN N N 42 117.849 117.849 119.399 -1.550 19579 11649 1 18 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.910 0.054 19579 11650 1 18 . 1 1 42 42 ASN C C 42 174.677 174.677 176.895 -2.218 19579 11651 1 18 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.460 0.903 19579 11652 1 18 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.100 2.166 19579 11653 1 18 . 1 1 42 42 ASN H H 42 7.600 7.600 7.745 -0.145 19579 11654 1 18 . 1 1 43 43 ILE N N 43 116.952 116.952 118.062 -1.110 19579 11655 1 18 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.824 -0.153 19579 11656 1 18 . 1 1 43 43 ILE C C 43 176.773 176.773 176.866 -0.093 19579 11657 1 18 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.355 -0.128 19579 11658 1 18 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.272 0.138 19579 11659 1 18 . 1 1 43 43 ILE H H 43 7.336 7.336 8.783 -1.447 19579 11660 1 18 . 1 1 44 44 ALA N N 44 122.396 122.396 121.580 0.816 19579 11661 1 18 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.048 -0.012 19579 11662 1 18 . 1 1 44 44 ALA C C 44 180.304 180.304 178.242 2.062 19579 11663 1 18 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.149 1.239 19579 11664 1 18 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.288 -0.800 19579 11665 1 18 . 1 1 44 44 ALA H H 44 8.617 8.617 8.146 0.471 19579 11666 1 18 . 1 1 45 45 ALA N N 45 120.804 120.804 120.937 -0.133 19579 11667 1 18 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.248 -0.195 19579 11668 1 18 . 1 1 45 45 ALA C C 45 180.591 180.591 179.719 0.872 19579 11669 1 18 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.834 0.918 19579 11670 1 18 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.555 -0.938 19579 11671 1 18 . 1 1 45 45 ALA H H 45 7.913 7.913 7.583 0.330 19579 11672 1 18 . 1 1 46 46 ILE N N 46 117.637 117.637 119.924 -2.287 19579 11673 1 18 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.865 -0.237 19579 11674 1 18 . 1 1 46 46 ILE C C 46 177.612 177.612 178.424 -0.812 19579 11675 1 18 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.500 -1.221 19579 11676 1 18 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.861 -0.201 19579 11677 1 18 . 1 1 46 46 ILE H H 46 7.313 7.313 7.727 -0.414 19579 11678 1 18 . 1 1 47 47 ALA N N 47 121.493 121.493 122.082 -0.589 19579 11679 1 18 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.170 -0.226 19579 11680 1 18 . 1 1 47 47 ALA C C 47 178.538 178.538 178.344 0.194 19579 11681 1 18 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.417 0.970 19579 11682 1 18 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.571 0.408 19579 11683 1 18 . 1 1 47 47 ALA H H 47 8.413 8.413 8.359 0.054 19579 11684 1 18 . 1 1 48 48 SER N N 48 109.024 109.024 112.514 -3.490 19579 11685 1 18 . 1 1 48 48 SER HA H 48 4.352 4.352 4.691 -0.339 19579 11686 1 18 . 1 1 48 48 SER C C 48 176.056 176.056 174.243 1.813 19579 11687 1 18 . 1 1 48 48 SER CA C 48 59.977 59.977 58.989 0.988 19579 11688 1 18 . 1 1 48 48 SER CB C 48 63.838 63.838 64.702 -0.864 19579 11689 1 18 . 1 1 48 48 SER H H 48 8.030 8.030 7.577 0.453 19579 11690 1 18 . 1 1 49 49 GLY N N 49 108.121 108.121 109.112 -0.991 19579 11691 1 18 . 1 1 49 49 GLY C C 49 174.820 174.820 174.952 -0.132 19579 11692 1 18 . 1 1 49 49 GLY CA C 49 45.193 45.193 44.825 0.368 19579 11693 1 18 . 1 1 49 49 GLY H H 49 8.048 8.048 7.471 0.577 19579 11694 1 18 . 1 1 50 50 GLY N N 50 111.955 111.955 108.808 3.147 19579 11695 1 18 . 1 1 50 50 GLY C C 50 174.975 174.975 173.812 1.163 19579 11696 1 18 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.261 -0.079 19579 11697 1 18 . 1 1 50 50 GLY H H 50 8.409 8.409 8.558 -0.149 19579 11698 1 18 . 1 1 51 51 ALA N N 51 126.247 126.247 121.495 4.752 19579 11699 1 18 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.494 -0.675 19579 11700 1 18 . 1 1 51 51 ALA C C 51 179.697 179.697 178.853 0.844 19579 11701 1 18 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.066 2.994 19579 11702 1 18 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.363 -1.084 19579 11703 1 18 . 1 1 51 51 ALA H H 51 9.119 9.119 7.926 1.193 19579 11704 1 18 . 1 1 52 52 SER N N 52 111.975 111.975 116.742 -4.767 19579 11705 1 18 . 1 1 52 52 SER HA H 52 4.222 4.222 4.281 -0.059 19579 11706 1 18 . 1 1 52 52 SER C C 52 174.983 174.983 175.043 -0.060 19579 11707 1 18 . 1 1 52 52 SER CA C 52 60.814 60.814 59.942 0.872 19579 11708 1 18 . 1 1 52 52 SER CB C 52 62.977 62.977 63.034 -0.057 19579 11709 1 18 . 1 1 52 52 SER H H 52 8.231 8.231 8.595 -0.364 19579 11710 1 18 . 1 1 53 53 ALA N N 53 122.484 122.484 121.070 1.414 19579 11711 1 18 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.441 -0.039 19579 11712 1 18 . 1 1 53 53 ALA C C 53 177.391 177.391 177.887 -0.496 19579 11713 1 18 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.193 -0.066 19579 11714 1 18 . 1 1 53 53 ALA CB C 53 19.946 19.946 19.030 0.916 19579 11715 1 18 . 1 1 53 53 ALA H H 53 7.602 7.602 7.974 -0.372 19579 11716 1 18 . 1 1 54 54 LEU N N 54 117.414 117.414 121.280 -3.866 19579 11717 1 18 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.103 -0.224 19579 11718 1 18 . 1 1 54 54 LEU C C 54 174.434 174.434 175.611 -1.177 19579 11719 1 18 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.557 -0.242 19579 11720 1 18 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.641 -0.021 19579 11721 1 18 . 1 1 54 54 LEU H H 54 7.408 7.408 7.485 -0.077 19579 11722 1 18 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.353 -0.162 19579 11723 1 18 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.308 1.626 19579 11724 1 18 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.103 -0.053 19579 11725 1 18 . 1 1 56 56 SER N N 56 113.559 113.559 112.571 0.988 19579 11726 1 18 . 1 1 56 56 SER HA H 56 4.234 4.234 4.311 -0.077 19579 11727 1 18 . 1 1 56 56 SER C C 56 176.552 176.552 176.058 0.494 19579 11728 1 18 . 1 1 56 56 SER CA C 56 61.233 61.233 61.795 -0.562 19579 11729 1 18 . 1 1 56 56 SER CB C 56 62.733 62.733 63.295 -0.562 19579 11730 1 18 . 1 1 56 56 SER H H 56 7.834 7.834 7.553 0.281 19579 11731 1 18 . 1 1 57 57 VAL N N 57 123.292 123.292 123.452 -0.160 19579 11732 1 18 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.118 -0.375 19579 11733 1 18 . 1 1 57 57 VAL C C 57 178.042 178.042 178.258 -0.216 19579 11734 1 18 . 1 1 57 57 VAL CA C 57 66.460 66.460 66.045 0.415 19579 11735 1 18 . 1 1 57 57 VAL CB C 57 31.768 31.768 31.854 -0.086 19579 11736 1 18 . 1 1 57 57 VAL H H 57 8.263 8.263 8.209 0.054 19579 11737 1 18 . 1 1 58 58 ILE N N 58 118.510 118.510 119.547 -1.037 19579 11738 1 18 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.740 -0.056 19579 11739 1 18 . 1 1 58 58 ILE C C 58 176.221 176.221 178.680 -2.459 19579 11740 1 18 . 1 1 58 58 ILE CA C 58 65.082 65.082 65.696 -0.614 19579 11741 1 18 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.727 -0.378 19579 11742 1 18 . 1 1 58 58 ILE H H 58 8.873 8.873 8.189 0.684 19579 11743 1 18 . 1 1 59 59 SER N N 59 114.238 114.238 114.066 0.172 19579 11744 1 18 . 1 1 59 59 SER HA H 59 4.305 4.305 4.675 -0.370 19579 11745 1 18 . 1 1 59 59 SER C C 59 177.534 177.534 176.234 1.300 19579 11746 1 18 . 1 1 59 59 SER CA C 59 61.586 61.586 60.634 0.952 19579 11747 1 18 . 1 1 59 59 SER CB C 59 62.951 62.951 63.199 -0.248 19579 11748 1 18 . 1 1 59 59 SER H H 59 7.388 7.388 8.350 -0.962 19579 11749 1 18 . 1 1 60 60 ASN N N 60 120.810 120.810 120.904 -0.094 19579 11750 1 18 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.600 -0.240 19579 11751 1 18 . 1 1 60 60 ASN C C 60 178.616 178.616 177.736 0.880 19579 11752 1 18 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.943 0.772 19579 11753 1 18 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.456 0.539 19579 11754 1 18 . 1 1 60 60 ASN H H 60 8.147 8.147 7.508 0.639 19579 11755 1 18 . 1 1 61 61 ILE N N 61 121.116 121.116 120.606 0.510 19579 11756 1 18 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.651 -0.130 19579 11757 1 18 . 1 1 61 61 ILE C C 61 176.972 176.972 177.655 -0.683 19579 11758 1 18 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.595 0.967 19579 11759 1 18 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.071 0.935 19579 11760 1 18 . 1 1 61 61 ILE H H 61 8.642 8.642 8.105 0.537 19579 11761 1 18 . 1 1 62 62 TYR N N 62 119.953 119.953 119.822 0.131 19579 11762 1 18 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.036 -0.413 19579 11763 1 18 . 1 1 62 62 TYR C C 62 176.828 176.828 177.528 -0.700 19579 11764 1 18 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.532 1.551 19579 11765 1 18 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.487 0.488 19579 11766 1 18 . 1 1 62 62 TYR H H 62 9.192 9.192 7.748 1.444 19579 11767 1 18 . 1 1 63 63 SER N N 63 111.464 111.464 113.751 -2.287 19579 11768 1 18 . 1 1 63 63 SER HA H 63 4.035 4.035 4.264 -0.229 19579 11769 1 18 . 1 1 63 63 SER C C 63 177.325 177.325 177.088 0.237 19579 11770 1 18 . 1 1 63 63 SER CA C 63 62.027 62.027 61.013 1.014 19579 11771 1 18 . 1 1 63 63 SER CB C 63 62.565 62.565 62.614 -0.049 19579 11772 1 18 . 1 1 63 63 SER H H 63 8.320 8.320 7.902 0.418 19579 11773 1 18 . 1 1 64 64 GLY N N 64 110.383 110.383 109.326 1.057 19579 11774 1 18 . 1 1 64 64 GLY C C 64 175.581 175.581 175.644 -0.063 19579 11775 1 18 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.340 0.974 19579 11776 1 18 . 1 1 64 64 GLY H H 64 7.724 7.724 7.362 0.362 19579 11777 1 18 . 1 1 65 65 VAL N N 65 124.665 124.665 122.333 2.332 19579 11778 1 18 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.726 -0.482 19579 11779 1 18 . 1 1 65 65 VAL C C 65 180.072 180.072 177.300 2.772 19579 11780 1 18 . 1 1 65 65 VAL CA C 65 67.004 67.004 64.686 2.318 19579 11781 1 18 . 1 1 65 65 VAL CB C 65 31.708 31.708 32.154 -0.446 19579 11782 1 18 . 1 1 65 65 VAL H H 65 8.584 8.584 7.424 1.160 19579 11783 1 18 . 1 1 66 66 VAL N N 66 120.803 120.803 117.806 2.997 19579 11784 1 18 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.543 0.180 19579 11785 1 18 . 1 1 66 66 VAL C C 66 179.829 179.829 177.053 2.776 19579 11786 1 18 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.645 0.569 19579 11787 1 18 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.357 0.398 19579 11788 1 18 . 1 1 66 66 VAL H H 66 8.305 8.305 7.385 0.920 19579 11789 1 18 . 1 1 67 67 ALA N N 67 123.266 123.266 119.797 3.469 19579 11790 1 18 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.149 0.015 19579 11791 1 18 . 1 1 67 67 ALA C C 67 178.560 178.560 178.371 0.189 19579 11792 1 18 . 1 1 67 67 ALA CA C 67 54.424 54.424 53.987 0.437 19579 11793 1 18 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.314 -0.303 19579 11794 1 18 . 1 1 67 67 ALA H H 67 7.979 7.979 7.677 0.302 19579 11795 1 18 . 1 1 68 68 SER N N 68 112.669 112.669 114.170 -1.501 19579 11796 1 18 . 1 1 68 68 SER HA H 68 4.436 4.436 4.373 0.063 19579 11797 1 18 . 1 1 68 68 SER C C 68 174.555 174.555 175.270 -0.715 19579 11798 1 18 . 1 1 68 68 SER CA C 68 59.634 59.634 58.478 1.156 19579 11799 1 18 . 1 1 68 68 SER CB C 68 63.943 63.943 63.889 0.055 19579 11800 1 18 . 1 1 68 68 SER H H 68 7.674 7.674 7.447 0.227 19579 11801 1 18 . 1 1 69 69 GLY N N 69 109.146 109.146 109.839 -0.693 19579 11802 1 18 . 1 1 69 69 GLY C C 69 173.904 173.904 174.175 -0.271 19579 11803 1 18 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.559 0.672 19579 11804 1 18 . 1 1 69 69 GLY H H 69 7.939 7.939 7.588 0.351 19579 11805 1 18 . 1 1 70 70 VAL N N 70 119.926 119.926 119.986 -0.060 19579 11806 1 18 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.384 -0.474 19579 11807 1 18 . 1 1 70 70 VAL C C 70 174.997 174.997 175.590 -0.593 19579 11808 1 18 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.913 1.371 19579 11809 1 18 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.545 -1.121 19579 11810 1 18 . 1 1 70 70 VAL H H 70 6.723 6.723 7.362 -0.639 19579 11811 1 18 . 1 1 71 71 SER N N 71 120.581 120.581 118.126 2.455 19579 11812 1 18 . 1 1 71 71 SER HA H 71 4.386 4.386 4.525 -0.139 19579 11813 1 18 . 1 1 71 71 SER C C 71 175.559 175.559 175.829 -0.270 19579 11814 1 18 . 1 1 71 71 SER CA C 71 58.441 58.441 57.337 1.104 19579 11815 1 18 . 1 1 71 71 SER CB C 71 64.632 64.632 64.084 0.548 19579 11816 1 18 . 1 1 71 71 SER H H 71 8.577 8.577 8.509 0.068 19579 11817 1 18 . 1 1 72 72 SER N N 72 117.898 117.898 119.256 -1.358 19579 11818 1 18 . 1 1 72 72 SER HA H 72 4.083 4.083 4.132 -0.049 19579 11819 1 18 . 1 1 72 72 SER C C 72 176.255 176.255 176.596 -0.341 19579 11820 1 18 . 1 1 72 72 SER CA C 72 61.586 61.586 61.395 0.191 19579 11821 1 18 . 1 1 72 72 SER CB C 72 62.622 62.622 63.069 -0.447 19579 11822 1 18 . 1 1 72 72 SER H H 72 8.889 8.889 8.688 0.201 19579 11823 1 18 . 1 1 73 73 ASN N N 73 118.976 118.976 119.523 -0.547 19579 11824 1 18 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.456 0.201 19579 11825 1 18 . 1 1 73 73 ASN C C 73 176.506 176.506 177.473 -0.967 19579 11826 1 18 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.565 0.496 19579 11827 1 18 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.362 -0.362 19579 11828 1 18 . 1 1 73 73 ASN H H 73 8.519 8.519 8.700 -0.181 19579 11829 1 18 . 1 1 74 74 GLU N N 74 118.543 118.543 118.399 0.144 19579 11830 1 18 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.222 -0.112 19579 11831 1 18 . 1 1 74 74 GLU C C 74 176.994 176.994 178.006 -1.012 19579 11832 1 18 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.510 -0.484 19579 11833 1 18 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.471 1.892 19579 11834 1 18 . 1 1 74 74 GLU H H 74 7.768 7.768 8.341 -0.573 19579 11835 1 18 . 1 1 75 75 ALA N N 75 121.901 121.901 124.403 -2.502 19579 11836 1 18 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.977 -0.287 19579 11837 1 18 . 1 1 75 75 ALA C C 75 178.318 178.318 179.215 -0.897 19579 11838 1 18 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.484 -0.256 19579 11839 1 18 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.316 0.325 19579 11840 1 18 . 1 1 75 75 ALA H H 75 8.069 8.069 8.433 -0.364 19579 11841 1 18 . 1 1 76 76 LEU N N 76 117.360 117.360 119.669 -2.309 19579 11842 1 18 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.194 -0.084 19579 11843 1 18 . 1 1 76 76 LEU C C 76 177.854 177.854 178.702 -0.848 19579 11844 1 18 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.882 0.132 19579 11845 1 18 . 1 1 76 76 LEU CB C 76 40.768 40.768 41.959 -1.191 19579 11846 1 18 . 1 1 76 76 LEU H H 76 8.121 8.121 7.547 0.574 19579 11847 1 18 . 1 1 77 77 ILE N N 77 116.714 116.714 118.725 -2.011 19579 11848 1 18 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.604 -0.152 19579 11849 1 18 . 1 1 77 77 ILE C C 77 176.883 176.883 178.231 -1.348 19579 11850 1 18 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.792 -0.534 19579 11851 1 18 . 1 1 77 77 ILE CB C 77 36.742 36.742 37.011 -0.269 19579 11852 1 18 . 1 1 77 77 ILE H H 77 7.607 7.607 7.408 0.199 19579 11853 1 18 . 1 1 78 78 GLN N N 78 119.338 119.338 119.768 -0.430 19579 11854 1 18 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.884 -0.252 19579 11855 1 18 . 1 1 78 78 GLN C C 78 177.521 177.521 178.128 -0.607 19579 11856 1 18 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.448 0.872 19579 11857 1 18 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.496 -0.321 19579 11858 1 18 . 1 1 78 78 GLN H H 78 8.119 8.119 8.572 -0.453 19579 11859 1 18 . 1 1 79 79 ALA N N 79 119.218 119.218 122.847 -3.629 19579 11860 1 18 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.056 -0.184 19579 11861 1 18 . 1 1 79 79 ALA C C 79 179.311 179.311 179.997 -0.686 19579 11862 1 18 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.221 -0.396 19579 11863 1 18 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.275 -0.456 19579 11864 1 18 . 1 1 79 79 ALA H H 79 8.639 8.639 7.808 0.831 19579 11865 1 18 . 1 1 80 80 LEU N N 80 116.262 116.262 118.472 -2.210 19579 11866 1 18 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.134 -0.235 19579 11867 1 18 . 1 1 80 80 LEU C C 80 178.914 178.914 179.254 -0.340 19579 11868 1 18 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.130 0.881 19579 11869 1 18 . 1 1 80 80 LEU CB C 80 41.615 41.615 40.779 0.836 19579 11870 1 18 . 1 1 80 80 LEU H H 80 8.450 8.450 7.780 0.670 19579 11871 1 18 . 1 1 81 81 LEU N N 81 118.995 118.995 120.020 -1.025 19579 11872 1 18 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.861 0.111 19579 11873 1 18 . 1 1 81 81 LEU C C 81 180.127 180.127 179.268 0.859 19579 11874 1 18 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.653 -0.669 19579 11875 1 18 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.094 1.449 19579 11876 1 18 . 1 1 81 81 LEU H H 81 8.151 8.151 8.392 -0.241 19579 11877 1 18 . 1 1 82 82 GLU N N 82 124.890 124.890 119.534 5.356 19579 11878 1 18 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.044 -0.411 19579 11879 1 18 . 1 1 82 82 GLU C C 82 178.505 178.505 179.285 -0.780 19579 11880 1 18 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.382 1.918 19579 11881 1 18 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.519 0.260 19579 11882 1 18 . 1 1 82 82 GLU H H 82 8.659 8.659 8.318 0.341 19579 11883 1 18 . 1 1 83 83 LEU N N 83 121.487 121.487 121.291 0.196 19579 11884 1 18 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.132 -0.312 19579 11885 1 18 . 1 1 83 83 LEU C C 83 178.163 178.163 178.896 -0.733 19579 11886 1 18 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.936 0.219 19579 11887 1 18 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.400 0.234 19579 11888 1 18 . 1 1 83 83 LEU H H 83 8.658 8.658 7.664 0.994 19579 11889 1 18 . 1 1 84 84 LEU N N 84 118.904 118.904 117.264 1.640 19579 11890 1 18 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.224 -0.438 19579 11891 1 18 . 1 1 84 84 LEU C C 84 178.064 178.064 177.914 0.150 19579 11892 1 18 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.503 2.160 19579 11893 1 18 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.503 1.702 19579 11894 1 18 . 1 1 84 84 LEU H H 84 8.803 8.803 8.274 0.529 19579 11895 1 18 . 1 1 85 85 SER N N 85 114.347 114.347 115.561 -1.214 19579 11896 1 18 . 1 1 85 85 SER HA H 85 4.211 4.211 4.527 -0.316 19579 11897 1 18 . 1 1 85 85 SER C C 85 174.633 174.633 175.697 -1.064 19579 11898 1 18 . 1 1 85 85 SER CA C 85 62.957 62.957 60.764 2.192 19579 11899 1 18 . 1 1 85 85 SER CB C 85 62.947 62.947 64.338 -1.391 19579 11900 1 18 . 1 1 85 85 SER H H 85 7.879 7.879 7.586 0.293 19579 11901 1 18 . 1 1 86 86 ALA N N 86 124.206 124.206 125.929 -1.723 19579 11902 1 18 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.052 -0.282 19579 11903 1 18 . 1 1 86 86 ALA C C 86 178.538 178.538 179.151 -0.613 19579 11904 1 18 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.512 -0.146 19579 11905 1 18 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.433 -1.089 19579 11906 1 18 . 1 1 86 86 ALA H H 86 8.199 8.199 8.446 -0.247 19579 11907 1 18 . 1 1 87 87 LEU N N 87 116.463 116.463 114.862 1.601 19579 11908 1 18 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.244 -0.423 19579 11909 1 18 . 1 1 87 87 LEU C C 87 178.709 178.709 178.234 0.475 19579 11910 1 18 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.742 0.612 19579 11911 1 18 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.624 1.970 19579 11912 1 18 . 1 1 87 87 LEU H H 87 8.140 8.140 7.528 0.612 19579 11913 1 18 . 1 1 88 88 VAL N N 88 118.854 118.854 120.733 -1.879 19579 11914 1 18 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.714 -0.311 19579 11915 1 18 . 1 1 88 88 VAL C C 88 177.766 177.766 178.367 -0.601 19579 11916 1 18 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.430 0.235 19579 11917 1 18 . 1 1 88 88 VAL CB C 88 31.447 31.447 30.701 0.746 19579 11918 1 18 . 1 1 88 88 VAL H H 88 8.716 8.716 7.250 1.466 19579 11919 1 18 . 1 1 89 89 HIS N N 89 121.227 121.227 120.259 0.968 19579 11920 1 18 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.267 -0.228 19579 11921 1 18 . 1 1 89 89 HIS C C 89 178.880 178.880 177.588 1.292 19579 11922 1 18 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.259 1.063 19579 11923 1 18 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.244 1.504 19579 11924 1 18 . 1 1 89 89 HIS H H 89 8.664 8.664 8.114 0.550 19579 11925 1 18 . 1 1 90 90 VAL N N 90 118.094 118.094 117.297 0.797 19579 11926 1 18 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.940 -0.373 19579 11927 1 18 . 1 1 90 90 VAL C C 90 177.733 177.733 177.504 0.229 19579 11928 1 18 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.344 1.486 19579 11929 1 18 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.381 0.219 19579 11930 1 18 . 1 1 90 90 VAL H H 90 7.994 7.994 7.562 0.432 19579 11931 1 18 . 1 1 91 91 LEU N N 91 119.672 119.672 121.270 -1.598 19579 11932 1 18 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.069 -0.237 19579 11933 1 18 . 1 1 91 91 LEU C C 91 178.869 178.869 179.039 -0.170 19579 11934 1 18 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.752 0.006 19579 11935 1 18 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.122 1.817 19579 11936 1 18 . 1 1 91 91 LEU H H 91 8.393 8.393 8.124 0.269 19579 11937 1 18 . 1 1 92 92 SER N N 92 113.554 113.554 113.142 0.412 19579 11938 1 18 . 1 1 92 92 SER HA H 92 4.297 4.297 4.294 0.003 19579 11939 1 18 . 1 1 92 92 SER C C 92 174.500 174.500 175.643 -1.143 19579 11940 1 18 . 1 1 92 92 SER CA C 92 61.410 61.410 60.594 0.816 19579 11941 1 18 . 1 1 92 92 SER CB C 92 63.254 63.254 63.081 0.173 19579 11942 1 18 . 1 1 92 92 SER H H 92 7.900 7.900 7.769 0.131 19579 11943 1 18 . 1 1 93 93 SER N N 93 115.055 115.055 115.283 -0.228 19579 11944 1 18 . 1 1 93 93 SER HA H 93 4.704 4.704 4.640 0.064 19579 11945 1 18 . 1 1 93 93 SER C C 93 173.044 173.044 175.122 -2.078 19579 11946 1 18 . 1 1 93 93 SER CA C 93 57.967 57.967 58.727 -0.760 19579 11947 1 18 . 1 1 93 93 SER CB C 93 64.574 64.574 64.043 0.530 19579 11948 1 18 . 1 1 93 93 SER H H 93 7.420 7.420 7.489 -0.069 19579 11949 1 18 . 1 1 94 94 ALA N N 94 124.504 124.504 126.004 -1.500 19579 11950 1 18 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.212 0.417 19579 11951 1 18 . 1 1 94 94 ALA C C 94 176.199 176.199 177.448 -1.249 19579 11952 1 18 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.501 -2.032 19579 11953 1 18 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.933 2.687 19579 11954 1 18 . 1 1 94 94 ALA H H 94 7.476 7.476 7.566 -0.090 19579 11955 1 18 . 1 1 95 95 SER N N 95 115.739 115.739 113.166 2.573 19579 11956 1 18 . 1 1 95 95 SER HA H 95 4.758 4.758 4.227 0.531 19579 11957 1 18 . 1 1 95 95 SER C C 95 174.136 174.136 174.552 -0.416 19579 11958 1 18 . 1 1 95 95 SER CA C 95 57.343 57.343 58.829 -1.486 19579 11959 1 18 . 1 1 95 95 SER CB C 95 63.303 63.303 61.173 2.130 19579 11960 1 18 . 1 1 95 95 SER H H 95 8.483 8.483 7.714 0.769 19579 11961 1 18 . 1 1 96 96 ILE N N 96 128.288 128.288 122.858 5.430 19579 11962 1 18 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.085 -0.092 19579 11963 1 18 . 1 1 96 96 ILE C C 96 175.868 175.868 176.503 -0.635 19579 11964 1 18 . 1 1 96 96 ILE CA C 96 61.362 61.362 61.520 -0.158 19579 11965 1 18 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.623 -1.010 19579 11966 1 18 . 1 1 96 96 ILE H H 96 8.869 8.869 8.253 0.616 19579 11967 1 18 . 1 1 97 97 GLY N N 97 115.495 115.495 115.376 0.119 19579 11968 1 18 . 1 1 97 97 GLY C C 97 173.022 173.022 173.380 -0.358 19579 11969 1 18 . 1 1 97 97 GLY CA C 97 44.870 44.870 45.867 -0.997 19579 11970 1 18 . 1 1 97 97 GLY H H 97 8.272 8.272 8.635 -0.363 19579 11971 1 18 . 1 1 98 98 ASN N N 98 120.819 120.819 116.103 4.716 19579 11972 1 18 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.723 -0.075 19579 11973 1 18 . 1 1 98 98 ASN C C 98 174.809 174.809 173.896 0.913 19579 11974 1 18 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.891 0.535 19579 11975 1 18 . 1 1 98 98 ASN CB C 98 38.665 38.665 40.854 -2.189 19579 11976 1 18 . 1 1 98 98 ASN H H 98 8.420 8.420 7.847 0.573 19579 11977 1 18 . 1 1 99 99 VAL N N 99 122.960 122.960 123.961 -1.001 19579 11978 1 18 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.310 -0.136 19579 11979 1 18 . 1 1 99 99 VAL C C 99 174.500 174.500 175.474 -0.974 19579 11980 1 18 . 1 1 99 99 VAL CA C 99 61.368 61.368 61.216 0.152 19579 11981 1 18 . 1 1 99 99 VAL CB C 99 33.406 33.406 34.083 -0.677 19579 11982 1 18 . 1 1 99 99 VAL H H 99 8.292 8.292 8.490 -0.198 19579 11983 1 18 . 1 1 100 100 SER N N 100 120.723 120.723 120.875 -0.152 19579 11984 1 18 . 1 1 100 100 SER HA H 100 4.756 4.756 4.574 0.182 19579 11985 1 18 . 1 1 100 100 SER C C 100 174.235 174.235 174.799 -0.564 19579 11986 1 18 . 1 1 100 100 SER CA C 100 56.687 56.687 57.587 -0.900 19579 11987 1 18 . 1 1 100 100 SER CB C 100 64.904 64.904 63.839 1.065 19579 11988 1 18 . 1 1 100 100 SER H H 100 8.644 8.644 8.528 0.116 19579 11989 1 18 . 1 1 101 101 SER N N 101 117.236 117.236 121.922 -4.686 19579 11990 1 18 . 1 1 101 101 SER HA H 101 4.130 4.130 4.492 -0.362 19579 11991 1 18 . 1 1 101 101 SER CA C 101 59.000 59.000 58.551 0.449 19579 11992 1 18 . 1 1 101 101 SER CB C 101 63.104 63.104 62.690 0.414 19579 11993 1 18 . 1 1 102 102 VAL N N 102 124.874 124.874 123.093 1.781 19579 11994 1 18 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.248 -0.427 19579 11995 1 18 . 1 1 102 102 VAL C C 102 177.545 177.545 175.843 1.702 19579 11996 1 18 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.930 2.652 19579 11997 1 18 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.888 -1.408 19579 11998 1 18 . 1 1 102 102 VAL H H 102 8.090 8.090 8.057 0.033 19579 11999 1 18 . 1 1 103 103 GLY N N 103 114.589 114.589 115.923 -1.334 19579 12000 1 18 . 1 1 103 103 GLY C C 103 176.387 176.387 175.563 0.824 19579 12001 1 18 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.317 0.369 19579 12002 1 18 . 1 1 103 103 GLY H H 103 9.051 9.051 8.627 0.424 19579 12003 1 18 . 1 1 104 104 VAL N N 104 121.976 121.976 121.093 0.883 19579 12004 1 18 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.657 -0.309 19579 12005 1 18 . 1 1 104 104 VAL C C 104 176.045 176.045 177.298 -1.253 19579 12006 1 18 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.219 1.670 19579 12007 1 18 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.542 -0.277 19579 12008 1 18 . 1 1 104 104 VAL H H 104 7.753 7.753 8.039 -0.286 19579 12009 1 18 . 1 1 105 105 ASP N N 105 117.868 117.868 119.325 -1.457 19579 12010 1 18 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.277 -0.126 19579 12011 1 18 . 1 1 105 105 ASP C C 105 178.406 178.406 178.107 0.299 19579 12012 1 18 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.668 -0.958 19579 12013 1 18 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.774 -2.122 19579 12014 1 18 . 1 1 105 105 ASP H H 105 8.719 8.719 8.731 -0.012 19579 12015 1 18 . 1 1 106 106 SER N N 106 117.500 117.500 112.764 4.736 19579 12016 1 18 . 1 1 106 106 SER HA H 106 4.306 4.306 4.239 0.067 19579 12017 1 18 . 1 1 106 106 SER C C 106 176.784 176.784 176.243 0.541 19579 12018 1 18 . 1 1 106 106 SER CA C 106 61.523 61.523 61.157 0.366 19579 12019 1 18 . 1 1 106 106 SER CB C 106 62.480 62.480 63.120 -0.640 19579 12020 1 18 . 1 1 106 106 SER H H 106 7.685 7.685 7.679 0.006 19579 12021 1 18 . 1 1 107 107 THR N N 107 121.741 121.741 118.649 3.092 19579 12022 1 18 . 1 1 107 107 THR HA H 107 4.373 4.373 4.173 0.200 19579 12023 1 18 . 1 1 107 107 THR C C 107 176.227 176.227 176.120 0.107 19579 12024 1 18 . 1 1 107 107 THR CA C 107 66.648 66.648 66.130 0.518 19579 12025 1 18 . 1 1 107 107 THR CB C 107 66.884 66.884 68.945 -2.062 19579 12026 1 18 . 1 1 107 107 THR H H 107 8.024 8.024 7.524 0.500 19579 12027 1 18 . 1 1 108 108 LEU N N 108 122.175 122.175 121.194 0.981 19579 12028 1 18 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.936 -0.020 19579 12029 1 18 . 1 1 108 108 LEU C C 108 178.560 178.560 178.338 0.222 19579 12030 1 18 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.662 1.507 19579 12031 1 18 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.330 -0.301 19579 12032 1 18 . 1 1 108 108 LEU H H 108 8.475 8.475 8.009 0.466 19579 12033 1 18 . 1 1 109 109 ASN N N 109 116.499 116.499 117.582 -1.083 19579 12034 1 18 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.463 0.023 19579 12035 1 18 . 1 1 109 109 ASN C C 109 177.181 177.181 177.341 -0.160 19579 12036 1 18 . 1 1 109 109 ASN CA C 109 56.499 56.499 56.105 0.394 19579 12037 1 18 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.679 0.306 19579 12038 1 18 . 1 1 109 109 ASN H H 109 7.567 7.567 7.712 -0.145 19579 12039 1 18 . 1 1 110 110 VAL N N 110 121.382 121.382 120.370 1.012 19579 12040 1 18 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.866 0.011 19579 12041 1 18 . 1 1 110 110 VAL C C 110 180.116 180.116 177.579 2.537 19579 12042 1 18 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.029 1.207 19579 12043 1 18 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.861 -0.301 19579 12044 1 18 . 1 1 110 110 VAL H H 110 7.978 7.978 7.456 0.522 19579 12045 1 18 . 1 1 111 111 VAL N N 111 123.748 123.748 121.101 2.647 19579 12046 1 18 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.901 -0.543 19579 12047 1 18 . 1 1 111 111 VAL C C 111 177.424 177.424 177.273 0.151 19579 12048 1 18 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.837 3.345 19579 12049 1 18 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.378 -0.272 19579 12050 1 18 . 1 1 111 111 VAL H H 111 8.228 8.228 7.461 0.767 19579 12051 1 18 . 1 1 112 112 GLN N N 112 120.331 120.331 118.451 1.880 19579 12052 1 18 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.981 -0.383 19579 12053 1 18 . 1 1 112 112 GLN C C 112 178.329 178.329 178.142 0.187 19579 12054 1 18 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.466 0.843 19579 12055 1 18 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.259 1.882 19579 12056 1 18 . 1 1 112 112 GLN H H 112 8.719 8.719 7.781 0.938 19579 12057 1 18 . 1 1 113 113 ASP N N 113 117.931 117.931 117.279 0.652 19579 12058 1 18 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.471 -0.121 19579 12059 1 18 . 1 1 113 113 ASP C C 113 178.406 178.406 177.665 0.741 19579 12060 1 18 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.602 0.427 19579 12061 1 18 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.891 0.404 19579 12062 1 18 . 1 1 113 113 ASP H H 113 8.410 8.410 7.891 0.519 19579 12063 1 18 . 1 1 114 114 SER N N 114 113.798 113.798 114.723 -0.925 19579 12064 1 18 . 1 1 114 114 SER HA H 114 4.310 4.310 4.383 -0.073 19579 12065 1 18 . 1 1 114 114 SER C C 114 175.416 175.416 176.109 -0.693 19579 12066 1 18 . 1 1 114 114 SER CA C 114 61.981 61.981 60.806 1.175 19579 12067 1 18 . 1 1 114 114 SER CB C 114 63.618 63.618 64.066 -0.448 19579 12068 1 18 . 1 1 114 114 SER H H 114 7.973 7.973 7.580 0.393 19579 12069 1 18 . 1 1 115 115 VAL N N 115 115.306 115.306 121.205 -5.899 19579 12070 1 18 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.467 -0.260 19579 12071 1 18 . 1 1 115 115 VAL C C 115 177.325 177.325 177.238 0.087 19579 12072 1 18 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.551 0.713 19579 12073 1 18 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.318 0.049 19579 12074 1 18 . 1 1 115 115 VAL H H 115 8.090 8.090 8.242 -0.152 19579 12075 1 18 . 1 1 116 116 GLY N N 116 107.952 107.952 109.244 -1.292 19579 12076 1 18 . 1 1 116 116 GLY C C 116 175.129 175.129 175.038 0.091 19579 12077 1 18 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.678 0.152 19579 12078 1 18 . 1 1 116 116 GLY H H 116 7.991 7.991 7.944 0.047 19579 12079 1 18 . 1 1 117 117 GLN N N 117 116.191 116.191 117.998 -1.807 19579 12080 1 18 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.966 0.087 19579 12081 1 18 . 1 1 117 117 GLN C C 117 176.056 176.056 176.238 -0.182 19579 12082 1 18 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.384 -0.328 19579 12083 1 18 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.644 0.848 19579 12084 1 18 . 1 1 117 117 GLN H H 117 7.721 7.721 8.085 -0.364 19579 12085 1 18 . 1 1 118 118 TYR N N 118 116.504 116.504 118.556 -2.052 19579 12086 1 18 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.399 -0.173 19579 12087 1 18 . 1 1 118 118 TYR C C 118 174.919 174.919 177.294 -2.375 19579 12088 1 18 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.470 -0.819 19579 12089 1 18 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.428 -0.437 19579 12090 1 18 . 1 1 118 118 TYR H H 118 7.685 7.685 8.066 -0.381 19579 12091 1 18 . 1 1 119 119 VAL N N 119 115.145 115.145 118.139 -2.994 19579 12092 1 18 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.031 0.163 19579 12093 1 18 . 1 1 119 119 VAL C C 119 174.666 174.666 177.138 -2.472 19579 12094 1 18 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.867 -1.905 19579 12095 1 18 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.908 0.709 19579 12096 1 18 . 1 1 119 119 VAL H H 119 7.132 7.132 7.747 -0.615 19579 12097 1 19 . 1 1 -4 -4 SER CB C -4 63.876 63.876 63.489 0.387 19579 12098 1 19 . 1 1 -2 -2 ASN N N -2 118.808 118.808 122.991 -4.183 19579 12099 1 19 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.496 0.688 19579 12100 1 19 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.143 0.256 19579 12101 1 19 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.808 -0.501 19579 12102 1 19 . 1 1 2 2 THR N N 2 116.876 116.876 122.768 -5.892 19579 12103 1 19 . 1 1 2 2 THR HA H 2 4.348 4.348 4.728 -0.380 19579 12104 1 19 . 1 1 2 2 THR C C 2 174.600 174.600 173.758 0.842 19579 12105 1 19 . 1 1 2 2 THR CA C 2 61.785 61.785 61.320 0.465 19579 12106 1 19 . 1 1 2 2 THR CB C 2 69.800 69.800 69.965 -0.165 19579 12107 1 19 . 1 1 2 2 THR H H 2 8.176 8.176 8.515 -0.340 19579 12108 1 19 . 1 1 3 3 SER N N 3 117.968 117.968 114.865 3.103 19579 12109 1 19 . 1 1 3 3 SER C C 3 174.732 174.732 173.484 1.248 19579 12110 1 19 . 1 1 3 3 SER CA C 3 58.585 58.585 57.706 0.879 19579 12111 1 19 . 1 1 3 3 SER H H 3 8.248 8.248 8.404 -0.156 19579 12112 1 19 . 1 1 5 5 GLY N N 5 108.381 108.381 105.234 3.147 19579 12113 1 19 . 1 1 5 5 GLY C C 5 173.728 173.728 173.495 0.233 19579 12114 1 19 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.125 0.090 19579 12115 1 19 . 1 1 5 5 GLY H H 5 8.134 8.134 8.167 -0.033 19579 12116 1 19 . 1 1 6 6 TYR N N 6 120.011 120.011 120.556 -0.545 19579 12117 1 19 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.546 -0.082 19579 12118 1 19 . 1 1 6 6 TYR C C 6 176.232 176.232 175.353 0.879 19579 12119 1 19 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.381 0.794 19579 12120 1 19 . 1 1 6 6 TYR CB C 6 38.764 38.764 38.256 0.508 19579 12121 1 19 . 1 1 6 6 TYR H H 6 8.096 8.096 7.893 0.203 19579 12122 1 19 . 1 1 7 7 GLY N N 7 110.530 110.530 112.173 -1.643 19579 12123 1 19 . 1 1 7 7 GLY C C 7 173.772 173.772 172.657 1.115 19579 12124 1 19 . 1 1 7 7 GLY CA C 7 45.222 45.222 45.434 -0.212 19579 12125 1 19 . 1 1 7 7 GLY H H 7 8.283 8.283 8.040 0.243 19579 12126 1 19 . 1 1 8 8 TYR N N 8 120.132 120.132 120.602 -0.470 19579 12127 1 19 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.882 -0.399 19579 12128 1 19 . 1 1 8 8 TYR C C 8 176.420 176.420 176.303 0.117 19579 12129 1 19 . 1 1 8 8 TYR CA C 8 58.334 58.334 56.885 1.449 19579 12130 1 19 . 1 1 8 8 TYR CB C 8 38.745 38.745 40.238 -1.493 19579 12131 1 19 . 1 1 8 8 TYR H H 8 7.987 7.987 8.321 -0.334 19579 12132 1 19 . 1 1 9 9 GLY N N 9 110.831 110.831 109.378 1.453 19579 12133 1 19 . 1 1 9 9 GLY C C 9 174.335 174.335 173.406 0.929 19579 12134 1 19 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.419 1.030 19579 12135 1 19 . 1 1 9 9 GLY H H 9 8.400 8.400 8.651 -0.251 19579 12136 1 19 . 1 1 10 10 THR N N 10 113.216 113.216 114.768 -1.552 19579 12137 1 19 . 1 1 10 10 THR HA H 10 4.366 4.366 4.659 -0.293 19579 12138 1 19 . 1 1 10 10 THR C C 10 174.721 174.721 174.234 0.487 19579 12139 1 19 . 1 1 10 10 THR CA C 10 61.829 61.829 61.915 -0.086 19579 12140 1 19 . 1 1 10 10 THR CB C 10 69.881 69.881 68.990 0.891 19579 12141 1 19 . 1 1 10 10 THR H H 10 8.012 8.012 7.939 0.073 19579 12142 1 19 . 1 1 11 11 SER N N 11 117.904 117.904 120.257 -2.353 19579 12143 1 19 . 1 1 11 11 SER HA H 11 4.414 4.414 4.748 -0.334 19579 12144 1 19 . 1 1 11 11 SER C C 11 174.335 174.335 173.604 0.731 19579 12145 1 19 . 1 1 11 11 SER CA C 11 58.363 58.363 57.819 0.543 19579 12146 1 19 . 1 1 11 11 SER CB C 11 63.911 63.911 65.144 -1.233 19579 12147 1 19 . 1 1 11 11 SER H H 11 8.342 8.342 8.404 -0.062 19579 12148 1 19 . 1 1 12 12 ALA N N 12 126.003 126.003 125.695 0.308 19579 12149 1 19 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.441 -0.203 19579 12150 1 19 . 1 1 12 12 ALA C C 12 177.468 177.468 176.024 1.444 19579 12151 1 19 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.149 0.623 19579 12152 1 19 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.885 -0.797 19579 12153 1 19 . 1 1 12 12 ALA H H 12 8.274 8.274 8.332 -0.058 19579 12154 1 19 . 1 1 13 13 ALA N N 13 122.954 122.954 126.190 -3.236 19579 12155 1 19 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.904 -0.679 19579 12156 1 19 . 1 1 13 13 ALA C C 13 178.207 178.207 176.296 1.911 19579 12157 1 19 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.397 0.182 19579 12158 1 19 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.625 -0.334 19579 12159 1 19 . 1 1 13 13 ALA H H 13 8.121 8.121 8.479 -0.358 19579 12160 1 19 . 1 1 14 14 ALA N N 14 123.733 123.733 124.508 -0.775 19579 12161 1 19 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.605 -0.348 19579 12162 1 19 . 1 1 14 14 ALA C C 14 178.227 178.227 175.681 2.546 19579 12163 1 19 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.090 0.659 19579 12164 1 19 . 1 1 14 14 ALA CB C 14 19.276 19.276 20.177 -0.901 19579 12165 1 19 . 1 1 14 14 ALA H H 14 8.262 8.262 8.283 -0.021 19579 12166 1 19 . 1 1 15 15 GLY N N 15 108.014 108.014 107.987 0.027 19579 12167 1 19 . 1 1 15 15 GLY C C 15 173.849 173.849 172.486 1.363 19579 12168 1 19 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.762 -0.451 19579 12169 1 19 . 1 1 15 15 GLY H H 15 8.239 8.239 8.485 -0.246 19579 12170 1 19 . 1 1 16 16 ALA N N 16 123.529 123.529 123.007 0.522 19579 12171 1 19 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.879 -0.581 19579 12172 1 19 . 1 1 16 16 ALA C C 16 178.108 178.108 175.158 2.950 19579 12173 1 19 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.692 1.019 19579 12174 1 19 . 1 1 16 16 ALA CB C 16 19.316 19.316 20.947 -1.631 19579 12175 1 19 . 1 1 16 16 ALA H H 16 8.102 8.102 7.727 0.375 19579 12176 1 19 . 1 1 17 17 GLY N N 17 108.099 108.099 106.247 1.852 19579 12177 1 19 . 1 1 17 17 GLY C C 17 174.081 174.081 173.691 0.390 19579 12178 1 19 . 1 1 17 17 GLY CA C 17 45.235 45.235 46.072 -0.837 19579 12179 1 19 . 1 1 17 17 GLY H H 17 8.356 8.356 8.456 -0.100 19579 12180 1 19 . 1 1 18 18 VAL N N 18 119.220 119.220 121.014 -1.794 19579 12181 1 19 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.235 -0.168 19579 12182 1 19 . 1 1 18 18 VAL C C 18 175.946 175.946 175.984 -0.038 19579 12183 1 19 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.867 0.416 19579 12184 1 19 . 1 1 18 18 VAL CB C 18 32.764 32.764 31.921 0.843 19579 12185 1 19 . 1 1 18 18 VAL H H 18 7.899 7.899 7.944 -0.045 19579 12186 1 19 . 1 1 19 19 ALA N N 19 127.804 127.804 120.715 7.089 19579 12187 1 19 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.789 0.498 19579 12188 1 19 . 1 1 19 19 ALA C C 19 177.303 177.303 176.597 0.706 19579 12189 1 19 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.713 -1.253 19579 12190 1 19 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.516 1.783 19579 12191 1 19 . 1 1 19 19 ALA H H 19 8.377 8.377 8.061 0.316 19579 12192 1 19 . 1 1 20 20 ALA N N 20 123.602 123.602 121.348 2.254 19579 12193 1 19 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.576 -0.297 19579 12194 1 19 . 1 1 20 20 ALA C C 20 178.086 178.086 178.139 -0.053 19579 12195 1 19 . 1 1 20 20 ALA CA C 20 52.752 52.752 50.830 1.923 19579 12196 1 19 . 1 1 20 20 ALA CB C 20 19.315 19.315 18.199 1.116 19579 12197 1 19 . 1 1 20 20 ALA H H 20 8.261 8.261 7.964 0.297 19579 12198 1 19 . 1 1 21 21 GLY N N 21 108.033 108.033 114.767 -6.734 19579 12199 1 19 . 1 1 21 21 GLY C C 21 174.213 174.213 174.782 -0.569 19579 12200 1 19 . 1 1 21 21 GLY CA C 21 45.291 45.291 45.434 -0.142 19579 12201 1 19 . 1 1 21 21 GLY H H 21 8.323 8.323 8.282 0.041 19579 12202 1 19 . 1 1 22 22 SER N N 22 115.596 115.596 121.401 -5.805 19579 12203 1 19 . 1 1 22 22 SER HA H 22 4.369 4.369 4.565 -0.196 19579 12204 1 19 . 1 1 22 22 SER C C 22 175.328 175.328 173.368 1.960 19579 12205 1 19 . 1 1 22 22 SER CA C 22 58.686 58.686 57.489 1.197 19579 12206 1 19 . 1 1 22 22 SER CB C 22 63.915 63.915 62.784 1.131 19579 12207 1 19 . 1 1 22 22 SER H H 22 8.118 8.118 8.445 -0.327 19579 12208 1 19 . 1 1 23 23 TYR N N 23 121.490 121.490 119.506 1.984 19579 12209 1 19 . 1 1 23 23 TYR HA H 23 4.769 4.769 4.652 0.117 19579 12210 1 19 . 1 1 23 23 TYR C C 23 175.890 175.890 175.105 0.785 19579 12211 1 19 . 1 1 23 23 TYR CA C 23 57.724 57.724 57.132 0.592 19579 12212 1 19 . 1 1 23 23 TYR CB C 23 37.863 37.863 39.487 -1.624 19579 12213 1 19 . 1 1 23 23 TYR H H 23 8.620 8.620 6.986 1.634 19579 12214 1 19 . 1 1 24 24 ALA N N 24 121.940 121.940 123.671 -1.731 19579 12215 1 19 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.581 -0.700 19579 12216 1 19 . 1 1 24 24 ALA C C 24 179.366 179.366 177.511 1.855 19579 12217 1 19 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.480 2.913 19579 12218 1 19 . 1 1 24 24 ALA CB C 24 18.540 18.540 19.258 -0.718 19579 12219 1 19 . 1 1 24 24 ALA H H 24 8.127 8.127 8.544 -0.417 19579 12220 1 19 . 1 1 25 25 GLY N N 25 106.527 106.527 109.078 -2.551 19579 12221 1 19 . 1 1 25 25 GLY C C 25 175.074 175.074 175.223 -0.149 19579 12222 1 19 . 1 1 25 25 GLY CA C 25 47.197 47.197 46.560 0.637 19579 12223 1 19 . 1 1 25 25 GLY H H 25 8.647 8.647 8.307 0.340 19579 12224 1 19 . 1 1 26 26 ALA N N 26 122.752 122.752 125.206 -2.454 19579 12225 1 19 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.199 -0.172 19579 12226 1 19 . 1 1 26 26 ALA C C 26 177.490 177.490 180.248 -2.758 19579 12227 1 19 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.949 -0.413 19579 12228 1 19 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.273 0.703 19579 12229 1 19 . 1 1 26 26 ALA H H 26 7.552 7.552 8.533 -0.981 19579 12230 1 19 . 1 1 27 27 VAL N N 27 113.110 113.110 115.720 -2.610 19579 12231 1 19 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.687 -0.226 19579 12232 1 19 . 1 1 27 27 VAL C C 27 179.366 179.366 177.850 1.516 19579 12233 1 19 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.716 -0.153 19579 12234 1 19 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.411 0.684 19579 12235 1 19 . 1 1 27 27 VAL H H 27 7.283 7.283 7.941 -0.658 19579 12236 1 19 . 1 1 28 28 ASN N N 28 119.671 119.671 117.567 2.104 19579 12237 1 19 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.500 -0.145 19579 12238 1 19 . 1 1 28 28 ASN C C 28 177.667 177.667 176.283 1.384 19579 12239 1 19 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.385 0.707 19579 12240 1 19 . 1 1 28 28 ASN CB C 28 38.320 38.320 38.033 0.287 19579 12241 1 19 . 1 1 28 28 ASN H H 28 8.374 8.374 7.984 0.390 19579 12242 1 19 . 1 1 29 29 ARG N N 29 116.957 116.957 117.630 -0.673 19579 12243 1 19 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.287 -0.169 19579 12244 1 19 . 1 1 29 29 ARG C C 29 177.457 177.457 177.043 0.414 19579 12245 1 19 . 1 1 29 29 ARG CA C 29 58.695 58.695 56.460 2.235 19579 12246 1 19 . 1 1 29 29 ARG CB C 29 30.137 30.137 30.404 -0.267 19579 12247 1 19 . 1 1 29 29 ARG H H 29 7.860 7.860 7.368 0.492 19579 12248 1 19 . 1 1 30 30 LEU N N 30 121.060 121.060 120.576 0.484 19579 12249 1 19 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.176 -0.222 19579 12250 1 19 . 1 1 30 30 LEU C C 30 174.975 174.975 178.547 -3.572 19579 12251 1 19 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.650 -0.428 19579 12252 1 19 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.944 -0.986 19579 12253 1 19 . 1 1 30 30 LEU H H 30 7.524 7.524 7.939 -0.415 19579 12254 1 19 . 1 1 31 31 SER N N 31 106.764 106.764 113.496 -6.732 19579 12255 1 19 . 1 1 31 31 SER HA H 31 4.523 4.523 4.448 0.075 19579 12256 1 19 . 1 1 31 31 SER C C 31 174.666 174.666 173.576 1.090 19579 12257 1 19 . 1 1 31 31 SER CA C 31 57.680 57.680 58.527 -0.847 19579 12258 1 19 . 1 1 31 31 SER CB C 31 63.290 63.290 61.517 1.772 19579 12259 1 19 . 1 1 31 31 SER H H 31 7.046 7.046 8.080 -1.034 19579 12260 1 19 . 1 1 32 32 SER N N 32 117.235 117.235 116.341 0.894 19579 12261 1 19 . 1 1 32 32 SER HA H 32 4.383 4.383 4.757 -0.374 19579 12262 1 19 . 1 1 32 32 SER C C 32 174.677 174.677 174.051 0.626 19579 12263 1 19 . 1 1 32 32 SER CA C 32 58.027 58.027 57.444 0.583 19579 12264 1 19 . 1 1 32 32 SER CB C 32 66.069 66.069 64.313 1.756 19579 12265 1 19 . 1 1 32 32 SER H H 32 7.721 7.721 7.877 -0.156 19579 12266 1 19 . 1 1 33 33 ALA N N 33 126.048 126.048 123.825 2.223 19579 12267 1 19 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.162 -0.064 19579 12268 1 19 . 1 1 33 33 ALA C C 33 180.822 180.822 179.285 1.537 19579 12269 1 19 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.603 0.138 19579 12270 1 19 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.771 -0.743 19579 12271 1 19 . 1 1 33 33 ALA H H 33 8.980 8.980 8.723 0.257 19579 12272 1 19 . 1 1 34 34 GLU N N 34 117.978 117.978 119.941 -1.963 19579 12273 1 19 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.926 0.009 19579 12274 1 19 . 1 1 34 34 GLU C C 34 178.560 178.560 178.842 -0.282 19579 12275 1 19 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.106 1.268 19579 12276 1 19 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.335 -0.522 19579 12277 1 19 . 1 1 34 34 GLU H H 34 8.993 8.993 8.006 0.987 19579 12278 1 19 . 1 1 35 35 ALA N N 35 123.748 123.748 121.816 1.932 19579 12279 1 19 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.371 -0.320 19579 12280 1 19 . 1 1 35 35 ALA C C 35 179.101 179.101 179.600 -0.499 19579 12281 1 19 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.825 0.593 19579 12282 1 19 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.420 0.864 19579 12283 1 19 . 1 1 35 35 ALA H H 35 7.443 7.443 7.676 -0.233 19579 12284 1 19 . 1 1 36 36 ALA N N 36 118.503 118.503 119.421 -0.918 19579 12285 1 19 . 1 1 36 36 ALA HA H 36 3.755 3.755 4.011 -0.256 19579 12286 1 19 . 1 1 36 36 ALA C C 36 180.745 180.745 179.893 0.852 19579 12287 1 19 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.100 0.441 19579 12288 1 19 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.089 -1.063 19579 12289 1 19 . 1 1 36 36 ALA H H 36 7.484 7.484 7.922 -0.438 19579 12290 1 19 . 1 1 37 37 SER N N 37 114.688 114.688 114.065 0.623 19579 12291 1 19 . 1 1 37 37 SER HA H 37 4.170 4.170 4.204 -0.034 19579 12292 1 19 . 1 1 37 37 SER C C 37 177.214 177.214 176.228 0.986 19579 12293 1 19 . 1 1 37 37 SER CA C 37 61.628 61.628 62.299 -0.671 19579 12294 1 19 . 1 1 37 37 SER CB C 37 62.653 62.653 63.293 -0.640 19579 12295 1 19 . 1 1 37 37 SER H H 37 8.178 8.178 7.657 0.521 19579 12296 1 19 . 1 1 38 38 ARG N N 38 123.817 123.817 121.804 2.013 19579 12297 1 19 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.197 -0.193 19579 12298 1 19 . 1 1 38 38 ARG C C 38 179.564 179.564 178.845 0.719 19579 12299 1 19 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.095 1.562 19579 12300 1 19 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.340 1.473 19579 12301 1 19 . 1 1 38 38 ARG H H 38 7.882 7.882 7.495 0.387 19579 12302 1 19 . 1 1 39 39 VAL N N 39 120.446 120.446 119.697 0.749 19579 12303 1 19 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.781 -0.452 19579 12304 1 19 . 1 1 39 39 VAL C C 39 178.505 178.505 177.151 1.354 19579 12305 1 19 . 1 1 39 39 VAL CA C 39 68.194 68.194 65.792 2.402 19579 12306 1 19 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.321 0.249 19579 12307 1 19 . 1 1 39 39 VAL H H 39 8.543 8.543 8.562 -0.019 19579 12308 1 19 . 1 1 40 40 SER N N 40 114.009 114.009 114.685 -0.676 19579 12309 1 19 . 1 1 40 40 SER HA H 40 4.080 4.080 4.077 0.003 19579 12310 1 19 . 1 1 40 40 SER C C 40 176.340 176.340 176.050 0.290 19579 12311 1 19 . 1 1 40 40 SER CA C 40 62.940 62.940 61.534 1.406 19579 12312 1 19 . 1 1 40 40 SER CB C 40 62.953 62.953 62.843 0.110 19579 12313 1 19 . 1 1 40 40 SER H H 40 8.602 8.602 7.846 0.756 19579 12314 1 19 . 1 1 41 41 SER N N 41 114.648 114.648 115.006 -0.358 19579 12315 1 19 . 1 1 41 41 SER HA H 41 4.333 4.333 4.464 -0.131 19579 12316 1 19 . 1 1 41 41 SER C C 41 174.390 174.390 174.645 -0.255 19579 12317 1 19 . 1 1 41 41 SER CA C 41 60.828 60.828 59.896 0.932 19579 12318 1 19 . 1 1 41 41 SER CB C 41 63.563 63.563 63.298 0.265 19579 12319 1 19 . 1 1 41 41 SER H H 41 8.003 8.003 7.577 0.426 19579 12320 1 19 . 1 1 42 42 ASN N N 42 117.849 117.849 119.611 -1.762 19579 12321 1 19 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.955 0.009 19579 12322 1 19 . 1 1 42 42 ASN C C 42 174.677 174.677 176.689 -2.012 19579 12323 1 19 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.436 0.927 19579 12324 1 19 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.288 1.978 19579 12325 1 19 . 1 1 42 42 ASN H H 42 7.600 7.600 7.930 -0.330 19579 12326 1 19 . 1 1 43 43 ILE N N 43 116.952 116.952 118.428 -1.476 19579 12327 1 19 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.788 -0.117 19579 12328 1 19 . 1 1 43 43 ILE C C 43 176.773 176.773 176.846 -0.073 19579 12329 1 19 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.578 -0.351 19579 12330 1 19 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.261 0.149 19579 12331 1 19 . 1 1 43 43 ILE H H 43 7.336 7.336 8.809 -1.473 19579 12332 1 19 . 1 1 44 44 ALA N N 44 122.396 122.396 121.773 0.623 19579 12333 1 19 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.931 0.105 19579 12334 1 19 . 1 1 44 44 ALA C C 44 180.304 180.304 178.665 1.639 19579 12335 1 19 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.829 0.559 19579 12336 1 19 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.100 -0.612 19579 12337 1 19 . 1 1 44 44 ALA H H 44 8.617 8.617 8.310 0.307 19579 12338 1 19 . 1 1 45 45 ALA N N 45 120.804 120.804 121.524 -0.720 19579 12339 1 19 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.153 -0.100 19579 12340 1 19 . 1 1 45 45 ALA C C 45 180.591 180.591 179.690 0.901 19579 12341 1 19 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.755 -0.003 19579 12342 1 19 . 1 1 45 45 ALA CB C 45 18.617 18.617 18.567 0.050 19579 12343 1 19 . 1 1 45 45 ALA H H 45 7.913 7.913 7.584 0.329 19579 12344 1 19 . 1 1 46 46 ILE N N 46 117.637 117.637 118.094 -0.457 19579 12345 1 19 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.729 -0.101 19579 12346 1 19 . 1 1 46 46 ILE C C 46 177.612 177.612 177.672 -0.060 19579 12347 1 19 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.416 -1.137 19579 12348 1 19 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.863 -0.203 19579 12349 1 19 . 1 1 46 46 ILE H H 46 7.313 7.313 7.569 -0.256 19579 12350 1 19 . 1 1 47 47 ALA N N 47 121.493 121.493 120.332 1.161 19579 12351 1 19 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.130 -0.186 19579 12352 1 19 . 1 1 47 47 ALA C C 47 178.538 178.538 178.374 0.164 19579 12353 1 19 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.417 0.970 19579 12354 1 19 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.789 0.190 19579 12355 1 19 . 1 1 47 47 ALA H H 47 8.413 8.413 8.338 0.075 19579 12356 1 19 . 1 1 48 48 SER N N 48 109.024 109.024 113.514 -4.490 19579 12357 1 19 . 1 1 48 48 SER HA H 48 4.352 4.352 4.583 -0.231 19579 12358 1 19 . 1 1 48 48 SER C C 48 176.056 176.056 175.132 0.924 19579 12359 1 19 . 1 1 48 48 SER CA C 48 59.977 59.977 60.013 -0.036 19579 12360 1 19 . 1 1 48 48 SER CB C 48 63.838 63.838 64.416 -0.578 19579 12361 1 19 . 1 1 48 48 SER H H 48 8.030 8.030 7.488 0.542 19579 12362 1 19 . 1 1 49 49 GLY N N 49 108.121 108.121 107.281 0.840 19579 12363 1 19 . 1 1 49 49 GLY C C 49 174.820 174.820 174.877 -0.057 19579 12364 1 19 . 1 1 49 49 GLY CA C 49 45.193 45.193 44.956 0.237 19579 12365 1 19 . 1 1 49 49 GLY H H 49 8.048 8.048 7.775 0.273 19579 12366 1 19 . 1 1 50 50 GLY N N 50 111.955 111.955 108.592 3.363 19579 12367 1 19 . 1 1 50 50 GLY C C 50 174.975 174.975 174.086 0.889 19579 12368 1 19 . 1 1 50 50 GLY CA C 50 46.182 46.182 45.899 0.283 19579 12369 1 19 . 1 1 50 50 GLY H H 50 8.409 8.409 8.247 0.162 19579 12370 1 19 . 1 1 51 51 ALA N N 51 126.247 126.247 122.259 3.988 19579 12371 1 19 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.535 -0.716 19579 12372 1 19 . 1 1 51 51 ALA C C 51 179.697 179.697 178.750 0.947 19579 12373 1 19 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.194 2.865 19579 12374 1 19 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.179 -0.900 19579 12375 1 19 . 1 1 51 51 ALA H H 51 9.119 9.119 8.015 1.104 19579 12376 1 19 . 1 1 52 52 SER N N 52 111.975 111.975 116.415 -4.440 19579 12377 1 19 . 1 1 52 52 SER HA H 52 4.222 4.222 4.262 -0.040 19579 12378 1 19 . 1 1 52 52 SER C C 52 174.983 174.983 175.550 -0.567 19579 12379 1 19 . 1 1 52 52 SER CA C 52 60.814 60.814 61.140 -0.326 19579 12380 1 19 . 1 1 52 52 SER CB C 52 62.977 62.977 62.956 0.021 19579 12381 1 19 . 1 1 52 52 SER H H 52 8.231 8.231 8.655 -0.424 19579 12382 1 19 . 1 1 53 53 ALA N N 53 122.484 122.484 122.630 -0.146 19579 12383 1 19 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.395 0.007 19579 12384 1 19 . 1 1 53 53 ALA C C 53 177.391 177.391 178.732 -1.341 19579 12385 1 19 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.023 -0.896 19579 12386 1 19 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.566 1.380 19579 12387 1 19 . 1 1 53 53 ALA H H 53 7.602 7.602 8.084 -0.482 19579 12388 1 19 . 1 1 54 54 LEU N N 54 117.414 117.414 120.629 -3.215 19579 12389 1 19 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.078 -0.199 19579 12390 1 19 . 1 1 54 54 LEU C C 54 174.434 174.434 175.908 -1.474 19579 12391 1 19 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.175 0.140 19579 12392 1 19 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.496 0.124 19579 12393 1 19 . 1 1 54 54 LEU H H 54 7.408 7.408 7.690 -0.282 19579 12394 1 19 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.358 -0.167 19579 12395 1 19 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.361 1.573 19579 12396 1 19 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.041 0.009 19579 12397 1 19 . 1 1 56 56 SER N N 56 113.559 113.559 113.935 -0.376 19579 12398 1 19 . 1 1 56 56 SER HA H 56 4.234 4.234 4.461 -0.227 19579 12399 1 19 . 1 1 56 56 SER C C 56 176.552 176.552 176.322 0.230 19579 12400 1 19 . 1 1 56 56 SER CA C 56 61.233 61.233 61.062 0.171 19579 12401 1 19 . 1 1 56 56 SER CB C 56 62.733 62.733 63.223 -0.490 19579 12402 1 19 . 1 1 56 56 SER H H 56 7.834 7.834 7.395 0.439 19579 12403 1 19 . 1 1 57 57 VAL N N 57 123.292 123.292 123.719 -0.427 19579 12404 1 19 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.053 -0.310 19579 12405 1 19 . 1 1 57 57 VAL C C 57 178.042 178.042 178.167 -0.125 19579 12406 1 19 . 1 1 57 57 VAL CA C 57 66.460 66.460 65.821 0.639 19579 12407 1 19 . 1 1 57 57 VAL CB C 57 31.768 31.768 31.628 0.140 19579 12408 1 19 . 1 1 57 57 VAL H H 57 8.263 8.263 8.452 -0.189 19579 12409 1 19 . 1 1 58 58 ILE N N 58 118.510 118.510 119.628 -1.118 19579 12410 1 19 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.756 -0.072 19579 12411 1 19 . 1 1 58 58 ILE C C 58 176.221 176.221 178.837 -2.616 19579 12412 1 19 . 1 1 58 58 ILE CA C 58 65.082 65.082 65.758 -0.676 19579 12413 1 19 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.673 -0.325 19579 12414 1 19 . 1 1 58 58 ILE H H 58 8.873 8.873 8.304 0.569 19579 12415 1 19 . 1 1 59 59 SER N N 59 114.238 114.238 114.219 0.019 19579 12416 1 19 . 1 1 59 59 SER HA H 59 4.305 4.305 4.585 -0.280 19579 12417 1 19 . 1 1 59 59 SER C C 59 177.534 177.534 176.150 1.384 19579 12418 1 19 . 1 1 59 59 SER CA C 59 61.586 61.586 60.362 1.224 19579 12419 1 19 . 1 1 59 59 SER CB C 59 62.951 62.951 63.051 -0.100 19579 12420 1 19 . 1 1 59 59 SER H H 59 7.388 7.388 8.447 -1.059 19579 12421 1 19 . 1 1 60 60 ASN N N 60 120.810 120.810 120.484 0.326 19579 12422 1 19 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.610 -0.250 19579 12423 1 19 . 1 1 60 60 ASN C C 60 178.616 178.616 177.817 0.799 19579 12424 1 19 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.950 0.765 19579 12425 1 19 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.507 0.489 19579 12426 1 19 . 1 1 60 60 ASN H H 60 8.147 8.147 7.389 0.758 19579 12427 1 19 . 1 1 61 61 ILE N N 61 121.116 121.116 120.229 0.887 19579 12428 1 19 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.671 -0.150 19579 12429 1 19 . 1 1 61 61 ILE C C 61 176.972 176.972 177.502 -0.530 19579 12430 1 19 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.036 1.526 19579 12431 1 19 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.019 0.987 19579 12432 1 19 . 1 1 61 61 ILE H H 61 8.642 8.642 8.094 0.548 19579 12433 1 19 . 1 1 62 62 TYR N N 62 119.953 119.953 119.616 0.337 19579 12434 1 19 . 1 1 62 62 TYR HA H 62 3.623 3.623 4.015 -0.392 19579 12435 1 19 . 1 1 62 62 TYR C C 62 176.828 176.828 177.471 -0.643 19579 12436 1 19 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.568 1.515 19579 12437 1 19 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.499 0.475 19579 12438 1 19 . 1 1 62 62 TYR H H 62 9.192 9.192 7.799 1.393 19579 12439 1 19 . 1 1 63 63 SER N N 63 111.464 111.464 113.993 -2.529 19579 12440 1 19 . 1 1 63 63 SER HA H 63 4.035 4.035 4.262 -0.227 19579 12441 1 19 . 1 1 63 63 SER C C 63 177.325 177.325 177.066 0.259 19579 12442 1 19 . 1 1 63 63 SER CA C 63 62.027 62.027 61.222 0.805 19579 12443 1 19 . 1 1 63 63 SER CB C 63 62.565 62.565 62.541 0.023 19579 12444 1 19 . 1 1 63 63 SER H H 63 8.320 8.320 7.926 0.394 19579 12445 1 19 . 1 1 64 64 GLY N N 64 110.383 110.383 107.882 2.501 19579 12446 1 19 . 1 1 64 64 GLY C C 64 175.581 175.581 175.218 0.363 19579 12447 1 19 . 1 1 64 64 GLY CA C 64 47.314 47.314 45.907 1.407 19579 12448 1 19 . 1 1 64 64 GLY H H 64 7.724 7.724 7.774 -0.050 19579 12449 1 19 . 1 1 65 65 VAL N N 65 124.665 124.665 119.751 4.914 19579 12450 1 19 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.883 -0.639 19579 12451 1 19 . 1 1 65 65 VAL C C 65 180.072 180.072 177.430 2.642 19579 12452 1 19 . 1 1 65 65 VAL CA C 65 67.004 67.004 64.074 2.930 19579 12453 1 19 . 1 1 65 65 VAL CB C 65 31.708 31.708 32.074 -0.366 19579 12454 1 19 . 1 1 65 65 VAL H H 65 8.584 8.584 7.194 1.390 19579 12455 1 19 . 1 1 66 66 VAL N N 66 120.803 120.803 118.329 2.474 19579 12456 1 19 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.574 0.149 19579 12457 1 19 . 1 1 66 66 VAL C C 66 179.829 179.829 177.607 2.222 19579 12458 1 19 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.169 1.046 19579 12459 1 19 . 1 1 66 66 VAL CB C 66 31.755 31.755 30.713 1.042 19579 12460 1 19 . 1 1 66 66 VAL H H 66 8.305 8.305 7.654 0.651 19579 12461 1 19 . 1 1 67 67 ALA N N 67 123.266 123.266 120.335 2.931 19579 12462 1 19 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.148 0.016 19579 12463 1 19 . 1 1 67 67 ALA C C 67 178.560 178.560 179.072 -0.512 19579 12464 1 19 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.211 0.213 19579 12465 1 19 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.370 -0.359 19579 12466 1 19 . 1 1 67 67 ALA H H 67 7.979 7.979 7.501 0.478 19579 12467 1 19 . 1 1 68 68 SER N N 68 112.669 112.669 114.155 -1.486 19579 12468 1 19 . 1 1 68 68 SER HA H 68 4.436 4.436 4.367 0.069 19579 12469 1 19 . 1 1 68 68 SER C C 68 174.555 174.555 175.188 -0.633 19579 12470 1 19 . 1 1 68 68 SER CA C 68 59.634 59.634 58.886 0.748 19579 12471 1 19 . 1 1 68 68 SER CB C 68 63.943 63.943 63.855 0.088 19579 12472 1 19 . 1 1 68 68 SER H H 68 7.674 7.674 7.697 -0.023 19579 12473 1 19 . 1 1 69 69 GLY N N 69 109.146 109.146 109.001 0.145 19579 12474 1 19 . 1 1 69 69 GLY C C 69 173.904 173.904 173.925 -0.021 19579 12475 1 19 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.683 0.548 19579 12476 1 19 . 1 1 69 69 GLY H H 69 7.939 7.939 7.537 0.402 19579 12477 1 19 . 1 1 70 70 VAL N N 70 119.926 119.926 119.377 0.549 19579 12478 1 19 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.210 -0.300 19579 12479 1 19 . 1 1 70 70 VAL C C 70 174.997 174.997 175.751 -0.754 19579 12480 1 19 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.683 0.601 19579 12481 1 19 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.098 -0.674 19579 12482 1 19 . 1 1 70 70 VAL H H 70 6.723 6.723 7.513 -0.790 19579 12483 1 19 . 1 1 71 71 SER N N 71 120.581 120.581 119.301 1.280 19579 12484 1 19 . 1 1 71 71 SER HA H 71 4.386 4.386 4.344 0.042 19579 12485 1 19 . 1 1 71 71 SER C C 71 175.559 175.559 175.450 0.109 19579 12486 1 19 . 1 1 71 71 SER CA C 71 58.441 58.441 58.288 0.153 19579 12487 1 19 . 1 1 71 71 SER CB C 71 64.632 64.632 64.434 0.198 19579 12488 1 19 . 1 1 71 71 SER H H 71 8.577 8.577 8.334 0.243 19579 12489 1 19 . 1 1 72 72 SER N N 72 117.898 117.898 117.310 0.588 19579 12490 1 19 . 1 1 72 72 SER HA H 72 4.083 4.083 4.120 -0.037 19579 12491 1 19 . 1 1 72 72 SER C C 72 176.255 176.255 176.295 -0.040 19579 12492 1 19 . 1 1 72 72 SER CA C 72 61.586 61.586 62.169 -0.584 19579 12493 1 19 . 1 1 72 72 SER CB C 72 62.622 62.622 63.323 -0.701 19579 12494 1 19 . 1 1 72 72 SER H H 72 8.889 8.889 8.662 0.227 19579 12495 1 19 . 1 1 73 73 ASN N N 73 118.976 118.976 117.831 1.145 19579 12496 1 19 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.511 0.146 19579 12497 1 19 . 1 1 73 73 ASN C C 73 176.506 176.506 177.253 -0.747 19579 12498 1 19 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.724 0.337 19579 12499 1 19 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.489 -0.489 19579 12500 1 19 . 1 1 73 73 ASN H H 73 8.519 8.519 8.722 -0.203 19579 12501 1 19 . 1 1 74 74 GLU N N 74 118.543 118.543 118.788 -0.245 19579 12502 1 19 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.035 0.075 19579 12503 1 19 . 1 1 74 74 GLU C C 74 176.994 176.994 177.824 -0.830 19579 12504 1 19 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.030 -0.004 19579 12505 1 19 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.211 2.152 19579 12506 1 19 . 1 1 74 74 GLU H H 74 7.768 7.768 8.526 -0.758 19579 12507 1 19 . 1 1 75 75 ALA N N 75 121.901 121.901 123.781 -1.880 19579 12508 1 19 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.061 -0.371 19579 12509 1 19 . 1 1 75 75 ALA C C 75 178.318 178.318 179.363 -1.045 19579 12510 1 19 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.143 0.085 19579 12511 1 19 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.168 0.473 19579 12512 1 19 . 1 1 75 75 ALA H H 75 8.069 8.069 7.835 0.234 19579 12513 1 19 . 1 1 76 76 LEU N N 76 117.360 117.360 119.733 -2.373 19579 12514 1 19 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.177 -0.067 19579 12515 1 19 . 1 1 76 76 LEU C C 76 177.854 177.854 178.681 -0.827 19579 12516 1 19 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.654 0.360 19579 12517 1 19 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.069 -1.301 19579 12518 1 19 . 1 1 76 76 LEU H H 76 8.121 8.121 7.404 0.717 19579 12519 1 19 . 1 1 77 77 ILE N N 77 116.714 116.714 118.921 -2.207 19579 12520 1 19 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.610 -0.158 19579 12521 1 19 . 1 1 77 77 ILE C C 77 176.883 176.883 178.056 -1.173 19579 12522 1 19 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.832 -0.574 19579 12523 1 19 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.756 -0.014 19579 12524 1 19 . 1 1 77 77 ILE H H 77 7.607 7.607 7.617 -0.010 19579 12525 1 19 . 1 1 78 78 GLN N N 78 119.338 119.338 119.853 -0.515 19579 12526 1 19 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.889 -0.257 19579 12527 1 19 . 1 1 78 78 GLN C C 78 177.521 177.521 178.045 -0.524 19579 12528 1 19 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.016 1.304 19579 12529 1 19 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.041 0.134 19579 12530 1 19 . 1 1 78 78 GLN H H 78 8.119 8.119 8.383 -0.264 19579 12531 1 19 . 1 1 79 79 ALA N N 79 119.218 119.218 121.207 -1.989 19579 12532 1 19 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.049 -0.177 19579 12533 1 19 . 1 1 79 79 ALA C C 79 179.311 179.311 179.938 -0.627 19579 12534 1 19 . 1 1 79 79 ALA CA C 79 54.825 54.825 54.966 -0.141 19579 12535 1 19 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.492 -0.673 19579 12536 1 19 . 1 1 79 79 ALA H H 79 8.639 8.639 7.503 1.136 19579 12537 1 19 . 1 1 80 80 LEU N N 80 116.262 116.262 118.292 -2.030 19579 12538 1 19 . 1 1 80 80 LEU HA H 80 3.899 3.899 3.998 -0.099 19579 12539 1 19 . 1 1 80 80 LEU C C 80 178.914 178.914 179.063 -0.149 19579 12540 1 19 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.291 0.720 19579 12541 1 19 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.730 -0.115 19579 12542 1 19 . 1 1 80 80 LEU H H 80 8.450 8.450 7.613 0.837 19579 12543 1 19 . 1 1 81 81 LEU N N 81 118.995 118.995 120.132 -1.137 19579 12544 1 19 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.896 0.076 19579 12545 1 19 . 1 1 81 81 LEU C C 81 180.127 180.127 179.462 0.665 19579 12546 1 19 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.379 -0.396 19579 12547 1 19 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.133 1.410 19579 12548 1 19 . 1 1 81 81 LEU H H 81 8.151 8.151 8.521 -0.370 19579 12549 1 19 . 1 1 82 82 GLU N N 82 124.890 124.890 119.474 5.416 19579 12550 1 19 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.163 -0.530 19579 12551 1 19 . 1 1 82 82 GLU C C 82 178.505 178.505 179.302 -0.797 19579 12552 1 19 . 1 1 82 82 GLU CA C 82 61.300 61.300 58.852 2.448 19579 12553 1 19 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.508 0.271 19579 12554 1 19 . 1 1 82 82 GLU H H 82 8.659 8.659 7.923 0.736 19579 12555 1 19 . 1 1 83 83 LEU N N 83 121.487 121.487 121.290 0.197 19579 12556 1 19 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.188 -0.368 19579 12557 1 19 . 1 1 83 83 LEU C C 83 178.163 178.163 178.577 -0.414 19579 12558 1 19 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.638 0.517 19579 12559 1 19 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.612 0.022 19579 12560 1 19 . 1 1 83 83 LEU H H 83 8.658 8.658 7.449 1.209 19579 12561 1 19 . 1 1 84 84 LEU N N 84 118.904 118.904 118.962 -0.058 19579 12562 1 19 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.197 -0.411 19579 12563 1 19 . 1 1 84 84 LEU C C 84 178.064 178.064 178.045 0.019 19579 12564 1 19 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.928 1.734 19579 12565 1 19 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.703 1.502 19579 12566 1 19 . 1 1 84 84 LEU H H 84 8.803 8.803 8.393 0.410 19579 12567 1 19 . 1 1 85 85 SER N N 85 114.347 114.347 113.946 0.401 19579 12568 1 19 . 1 1 85 85 SER HA H 85 4.211 4.211 4.505 -0.294 19579 12569 1 19 . 1 1 85 85 SER C C 85 174.633 174.633 175.917 -1.284 19579 12570 1 19 . 1 1 85 85 SER CA C 85 62.957 62.957 59.215 3.742 19579 12571 1 19 . 1 1 85 85 SER CB C 85 62.947 62.947 64.388 -1.441 19579 12572 1 19 . 1 1 85 85 SER H H 85 7.879 7.879 7.470 0.409 19579 12573 1 19 . 1 1 86 86 ALA N N 86 124.206 124.206 126.617 -2.411 19579 12574 1 19 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.093 -0.323 19579 12575 1 19 . 1 1 86 86 ALA C C 86 178.538 178.538 179.234 -0.696 19579 12576 1 19 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.428 -0.062 19579 12577 1 19 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.613 -1.268 19579 12578 1 19 . 1 1 86 86 ALA H H 86 8.199 8.199 7.674 0.525 19579 12579 1 19 . 1 1 87 87 LEU N N 87 116.463 116.463 115.931 0.532 19579 12580 1 19 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.170 -0.349 19579 12581 1 19 . 1 1 87 87 LEU C C 87 178.709 178.709 178.570 0.139 19579 12582 1 19 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.532 0.822 19579 12583 1 19 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.383 2.211 19579 12584 1 19 . 1 1 87 87 LEU H H 87 8.140 8.140 7.496 0.644 19579 12585 1 19 . 1 1 88 88 VAL N N 88 118.854 118.854 120.577 -1.723 19579 12586 1 19 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.647 -0.244 19579 12587 1 19 . 1 1 88 88 VAL C C 88 177.766 177.766 177.952 -0.186 19579 12588 1 19 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.696 -0.031 19579 12589 1 19 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.288 0.159 19579 12590 1 19 . 1 1 88 88 VAL H H 88 8.716 8.716 7.468 1.248 19579 12591 1 19 . 1 1 89 89 HIS N N 89 121.227 121.227 119.312 1.915 19579 12592 1 19 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.127 -0.088 19579 12593 1 19 . 1 1 89 89 HIS C C 89 178.880 178.880 177.445 1.435 19579 12594 1 19 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.654 1.667 19579 12595 1 19 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.319 1.429 19579 12596 1 19 . 1 1 89 89 HIS H H 89 8.664 8.664 7.691 0.973 19579 12597 1 19 . 1 1 90 90 VAL N N 90 118.094 118.094 117.189 0.905 19579 12598 1 19 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.880 -0.313 19579 12599 1 19 . 1 1 90 90 VAL C C 90 177.733 177.733 177.329 0.404 19579 12600 1 19 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.581 1.249 19579 12601 1 19 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.134 0.466 19579 12602 1 19 . 1 1 90 90 VAL H H 90 7.994 7.994 7.557 0.437 19579 12603 1 19 . 1 1 91 91 LEU N N 91 119.672 119.672 120.089 -0.417 19579 12604 1 19 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.093 -0.261 19579 12605 1 19 . 1 1 91 91 LEU C C 91 178.869 178.869 178.957 -0.088 19579 12606 1 19 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.473 0.285 19579 12607 1 19 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.059 1.881 19579 12608 1 19 . 1 1 91 91 LEU H H 91 8.393 8.393 7.583 0.810 19579 12609 1 19 . 1 1 92 92 SER N N 92 113.554 113.554 113.038 0.516 19579 12610 1 19 . 1 1 92 92 SER HA H 92 4.297 4.297 4.079 0.218 19579 12611 1 19 . 1 1 92 92 SER C C 92 174.500 174.500 175.395 -0.895 19579 12612 1 19 . 1 1 92 92 SER CA C 92 61.410 61.410 60.328 1.082 19579 12613 1 19 . 1 1 92 92 SER CB C 92 63.254 63.254 62.948 0.306 19579 12614 1 19 . 1 1 92 92 SER H H 92 7.900 7.900 7.502 0.398 19579 12615 1 19 . 1 1 93 93 SER N N 93 115.055 115.055 115.448 -0.393 19579 12616 1 19 . 1 1 93 93 SER HA H 93 4.704 4.704 4.557 0.147 19579 12617 1 19 . 1 1 93 93 SER C C 93 173.044 173.044 173.884 -0.840 19579 12618 1 19 . 1 1 93 93 SER CA C 93 57.967 57.967 57.991 -0.024 19579 12619 1 19 . 1 1 93 93 SER CB C 93 64.574 64.574 64.163 0.411 19579 12620 1 19 . 1 1 93 93 SER H H 93 7.420 7.420 7.472 -0.052 19579 12621 1 19 . 1 1 94 94 ALA N N 94 124.504 124.504 124.921 -0.417 19579 12622 1 19 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.171 0.458 19579 12623 1 19 . 1 1 94 94 ALA C C 94 176.199 176.199 177.509 -1.310 19579 12624 1 19 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.333 -1.864 19579 12625 1 19 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.054 2.566 19579 12626 1 19 . 1 1 94 94 ALA H H 94 7.476 7.476 7.276 0.200 19579 12627 1 19 . 1 1 95 95 SER N N 95 115.739 115.739 113.257 2.482 19579 12628 1 19 . 1 1 95 95 SER HA H 95 4.758 4.758 3.972 0.786 19579 12629 1 19 . 1 1 95 95 SER C C 95 174.136 174.136 174.458 -0.322 19579 12630 1 19 . 1 1 95 95 SER CA C 95 57.343 57.343 58.692 -1.349 19579 12631 1 19 . 1 1 95 95 SER CB C 95 63.303 63.303 61.022 2.281 19579 12632 1 19 . 1 1 95 95 SER H H 95 8.483 8.483 7.927 0.556 19579 12633 1 19 . 1 1 96 96 ILE N N 96 128.288 128.288 121.357 6.931 19579 12634 1 19 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.138 -0.145 19579 12635 1 19 . 1 1 96 96 ILE C C 96 175.868 175.868 175.357 0.511 19579 12636 1 19 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.201 -0.839 19579 12637 1 19 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.393 -0.780 19579 12638 1 19 . 1 1 96 96 ILE H H 96 8.869 8.869 7.872 0.997 19579 12639 1 19 . 1 1 97 97 GLY N N 97 115.495 115.495 113.929 1.566 19579 12640 1 19 . 1 1 97 97 GLY C C 97 173.022 173.022 173.220 -0.198 19579 12641 1 19 . 1 1 97 97 GLY CA C 97 44.870 44.870 43.921 0.949 19579 12642 1 19 . 1 1 97 97 GLY H H 97 8.272 8.272 8.460 -0.188 19579 12643 1 19 . 1 1 98 98 ASN N N 98 120.819 120.819 119.586 1.233 19579 12644 1 19 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.919 -0.271 19579 12645 1 19 . 1 1 98 98 ASN C C 98 174.809 174.809 174.584 0.225 19579 12646 1 19 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.448 0.978 19579 12647 1 19 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.840 -1.175 19579 12648 1 19 . 1 1 98 98 ASN H H 98 8.420 8.420 8.107 0.313 19579 12649 1 19 . 1 1 99 99 VAL N N 99 122.960 122.960 124.156 -1.196 19579 12650 1 19 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.125 0.049 19579 12651 1 19 . 1 1 99 99 VAL C C 99 174.500 174.500 176.559 -2.059 19579 12652 1 19 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.539 -1.171 19579 12653 1 19 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.511 0.895 19579 12654 1 19 . 1 1 99 99 VAL H H 99 8.292 8.292 8.456 -0.164 19579 12655 1 19 . 1 1 100 100 SER N N 100 120.723 120.723 120.231 0.492 19579 12656 1 19 . 1 1 100 100 SER HA H 100 4.756 4.756 4.515 0.241 19579 12657 1 19 . 1 1 100 100 SER C C 100 174.235 174.235 174.452 -0.217 19579 12658 1 19 . 1 1 100 100 SER CA C 100 56.687 56.687 58.184 -1.497 19579 12659 1 19 . 1 1 100 100 SER CB C 100 64.904 64.904 63.556 1.348 19579 12660 1 19 . 1 1 100 100 SER H H 100 8.644 8.644 8.636 0.008 19579 12661 1 19 . 1 1 101 101 SER N N 101 117.236 117.236 115.904 1.332 19579 12662 1 19 . 1 1 101 101 SER HA H 101 4.130 4.130 4.563 -0.433 19579 12663 1 19 . 1 1 101 101 SER CA C 101 59.000 59.000 58.425 0.575 19579 12664 1 19 . 1 1 101 101 SER CB C 101 63.104 63.104 63.668 -0.564 19579 12665 1 19 . 1 1 102 102 VAL N N 102 124.874 124.874 121.721 3.153 19579 12666 1 19 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.228 -0.407 19579 12667 1 19 . 1 1 102 102 VAL C C 102 177.545 177.545 175.617 1.928 19579 12668 1 19 . 1 1 102 102 VAL CA C 102 64.582 64.582 62.185 2.397 19579 12669 1 19 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.055 -0.575 19579 12670 1 19 . 1 1 102 102 VAL H H 102 8.090 8.090 7.470 0.620 19579 12671 1 19 . 1 1 103 103 GLY N N 103 114.589 114.589 115.229 -0.640 19579 12672 1 19 . 1 1 103 103 GLY C C 103 176.387 176.387 175.809 0.578 19579 12673 1 19 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.991 0.695 19579 12674 1 19 . 1 1 103 103 GLY H H 103 9.051 9.051 8.650 0.401 19579 12675 1 19 . 1 1 104 104 VAL N N 104 121.976 121.976 121.522 0.454 19579 12676 1 19 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.661 -0.313 19579 12677 1 19 . 1 1 104 104 VAL C C 104 176.045 176.045 176.948 -0.903 19579 12678 1 19 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.262 1.627 19579 12679 1 19 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.211 0.054 19579 12680 1 19 . 1 1 104 104 VAL H H 104 7.753 7.753 8.222 -0.469 19579 12681 1 19 . 1 1 105 105 ASP N N 105 117.868 117.868 119.147 -1.279 19579 12682 1 19 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.318 -0.167 19579 12683 1 19 . 1 1 105 105 ASP C C 105 178.406 178.406 178.214 0.192 19579 12684 1 19 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.527 -0.817 19579 12685 1 19 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.780 -2.128 19579 12686 1 19 . 1 1 105 105 ASP H H 105 8.719 8.719 8.667 0.052 19579 12687 1 19 . 1 1 106 106 SER N N 106 117.500 117.500 112.676 4.824 19579 12688 1 19 . 1 1 106 106 SER HA H 106 4.306 4.306 4.325 -0.019 19579 12689 1 19 . 1 1 106 106 SER C C 106 176.784 176.784 176.826 -0.042 19579 12690 1 19 . 1 1 106 106 SER CA C 106 61.523 61.523 61.016 0.507 19579 12691 1 19 . 1 1 106 106 SER CB C 106 62.480 62.480 63.068 -0.588 19579 12692 1 19 . 1 1 106 106 SER H H 106 7.685 7.685 7.700 -0.015 19579 12693 1 19 . 1 1 107 107 THR N N 107 121.741 121.741 120.045 1.696 19579 12694 1 19 . 1 1 107 107 THR HA H 107 4.373 4.373 4.085 0.288 19579 12695 1 19 . 1 1 107 107 THR C C 107 176.227 176.227 176.729 -0.502 19579 12696 1 19 . 1 1 107 107 THR CA C 107 66.648 66.648 65.734 0.914 19579 12697 1 19 . 1 1 107 107 THR CB C 107 66.884 66.884 68.681 -1.797 19579 12698 1 19 . 1 1 107 107 THR H H 107 8.024 8.024 7.469 0.555 19579 12699 1 19 . 1 1 108 108 LEU N N 108 122.175 122.175 121.297 0.878 19579 12700 1 19 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.992 -0.076 19579 12701 1 19 . 1 1 108 108 LEU C C 108 178.560 178.560 177.902 0.658 19579 12702 1 19 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.492 1.677 19579 12703 1 19 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.299 -0.270 19579 12704 1 19 . 1 1 108 108 LEU H H 108 8.475 8.475 8.178 0.297 19579 12705 1 19 . 1 1 109 109 ASN N N 109 116.499 116.499 117.813 -1.314 19579 12706 1 19 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.605 -0.119 19579 12707 1 19 . 1 1 109 109 ASN C C 109 177.181 177.181 177.399 -0.218 19579 12708 1 19 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.932 0.567 19579 12709 1 19 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.569 0.416 19579 12710 1 19 . 1 1 109 109 ASN H H 109 7.567 7.567 7.475 0.092 19579 12711 1 19 . 1 1 110 110 VAL N N 110 121.382 121.382 119.743 1.639 19579 12712 1 19 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.734 0.143 19579 12713 1 19 . 1 1 110 110 VAL C C 110 180.116 180.116 177.896 2.220 19579 12714 1 19 . 1 1 110 110 VAL CA C 110 66.236 66.236 66.107 0.129 19579 12715 1 19 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.814 -0.254 19579 12716 1 19 . 1 1 110 110 VAL H H 110 7.978 7.978 7.585 0.393 19579 12717 1 19 . 1 1 111 111 VAL N N 111 123.748 123.748 119.972 3.776 19579 12718 1 19 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.892 -0.534 19579 12719 1 19 . 1 1 111 111 VAL C C 111 177.424 177.424 177.297 0.127 19579 12720 1 19 . 1 1 111 111 VAL CA C 111 68.182 68.182 64.202 3.980 19579 12721 1 19 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.886 -0.780 19579 12722 1 19 . 1 1 111 111 VAL H H 111 8.228 8.228 7.647 0.581 19579 12723 1 19 . 1 1 112 112 GLN N N 112 120.331 120.331 118.568 1.763 19579 12724 1 19 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.954 -0.356 19579 12725 1 19 . 1 1 112 112 GLN C C 112 178.329 178.329 178.247 0.082 19579 12726 1 19 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.257 1.052 19579 12727 1 19 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.371 1.770 19579 12728 1 19 . 1 1 112 112 GLN H H 112 8.719 8.719 7.709 1.010 19579 12729 1 19 . 1 1 113 113 ASP N N 113 117.931 117.931 117.997 -0.066 19579 12730 1 19 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.520 -0.170 19579 12731 1 19 . 1 1 113 113 ASP C C 113 178.406 178.406 177.659 0.747 19579 12732 1 19 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.449 0.580 19579 12733 1 19 . 1 1 113 113 ASP CB C 113 41.294 41.294 41.104 0.190 19579 12734 1 19 . 1 1 113 113 ASP H H 113 8.410 8.410 7.730 0.680 19579 12735 1 19 . 1 1 114 114 SER N N 114 113.798 113.798 114.198 -0.400 19579 12736 1 19 . 1 1 114 114 SER HA H 114 4.310 4.310 4.342 -0.032 19579 12737 1 19 . 1 1 114 114 SER C C 114 175.416 175.416 176.131 -0.715 19579 12738 1 19 . 1 1 114 114 SER CA C 114 61.981 61.981 60.973 1.008 19579 12739 1 19 . 1 1 114 114 SER CB C 114 63.618 63.618 63.899 -0.281 19579 12740 1 19 . 1 1 114 114 SER H H 114 7.973 7.973 7.528 0.445 19579 12741 1 19 . 1 1 115 115 VAL N N 115 115.306 115.306 120.909 -5.603 19579 12742 1 19 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.474 -0.267 19579 12743 1 19 . 1 1 115 115 VAL C C 115 177.325 177.325 177.170 0.155 19579 12744 1 19 . 1 1 115 115 VAL CA C 115 63.264 63.264 62.438 0.826 19579 12745 1 19 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.242 0.125 19579 12746 1 19 . 1 1 115 115 VAL H H 115 8.090 8.090 7.799 0.291 19579 12747 1 19 . 1 1 116 116 GLY N N 116 107.952 107.952 109.523 -1.571 19579 12748 1 19 . 1 1 116 116 GLY C C 116 175.129 175.129 175.075 0.054 19579 12749 1 19 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.626 0.204 19579 12750 1 19 . 1 1 116 116 GLY H H 116 7.991 7.991 8.012 -0.021 19579 12751 1 19 . 1 1 117 117 GLN N N 117 116.191 116.191 118.214 -2.023 19579 12752 1 19 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.050 0.003 19579 12753 1 19 . 1 1 117 117 GLN C C 117 176.056 176.056 176.402 -0.346 19579 12754 1 19 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.401 -0.345 19579 12755 1 19 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.631 0.861 19579 12756 1 19 . 1 1 117 117 GLN H H 117 7.721 7.721 8.215 -0.494 19579 12757 1 19 . 1 1 118 118 TYR N N 118 116.504 116.504 118.778 -2.274 19579 12758 1 19 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.401 -0.175 19579 12759 1 19 . 1 1 118 118 TYR C C 118 174.919 174.919 177.545 -2.626 19579 12760 1 19 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.546 -0.895 19579 12761 1 19 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.474 -0.483 19579 12762 1 19 . 1 1 118 118 TYR H H 118 7.685 7.685 8.040 -0.355 19579 12763 1 19 . 1 1 119 119 VAL N N 119 115.145 115.145 117.556 -2.411 19579 12764 1 19 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.003 0.191 19579 12765 1 19 . 1 1 119 119 VAL C C 119 174.666 174.666 176.962 -2.296 19579 12766 1 19 . 1 1 119 119 VAL CA C 119 61.962 61.962 64.090 -2.128 19579 12767 1 19 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.887 0.730 19579 12768 1 19 . 1 1 119 119 VAL H H 119 7.132 7.132 7.859 -0.727 19579 12769 1 20 . 1 1 -4 -4 SER CB C -4 63.876 63.876 64.329 -0.453 19579 12770 1 20 . 1 1 -2 -2 ASN N N -2 118.808 118.808 123.933 -5.125 19579 12771 1 20 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.182 1.002 19579 12772 1 20 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 52.672 0.726 19579 12773 1 20 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.273 0.034 19579 12774 1 20 . 1 1 2 2 THR N N 2 116.876 116.876 122.612 -5.736 19579 12775 1 20 . 1 1 2 2 THR HA H 2 4.348 4.348 4.450 -0.102 19579 12776 1 20 . 1 1 2 2 THR C C 2 174.600 174.600 173.488 1.112 19579 12777 1 20 . 1 1 2 2 THR CA C 2 61.785 61.785 63.183 -1.398 19579 12778 1 20 . 1 1 2 2 THR CB C 2 69.800 69.800 68.073 1.726 19579 12779 1 20 . 1 1 2 2 THR H H 2 8.176 8.176 8.428 -0.252 19579 12780 1 20 . 1 1 3 3 SER N N 3 117.968 117.968 120.896 -2.928 19579 12781 1 20 . 1 1 3 3 SER C C 3 174.732 174.732 173.588 1.144 19579 12782 1 20 . 1 1 3 3 SER CA C 3 58.585 58.585 58.228 0.357 19579 12783 1 20 . 1 1 3 3 SER H H 3 8.248 8.248 8.099 0.149 19579 12784 1 20 . 1 1 5 5 GLY N N 5 108.381 108.381 106.242 2.139 19579 12785 1 20 . 1 1 5 5 GLY C C 5 173.728 173.728 172.983 0.745 19579 12786 1 20 . 1 1 5 5 GLY CA C 5 45.215 45.215 44.860 0.355 19579 12787 1 20 . 1 1 5 5 GLY H H 5 8.134 8.134 8.297 -0.163 19579 12788 1 20 . 1 1 6 6 TYR N N 6 120.011 120.011 120.439 -0.428 19579 12789 1 20 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.809 -0.345 19579 12790 1 20 . 1 1 6 6 TYR C C 6 176.232 176.232 174.039 2.193 19579 12791 1 20 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.137 1.038 19579 12792 1 20 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.701 -0.937 19579 12793 1 20 . 1 1 6 6 TYR H H 6 8.096 8.096 8.161 -0.065 19579 12794 1 20 . 1 1 7 7 GLY N N 7 110.530 110.530 108.690 1.840 19579 12795 1 20 . 1 1 7 7 GLY C C 7 173.772 173.772 172.461 1.311 19579 12796 1 20 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.731 0.491 19579 12797 1 20 . 1 1 7 7 GLY H H 7 8.283 8.283 8.392 -0.109 19579 12798 1 20 . 1 1 8 8 TYR N N 8 120.132 120.132 117.918 2.214 19579 12799 1 20 . 1 1 8 8 TYR HA H 8 4.483 4.483 5.099 -0.616 19579 12800 1 20 . 1 1 8 8 TYR C C 8 176.420 176.420 174.351 2.069 19579 12801 1 20 . 1 1 8 8 TYR CA C 8 58.334 58.334 55.977 2.357 19579 12802 1 20 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.846 -1.101 19579 12803 1 20 . 1 1 8 8 TYR H H 8 7.987 7.987 7.960 0.027 19579 12804 1 20 . 1 1 9 9 GLY N N 9 110.831 110.831 110.643 0.188 19579 12805 1 20 . 1 1 9 9 GLY C C 9 174.335 174.335 173.215 1.120 19579 12806 1 20 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.876 0.573 19579 12807 1 20 . 1 1 9 9 GLY H H 9 8.400 8.400 8.778 -0.378 19579 12808 1 20 . 1 1 10 10 THR N N 10 113.216 113.216 114.665 -1.449 19579 12809 1 20 . 1 1 10 10 THR HA H 10 4.366 4.366 4.656 -0.290 19579 12810 1 20 . 1 1 10 10 THR C C 10 174.721 174.721 174.106 0.615 19579 12811 1 20 . 1 1 10 10 THR CA C 10 61.829 61.829 62.133 -0.304 19579 12812 1 20 . 1 1 10 10 THR CB C 10 69.881 69.881 68.954 0.927 19579 12813 1 20 . 1 1 10 10 THR H H 10 8.012 8.012 8.053 -0.041 19579 12814 1 20 . 1 1 11 11 SER N N 11 117.904 117.904 120.265 -2.361 19579 12815 1 20 . 1 1 11 11 SER HA H 11 4.414 4.414 4.525 -0.111 19579 12816 1 20 . 1 1 11 11 SER C C 11 174.335 174.335 173.727 0.608 19579 12817 1 20 . 1 1 11 11 SER CA C 11 58.363 58.363 58.309 0.053 19579 12818 1 20 . 1 1 11 11 SER CB C 11 63.911 63.911 64.186 -0.275 19579 12819 1 20 . 1 1 11 11 SER H H 11 8.342 8.342 8.204 0.138 19579 12820 1 20 . 1 1 12 12 ALA N N 12 126.003 126.003 127.123 -1.120 19579 12821 1 20 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.383 -0.145 19579 12822 1 20 . 1 1 12 12 ALA C C 12 177.468 177.468 177.510 -0.042 19579 12823 1 20 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.092 0.680 19579 12824 1 20 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.302 -0.214 19579 12825 1 20 . 1 1 12 12 ALA H H 12 8.274 8.274 8.166 0.108 19579 12826 1 20 . 1 1 13 13 ALA N N 13 122.954 122.954 125.691 -2.737 19579 12827 1 20 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.493 -0.268 19579 12828 1 20 . 1 1 13 13 ALA C C 13 178.207 178.207 176.055 2.152 19579 12829 1 20 . 1 1 13 13 ALA CA C 13 52.579 52.579 51.827 0.752 19579 12830 1 20 . 1 1 13 13 ALA CB C 13 19.291 19.291 20.110 -0.819 19579 12831 1 20 . 1 1 13 13 ALA H H 13 8.121 8.121 8.435 -0.314 19579 12832 1 20 . 1 1 14 14 ALA N N 14 123.733 123.733 121.787 1.946 19579 12833 1 20 . 1 1 14 14 ALA HA H 14 4.257 4.257 5.539 -1.282 19579 12834 1 20 . 1 1 14 14 ALA C C 14 178.227 178.227 176.794 1.433 19579 12835 1 20 . 1 1 14 14 ALA CA C 14 52.749 52.749 50.817 1.932 19579 12836 1 20 . 1 1 14 14 ALA CB C 14 19.276 19.276 21.215 -1.939 19579 12837 1 20 . 1 1 14 14 ALA H H 14 8.262 8.262 8.069 0.193 19579 12838 1 20 . 1 1 15 15 GLY N N 15 108.014 108.014 107.047 0.967 19579 12839 1 20 . 1 1 15 15 GLY C C 15 173.849 173.849 172.498 1.351 19579 12840 1 20 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.906 -0.595 19579 12841 1 20 . 1 1 15 15 GLY H H 15 8.239 8.239 8.281 -0.042 19579 12842 1 20 . 1 1 16 16 ALA N N 16 123.529 123.529 122.739 0.790 19579 12843 1 20 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.775 -0.477 19579 12844 1 20 . 1 1 16 16 ALA C C 16 178.108 178.108 177.261 0.847 19579 12845 1 20 . 1 1 16 16 ALA CA C 16 52.711 52.711 50.770 1.940 19579 12846 1 20 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.676 -2.360 19579 12847 1 20 . 1 1 16 16 ALA H H 16 8.102 8.102 7.932 0.170 19579 12848 1 20 . 1 1 17 17 GLY N N 17 108.099 108.099 109.511 -1.412 19579 12849 1 20 . 1 1 17 17 GLY C C 17 174.081 174.081 174.183 -0.102 19579 12850 1 20 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.526 -0.291 19579 12851 1 20 . 1 1 17 17 GLY H H 17 8.356 8.356 8.893 -0.537 19579 12852 1 20 . 1 1 18 18 VAL N N 18 119.220 119.220 122.153 -2.933 19579 12853 1 20 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.150 -0.083 19579 12854 1 20 . 1 1 18 18 VAL C C 18 175.946 175.946 176.424 -0.478 19579 12855 1 20 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.522 0.762 19579 12856 1 20 . 1 1 18 18 VAL CB C 18 32.764 32.764 33.089 -0.325 19579 12857 1 20 . 1 1 18 18 VAL H H 18 7.899 7.899 7.656 0.243 19579 12858 1 20 . 1 1 19 19 ALA N N 19 127.804 127.804 120.582 7.222 19579 12859 1 20 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.741 0.546 19579 12860 1 20 . 1 1 19 19 ALA C C 19 177.303 177.303 176.474 0.829 19579 12861 1 20 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.388 -0.928 19579 12862 1 20 . 1 1 19 19 ALA CB C 19 19.299 19.299 16.984 2.315 19579 12863 1 20 . 1 1 19 19 ALA H H 19 8.377 8.377 8.707 -0.330 19579 12864 1 20 . 1 1 20 20 ALA N N 20 123.602 123.602 121.237 2.365 19579 12865 1 20 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.578 -0.299 19579 12866 1 20 . 1 1 20 20 ALA C C 20 178.086 178.086 177.460 0.626 19579 12867 1 20 . 1 1 20 20 ALA CA C 20 52.752 52.752 52.612 0.140 19579 12868 1 20 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.215 -0.900 19579 12869 1 20 . 1 1 20 20 ALA H H 20 8.261 8.261 8.378 -0.117 19579 12870 1 20 . 1 1 21 21 GLY N N 21 108.033 108.033 103.759 4.274 19579 12871 1 20 . 1 1 21 21 GLY C C 21 174.213 174.213 173.728 0.485 19579 12872 1 20 . 1 1 21 21 GLY CA C 21 45.291 45.291 45.298 -0.007 19579 12873 1 20 . 1 1 21 21 GLY H H 21 8.323 8.323 8.090 0.233 19579 12874 1 20 . 1 1 22 22 SER N N 22 115.596 115.596 115.196 0.400 19579 12875 1 20 . 1 1 22 22 SER HA H 22 4.369 4.369 4.437 -0.068 19579 12876 1 20 . 1 1 22 22 SER C C 22 175.328 175.328 172.597 2.731 19579 12877 1 20 . 1 1 22 22 SER CA C 22 58.686 58.686 57.559 1.127 19579 12878 1 20 . 1 1 22 22 SER CB C 22 63.915 63.915 64.120 -0.205 19579 12879 1 20 . 1 1 22 22 SER H H 22 8.118 8.118 8.082 0.036 19579 12880 1 20 . 1 1 23 23 TYR N N 23 121.490 121.490 120.184 1.306 19579 12881 1 20 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.488 -0.719 19579 12882 1 20 . 1 1 23 23 TYR C C 23 175.890 175.890 175.512 0.378 19579 12883 1 20 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.123 1.601 19579 12884 1 20 . 1 1 23 23 TYR CB C 23 37.863 37.863 37.747 0.116 19579 12885 1 20 . 1 1 23 23 TYR H H 23 8.620 8.620 7.338 1.282 19579 12886 1 20 . 1 1 24 24 ALA N N 24 121.940 121.940 127.908 -5.968 19579 12887 1 20 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.675 -0.794 19579 12888 1 20 . 1 1 24 24 ALA C C 24 179.366 179.366 177.634 1.732 19579 12889 1 20 . 1 1 24 24 ALA CA C 24 55.393 55.393 51.963 3.430 19579 12890 1 20 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.763 -2.223 19579 12891 1 20 . 1 1 24 24 ALA H H 24 8.127 8.127 9.001 -0.874 19579 12892 1 20 . 1 1 25 25 GLY N N 25 106.527 106.527 109.234 -2.707 19579 12893 1 20 . 1 1 25 25 GLY C C 25 175.074 175.074 175.317 -0.243 19579 12894 1 20 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.103 0.094 19579 12895 1 20 . 1 1 25 25 GLY H H 25 8.647 8.647 8.590 0.057 19579 12896 1 20 . 1 1 26 26 ALA N N 26 122.752 122.752 124.648 -1.896 19579 12897 1 20 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.304 -0.277 19579 12898 1 20 . 1 1 26 26 ALA C C 26 177.490 177.490 179.175 -1.685 19579 12899 1 20 . 1 1 26 26 ALA CA C 26 54.536 54.536 55.057 -0.521 19579 12900 1 20 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.405 0.571 19579 12901 1 20 . 1 1 26 26 ALA H H 26 7.552 7.552 8.242 -0.690 19579 12902 1 20 . 1 1 27 27 VAL N N 27 113.110 113.110 114.912 -1.802 19579 12903 1 20 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.673 -0.212 19579 12904 1 20 . 1 1 27 27 VAL C C 27 179.366 179.366 178.080 1.286 19579 12905 1 20 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.040 0.523 19579 12906 1 20 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.531 0.564 19579 12907 1 20 . 1 1 27 27 VAL H H 27 7.283 7.283 7.773 -0.490 19579 12908 1 20 . 1 1 28 28 ASN N N 28 119.671 119.671 120.036 -0.365 19579 12909 1 20 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.424 -0.069 19579 12910 1 20 . 1 1 28 28 ASN C C 28 177.667 177.667 177.719 -0.052 19579 12911 1 20 . 1 1 28 28 ASN CA C 28 56.091 56.091 56.016 0.076 19579 12912 1 20 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.905 0.415 19579 12913 1 20 . 1 1 28 28 ASN H H 28 8.374 8.374 8.549 -0.175 19579 12914 1 20 . 1 1 29 29 ARG N N 29 116.957 116.957 120.068 -3.111 19579 12915 1 20 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.135 -0.017 19579 12916 1 20 . 1 1 29 29 ARG C C 29 177.457 177.457 178.508 -1.051 19579 12917 1 20 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.784 0.911 19579 12918 1 20 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.748 0.388 19579 12919 1 20 . 1 1 29 29 ARG H H 29 7.860 7.860 7.777 0.083 19579 12920 1 20 . 1 1 30 30 LEU N N 30 121.060 121.060 120.469 0.591 19579 12921 1 20 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.076 -0.122 19579 12922 1 20 . 1 1 30 30 LEU C C 30 174.975 174.975 177.657 -2.682 19579 12923 1 20 . 1 1 30 30 LEU CA C 30 57.222 57.222 57.174 0.048 19579 12924 1 20 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.941 -0.983 19579 12925 1 20 . 1 1 30 30 LEU H H 30 7.524 7.524 7.660 -0.136 19579 12926 1 20 . 1 1 31 31 SER N N 31 106.764 106.764 110.997 -4.233 19579 12927 1 20 . 1 1 31 31 SER HA H 31 4.523 4.523 4.469 0.054 19579 12928 1 20 . 1 1 31 31 SER C C 31 174.666 174.666 174.393 0.273 19579 12929 1 20 . 1 1 31 31 SER CA C 31 57.680 57.680 58.252 -0.572 19579 12930 1 20 . 1 1 31 31 SER CB C 31 63.290 63.290 63.020 0.270 19579 12931 1 20 . 1 1 31 31 SER H H 31 7.046 7.046 7.670 -0.624 19579 12932 1 20 . 1 1 32 32 SER N N 32 117.235 117.235 116.547 0.688 19579 12933 1 20 . 1 1 32 32 SER HA H 32 4.383 4.383 4.565 -0.182 19579 12934 1 20 . 1 1 32 32 SER C C 32 174.677 174.677 175.290 -0.613 19579 12935 1 20 . 1 1 32 32 SER CA C 32 58.027 58.027 57.304 0.723 19579 12936 1 20 . 1 1 32 32 SER CB C 32 66.069 66.069 64.686 1.383 19579 12937 1 20 . 1 1 32 32 SER H H 32 7.721 7.721 7.265 0.456 19579 12938 1 20 . 1 1 33 33 ALA N N 33 126.048 126.048 125.066 0.982 19579 12939 1 20 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.112 -0.014 19579 12940 1 20 . 1 1 33 33 ALA C C 33 180.822 180.822 179.494 1.328 19579 12941 1 20 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.579 0.162 19579 12942 1 20 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.763 -0.734 19579 12943 1 20 . 1 1 33 33 ALA H H 33 8.980 8.980 8.761 0.219 19579 12944 1 20 . 1 1 34 34 GLU N N 34 117.978 117.978 119.784 -1.806 19579 12945 1 20 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.876 0.059 19579 12946 1 20 . 1 1 34 34 GLU C C 34 178.560 178.560 178.608 -0.048 19579 12947 1 20 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.142 1.232 19579 12948 1 20 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.325 -0.511 19579 12949 1 20 . 1 1 34 34 GLU H H 34 8.993 8.993 7.710 1.283 19579 12950 1 20 . 1 1 35 35 ALA N N 35 123.748 123.748 121.883 1.865 19579 12951 1 20 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.277 -0.226 19579 12952 1 20 . 1 1 35 35 ALA C C 35 179.101 179.101 179.579 -0.478 19579 12953 1 20 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.970 0.449 19579 12954 1 20 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.307 0.977 19579 12955 1 20 . 1 1 35 35 ALA H H 35 7.443 7.443 8.213 -0.770 19579 12956 1 20 . 1 1 36 36 ALA N N 36 118.503 118.503 119.846 -1.343 19579 12957 1 20 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.953 -0.198 19579 12958 1 20 . 1 1 36 36 ALA C C 36 180.745 180.745 179.860 0.885 19579 12959 1 20 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.018 0.523 19579 12960 1 20 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.118 -1.092 19579 12961 1 20 . 1 1 36 36 ALA H H 36 7.484 7.484 7.815 -0.331 19579 12962 1 20 . 1 1 37 37 SER N N 37 114.688 114.688 113.445 1.243 19579 12963 1 20 . 1 1 37 37 SER HA H 37 4.170 4.170 4.244 -0.074 19579 12964 1 20 . 1 1 37 37 SER C C 37 177.214 177.214 176.806 0.408 19579 12965 1 20 . 1 1 37 37 SER CA C 37 61.628 61.628 61.145 0.483 19579 12966 1 20 . 1 1 37 37 SER CB C 37 62.653 62.653 63.156 -0.503 19579 12967 1 20 . 1 1 37 37 SER H H 37 8.178 8.178 7.803 0.375 19579 12968 1 20 . 1 1 38 38 ARG N N 38 123.817 123.817 121.739 2.078 19579 12969 1 20 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.043 -0.039 19579 12970 1 20 . 1 1 38 38 ARG C C 38 179.564 179.564 178.978 0.586 19579 12971 1 20 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.467 1.190 19579 12972 1 20 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.455 1.358 19579 12973 1 20 . 1 1 38 38 ARG H H 38 7.882 7.882 8.392 -0.510 19579 12974 1 20 . 1 1 39 39 VAL N N 39 120.446 120.446 119.538 0.908 19579 12975 1 20 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.675 -0.346 19579 12976 1 20 . 1 1 39 39 VAL C C 39 178.505 178.505 177.379 1.126 19579 12977 1 20 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.820 1.374 19579 12978 1 20 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.716 -0.146 19579 12979 1 20 . 1 1 39 39 VAL H H 39 8.543 8.543 8.470 0.073 19579 12980 1 20 . 1 1 40 40 SER N N 40 114.009 114.009 114.530 -0.521 19579 12981 1 20 . 1 1 40 40 SER HA H 40 4.080 4.080 3.976 0.104 19579 12982 1 20 . 1 1 40 40 SER C C 40 176.340 176.340 176.356 -0.016 19579 12983 1 20 . 1 1 40 40 SER CA C 40 62.940 62.940 61.547 1.393 19579 12984 1 20 . 1 1 40 40 SER CB C 40 62.953 62.953 62.740 0.213 19579 12985 1 20 . 1 1 40 40 SER H H 40 8.602 8.602 7.842 0.760 19579 12986 1 20 . 1 1 41 41 SER N N 41 114.648 114.648 114.100 0.548 19579 12987 1 20 . 1 1 41 41 SER HA H 41 4.333 4.333 4.391 -0.058 19579 12988 1 20 . 1 1 41 41 SER C C 41 174.390 174.390 175.730 -1.340 19579 12989 1 20 . 1 1 41 41 SER CA C 41 60.828 60.828 59.935 0.893 19579 12990 1 20 . 1 1 41 41 SER CB C 41 63.563 63.563 63.384 0.179 19579 12991 1 20 . 1 1 41 41 SER H H 41 8.003 8.003 7.839 0.164 19579 12992 1 20 . 1 1 42 42 ASN N N 42 117.849 117.849 119.411 -1.562 19579 12993 1 20 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.699 0.265 19579 12994 1 20 . 1 1 42 42 ASN C C 42 174.677 174.677 177.004 -2.327 19579 12995 1 20 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.976 0.387 19579 12996 1 20 . 1 1 42 42 ASN CB C 42 42.266 42.266 39.988 2.278 19579 12997 1 20 . 1 1 42 42 ASN H H 42 7.600 7.600 7.689 -0.089 19579 12998 1 20 . 1 1 43 43 ILE N N 43 116.952 116.952 117.521 -0.569 19579 12999 1 20 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.821 -0.150 19579 13000 1 20 . 1 1 43 43 ILE C C 43 176.773 176.773 176.840 -0.067 19579 13001 1 20 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.257 -0.030 19579 13002 1 20 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.249 0.161 19579 13003 1 20 . 1 1 43 43 ILE H H 43 7.336 7.336 8.765 -1.429 19579 13004 1 20 . 1 1 44 44 ALA N N 44 122.396 122.396 121.932 0.464 19579 13005 1 20 . 1 1 44 44 ALA HA H 44 4.036 4.036 4.086 -0.050 19579 13006 1 20 . 1 1 44 44 ALA C C 44 180.304 180.304 178.327 1.977 19579 13007 1 20 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.353 1.035 19579 13008 1 20 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.103 -0.615 19579 13009 1 20 . 1 1 44 44 ALA H H 44 8.617 8.617 8.304 0.313 19579 13010 1 20 . 1 1 45 45 ALA N N 45 120.804 120.804 120.833 -0.029 19579 13011 1 20 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.274 -0.221 19579 13012 1 20 . 1 1 45 45 ALA C C 45 180.591 180.591 179.737 0.854 19579 13013 1 20 . 1 1 45 45 ALA CA C 45 54.752 54.752 53.693 1.059 19579 13014 1 20 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.620 -1.003 19579 13015 1 20 . 1 1 45 45 ALA H H 45 7.913 7.913 7.666 0.247 19579 13016 1 20 . 1 1 46 46 ILE N N 46 117.637 117.637 120.185 -2.548 19579 13017 1 20 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.836 -0.208 19579 13018 1 20 . 1 1 46 46 ILE C C 46 177.612 177.612 178.294 -0.682 19579 13019 1 20 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.688 -1.409 19579 13020 1 20 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.800 -0.140 19579 13021 1 20 . 1 1 46 46 ILE H H 46 7.313 7.313 7.732 -0.419 19579 13022 1 20 . 1 1 47 47 ALA N N 47 121.493 121.493 122.360 -0.867 19579 13023 1 20 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.202 -0.258 19579 13024 1 20 . 1 1 47 47 ALA C C 47 178.538 178.538 178.410 0.128 19579 13025 1 20 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.532 0.855 19579 13026 1 20 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.356 0.623 19579 13027 1 20 . 1 1 47 47 ALA H H 47 8.413 8.413 8.552 -0.139 19579 13028 1 20 . 1 1 48 48 SER N N 48 109.024 109.024 112.009 -2.985 19579 13029 1 20 . 1 1 48 48 SER HA H 48 4.352 4.352 4.608 -0.256 19579 13030 1 20 . 1 1 48 48 SER C C 48 176.056 176.056 174.847 1.209 19579 13031 1 20 . 1 1 48 48 SER CA C 48 59.977 59.977 58.301 1.676 19579 13032 1 20 . 1 1 48 48 SER CB C 48 63.838 63.838 63.984 -0.146 19579 13033 1 20 . 1 1 48 48 SER H H 48 8.030 8.030 7.692 0.338 19579 13034 1 20 . 1 1 49 49 GLY N N 49 108.121 108.121 107.105 1.016 19579 13035 1 20 . 1 1 49 49 GLY C C 49 174.820 174.820 174.382 0.438 19579 13036 1 20 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.611 -0.418 19579 13037 1 20 . 1 1 49 49 GLY H H 49 8.048 8.048 7.617 0.431 19579 13038 1 20 . 1 1 50 50 GLY N N 50 111.955 111.955 111.081 0.874 19579 13039 1 20 . 1 1 50 50 GLY C C 50 174.975 174.975 174.862 0.113 19579 13040 1 20 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.211 -0.029 19579 13041 1 20 . 1 1 50 50 GLY H H 50 8.409 8.409 7.816 0.593 19579 13042 1 20 . 1 1 51 51 ALA N N 51 126.247 126.247 125.062 1.185 19579 13043 1 20 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.442 -0.623 19579 13044 1 20 . 1 1 51 51 ALA C C 51 179.697 179.697 179.669 0.028 19579 13045 1 20 . 1 1 51 51 ALA CA C 51 55.060 55.060 54.150 0.910 19579 13046 1 20 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.213 -0.934 19579 13047 1 20 . 1 1 51 51 ALA H H 51 9.119 9.119 7.842 1.277 19579 13048 1 20 . 1 1 52 52 SER N N 52 111.975 111.975 115.193 -3.218 19579 13049 1 20 . 1 1 52 52 SER HA H 52 4.222 4.222 4.157 0.065 19579 13050 1 20 . 1 1 52 52 SER C C 52 174.983 174.983 175.264 -0.281 19579 13051 1 20 . 1 1 52 52 SER CA C 52 60.814 60.814 60.721 0.093 19579 13052 1 20 . 1 1 52 52 SER CB C 52 62.977 62.977 62.963 0.014 19579 13053 1 20 . 1 1 52 52 SER H H 52 8.231 8.231 8.781 -0.550 19579 13054 1 20 . 1 1 53 53 ALA N N 53 122.484 122.484 123.594 -1.110 19579 13055 1 20 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.345 0.057 19579 13056 1 20 . 1 1 53 53 ALA C C 53 177.391 177.391 179.581 -2.190 19579 13057 1 20 . 1 1 53 53 ALA CA C 53 52.127 52.127 53.253 -1.126 19579 13058 1 20 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.452 1.494 19579 13059 1 20 . 1 1 53 53 ALA H H 53 7.602 7.602 8.155 -0.553 19579 13060 1 20 . 1 1 54 54 LEU N N 54 117.414 117.414 120.611 -3.197 19579 13061 1 20 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.074 -0.195 19579 13062 1 20 . 1 1 54 54 LEU C C 54 174.434 174.434 175.781 -1.347 19579 13063 1 20 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.094 0.221 19579 13064 1 20 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.499 0.121 19579 13065 1 20 . 1 1 54 54 LEU H H 54 7.408 7.408 7.550 -0.142 19579 13066 1 20 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.292 -0.101 19579 13067 1 20 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.352 1.582 19579 13068 1 20 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.046 0.004 19579 13069 1 20 . 1 1 56 56 SER N N 56 113.559 113.559 111.970 1.589 19579 13070 1 20 . 1 1 56 56 SER HA H 56 4.234 4.234 4.488 -0.254 19579 13071 1 20 . 1 1 56 56 SER C C 56 176.552 176.552 174.788 1.764 19579 13072 1 20 . 1 1 56 56 SER CA C 56 61.233 61.233 59.227 2.006 19579 13073 1 20 . 1 1 56 56 SER CB C 56 62.733 62.733 63.610 -0.877 19579 13074 1 20 . 1 1 56 56 SER H H 56 7.834 7.834 7.599 0.235 19579 13075 1 20 . 1 1 57 57 VAL N N 57 123.292 123.292 118.839 4.453 19579 13076 1 20 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.200 -0.457 19579 13077 1 20 . 1 1 57 57 VAL C C 57 178.042 178.042 176.042 2.000 19579 13078 1 20 . 1 1 57 57 VAL CA C 57 66.460 66.460 63.337 3.123 19579 13079 1 20 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.834 -2.067 19579 13080 1 20 . 1 1 57 57 VAL H H 57 8.263 8.263 7.626 0.637 19579 13081 1 20 . 1 1 58 58 ILE N N 58 118.510 118.510 121.424 -2.914 19579 13082 1 20 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.658 0.026 19579 13083 1 20 . 1 1 58 58 ILE C C 58 176.221 176.221 177.693 -1.472 19579 13084 1 20 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.587 -1.505 19579 13085 1 20 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.883 -0.534 19579 13086 1 20 . 1 1 58 58 ILE H H 58 8.873 8.873 8.699 0.174 19579 13087 1 20 . 1 1 59 59 SER N N 59 114.238 114.238 113.766 0.472 19579 13088 1 20 . 1 1 59 59 SER HA H 59 4.305 4.305 4.528 -0.223 19579 13089 1 20 . 1 1 59 59 SER C C 59 177.534 177.534 176.119 1.415 19579 13090 1 20 . 1 1 59 59 SER CA C 59 61.586 61.586 60.703 0.883 19579 13091 1 20 . 1 1 59 59 SER CB C 59 62.951 62.951 63.066 -0.115 19579 13092 1 20 . 1 1 59 59 SER H H 59 7.388 7.388 8.626 -1.238 19579 13093 1 20 . 1 1 60 60 ASN N N 60 120.810 120.810 120.571 0.239 19579 13094 1 20 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.670 -0.310 19579 13095 1 20 . 1 1 60 60 ASN C C 60 178.616 178.616 177.820 0.796 19579 13096 1 20 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.834 0.881 19579 13097 1 20 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.470 0.526 19579 13098 1 20 . 1 1 60 60 ASN H H 60 8.147 8.147 7.834 0.313 19579 13099 1 20 . 1 1 61 61 ILE N N 61 121.116 121.116 121.546 -0.430 19579 13100 1 20 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.665 -0.144 19579 13101 1 20 . 1 1 61 61 ILE C C 61 176.972 176.972 177.674 -0.702 19579 13102 1 20 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.640 0.922 19579 13103 1 20 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.129 0.877 19579 13104 1 20 . 1 1 61 61 ILE H H 61 8.642 8.642 7.954 0.688 19579 13105 1 20 . 1 1 62 62 TYR N N 62 119.953 119.953 120.500 -0.547 19579 13106 1 20 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.997 -0.374 19579 13107 1 20 . 1 1 62 62 TYR C C 62 176.828 176.828 177.406 -0.578 19579 13108 1 20 . 1 1 62 62 TYR CA C 62 63.083 63.083 62.103 0.980 19579 13109 1 20 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.333 0.642 19579 13110 1 20 . 1 1 62 62 TYR H H 62 9.192 9.192 8.313 0.879 19579 13111 1 20 . 1 1 63 63 SER N N 63 111.464 111.464 115.267 -3.803 19579 13112 1 20 . 1 1 63 63 SER HA H 63 4.035 4.035 4.120 -0.085 19579 13113 1 20 . 1 1 63 63 SER C C 63 177.325 177.325 176.973 0.352 19579 13114 1 20 . 1 1 63 63 SER CA C 63 62.027 62.027 62.679 -0.652 19579 13115 1 20 . 1 1 63 63 SER CB C 63 62.565 62.565 62.804 -0.239 19579 13116 1 20 . 1 1 63 63 SER H H 63 8.320 8.320 7.950 0.370 19579 13117 1 20 . 1 1 64 64 GLY N N 64 110.383 110.383 109.548 0.835 19579 13118 1 20 . 1 1 64 64 GLY C C 64 175.581 175.581 175.598 -0.017 19579 13119 1 20 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.639 0.675 19579 13120 1 20 . 1 1 64 64 GLY H H 64 7.724 7.724 7.594 0.130 19579 13121 1 20 . 1 1 65 65 VAL N N 65 124.665 124.665 122.359 2.306 19579 13122 1 20 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.594 -0.350 19579 13123 1 20 . 1 1 65 65 VAL C C 65 180.072 180.072 177.684 2.388 19579 13124 1 20 . 1 1 65 65 VAL CA C 65 67.004 67.004 66.426 0.578 19579 13125 1 20 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.671 0.037 19579 13126 1 20 . 1 1 65 65 VAL H H 65 8.584 8.584 7.661 0.923 19579 13127 1 20 . 1 1 66 66 VAL N N 66 120.803 120.803 117.495 3.308 19579 13128 1 20 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.537 0.186 19579 13129 1 20 . 1 1 66 66 VAL C C 66 179.829 179.829 177.350 2.479 19579 13130 1 20 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.320 0.894 19579 13131 1 20 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.373 0.382 19579 13132 1 20 . 1 1 66 66 VAL H H 66 8.305 8.305 7.625 0.680 19579 13133 1 20 . 1 1 67 67 ALA N N 67 123.266 123.266 120.464 2.802 19579 13134 1 20 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.187 -0.023 19579 13135 1 20 . 1 1 67 67 ALA C C 67 178.560 178.560 178.274 0.286 19579 13136 1 20 . 1 1 67 67 ALA CA C 67 54.424 54.424 53.904 0.520 19579 13137 1 20 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.378 -0.367 19579 13138 1 20 . 1 1 67 67 ALA H H 67 7.979 7.979 7.644 0.335 19579 13139 1 20 . 1 1 68 68 SER N N 68 112.669 112.669 113.470 -0.801 19579 13140 1 20 . 1 1 68 68 SER HA H 68 4.436 4.436 4.345 0.091 19579 13141 1 20 . 1 1 68 68 SER C C 68 174.555 174.555 174.933 -0.378 19579 13142 1 20 . 1 1 68 68 SER CA C 68 59.634 59.634 58.691 0.943 19579 13143 1 20 . 1 1 68 68 SER CB C 68 63.943 63.943 63.972 -0.029 19579 13144 1 20 . 1 1 68 68 SER H H 68 7.674 7.674 7.465 0.209 19579 13145 1 20 . 1 1 69 69 GLY N N 69 109.146 109.146 109.180 -0.034 19579 13146 1 20 . 1 1 69 69 GLY C C 69 173.904 173.904 173.806 0.098 19579 13147 1 20 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.773 0.458 19579 13148 1 20 . 1 1 69 69 GLY H H 69 7.939 7.939 7.495 0.444 19579 13149 1 20 . 1 1 70 70 VAL N N 70 119.926 119.926 119.511 0.415 19579 13150 1 20 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.316 -0.406 19579 13151 1 20 . 1 1 70 70 VAL C C 70 174.997 174.997 175.386 -0.389 19579 13152 1 20 . 1 1 70 70 VAL CA C 70 62.284 62.284 60.679 1.605 19579 13153 1 20 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.687 -1.263 19579 13154 1 20 . 1 1 70 70 VAL H H 70 6.723 6.723 7.479 -0.756 19579 13155 1 20 . 1 1 71 71 SER N N 71 120.581 120.581 120.547 0.034 19579 13156 1 20 . 1 1 71 71 SER HA H 71 4.386 4.386 4.402 -0.016 19579 13157 1 20 . 1 1 71 71 SER C C 71 175.559 175.559 175.116 0.443 19579 13158 1 20 . 1 1 71 71 SER CA C 71 58.441 58.441 58.544 -0.103 19579 13159 1 20 . 1 1 71 71 SER CB C 71 64.632 64.632 63.963 0.669 19579 13160 1 20 . 1 1 71 71 SER H H 71 8.577 8.577 8.430 0.147 19579 13161 1 20 . 1 1 72 72 SER N N 72 117.898 117.898 118.345 -0.447 19579 13162 1 20 . 1 1 72 72 SER HA H 72 4.083 4.083 3.996 0.087 19579 13163 1 20 . 1 1 72 72 SER C C 72 176.255 176.255 176.501 -0.246 19579 13164 1 20 . 1 1 72 72 SER CA C 72 61.586 61.586 61.932 -0.346 19579 13165 1 20 . 1 1 72 72 SER CB C 72 62.622 62.622 63.154 -0.532 19579 13166 1 20 . 1 1 72 72 SER H H 72 8.889 8.889 8.548 0.341 19579 13167 1 20 . 1 1 73 73 ASN N N 73 118.976 118.976 118.377 0.599 19579 13168 1 20 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.408 0.249 19579 13169 1 20 . 1 1 73 73 ASN C C 73 176.506 176.506 177.008 -0.502 19579 13170 1 20 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.177 0.884 19579 13171 1 20 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.193 -0.193 19579 13172 1 20 . 1 1 73 73 ASN H H 73 8.519 8.519 8.641 -0.122 19579 13173 1 20 . 1 1 74 74 GLU N N 74 118.543 118.543 118.038 0.505 19579 13174 1 20 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.100 0.010 19579 13175 1 20 . 1 1 74 74 GLU C C 74 176.994 176.994 177.685 -0.691 19579 13176 1 20 . 1 1 74 74 GLU CA C 74 58.026 58.026 57.989 0.037 19579 13177 1 20 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.322 2.041 19579 13178 1 20 . 1 1 74 74 GLU H H 74 7.768 7.768 8.259 -0.491 19579 13179 1 20 . 1 1 75 75 ALA N N 75 121.901 121.901 124.020 -2.119 19579 13180 1 20 . 1 1 75 75 ALA HA H 75 3.690 3.690 4.022 -0.332 19579 13181 1 20 . 1 1 75 75 ALA C C 75 178.318 178.318 179.353 -1.035 19579 13182 1 20 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.183 0.045 19579 13183 1 20 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.084 0.557 19579 13184 1 20 . 1 1 75 75 ALA H H 75 8.069 8.069 8.189 -0.120 19579 13185 1 20 . 1 1 76 76 LEU N N 76 117.360 117.360 119.697 -2.337 19579 13186 1 20 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.167 -0.057 19579 13187 1 20 . 1 1 76 76 LEU C C 76 177.854 177.854 178.523 -0.669 19579 13188 1 20 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.789 0.225 19579 13189 1 20 . 1 1 76 76 LEU CB C 76 40.768 40.768 41.975 -1.207 19579 13190 1 20 . 1 1 76 76 LEU H H 76 8.121 8.121 7.397 0.724 19579 13191 1 20 . 1 1 77 77 ILE N N 77 116.714 116.714 118.709 -1.995 19579 13192 1 20 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.601 -0.149 19579 13193 1 20 . 1 1 77 77 ILE C C 77 176.883 176.883 178.216 -1.333 19579 13194 1 20 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.627 -0.369 19579 13195 1 20 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.783 -0.041 19579 13196 1 20 . 1 1 77 77 ILE H H 77 7.607 7.607 7.259 0.348 19579 13197 1 20 . 1 1 78 78 GLN N N 78 119.338 119.338 119.588 -0.250 19579 13198 1 20 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.872 -0.240 19579 13199 1 20 . 1 1 78 78 GLN C C 78 177.521 177.521 178.026 -0.505 19579 13200 1 20 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.084 1.236 19579 13201 1 20 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.136 0.039 19579 13202 1 20 . 1 1 78 78 GLN H H 78 8.119 8.119 8.608 -0.489 19579 13203 1 20 . 1 1 79 79 ALA N N 79 119.218 119.218 122.418 -3.200 19579 13204 1 20 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.030 -0.159 19579 13205 1 20 . 1 1 79 79 ALA C C 79 179.311 179.311 179.862 -0.551 19579 13206 1 20 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.158 -0.333 19579 13207 1 20 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.212 -0.393 19579 13208 1 20 . 1 1 79 79 ALA H H 79 8.639 8.639 7.647 0.992 19579 13209 1 20 . 1 1 80 80 LEU N N 80 116.262 116.262 118.798 -2.536 19579 13210 1 20 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.062 -0.163 19579 13211 1 20 . 1 1 80 80 LEU C C 80 178.914 178.914 179.338 -0.424 19579 13212 1 20 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.400 0.612 19579 13213 1 20 . 1 1 80 80 LEU CB C 80 41.615 41.615 40.677 0.938 19579 13214 1 20 . 1 1 80 80 LEU H H 80 8.450 8.450 7.807 0.643 19579 13215 1 20 . 1 1 81 81 LEU N N 81 118.995 118.995 119.606 -0.611 19579 13216 1 20 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.859 0.113 19579 13217 1 20 . 1 1 81 81 LEU C C 81 180.127 180.127 179.275 0.852 19579 13218 1 20 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.667 -0.684 19579 13219 1 20 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.066 1.476 19579 13220 1 20 . 1 1 81 81 LEU H H 81 8.151 8.151 8.392 -0.241 19579 13221 1 20 . 1 1 82 82 GLU N N 82 124.890 124.890 119.680 5.210 19579 13222 1 20 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.048 -0.415 19579 13223 1 20 . 1 1 82 82 GLU C C 82 178.505 178.505 179.502 -0.997 19579 13224 1 20 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.284 2.016 19579 13225 1 20 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.562 0.216 19579 13226 1 20 . 1 1 82 82 GLU H H 82 8.659 8.659 8.013 0.646 19579 13227 1 20 . 1 1 83 83 LEU N N 83 121.487 121.487 121.292 0.195 19579 13228 1 20 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.140 -0.320 19579 13229 1 20 . 1 1 83 83 LEU C C 83 178.163 178.163 178.910 -0.747 19579 13230 1 20 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.838 0.317 19579 13231 1 20 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.442 0.192 19579 13232 1 20 . 1 1 83 83 LEU H H 83 8.658 8.658 8.010 0.648 19579 13233 1 20 . 1 1 84 84 LEU N N 84 118.904 118.904 117.528 1.376 19579 13234 1 20 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.144 -0.358 19579 13235 1 20 . 1 1 84 84 LEU C C 84 178.064 178.064 178.854 -0.790 19579 13236 1 20 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.819 1.844 19579 13237 1 20 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.482 1.723 19579 13238 1 20 . 1 1 84 84 LEU H H 84 8.803 8.803 8.681 0.121 19579 13239 1 20 . 1 1 85 85 SER N N 85 114.347 114.347 114.531 -0.184 19579 13240 1 20 . 1 1 85 85 SER HA H 85 4.211 4.211 4.512 -0.301 19579 13241 1 20 . 1 1 85 85 SER C C 85 174.633 174.633 175.415 -0.782 19579 13242 1 20 . 1 1 85 85 SER CA C 85 62.957 62.957 60.848 2.109 19579 13243 1 20 . 1 1 85 85 SER CB C 85 62.947 62.947 63.574 -0.627 19579 13244 1 20 . 1 1 85 85 SER H H 85 7.879 7.879 7.705 0.174 19579 13245 1 20 . 1 1 86 86 ALA N N 86 124.206 124.206 125.670 -1.464 19579 13246 1 20 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.099 -0.329 19579 13247 1 20 . 1 1 86 86 ALA C C 86 178.538 178.538 178.991 -0.453 19579 13248 1 20 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.315 0.051 19579 13249 1 20 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.422 -1.078 19579 13250 1 20 . 1 1 86 86 ALA H H 86 8.199 8.199 7.585 0.614 19579 13251 1 20 . 1 1 87 87 LEU N N 87 116.463 116.463 115.798 0.665 19579 13252 1 20 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.284 -0.463 19579 13253 1 20 . 1 1 87 87 LEU C C 87 178.709 178.709 178.545 0.164 19579 13254 1 20 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.949 0.405 19579 13255 1 20 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.519 2.075 19579 13256 1 20 . 1 1 87 87 LEU H H 87 8.140 8.140 7.673 0.467 19579 13257 1 20 . 1 1 88 88 VAL N N 88 118.854 118.854 119.527 -0.673 19579 13258 1 20 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.708 -0.305 19579 13259 1 20 . 1 1 88 88 VAL C C 88 177.766 177.766 177.069 0.697 19579 13260 1 20 . 1 1 88 88 VAL CA C 88 66.665 66.665 65.238 1.427 19579 13261 1 20 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.410 0.038 19579 13262 1 20 . 1 1 88 88 VAL H H 88 8.716 8.716 7.899 0.817 19579 13263 1 20 . 1 1 89 89 HIS N N 89 121.227 121.227 119.962 1.265 19579 13264 1 20 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.316 -0.277 19579 13265 1 20 . 1 1 89 89 HIS C C 89 178.880 178.880 177.523 1.357 19579 13266 1 20 . 1 1 89 89 HIS CA C 89 61.322 61.322 60.134 1.188 19579 13267 1 20 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.278 1.470 19579 13268 1 20 . 1 1 89 89 HIS H H 89 8.664 8.664 7.685 0.979 19579 13269 1 20 . 1 1 90 90 VAL N N 90 118.094 118.094 116.818 1.276 19579 13270 1 20 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.861 -0.294 19579 13271 1 20 . 1 1 90 90 VAL C C 90 177.733 177.733 177.598 0.135 19579 13272 1 20 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.200 1.630 19579 13273 1 20 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.772 -0.172 19579 13274 1 20 . 1 1 90 90 VAL H H 90 7.994 7.994 7.569 0.425 19579 13275 1 20 . 1 1 91 91 LEU N N 91 119.672 119.672 120.591 -0.919 19579 13276 1 20 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.014 -0.182 19579 13277 1 20 . 1 1 91 91 LEU C C 91 178.869 178.869 178.922 -0.053 19579 13278 1 20 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.773 -0.015 19579 13279 1 20 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.322 1.617 19579 13280 1 20 . 1 1 91 91 LEU H H 91 8.393 8.393 8.188 0.205 19579 13281 1 20 . 1 1 92 92 SER N N 92 113.554 113.554 113.070 0.484 19579 13282 1 20 . 1 1 92 92 SER HA H 92 4.297 4.297 4.180 0.117 19579 13283 1 20 . 1 1 92 92 SER C C 92 174.500 174.500 175.905 -1.405 19579 13284 1 20 . 1 1 92 92 SER CA C 92 61.410 61.410 61.054 0.355 19579 13285 1 20 . 1 1 92 92 SER CB C 92 63.254 63.254 62.984 0.270 19579 13286 1 20 . 1 1 92 92 SER H H 92 7.900 7.900 7.771 0.129 19579 13287 1 20 . 1 1 93 93 SER N N 93 115.055 115.055 115.191 -0.136 19579 13288 1 20 . 1 1 93 93 SER HA H 93 4.704 4.704 4.565 0.139 19579 13289 1 20 . 1 1 93 93 SER C C 93 173.044 173.044 175.438 -2.394 19579 13290 1 20 . 1 1 93 93 SER CA C 93 57.967 57.967 58.873 -0.906 19579 13291 1 20 . 1 1 93 93 SER CB C 93 64.574 64.574 63.623 0.951 19579 13292 1 20 . 1 1 93 93 SER H H 93 7.420 7.420 7.583 -0.163 19579 13293 1 20 . 1 1 94 94 ALA N N 94 124.504 124.504 124.746 -0.242 19579 13294 1 20 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.316 0.313 19579 13295 1 20 . 1 1 94 94 ALA C C 94 176.199 176.199 177.423 -1.224 19579 13296 1 20 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.661 -2.192 19579 13297 1 20 . 1 1 94 94 ALA CB C 94 21.620 21.620 18.825 2.795 19579 13298 1 20 . 1 1 94 94 ALA H H 94 7.476 7.476 7.496 -0.020 19579 13299 1 20 . 1 1 95 95 SER N N 95 115.739 115.739 111.647 4.092 19579 13300 1 20 . 1 1 95 95 SER HA H 95 4.758 4.758 4.204 0.554 19579 13301 1 20 . 1 1 95 95 SER C C 95 174.136 174.136 173.590 0.546 19579 13302 1 20 . 1 1 95 95 SER CA C 95 57.343 57.343 58.916 -1.573 19579 13303 1 20 . 1 1 95 95 SER CB C 95 63.303 63.303 60.788 2.515 19579 13304 1 20 . 1 1 95 95 SER H H 95 8.483 8.483 7.690 0.793 19579 13305 1 20 . 1 1 96 96 ILE N N 96 128.288 128.288 119.768 8.520 19579 13306 1 20 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.000 -0.007 19579 13307 1 20 . 1 1 96 96 ILE C C 96 175.868 175.868 175.475 0.393 19579 13308 1 20 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.558 -1.196 19579 13309 1 20 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.238 -0.625 19579 13310 1 20 . 1 1 96 96 ILE H H 96 8.869 8.869 7.735 1.134 19579 13311 1 20 . 1 1 97 97 GLY N N 97 115.495 115.495 112.888 2.607 19579 13312 1 20 . 1 1 97 97 GLY C C 97 173.022 173.022 173.418 -0.396 19579 13313 1 20 . 1 1 97 97 GLY CA C 97 44.870 44.870 43.476 1.394 19579 13314 1 20 . 1 1 97 97 GLY H H 97 8.272 8.272 8.209 0.063 19579 13315 1 20 . 1 1 98 98 ASN N N 98 120.819 120.819 119.437 1.382 19579 13316 1 20 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.738 -0.090 19579 13317 1 20 . 1 1 98 98 ASN C C 98 174.809 174.809 175.385 -0.576 19579 13318 1 20 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.431 0.995 19579 13319 1 20 . 1 1 98 98 ASN CB C 98 38.665 38.665 38.657 0.008 19579 13320 1 20 . 1 1 98 98 ASN H H 98 8.420 8.420 8.508 -0.088 19579 13321 1 20 . 1 1 99 99 VAL N N 99 122.960 122.960 127.179 -4.219 19579 13322 1 20 . 1 1 99 99 VAL HA H 99 4.174 4.174 3.862 0.312 19579 13323 1 20 . 1 1 99 99 VAL C C 99 174.500 174.500 176.429 -1.929 19579 13324 1 20 . 1 1 99 99 VAL CA C 99 61.368 61.368 64.412 -3.044 19579 13325 1 20 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.287 1.119 19579 13326 1 20 . 1 1 99 99 VAL H H 99 8.292 8.292 7.824 0.468 19579 13327 1 20 . 1 1 100 100 SER N N 100 120.723 120.723 122.835 -2.112 19579 13328 1 20 . 1 1 100 100 SER HA H 100 4.756 4.756 4.579 0.177 19579 13329 1 20 . 1 1 100 100 SER C C 100 174.235 174.235 175.255 -1.020 19579 13330 1 20 . 1 1 100 100 SER CA C 100 56.687 56.687 57.779 -1.091 19579 13331 1 20 . 1 1 100 100 SER CB C 100 64.904 64.904 63.471 1.433 19579 13332 1 20 . 1 1 100 100 SER H H 100 8.644 8.644 8.632 0.012 19579 13333 1 20 . 1 1 101 101 SER N N 101 117.236 117.236 122.638 -5.402 19579 13334 1 20 . 1 1 101 101 SER HA H 101 4.130 4.130 4.478 -0.348 19579 13335 1 20 . 1 1 101 101 SER CA C 101 59.000 59.000 58.508 0.492 19579 13336 1 20 . 1 1 101 101 SER CB C 101 63.104 63.104 62.710 0.394 19579 13337 1 20 . 1 1 102 102 VAL N N 102 124.874 124.874 121.205 3.669 19579 13338 1 20 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.265 -0.444 19579 13339 1 20 . 1 1 102 102 VAL C C 102 177.545 177.545 175.075 2.470 19579 13340 1 20 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.756 2.826 19579 13341 1 20 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.806 -1.326 19579 13342 1 20 . 1 1 102 102 VAL H H 102 8.090 8.090 7.771 0.319 19579 13343 1 20 . 1 1 103 103 GLY N N 103 114.589 114.589 114.961 -0.372 19579 13344 1 20 . 1 1 103 103 GLY C C 103 176.387 176.387 175.418 0.969 19579 13345 1 20 . 1 1 103 103 GLY CA C 103 45.686 45.686 44.984 0.702 19579 13346 1 20 . 1 1 103 103 GLY H H 103 9.051 9.051 8.615 0.436 19579 13347 1 20 . 1 1 104 104 VAL N N 104 121.976 121.976 121.098 0.878 19579 13348 1 20 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.576 -0.228 19579 13349 1 20 . 1 1 104 104 VAL C C 104 176.045 176.045 176.740 -0.695 19579 13350 1 20 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.085 1.804 19579 13351 1 20 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.749 -0.484 19579 13352 1 20 . 1 1 104 104 VAL H H 104 7.753 7.753 7.997 -0.244 19579 13353 1 20 . 1 1 105 105 ASP N N 105 117.868 117.868 120.172 -2.304 19579 13354 1 20 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.314 -0.163 19579 13355 1 20 . 1 1 105 105 ASP C C 105 178.406 178.406 177.377 1.029 19579 13356 1 20 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.046 -0.336 19579 13357 1 20 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.729 -2.077 19579 13358 1 20 . 1 1 105 105 ASP H H 105 8.719 8.719 8.694 0.025 19579 13359 1 20 . 1 1 106 106 SER N N 106 117.500 117.500 111.358 6.142 19579 13360 1 20 . 1 1 106 106 SER HA H 106 4.306 4.306 4.580 -0.274 19579 13361 1 20 . 1 1 106 106 SER C C 106 176.784 176.784 175.371 1.413 19579 13362 1 20 . 1 1 106 106 SER CA C 106 61.523 61.523 59.492 2.031 19579 13363 1 20 . 1 1 106 106 SER CB C 106 62.480 62.480 63.436 -0.956 19579 13364 1 20 . 1 1 106 106 SER H H 106 7.685 7.685 7.776 -0.091 19579 13365 1 20 . 1 1 107 107 THR N N 107 121.741 121.741 117.496 4.245 19579 13366 1 20 . 1 1 107 107 THR HA H 107 4.373 4.373 4.460 -0.087 19579 13367 1 20 . 1 1 107 107 THR C C 107 176.227 176.227 175.615 0.612 19579 13368 1 20 . 1 1 107 107 THR CA C 107 66.648 66.648 64.280 2.368 19579 13369 1 20 . 1 1 107 107 THR CB C 107 66.884 66.884 69.939 -3.055 19579 13370 1 20 . 1 1 107 107 THR H H 107 8.024 8.024 7.870 0.154 19579 13371 1 20 . 1 1 108 108 LEU N N 108 122.175 122.175 122.123 0.052 19579 13372 1 20 . 1 1 108 108 LEU HA H 108 3.916 3.916 4.002 -0.086 19579 13373 1 20 . 1 1 108 108 LEU C C 108 178.560 178.560 178.226 0.334 19579 13374 1 20 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.609 1.560 19579 13375 1 20 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.427 -0.398 19579 13376 1 20 . 1 1 108 108 LEU H H 108 8.475 8.475 8.197 0.278 19579 13377 1 20 . 1 1 109 109 ASN N N 109 116.499 116.499 117.252 -0.753 19579 13378 1 20 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.466 0.020 19579 13379 1 20 . 1 1 109 109 ASN C C 109 177.181 177.181 177.175 0.006 19579 13380 1 20 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.982 0.517 19579 13381 1 20 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.462 0.523 19579 13382 1 20 . 1 1 109 109 ASN H H 109 7.567 7.567 8.009 -0.442 19579 13383 1 20 . 1 1 110 110 VAL N N 110 121.382 121.382 120.649 0.733 19579 13384 1 20 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.849 0.029 19579 13385 1 20 . 1 1 110 110 VAL C C 110 180.116 180.116 177.247 2.869 19579 13386 1 20 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.133 1.103 19579 13387 1 20 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.550 0.010 19579 13388 1 20 . 1 1 110 110 VAL H H 110 7.978 7.978 7.507 0.471 19579 13389 1 20 . 1 1 111 111 VAL N N 111 123.748 123.748 120.395 3.353 19579 13390 1 20 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.623 -0.265 19579 13391 1 20 . 1 1 111 111 VAL C C 111 177.424 177.424 176.747 0.677 19579 13392 1 20 . 1 1 111 111 VAL CA C 111 68.182 68.182 66.160 2.022 19579 13393 1 20 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.472 -0.366 19579 13394 1 20 . 1 1 111 111 VAL H H 111 8.228 8.228 7.486 0.742 19579 13395 1 20 . 1 1 112 112 GLN N N 112 120.331 120.331 118.247 2.084 19579 13396 1 20 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.958 -0.360 19579 13397 1 20 . 1 1 112 112 GLN C C 112 178.329 178.329 178.206 0.123 19579 13398 1 20 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.440 0.869 19579 13399 1 20 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.028 2.113 19579 13400 1 20 . 1 1 112 112 GLN H H 112 8.719 8.719 7.872 0.847 19579 13401 1 20 . 1 1 113 113 ASP N N 113 117.931 117.931 118.238 -0.307 19579 13402 1 20 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.448 -0.098 19579 13403 1 20 . 1 1 113 113 ASP C C 113 178.406 178.406 177.919 0.487 19579 13404 1 20 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.678 0.351 19579 13405 1 20 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.653 0.641 19579 13406 1 20 . 1 1 113 113 ASP H H 113 8.410 8.410 7.876 0.534 19579 13407 1 20 . 1 1 114 114 SER N N 114 113.798 113.798 115.399 -1.601 19579 13408 1 20 . 1 1 114 114 SER HA H 114 4.310 4.310 4.348 -0.038 19579 13409 1 20 . 1 1 114 114 SER C C 114 175.416 175.416 176.258 -0.842 19579 13410 1 20 . 1 1 114 114 SER CA C 114 61.981 61.981 61.220 0.761 19579 13411 1 20 . 1 1 114 114 SER CB C 114 63.618 63.618 63.684 -0.066 19579 13412 1 20 . 1 1 114 114 SER H H 114 7.973 7.973 7.628 0.345 19579 13413 1 20 . 1 1 115 115 VAL N N 115 115.306 115.306 120.173 -4.867 19579 13414 1 20 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.346 -0.139 19579 13415 1 20 . 1 1 115 115 VAL C C 115 177.325 177.325 177.102 0.223 19579 13416 1 20 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.824 1.440 19579 13417 1 20 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.321 0.046 19579 13418 1 20 . 1 1 115 115 VAL H H 115 8.090 8.090 7.753 0.337 19579 13419 1 20 . 1 1 116 116 GLY N N 116 107.952 107.952 109.152 -1.200 19579 13420 1 20 . 1 1 116 116 GLY C C 116 175.129 175.129 174.803 0.326 19579 13421 1 20 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.520 0.310 19579 13422 1 20 . 1 1 116 116 GLY H H 116 7.991 7.991 8.030 -0.039 19579 13423 1 20 . 1 1 117 117 GLN N N 117 116.191 116.191 118.220 -2.029 19579 13424 1 20 . 1 1 117 117 GLN HA H 117 4.053 4.053 3.992 0.061 19579 13425 1 20 . 1 1 117 117 GLN C C 117 176.056 176.056 176.110 -0.054 19579 13426 1 20 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.135 -0.079 19579 13427 1 20 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.657 0.835 19579 13428 1 20 . 1 1 117 117 GLN H H 117 7.721 7.721 7.945 -0.224 19579 13429 1 20 . 1 1 118 118 TYR N N 118 116.504 116.504 118.505 -2.001 19579 13430 1 20 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.410 -0.184 19579 13431 1 20 . 1 1 118 118 TYR C C 118 174.919 174.919 177.234 -2.315 19579 13432 1 20 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.224 -0.572 19579 13433 1 20 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.408 -0.417 19579 13434 1 20 . 1 1 118 118 TYR H H 118 7.685 7.685 7.981 -0.296 19579 13435 1 20 . 1 1 119 119 VAL N N 119 115.145 115.145 118.267 -3.122 19579 13436 1 20 . 1 1 119 119 VAL HA H 119 4.194 4.194 4.059 0.135 19579 13437 1 20 . 1 1 119 119 VAL C C 119 174.666 174.666 177.259 -2.593 19579 13438 1 20 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.703 -1.741 19579 13439 1 20 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.828 0.790 19579 13440 1 20 . 1 1 119 119 VAL H H 119 7.132 7.132 7.725 -0.593 19579 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 117 2.490 0.350 2.476 19579 2 1 1 "Average Difference" HA 130 0.305 0.111 0.285 19579 3 1 1 "Average Difference" C 116 1.093 -0.077 1.095 19579 4 1 1 "Average Difference" CA 118 1.141 -0.466 1.046 19579 5 1 1 "Average Difference" CB 103 1.020 -0.053 1.024 19579 6 1 1 "Average Difference" HN 116 0.502 -0.122 0.489 19579 7 1 2 "Average Difference" N 117 2.359 0.352 2.343 19579 8 1 2 "Average Difference" HA 130 0.302 0.130 0.274 19579 9 1 2 "Average Difference" C 116 1.126 -0.179 1.116 19579 10 1 2 "Average Difference" CA 118 1.130 -0.502 1.017 19579 11 1 2 "Average Difference" CB 103 1.070 0.020 1.075 19579 12 1 2 "Average Difference" HN 116 0.500 -0.107 0.490 19579 13 1 3 "Average Difference" N 117 2.439 0.134 2.445 19579 14 1 3 "Average Difference" HA 130 0.303 0.124 0.278 19579 15 1 3 "Average Difference" C 116 1.064 -0.078 1.066 19579 16 1 3 "Average Difference" CA 118 1.136 -0.497 1.025 19579 17 1 3 "Average Difference" CB 103 1.001 -0.079 1.002 19579 18 1 3 "Average Difference" HN 116 0.536 -0.145 0.519 19579 19 1 4 "Average Difference" N 117 2.469 0.254 2.466 19579 20 1 4 "Average Difference" HA 130 0.298 0.114 0.277 19579 21 1 4 "Average Difference" C 116 1.126 -0.082 1.128 19579 22 1 4 "Average Difference" CA 118 1.127 -0.544 0.992 19579 23 1 4 "Average Difference" CB 103 1.031 -0.088 1.032 19579 24 1 4 "Average Difference" HN 116 0.561 -0.126 0.549 19579 25 1 5 "Average Difference" N 117 2.576 0.439 2.549 19579 26 1 5 "Average Difference" HA 130 0.290 0.107 0.271 19579 27 1 5 "Average Difference" C 116 1.065 0.001 1.069 19579 28 1 5 "Average Difference" CA 118 1.085 -0.482 0.976 19579 29 1 5 "Average Difference" CB 103 1.019 -0.148 1.013 19579 30 1 5 "Average Difference" HN 116 0.525 -0.153 0.504 19579 31 1 6 "Average Difference" N 117 2.389 0.154 2.395 19579 32 1 6 "Average Difference" HA 130 0.299 0.121 0.274 19579 33 1 6 "Average Difference" C 116 1.030 -0.043 1.033 19579 34 1 6 "Average Difference" CA 118 1.145 -0.509 1.030 19579 35 1 6 "Average Difference" CB 103 1.016 -0.050 1.019 19579 36 1 6 "Average Difference" HN 116 0.518 -0.130 0.504 19579 37 1 7 "Average Difference" N 117 2.632 0.464 2.602 19579 38 1 7 "Average Difference" HA 130 0.286 0.101 0.269 19579 39 1 7 "Average Difference" C 116 1.130 -0.055 1.133 19579 40 1 7 "Average Difference" CA 118 1.171 -0.501 1.063 19579 41 1 7 "Average Difference" CB 103 1.038 -0.161 1.030 19579 42 1 7 "Average Difference" HN 116 0.538 -0.172 0.513 19579 43 1 8 "Average Difference" N 117 2.445 0.108 2.453 19579 44 1 8 "Average Difference" HA 130 0.295 0.135 0.263 19579 45 1 8 "Average Difference" C 116 1.206 -0.230 1.189 19579 46 1 8 "Average Difference" CA 118 1.141 -0.524 1.018 19579 47 1 8 "Average Difference" CB 103 1.064 -0.003 1.070 19579 48 1 8 "Average Difference" HN 116 0.501 -0.147 0.481 19579 49 1 9 "Average Difference" N 117 2.372 0.227 2.371 19579 50 1 9 "Average Difference" HA 130 0.273 0.105 0.253 19579 51 1 9 "Average Difference" C 116 1.151 -0.128 1.148 19579 52 1 9 "Average Difference" CA 118 1.231 -0.519 1.121 19579 53 1 9 "Average Difference" CB 103 1.045 -0.109 1.045 19579 54 1 9 "Average Difference" HN 116 0.517 -0.166 0.492 19579 55 1 10 "Average Difference" N 117 2.378 0.205 2.379 19579 56 1 10 "Average Difference" HA 130 0.300 0.118 0.277 19579 57 1 10 "Average Difference" C 116 1.089 -0.089 1.090 19579 58 1 10 "Average Difference" CA 118 1.142 -0.541 1.010 19579 59 1 10 "Average Difference" CB 103 1.029 -0.120 1.027 19579 60 1 10 "Average Difference" HN 116 0.534 -0.123 0.522 19579 61 1 11 "Average Difference" N 117 2.409 0.162 2.414 19579 62 1 11 "Average Difference" HA 130 0.271 0.097 0.254 19579 63 1 11 "Average Difference" C 116 1.064 -0.046 1.067 19579 64 1 11 "Average Difference" CA 118 1.094 -0.435 1.008 19579 65 1 11 "Average Difference" CB 103 0.955 -0.119 0.953 19579 66 1 11 "Average Difference" HN 116 0.527 -0.132 0.512 19579 67 1 12 "Average Difference" N 117 2.560 0.305 2.552 19579 68 1 12 "Average Difference" HA 130 0.288 0.118 0.264 19579 69 1 12 "Average Difference" C 116 1.125 -0.111 1.124 19579 70 1 12 "Average Difference" CA 118 1.181 -0.580 1.033 19579 71 1 12 "Average Difference" CB 103 1.035 -0.078 1.037 19579 72 1 12 "Average Difference" HN 116 0.523 -0.152 0.502 19579 73 1 13 "Average Difference" N 117 2.408 0.196 2.410 19579 74 1 13 "Average Difference" HA 130 0.292 0.113 0.271 19579 75 1 13 "Average Difference" C 116 1.121 -0.078 1.123 19579 76 1 13 "Average Difference" CA 118 1.149 -0.522 1.029 19579 77 1 13 "Average Difference" CB 103 1.013 -0.036 1.018 19579 78 1 13 "Average Difference" HN 116 0.529 -0.159 0.506 19579 79 1 14 "Average Difference" N 117 2.427 0.009 2.438 19579 80 1 14 "Average Difference" HA 130 0.313 0.114 0.292 19579 81 1 14 "Average Difference" C 116 1.139 -0.100 1.139 19579 82 1 14 "Average Difference" CA 118 1.122 -0.468 1.024 19579 83 1 14 "Average Difference" CB 103 1.084 -0.032 1.089 19579 84 1 14 "Average Difference" HN 116 0.530 -0.100 0.522 19579 85 1 15 "Average Difference" N 117 2.379 0.378 2.359 19579 86 1 15 "Average Difference" HA 130 0.282 0.100 0.264 19579 87 1 15 "Average Difference" C 116 1.091 -0.015 1.096 19579 88 1 15 "Average Difference" CA 118 1.163 -0.537 1.036 19579 89 1 15 "Average Difference" CB 103 1.034 -0.100 1.034 19579 90 1 15 "Average Difference" HN 116 0.516 -0.142 0.499 19579 91 1 16 "Average Difference" N 117 2.703 0.289 2.699 19579 92 1 16 "Average Difference" HA 130 0.312 0.115 0.291 19579 93 1 16 "Average Difference" C 116 1.168 -0.169 1.160 19579 94 1 16 "Average Difference" CA 118 1.255 -0.592 1.112 19579 95 1 16 "Average Difference" CB 103 1.024 -0.011 1.029 19579 96 1 16 "Average Difference" HN 116 0.544 -0.140 0.528 19579 97 1 17 "Average Difference" N 117 2.376 0.049 2.385 19579 98 1 17 "Average Difference" HA 130 0.306 0.121 0.282 19579 99 1 17 "Average Difference" C 116 1.098 -0.036 1.102 19579 100 1 17 "Average Difference" CA 118 1.145 -0.539 1.014 19579 101 1 17 "Average Difference" CB 103 1.013 -0.017 1.018 19579 102 1 17 "Average Difference" HN 116 0.516 -0.132 0.501 19579 103 1 18 "Average Difference" N 117 2.495 0.270 2.491 19579 104 1 18 "Average Difference" HA 130 0.308 0.148 0.271 19579 105 1 18 "Average Difference" C 116 1.182 -0.159 1.176 19579 106 1 18 "Average Difference" CA 118 1.121 -0.560 0.976 19579 107 1 18 "Average Difference" CB 103 1.041 0.014 1.046 19579 108 1 18 "Average Difference" HN 116 0.527 -0.113 0.517 19579 109 1 19 "Average Difference" N 117 2.479 0.102 2.487 19579 110 1 19 "Average Difference" HA 130 0.292 0.116 0.269 19579 111 1 19 "Average Difference" C 116 1.145 -0.130 1.142 19579 112 1 19 "Average Difference" CA 118 1.179 -0.535 1.055 19579 113 1 19 "Average Difference" CB 103 0.991 -0.125 0.988 19579 114 1 19 "Average Difference" HN 116 0.575 -0.169 0.552 19579 115 1 20 "Average Difference" N 117 2.545 0.155 2.551 19579 116 1 20 "Average Difference" HA 130 0.296 0.120 0.272 19579 117 1 20 "Average Difference" C 116 1.178 -0.158 1.172 19579 118 1 20 "Average Difference" CA 118 1.187 -0.527 1.068 19579 119 1 20 "Average Difference" CB 103 1.086 -0.078 1.089 19579 120 1 20 "Average Difference" HN 116 0.514 -0.127 0.500 19579 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 19579 _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 -4 -4 SER CB C -4 63.876 63.876 63.786 0.090 19579 2 1 . 1 1 -2 -2 ASN N N -2 118.808 118.808 120.348 -1.540 19579 3 1 . 1 1 -2 -2 ASN C C -2 175.184 175.184 174.706 0.478 19579 4 1 . 1 1 -2 -2 ASN CA C -2 53.399 53.399 53.086 0.313 19579 5 1 . 1 1 -2 -2 ASN H H -2 8.307 8.307 8.433 -0.126 19579 6 1 . 1 1 2 2 THR N N 2 116.876 116.876 120.429 -3.553 19579 7 1 . 1 1 2 2 THR HA H 2 4.348 4.348 4.567 -0.219 19579 8 1 . 1 1 2 2 THR C C 2 174.600 174.600 174.050 0.550 19579 9 1 . 1 1 2 2 THR CA C 2 61.785 61.785 62.233 -0.448 19579 10 1 . 1 1 2 2 THR CB C 2 69.800 69.800 69.559 0.241 19579 11 1 . 1 1 2 2 THR H H 2 8.176 8.176 8.340 -0.164 19579 12 1 . 1 1 3 3 SER N N 3 117.968 117.968 120.130 -2.162 19579 13 1 . 1 1 3 3 SER C C 3 174.732 174.732 174.144 0.588 19579 14 1 . 1 1 3 3 SER CA C 3 58.585 58.585 58.264 0.321 19579 15 1 . 1 1 3 3 SER H H 3 8.248 8.248 8.448 -0.200 19579 16 1 . 1 1 5 5 GLY N N 5 108.381 108.381 108.570 -0.189 19579 17 1 . 1 1 5 5 GLY C C 5 173.728 173.728 173.231 0.497 19579 18 1 . 1 1 5 5 GLY CA C 5 45.215 45.215 45.021 0.194 19579 19 1 . 1 1 5 5 GLY H H 5 8.134 8.134 8.224 -0.090 19579 20 1 . 1 1 6 6 TYR N N 6 120.011 120.011 120.365 -0.354 19579 21 1 . 1 1 6 6 TYR HA H 6 4.464 4.464 4.779 -0.315 19579 22 1 . 1 1 6 6 TYR C C 6 176.232 176.232 175.405 0.827 19579 23 1 . 1 1 6 6 TYR CA C 6 58.175 58.175 57.239 0.936 19579 24 1 . 1 1 6 6 TYR CB C 6 38.764 38.764 39.442 -0.678 19579 25 1 . 1 1 6 6 TYR H H 6 8.096 8.096 8.045 0.051 19579 26 1 . 1 1 7 7 GLY N N 7 110.530 110.530 110.534 -0.004 19579 27 1 . 1 1 7 7 GLY C C 7 173.772 173.772 172.930 0.842 19579 28 1 . 1 1 7 7 GLY CA C 7 45.222 45.222 44.981 0.241 19579 29 1 . 1 1 7 7 GLY H H 7 8.283 8.283 8.398 -0.115 19579 30 1 . 1 1 8 8 TYR N N 8 120.132 120.132 119.922 0.210 19579 31 1 . 1 1 8 8 TYR HA H 8 4.483 4.483 4.804 -0.321 19579 32 1 . 1 1 8 8 TYR C C 8 176.420 176.420 175.774 0.646 19579 33 1 . 1 1 8 8 TYR CA C 8 58.334 58.334 57.104 1.230 19579 34 1 . 1 1 8 8 TYR CB C 8 38.745 38.745 39.305 -0.560 19579 35 1 . 1 1 8 8 TYR H H 8 7.987 7.987 8.205 -0.218 19579 36 1 . 1 1 9 9 GLY N N 9 110.831 110.831 111.421 -0.590 19579 37 1 . 1 1 9 9 GLY C C 9 174.335 174.335 173.988 0.347 19579 38 1 . 1 1 9 9 GLY CA C 9 45.449 45.449 44.999 0.449 19579 39 1 . 1 1 9 9 GLY H H 9 8.400 8.400 8.634 -0.234 19579 40 1 . 1 1 10 10 THR N N 10 113.216 113.216 114.943 -1.727 19579 41 1 . 1 1 10 10 THR HA H 10 4.366 4.366 4.533 -0.167 19579 42 1 . 1 1 10 10 THR C C 10 174.721 174.721 174.583 0.138 19579 43 1 . 1 1 10 10 THR CA C 10 61.829 61.829 61.977 -0.148 19579 44 1 . 1 1 10 10 THR CB C 10 69.881 69.881 69.364 0.517 19579 45 1 . 1 1 10 10 THR H H 10 8.012 8.012 8.022 -0.010 19579 46 1 . 1 1 11 11 SER N N 11 117.904 117.904 120.806 -2.902 19579 47 1 . 1 1 11 11 SER HA H 11 4.414 4.414 4.600 -0.186 19579 48 1 . 1 1 11 11 SER C C 11 174.335 174.335 173.741 0.594 19579 49 1 . 1 1 11 11 SER CA C 11 58.363 58.363 58.095 0.268 19579 50 1 . 1 1 11 11 SER CB C 11 63.911 63.911 63.764 0.147 19579 51 1 . 1 1 11 11 SER H H 11 8.342 8.342 8.474 -0.132 19579 52 1 . 1 1 12 12 ALA N N 12 126.003 126.003 125.696 0.307 19579 53 1 . 1 1 12 12 ALA HA H 12 4.238 4.238 4.545 -0.307 19579 54 1 . 1 1 12 12 ALA C C 12 177.468 177.468 176.438 1.030 19579 55 1 . 1 1 12 12 ALA CA C 12 52.772 52.772 52.051 0.721 19579 56 1 . 1 1 12 12 ALA CB C 12 19.088 19.088 19.626 -0.538 19579 57 1 . 1 1 12 12 ALA H H 12 8.274 8.274 8.274 0.000 19579 58 1 . 1 1 13 13 ALA N N 13 122.954 122.954 124.531 -1.577 19579 59 1 . 1 1 13 13 ALA HA H 13 4.225 4.225 4.608 -0.383 19579 60 1 . 1 1 13 13 ALA C C 13 178.207 178.207 176.695 1.512 19579 61 1 . 1 1 13 13 ALA CA C 13 52.579 52.579 52.176 0.403 19579 62 1 . 1 1 13 13 ALA CB C 13 19.291 19.291 19.954 -0.663 19579 63 1 . 1 1 13 13 ALA H H 13 8.121 8.121 8.326 -0.205 19579 64 1 . 1 1 14 14 ALA N N 14 123.733 123.733 123.482 0.251 19579 65 1 . 1 1 14 14 ALA HA H 14 4.257 4.257 4.572 -0.315 19579 66 1 . 1 1 14 14 ALA C C 14 178.227 178.227 176.906 1.321 19579 67 1 . 1 1 14 14 ALA CA C 14 52.749 52.749 52.225 0.524 19579 68 1 . 1 1 14 14 ALA CB C 14 19.276 19.276 19.845 -0.569 19579 69 1 . 1 1 14 14 ALA H H 14 8.262 8.262 8.373 -0.111 19579 70 1 . 1 1 15 15 GLY N N 15 108.014 108.014 108.258 -0.244 19579 71 1 . 1 1 15 15 GLY C C 15 173.849 173.849 173.012 0.837 19579 72 1 . 1 1 15 15 GLY CA C 15 45.311 45.311 45.248 0.063 19579 73 1 . 1 1 15 15 GLY H H 15 8.239 8.239 8.281 -0.042 19579 74 1 . 1 1 16 16 ALA N N 16 123.529 123.529 123.579 -0.050 19579 75 1 . 1 1 16 16 ALA HA H 16 4.298 4.298 4.720 -0.422 19579 76 1 . 1 1 16 16 ALA C C 16 178.108 178.108 176.248 1.860 19579 77 1 . 1 1 16 16 ALA CA C 16 52.711 52.711 51.554 1.157 19579 78 1 . 1 1 16 16 ALA CB C 16 19.316 19.316 21.046 -1.730 19579 79 1 . 1 1 16 16 ALA H H 16 8.102 8.102 7.996 0.106 19579 80 1 . 1 1 17 17 GLY N N 17 108.099 108.099 108.302 -0.203 19579 81 1 . 1 1 17 17 GLY C C 17 174.081 174.081 173.921 0.160 19579 82 1 . 1 1 17 17 GLY CA C 17 45.235 45.235 45.412 -0.177 19579 83 1 . 1 1 17 17 GLY H H 17 8.356 8.356 8.583 -0.227 19579 84 1 . 1 1 18 18 VAL N N 18 119.220 119.220 121.575 -2.355 19579 85 1 . 1 1 18 18 VAL HA H 18 4.067 4.067 4.224 -0.157 19579 86 1 . 1 1 18 18 VAL C C 18 175.946 175.946 175.746 0.200 19579 87 1 . 1 1 18 18 VAL CA C 18 62.283 62.283 61.271 1.012 19579 88 1 . 1 1 18 18 VAL CB C 18 32.764 32.764 32.692 0.072 19579 89 1 . 1 1 18 18 VAL H H 18 7.899 7.899 7.811 0.088 19579 90 1 . 1 1 19 19 ALA N N 19 127.804 127.804 122.061 5.743 19579 91 1 . 1 1 19 19 ALA HA H 19 4.287 4.287 3.622 0.665 19579 92 1 . 1 1 19 19 ALA C C 19 177.303 177.303 175.982 1.321 19579 93 1 . 1 1 19 19 ALA CA C 19 52.460 52.460 53.279 -0.819 19579 94 1 . 1 1 19 19 ALA CB C 19 19.299 19.299 17.252 2.047 19579 95 1 . 1 1 19 19 ALA H H 19 8.377 8.377 8.180 0.197 19579 96 1 . 1 1 20 20 ALA N N 20 123.602 123.602 120.651 2.951 19579 97 1 . 1 1 20 20 ALA HA H 20 4.279 4.279 4.533 -0.254 19579 98 1 . 1 1 20 20 ALA C C 20 178.086 178.086 177.663 0.423 19579 99 1 . 1 1 20 20 ALA CA C 20 52.752 52.752 51.495 1.257 19579 100 1 . 1 1 20 20 ALA CB C 20 19.315 19.315 20.069 -0.754 19579 101 1 . 1 1 20 20 ALA H H 20 8.261 8.261 7.872 0.389 19579 102 1 . 1 1 21 21 GLY N N 21 108.033 108.033 111.768 -3.735 19579 103 1 . 1 1 21 21 GLY C C 21 174.213 174.213 174.657 -0.444 19579 104 1 . 1 1 21 21 GLY CA C 21 45.291 45.291 46.181 -0.889 19579 105 1 . 1 1 21 21 GLY H H 21 8.323 8.323 8.733 -0.410 19579 106 1 . 1 1 22 22 SER N N 22 115.596 115.596 118.542 -2.946 19579 107 1 . 1 1 22 22 SER HA H 22 4.369 4.369 4.611 -0.242 19579 108 1 . 1 1 22 22 SER C C 22 175.328 175.328 172.969 2.359 19579 109 1 . 1 1 22 22 SER CA C 22 58.686 58.686 57.649 1.037 19579 110 1 . 1 1 22 22 SER CB C 22 63.915 63.915 63.663 0.252 19579 111 1 . 1 1 22 22 SER H H 22 8.118 8.118 8.208 -0.090 19579 112 1 . 1 1 23 23 TYR N N 23 121.490 121.490 119.907 1.583 19579 113 1 . 1 1 23 23 TYR HA H 23 4.769 4.769 5.003 -0.234 19579 114 1 . 1 1 23 23 TYR C C 23 175.890 175.890 174.837 1.053 19579 115 1 . 1 1 23 23 TYR CA C 23 57.724 57.724 56.385 1.339 19579 116 1 . 1 1 23 23 TYR CB C 23 37.863 37.863 38.844 -0.981 19579 117 1 . 1 1 23 23 TYR H H 23 8.620 8.620 7.352 1.268 19579 118 1 . 1 1 24 24 ALA N N 24 121.940 121.940 126.118 -4.178 19579 119 1 . 1 1 24 24 ALA HA H 24 3.881 3.881 4.653 -0.772 19579 120 1 . 1 1 24 24 ALA C C 24 179.366 179.366 177.796 1.570 19579 121 1 . 1 1 24 24 ALA CA C 24 55.393 55.393 52.012 3.381 19579 122 1 . 1 1 24 24 ALA CB C 24 18.540 18.540 20.218 -1.678 19579 123 1 . 1 1 24 24 ALA H H 24 8.127 8.127 8.803 -0.676 19579 124 1 . 1 1 25 25 GLY N N 25 106.527 106.527 108.710 -2.183 19579 125 1 . 1 1 25 25 GLY C C 25 175.074 175.074 175.264 -0.190 19579 126 1 . 1 1 25 25 GLY CA C 25 47.197 47.197 47.029 0.168 19579 127 1 . 1 1 25 25 GLY H H 25 8.647 8.647 8.372 0.275 19579 128 1 . 1 1 26 26 ALA N N 26 122.752 122.752 124.109 -1.357 19579 129 1 . 1 1 26 26 ALA HA H 26 4.027 4.027 4.211 -0.184 19579 130 1 . 1 1 26 26 ALA C C 26 177.490 177.490 179.163 -1.673 19579 131 1 . 1 1 26 26 ALA CA C 26 54.536 54.536 54.884 -0.348 19579 132 1 . 1 1 26 26 ALA CB C 26 18.976 18.976 18.374 0.602 19579 133 1 . 1 1 26 26 ALA H H 26 7.552 7.552 8.184 -0.632 19579 134 1 . 1 1 27 27 VAL N N 27 113.110 113.110 114.865 -1.755 19579 135 1 . 1 1 27 27 VAL HA H 27 3.461 3.461 3.820 -0.359 19579 136 1 . 1 1 27 27 VAL C C 27 179.366 179.366 177.920 1.446 19579 137 1 . 1 1 27 27 VAL CA C 27 65.563 65.563 65.062 0.501 19579 138 1 . 1 1 27 27 VAL CB C 27 32.095 32.095 31.407 0.688 19579 139 1 . 1 1 27 27 VAL H H 27 7.283 7.283 7.626 -0.343 19579 140 1 . 1 1 28 28 ASN N N 28 119.671 119.671 119.536 0.135 19579 141 1 . 1 1 28 28 ASN HA H 28 4.355 4.355 4.487 -0.132 19579 142 1 . 1 1 28 28 ASN C C 28 177.667 177.667 177.510 0.157 19579 143 1 . 1 1 28 28 ASN CA C 28 56.091 56.091 55.920 0.171 19579 144 1 . 1 1 28 28 ASN CB C 28 38.320 38.320 37.951 0.369 19579 145 1 . 1 1 28 28 ASN H H 28 8.374 8.374 8.224 0.150 19579 146 1 . 1 1 29 29 ARG N N 29 116.957 116.957 119.324 -2.367 19579 147 1 . 1 1 29 29 ARG HA H 29 4.118 4.118 4.187 -0.069 19579 148 1 . 1 1 29 29 ARG C C 29 177.457 177.457 177.933 -0.476 19579 149 1 . 1 1 29 29 ARG CA C 29 58.695 58.695 57.812 0.884 19579 150 1 . 1 1 29 29 ARG CB C 29 30.137 30.137 29.923 0.214 19579 151 1 . 1 1 29 29 ARG H H 29 7.860 7.860 7.753 0.107 19579 152 1 . 1 1 30 30 LEU N N 30 121.060 121.060 119.159 1.901 19579 153 1 . 1 1 30 30 LEU HA H 30 3.954 3.954 4.168 -0.214 19579 154 1 . 1 1 30 30 LEU C C 30 174.975 174.975 177.883 -2.908 19579 155 1 . 1 1 30 30 LEU CA C 30 57.222 57.222 56.961 0.261 19579 156 1 . 1 1 30 30 LEU CB C 30 40.958 40.958 41.886 -0.928 19579 157 1 . 1 1 30 30 LEU H H 30 7.524 7.524 7.760 -0.236 19579 158 1 . 1 1 31 31 SER N N 31 106.764 106.764 112.642 -5.878 19579 159 1 . 1 1 31 31 SER HA H 31 4.523 4.523 4.464 0.059 19579 160 1 . 1 1 31 31 SER C C 31 174.666 174.666 174.085 0.581 19579 161 1 . 1 1 31 31 SER CA C 31 57.680 57.680 58.516 -0.836 19579 162 1 . 1 1 31 31 SER CB C 31 63.290 63.290 62.435 0.855 19579 163 1 . 1 1 31 31 SER H H 31 7.046 7.046 7.872 -0.826 19579 164 1 . 1 1 32 32 SER N N 32 117.235 117.235 116.493 0.742 19579 165 1 . 1 1 32 32 SER HA H 32 4.383 4.383 4.680 -0.297 19579 166 1 . 1 1 32 32 SER C C 32 174.677 174.677 174.565 0.112 19579 167 1 . 1 1 32 32 SER CA C 32 58.027 58.027 56.970 1.057 19579 168 1 . 1 1 32 32 SER CB C 32 66.069 66.069 64.582 1.487 19579 169 1 . 1 1 32 32 SER H H 32 7.721 7.721 7.550 0.171 19579 170 1 . 1 1 33 33 ALA N N 33 126.048 126.048 125.288 0.760 19579 171 1 . 1 1 33 33 ALA HA H 33 4.098 4.098 4.136 -0.038 19579 172 1 . 1 1 33 33 ALA C C 33 180.822 180.822 179.506 1.316 19579 173 1 . 1 1 33 33 ALA CA C 33 54.741 54.741 54.633 0.108 19579 174 1 . 1 1 33 33 ALA CB C 33 18.029 18.029 18.721 -0.692 19579 175 1 . 1 1 33 33 ALA H H 33 8.980 8.980 8.792 0.188 19579 176 1 . 1 1 34 34 GLU N N 34 117.978 117.978 119.564 -1.586 19579 177 1 . 1 1 34 34 GLU HA H 34 3.935 3.935 3.910 0.025 19579 178 1 . 1 1 34 34 GLU C C 34 178.560 178.560 178.696 -0.136 19579 179 1 . 1 1 34 34 GLU CA C 34 60.374 60.374 59.243 1.131 19579 180 1 . 1 1 34 34 GLU CB C 34 28.813 28.813 29.240 -0.427 19579 181 1 . 1 1 34 34 GLU H H 34 8.993 8.993 8.042 0.951 19579 182 1 . 1 1 35 35 ALA N N 35 123.748 123.748 121.812 1.936 19579 183 1 . 1 1 35 35 ALA HA H 35 4.051 4.051 4.278 -0.227 19579 184 1 . 1 1 35 35 ALA C C 35 179.101 179.101 179.554 -0.453 19579 185 1 . 1 1 35 35 ALA CA C 35 55.419 55.419 54.908 0.511 19579 186 1 . 1 1 35 35 ALA CB C 35 19.284 19.284 18.285 0.999 19579 187 1 . 1 1 35 35 ALA H H 35 7.443 7.443 7.974 -0.531 19579 188 1 . 1 1 36 36 ALA N N 36 118.503 118.503 120.032 -1.529 19579 189 1 . 1 1 36 36 ALA HA H 36 3.755 3.755 3.927 -0.172 19579 190 1 . 1 1 36 36 ALA C C 36 180.745 180.745 179.636 1.109 19579 191 1 . 1 1 36 36 ALA CA C 36 55.541 55.541 55.011 0.530 19579 192 1 . 1 1 36 36 ALA CB C 36 17.026 17.026 18.084 -1.058 19579 193 1 . 1 1 36 36 ALA H H 36 7.484 7.484 7.886 -0.402 19579 194 1 . 1 1 37 37 SER N N 37 114.688 114.688 113.641 1.047 19579 195 1 . 1 1 37 37 SER HA H 37 4.170 4.170 4.303 -0.132 19579 196 1 . 1 1 37 37 SER C C 37 177.214 177.214 176.550 0.664 19579 197 1 . 1 1 37 37 SER CA C 37 61.628 61.628 61.121 0.507 19579 198 1 . 1 1 37 37 SER CB C 37 62.653 62.653 63.234 -0.581 19579 199 1 . 1 1 37 37 SER H H 37 8.178 8.178 7.931 0.247 19579 200 1 . 1 1 38 38 ARG N N 38 123.817 123.817 121.508 2.309 19579 201 1 . 1 1 38 38 ARG HA H 38 4.004 4.004 4.139 -0.135 19579 202 1 . 1 1 38 38 ARG C C 38 179.564 179.564 178.521 1.043 19579 203 1 . 1 1 38 38 ARG CA C 38 60.657 60.657 59.055 1.602 19579 204 1 . 1 1 38 38 ARG CB C 38 31.813 31.813 30.492 1.321 19579 205 1 . 1 1 38 38 ARG H H 38 7.882 7.882 7.765 0.117 19579 206 1 . 1 1 39 39 VAL N N 39 120.446 120.446 119.384 1.062 19579 207 1 . 1 1 39 39 VAL HA H 39 3.329 3.329 3.677 -0.348 19579 208 1 . 1 1 39 39 VAL C C 39 178.505 178.505 177.536 0.969 19579 209 1 . 1 1 39 39 VAL CA C 39 68.194 68.194 66.440 1.754 19579 210 1 . 1 1 39 39 VAL CB C 39 31.570 31.570 31.659 -0.089 19579 211 1 . 1 1 39 39 VAL H H 39 8.543 8.543 8.419 0.124 19579 212 1 . 1 1 40 40 SER N N 40 114.009 114.009 114.419 -0.410 19579 213 1 . 1 1 40 40 SER HA H 40 4.080 4.080 4.011 0.069 19579 214 1 . 1 1 40 40 SER C C 40 176.340 176.340 176.314 0.026 19579 215 1 . 1 1 40 40 SER CA C 40 62.940 62.940 61.755 1.185 19579 216 1 . 1 1 40 40 SER CB C 40 62.953 62.953 62.635 0.318 19579 217 1 . 1 1 40 40 SER H H 40 8.602 8.602 8.065 0.537 19579 218 1 . 1 1 41 41 SER N N 41 114.648 114.648 115.113 -0.465 19579 219 1 . 1 1 41 41 SER HA H 41 4.333 4.333 4.444 -0.111 19579 220 1 . 1 1 41 41 SER C C 41 174.390 174.390 175.194 -0.804 19579 221 1 . 1 1 41 41 SER CA C 41 60.828 60.828 59.724 1.104 19579 222 1 . 1 1 41 41 SER CB C 41 63.563 63.563 63.251 0.312 19579 223 1 . 1 1 41 41 SER H H 41 8.003 8.003 7.738 0.265 19579 224 1 . 1 1 42 42 ASN N N 42 117.849 117.849 119.422 -1.573 19579 225 1 . 1 1 42 42 ASN HA H 42 4.964 4.964 4.828 0.136 19579 226 1 . 1 1 42 42 ASN C C 42 174.677 174.677 177.092 -2.415 19579 227 1 . 1 1 42 42 ASN CA C 42 55.363 55.363 54.501 0.862 19579 228 1 . 1 1 42 42 ASN CB C 42 42.266 42.266 40.320 1.946 19579 229 1 . 1 1 42 42 ASN H H 42 7.600 7.600 7.825 -0.225 19579 230 1 . 1 1 43 43 ILE N N 43 116.952 116.952 118.257 -1.305 19579 231 1 . 1 1 43 43 ILE HA H 43 3.671 3.671 3.777 -0.106 19579 232 1 . 1 1 43 43 ILE C C 43 176.773 176.773 176.864 -0.091 19579 233 1 . 1 1 43 43 ILE CA C 43 65.227 65.227 65.319 -0.092 19579 234 1 . 1 1 43 43 ILE CB C 43 37.410 37.410 37.202 0.208 19579 235 1 . 1 1 43 43 ILE H H 43 7.336 7.336 8.623 -1.287 19579 236 1 . 1 1 44 44 ALA N N 44 122.396 122.396 121.752 0.644 19579 237 1 . 1 1 44 44 ALA HA H 44 4.036 4.036 3.995 0.041 19579 238 1 . 1 1 44 44 ALA C C 44 180.304 180.304 178.566 1.738 19579 239 1 . 1 1 44 44 ALA CA C 44 55.388 55.388 54.594 0.794 19579 240 1 . 1 1 44 44 ALA CB C 44 17.488 17.488 18.102 -0.614 19579 241 1 . 1 1 44 44 ALA H H 44 8.617 8.617 8.324 0.293 19579 242 1 . 1 1 45 45 ALA N N 45 120.804 120.804 121.069 -0.265 19579 243 1 . 1 1 45 45 ALA HA H 45 4.053 4.053 4.217 -0.164 19579 244 1 . 1 1 45 45 ALA C C 45 180.591 180.591 179.868 0.723 19579 245 1 . 1 1 45 45 ALA CA C 45 54.752 54.752 54.261 0.491 19579 246 1 . 1 1 45 45 ALA CB C 45 18.617 18.617 19.027 -0.410 19579 247 1 . 1 1 45 45 ALA H H 45 7.913 7.913 7.625 0.288 19579 248 1 . 1 1 46 46 ILE N N 46 117.637 117.637 119.656 -2.019 19579 249 1 . 1 1 46 46 ILE HA H 46 3.628 3.628 3.811 -0.183 19579 250 1 . 1 1 46 46 ILE C C 46 177.612 177.612 178.310 -0.698 19579 251 1 . 1 1 46 46 ILE CA C 46 63.279 63.279 64.512 -1.233 19579 252 1 . 1 1 46 46 ILE CB C 46 37.660 37.660 37.805 -0.145 19579 253 1 . 1 1 46 46 ILE H H 46 7.313 7.313 7.606 -0.293 19579 254 1 . 1 1 47 47 ALA N N 47 121.493 121.493 121.900 -0.407 19579 255 1 . 1 1 47 47 ALA HA H 47 3.944 3.944 4.152 -0.208 19579 256 1 . 1 1 47 47 ALA C C 47 178.538 178.538 178.309 0.229 19579 257 1 . 1 1 47 47 ALA CA C 47 55.387 55.387 54.462 0.925 19579 258 1 . 1 1 47 47 ALA CB C 47 18.979 18.979 18.455 0.523 19579 259 1 . 1 1 47 47 ALA H H 47 8.413 8.413 8.424 -0.011 19579 260 1 . 1 1 48 48 SER N N 48 109.024 109.024 112.662 -3.638 19579 261 1 . 1 1 48 48 SER HA H 48 4.352 4.352 4.605 -0.253 19579 262 1 . 1 1 48 48 SER C C 48 176.056 176.056 174.735 1.321 19579 263 1 . 1 1 48 48 SER CA C 48 59.977 59.977 59.023 0.954 19579 264 1 . 1 1 48 48 SER CB C 48 63.838 63.838 64.230 -0.392 19579 265 1 . 1 1 48 48 SER H H 48 8.030 8.030 7.594 0.436 19579 266 1 . 1 1 49 49 GLY N N 49 108.121 108.121 107.934 0.187 19579 267 1 . 1 1 49 49 GLY C C 49 174.820 174.820 174.801 0.019 19579 268 1 . 1 1 49 49 GLY CA C 49 45.193 45.193 45.258 -0.065 19579 269 1 . 1 1 49 49 GLY H H 49 8.048 8.048 7.713 0.335 19579 270 1 . 1 1 50 50 GLY N N 50 111.955 111.955 109.626 2.329 19579 271 1 . 1 1 50 50 GLY C C 50 174.975 174.975 174.192 0.783 19579 272 1 . 1 1 50 50 GLY CA C 50 46.182 46.182 46.171 0.011 19579 273 1 . 1 1 50 50 GLY H H 50 8.409 8.409 8.187 0.222 19579 274 1 . 1 1 51 51 ALA N N 51 126.247 126.247 122.962 3.285 19579 275 1 . 1 1 51 51 ALA HA H 51 3.819 3.819 4.538 -0.719 19579 276 1 . 1 1 51 51 ALA C C 51 179.697 179.697 179.077 0.620 19579 277 1 . 1 1 51 51 ALA CA C 51 55.060 55.060 52.717 2.343 19579 278 1 . 1 1 51 51 ALA CB C 51 18.279 18.279 19.566 -1.287 19579 279 1 . 1 1 51 51 ALA H H 51 9.119 9.119 7.852 1.267 19579 280 1 . 1 1 52 52 SER N N 52 111.975 111.975 116.180 -4.205 19579 281 1 . 1 1 52 52 SER HA H 52 4.222 4.222 4.231 -0.009 19579 282 1 . 1 1 52 52 SER C C 52 174.983 174.983 175.131 -0.148 19579 283 1 . 1 1 52 52 SER CA C 52 60.814 60.814 60.611 0.203 19579 284 1 . 1 1 52 52 SER CB C 52 62.977 62.977 63.011 -0.034 19579 285 1 . 1 1 52 52 SER H H 52 8.231 8.231 8.626 -0.395 19579 286 1 . 1 1 53 53 ALA N N 53 122.484 122.484 122.175 0.309 19579 287 1 . 1 1 53 53 ALA HA H 53 4.402 4.402 4.388 0.014 19579 288 1 . 1 1 53 53 ALA C C 53 177.391 177.391 178.705 -1.314 19579 289 1 . 1 1 53 53 ALA CA C 53 52.127 52.127 52.823 -0.696 19579 290 1 . 1 1 53 53 ALA CB C 53 19.946 19.946 18.708 1.238 19579 291 1 . 1 1 53 53 ALA H H 53 7.602 7.602 8.009 -0.407 19579 292 1 . 1 1 54 54 LEU N N 54 117.414 117.414 120.527 -3.113 19579 293 1 . 1 1 54 54 LEU HA H 54 3.879 3.879 4.081 -0.202 19579 294 1 . 1 1 54 54 LEU C C 54 174.434 174.434 176.003 -1.569 19579 295 1 . 1 1 54 54 LEU CA C 54 60.315 60.315 60.168 0.147 19579 296 1 . 1 1 54 54 LEU CB C 54 39.620 39.620 39.579 0.041 19579 297 1 . 1 1 54 54 LEU H H 54 7.408 7.408 7.603 -0.195 19579 298 1 . 1 1 55 55 PRO HA H 55 4.191 4.191 4.333 -0.142 19579 299 1 . 1 1 55 55 PRO CA C 55 66.934 66.934 65.186 1.748 19579 300 1 . 1 1 55 55 PRO CB C 55 31.050 31.050 31.118 -0.068 19579 301 1 . 1 1 56 56 SER N N 56 113.559 113.559 112.221 1.338 19579 302 1 . 1 1 56 56 SER HA H 56 4.234 4.234 4.483 -0.249 19579 303 1 . 1 1 56 56 SER C C 56 176.552 176.552 175.058 1.494 19579 304 1 . 1 1 56 56 SER CA C 56 61.233 61.233 59.880 1.353 19579 305 1 . 1 1 56 56 SER CB C 56 62.733 62.733 63.469 -0.736 19579 306 1 . 1 1 56 56 SER H H 56 7.834 7.834 7.632 0.202 19579 307 1 . 1 1 57 57 VAL N N 57 123.292 123.292 120.282 3.010 19579 308 1 . 1 1 57 57 VAL HA H 57 3.743 3.743 4.214 -0.471 19579 309 1 . 1 1 57 57 VAL C C 57 178.042 178.042 176.872 1.170 19579 310 1 . 1 1 57 57 VAL CA C 57 66.460 66.460 64.161 2.299 19579 311 1 . 1 1 57 57 VAL CB C 57 31.768 31.768 33.145 -1.377 19579 312 1 . 1 1 57 57 VAL H H 57 8.263 8.263 7.796 0.467 19579 313 1 . 1 1 58 58 ILE N N 58 118.510 118.510 120.756 -2.246 19579 314 1 . 1 1 58 58 ILE HA H 58 3.684 3.684 3.695 -0.011 19579 315 1 . 1 1 58 58 ILE C C 58 176.221 176.221 178.074 -1.853 19579 316 1 . 1 1 58 58 ILE CA C 58 65.082 65.082 66.273 -1.191 19579 317 1 . 1 1 58 58 ILE CB C 58 37.349 37.349 37.791 -0.443 19579 318 1 . 1 1 58 58 ILE H H 58 8.873 8.873 8.530 0.343 19579 319 1 . 1 1 59 59 SER N N 59 114.238 114.238 113.514 0.724 19579 320 1 . 1 1 59 59 SER HA H 59 4.305 4.305 4.545 -0.240 19579 321 1 . 1 1 59 59 SER C C 59 177.534 177.534 176.214 1.320 19579 322 1 . 1 1 59 59 SER CA C 59 61.586 61.586 60.646 0.940 19579 323 1 . 1 1 59 59 SER CB C 59 62.951 62.951 63.115 -0.164 19579 324 1 . 1 1 59 59 SER H H 59 7.388 7.388 8.524 -1.136 19579 325 1 . 1 1 60 60 ASN N N 60 120.810 120.810 120.857 -0.047 19579 326 1 . 1 1 60 60 ASN HA H 60 4.360 4.360 4.641 -0.281 19579 327 1 . 1 1 60 60 ASN C C 60 178.616 178.616 177.718 0.898 19579 328 1 . 1 1 60 60 ASN CA C 60 56.715 56.715 55.801 0.914 19579 329 1 . 1 1 60 60 ASN CB C 60 38.996 38.996 38.528 0.468 19579 330 1 . 1 1 60 60 ASN H H 60 8.147 8.147 7.721 0.426 19579 331 1 . 1 1 61 61 ILE N N 61 121.116 121.116 121.127 -0.011 19579 332 1 . 1 1 61 61 ILE HA H 61 3.521 3.521 3.666 -0.145 19579 333 1 . 1 1 61 61 ILE C C 61 176.972 176.972 177.661 -0.689 19579 334 1 . 1 1 61 61 ILE CA C 61 66.562 66.562 65.419 1.143 19579 335 1 . 1 1 61 61 ILE CB C 61 39.006 39.006 38.032 0.974 19579 336 1 . 1 1 61 61 ILE H H 61 8.642 8.642 7.900 0.742 19579 337 1 . 1 1 62 62 TYR N N 62 119.953 119.953 120.426 -0.473 19579 338 1 . 1 1 62 62 TYR HA H 62 3.623 3.623 3.996 -0.373 19579 339 1 . 1 1 62 62 TYR C C 62 176.828 176.828 177.491 -0.662 19579 340 1 . 1 1 62 62 TYR CA C 62 63.083 63.083 61.921 1.162 19579 341 1 . 1 1 62 62 TYR CB C 62 38.975 38.975 38.356 0.619 19579 342 1 . 1 1 62 62 TYR H H 62 9.192 9.192 8.109 1.083 19579 343 1 . 1 1 63 63 SER N N 63 111.464 111.464 114.519 -3.055 19579 344 1 . 1 1 63 63 SER HA H 63 4.035 4.035 4.169 -0.134 19579 345 1 . 1 1 63 63 SER C C 63 177.325 177.325 177.029 0.296 19579 346 1 . 1 1 63 63 SER CA C 63 62.027 62.027 61.929 0.098 19579 347 1 . 1 1 63 63 SER CB C 63 62.565 62.565 62.551 0.014 19579 348 1 . 1 1 63 63 SER H H 63 8.320 8.320 7.956 0.364 19579 349 1 . 1 1 64 64 GLY N N 64 110.383 110.383 109.345 1.038 19579 350 1 . 1 1 64 64 GLY C C 64 175.581 175.581 175.624 -0.043 19579 351 1 . 1 1 64 64 GLY CA C 64 47.314 47.314 46.653 0.661 19579 352 1 . 1 1 64 64 GLY H H 64 7.724 7.724 7.594 0.131 19579 353 1 . 1 1 65 65 VAL N N 65 124.665 124.665 121.796 2.869 19579 354 1 . 1 1 65 65 VAL HA H 65 3.244 3.244 3.694 -0.450 19579 355 1 . 1 1 65 65 VAL C C 65 180.072 180.072 177.640 2.432 19579 356 1 . 1 1 65 65 VAL CA C 65 67.004 67.004 65.461 1.543 19579 357 1 . 1 1 65 65 VAL CB C 65 31.708 31.708 31.814 -0.106 19579 358 1 . 1 1 65 65 VAL H H 65 8.584 8.584 7.500 1.084 19579 359 1 . 1 1 66 66 VAL N N 66 120.803 120.803 118.823 1.980 19579 360 1 . 1 1 66 66 VAL HA H 66 3.723 3.723 3.551 0.172 19579 361 1 . 1 1 66 66 VAL C C 66 179.829 179.829 177.841 1.988 19579 362 1 . 1 1 66 66 VAL CA C 66 66.215 66.215 65.608 0.607 19579 363 1 . 1 1 66 66 VAL CB C 66 31.755 31.755 31.104 0.651 19579 364 1 . 1 1 66 66 VAL H H 66 8.305 8.305 7.731 0.574 19579 365 1 . 1 1 67 67 ALA N N 67 123.266 123.266 121.058 2.208 19579 366 1 . 1 1 67 67 ALA HA H 67 4.164 4.164 4.169 -0.005 19579 367 1 . 1 1 67 67 ALA C C 67 178.560 178.560 178.669 -0.109 19579 368 1 . 1 1 67 67 ALA CA C 67 54.424 54.424 54.242 0.182 19579 369 1 . 1 1 67 67 ALA CB C 67 18.011 18.011 18.250 -0.239 19579 370 1 . 1 1 67 67 ALA H H 67 7.979 7.979 7.801 0.178 19579 371 1 . 1 1 68 68 SER N N 68 112.669 112.669 114.054 -1.385 19579 372 1 . 1 1 68 68 SER HA H 68 4.436 4.436 4.353 0.083 19579 373 1 . 1 1 68 68 SER C C 68 174.555 174.555 175.171 -0.616 19579 374 1 . 1 1 68 68 SER CA C 68 59.634 59.634 58.991 0.643 19579 375 1 . 1 1 68 68 SER CB C 68 63.943 63.943 63.802 0.141 19579 376 1 . 1 1 68 68 SER H H 68 7.674 7.674 7.542 0.132 19579 377 1 . 1 1 69 69 GLY N N 69 109.146 109.146 109.139 0.007 19579 378 1 . 1 1 69 69 GLY C C 69 173.904 173.904 173.883 0.021 19579 379 1 . 1 1 69 69 GLY CA C 69 45.231 45.231 44.739 0.492 19579 380 1 . 1 1 69 69 GLY H H 69 7.939 7.939 7.546 0.393 19579 381 1 . 1 1 70 70 VAL N N 70 119.926 119.926 119.367 0.559 19579 382 1 . 1 1 70 70 VAL HA H 70 3.910 3.910 4.287 -0.377 19579 383 1 . 1 1 70 70 VAL C C 70 174.997 174.997 175.637 -0.640 19579 384 1 . 1 1 70 70 VAL CA C 70 62.284 62.284 61.002 1.282 19579 385 1 . 1 1 70 70 VAL CB C 70 32.424 32.424 33.679 -1.255 19579 386 1 . 1 1 70 70 VAL H H 70 6.723 6.723 7.430 -0.707 19579 387 1 . 1 1 71 71 SER N N 71 120.581 120.581 119.310 1.271 19579 388 1 . 1 1 71 71 SER HA H 71 4.386 4.386 4.442 -0.056 19579 389 1 . 1 1 71 71 SER C C 71 175.559 175.559 175.404 0.155 19579 390 1 . 1 1 71 71 SER CA C 71 58.441 58.441 58.019 0.422 19579 391 1 . 1 1 71 71 SER CB C 71 64.632 64.632 64.187 0.445 19579 392 1 . 1 1 71 71 SER H H 71 8.577 8.577 8.440 0.137 19579 393 1 . 1 1 72 72 SER N N 72 117.898 117.898 118.604 -0.706 19579 394 1 . 1 1 72 72 SER HA H 72 4.083 4.083 4.072 0.011 19579 395 1 . 1 1 72 72 SER C C 72 176.255 176.255 176.412 -0.157 19579 396 1 . 1 1 72 72 SER CA C 72 61.586 61.586 62.018 -0.432 19579 397 1 . 1 1 72 72 SER CB C 72 62.622 62.622 63.162 -0.540 19579 398 1 . 1 1 72 72 SER H H 72 8.889 8.889 8.708 0.181 19579 399 1 . 1 1 73 73 ASN N N 73 118.976 118.976 118.751 0.225 19579 400 1 . 1 1 73 73 ASN HA H 73 4.657 4.657 4.430 0.227 19579 401 1 . 1 1 73 73 ASN C C 73 176.506 176.506 177.290 -0.784 19579 402 1 . 1 1 73 73 ASN CA C 73 56.061 56.061 55.584 0.477 19579 403 1 . 1 1 73 73 ASN CB C 73 38.000 38.000 38.349 -0.349 19579 404 1 . 1 1 73 73 ASN H H 73 8.519 8.519 8.498 0.021 19579 405 1 . 1 1 74 74 GLU N N 74 118.543 118.543 118.865 -0.322 19579 406 1 . 1 1 74 74 GLU HA H 74 4.110 4.110 4.091 0.019 19579 407 1 . 1 1 74 74 GLU C C 74 176.994 176.994 177.937 -0.943 19579 408 1 . 1 1 74 74 GLU CA C 74 58.026 58.026 58.266 -0.240 19579 409 1 . 1 1 74 74 GLU CB C 74 31.363 31.363 29.369 1.994 19579 410 1 . 1 1 74 74 GLU H H 74 7.768 7.768 7.979 -0.211 19579 411 1 . 1 1 75 75 ALA N N 75 121.901 121.901 124.131 -2.230 19579 412 1 . 1 1 75 75 ALA HA H 75 3.690 3.690 3.971 -0.281 19579 413 1 . 1 1 75 75 ALA C C 75 178.318 178.318 179.228 -0.910 19579 414 1 . 1 1 75 75 ALA CA C 75 55.228 55.228 55.293 -0.065 19579 415 1 . 1 1 75 75 ALA CB C 75 18.641 18.641 18.260 0.381 19579 416 1 . 1 1 75 75 ALA H H 75 8.069 8.069 8.254 -0.185 19579 417 1 . 1 1 76 76 LEU N N 76 117.360 117.360 119.416 -2.056 19579 418 1 . 1 1 76 76 LEU HA H 76 4.110 4.110 4.194 -0.084 19579 419 1 . 1 1 76 76 LEU C C 76 177.854 177.854 178.622 -0.768 19579 420 1 . 1 1 76 76 LEU CA C 76 58.014 58.014 57.731 0.283 19579 421 1 . 1 1 76 76 LEU CB C 76 40.768 40.768 42.057 -1.289 19579 422 1 . 1 1 76 76 LEU H H 76 8.121 8.121 7.541 0.580 19579 423 1 . 1 1 77 77 ILE N N 77 116.714 116.714 119.115 -2.401 19579 424 1 . 1 1 77 77 ILE HA H 77 3.452 3.452 3.636 -0.184 19579 425 1 . 1 1 77 77 ILE C C 77 176.883 176.883 178.060 -1.177 19579 426 1 . 1 1 77 77 ILE CA C 77 64.258 64.258 64.743 -0.485 19579 427 1 . 1 1 77 77 ILE CB C 77 36.742 36.742 36.912 -0.170 19579 428 1 . 1 1 77 77 ILE H H 77 7.607 7.607 7.437 0.170 19579 429 1 . 1 1 78 78 GLN N N 78 119.338 119.338 119.860 -0.522 19579 430 1 . 1 1 78 78 GLN HA H 78 3.632 3.632 3.899 -0.267 19579 431 1 . 1 1 78 78 GLN C C 78 177.521 177.521 178.137 -0.616 19579 432 1 . 1 1 78 78 GLN CA C 78 60.320 60.320 59.254 1.065 19579 433 1 . 1 1 78 78 GLN CB C 78 28.175 28.175 28.336 -0.161 19579 434 1 . 1 1 78 78 GLN H H 78 8.119 8.119 8.603 -0.484 19579 435 1 . 1 1 79 79 ALA N N 79 119.218 119.218 122.053 -2.835 19579 436 1 . 1 1 79 79 ALA HA H 79 3.872 3.872 4.030 -0.158 19579 437 1 . 1 1 79 79 ALA C C 79 179.311 179.311 179.856 -0.545 19579 438 1 . 1 1 79 79 ALA CA C 79 54.825 54.825 55.128 -0.303 19579 439 1 . 1 1 79 79 ALA CB C 79 17.819 17.819 18.302 -0.483 19579 440 1 . 1 1 79 79 ALA H H 79 8.639 8.639 7.647 0.992 19579 441 1 . 1 1 80 80 LEU N N 80 116.262 116.262 118.750 -2.488 19579 442 1 . 1 1 80 80 LEU HA H 80 3.899 3.899 4.017 -0.118 19579 443 1 . 1 1 80 80 LEU C C 80 178.914 178.914 179.163 -0.249 19579 444 1 . 1 1 80 80 LEU CA C 80 58.011 58.011 57.413 0.598 19579 445 1 . 1 1 80 80 LEU CB C 80 41.615 41.615 41.413 0.202 19579 446 1 . 1 1 80 80 LEU H H 80 8.450 8.450 7.739 0.711 19579 447 1 . 1 1 81 81 LEU N N 81 118.995 118.995 119.859 -0.864 19579 448 1 . 1 1 81 81 LEU HA H 81 3.972 3.972 3.887 0.086 19579 449 1 . 1 1 81 81 LEU C C 81 180.127 180.127 179.330 0.797 19579 450 1 . 1 1 81 81 LEU CA C 81 57.983 57.983 58.342 -0.359 19579 451 1 . 1 1 81 81 LEU CB C 81 42.543 42.543 41.209 1.334 19579 452 1 . 1 1 81 81 LEU H H 81 8.151 8.151 8.461 -0.310 19579 453 1 . 1 1 82 82 GLU N N 82 124.890 124.890 119.049 5.841 19579 454 1 . 1 1 82 82 GLU HA H 82 3.633 3.633 4.091 -0.458 19579 455 1 . 1 1 82 82 GLU C C 82 178.505 178.505 179.280 -0.775 19579 456 1 . 1 1 82 82 GLU CA C 82 61.300 61.300 59.013 2.287 19579 457 1 . 1 1 82 82 GLU CB C 82 29.779 29.779 29.557 0.222 19579 458 1 . 1 1 82 82 GLU H H 82 8.659 8.659 8.133 0.526 19579 459 1 . 1 1 83 83 LEU N N 83 121.487 121.487 121.137 0.350 19579 460 1 . 1 1 83 83 LEU HA H 83 3.820 3.820 4.165 -0.345 19579 461 1 . 1 1 83 83 LEU C C 83 178.163 178.163 178.735 -0.572 19579 462 1 . 1 1 83 83 LEU CA C 83 58.155 58.155 57.703 0.452 19579 463 1 . 1 1 83 83 LEU CB C 83 41.634 41.634 41.566 0.067 19579 464 1 . 1 1 83 83 LEU H H 83 8.658 8.658 7.766 0.892 19579 465 1 . 1 1 84 84 LEU N N 84 118.904 118.904 118.034 0.870 19579 466 1 . 1 1 84 84 LEU HA H 84 3.786 3.786 4.181 -0.395 19579 467 1 . 1 1 84 84 LEU C C 84 178.064 178.064 178.541 -0.477 19579 468 1 . 1 1 84 84 LEU CA C 84 58.663 58.663 56.947 1.716 19579 469 1 . 1 1 84 84 LEU CB C 84 42.205 42.205 40.620 1.585 19579 470 1 . 1 1 84 84 LEU H H 84 8.803 8.803 8.444 0.359 19579 471 1 . 1 1 85 85 SER N N 85 114.347 114.347 114.219 0.128 19579 472 1 . 1 1 85 85 SER HA H 85 4.211 4.211 4.494 -0.283 19579 473 1 . 1 1 85 85 SER C C 85 174.633 174.633 175.617 -0.984 19579 474 1 . 1 1 85 85 SER CA C 85 62.957 62.957 60.112 2.845 19579 475 1 . 1 1 85 85 SER CB C 85 62.947 62.947 63.947 -1.000 19579 476 1 . 1 1 85 85 SER H H 85 7.879 7.879 7.749 0.130 19579 477 1 . 1 1 86 86 ALA N N 86 124.206 124.206 125.931 -1.725 19579 478 1 . 1 1 86 86 ALA HA H 86 3.770 3.770 4.109 -0.339 19579 479 1 . 1 1 86 86 ALA C C 86 178.538 178.538 179.184 -0.646 19579 480 1 . 1 1 86 86 ALA CA C 86 55.366 55.366 55.316 0.050 19579 481 1 . 1 1 86 86 ALA CB C 86 17.344 17.344 18.540 -1.196 19579 482 1 . 1 1 86 86 ALA H H 86 8.199 8.199 7.651 0.548 19579 483 1 . 1 1 87 87 LEU N N 87 116.463 116.463 115.557 0.906 19579 484 1 . 1 1 87 87 LEU HA H 87 3.821 3.821 4.201 -0.380 19579 485 1 . 1 1 87 87 LEU C C 87 178.709 178.709 178.464 0.245 19579 486 1 . 1 1 87 87 LEU CA C 87 58.354 58.354 57.690 0.664 19579 487 1 . 1 1 87 87 LEU CB C 87 42.594 42.594 40.454 2.140 19579 488 1 . 1 1 87 87 LEU H H 87 8.140 8.140 7.567 0.573 19579 489 1 . 1 1 88 88 VAL N N 88 118.854 118.854 119.893 -1.039 19579 490 1 . 1 1 88 88 VAL HA H 88 3.403 3.403 3.689 -0.286 19579 491 1 . 1 1 88 88 VAL C C 88 177.766 177.766 177.771 -0.005 19579 492 1 . 1 1 88 88 VAL CA C 88 66.665 66.665 66.115 0.550 19579 493 1 . 1 1 88 88 VAL CB C 88 31.447 31.447 31.336 0.111 19579 494 1 . 1 1 88 88 VAL H H 88 8.716 8.716 7.587 1.129 19579 495 1 . 1 1 89 89 HIS N N 89 121.227 121.227 119.650 1.577 19579 496 1 . 1 1 89 89 HIS HA H 89 4.039 4.039 4.295 -0.256 19579 497 1 . 1 1 89 89 HIS C C 89 178.880 178.880 177.566 1.314 19579 498 1 . 1 1 89 89 HIS CA C 89 61.322 61.322 59.963 1.359 19579 499 1 . 1 1 89 89 HIS CB C 89 31.748 31.748 30.223 1.525 19579 500 1 . 1 1 89 89 HIS H H 89 8.664 8.664 7.805 0.859 19579 501 1 . 1 1 90 90 VAL N N 90 118.094 118.094 117.655 0.439 19579 502 1 . 1 1 90 90 VAL HA H 90 3.567 3.567 3.906 -0.339 19579 503 1 . 1 1 90 90 VAL C C 90 177.733 177.733 177.475 0.258 19579 504 1 . 1 1 90 90 VAL CA C 90 66.830 66.830 65.472 1.358 19579 505 1 . 1 1 90 90 VAL CB C 90 31.600 31.600 31.415 0.185 19579 506 1 . 1 1 90 90 VAL H H 90 7.994 7.994 7.634 0.360 19579 507 1 . 1 1 91 91 LEU N N 91 119.672 119.672 120.691 -1.019 19579 508 1 . 1 1 91 91 LEU HA H 91 3.832 3.832 4.084 -0.252 19579 509 1 . 1 1 91 91 LEU C C 91 178.869 178.869 178.837 0.032 19579 510 1 . 1 1 91 91 LEU CA C 91 57.758 57.758 57.608 0.150 19579 511 1 . 1 1 91 91 LEU CB C 91 41.939 41.939 40.174 1.765 19579 512 1 . 1 1 91 91 LEU H H 91 8.393 8.393 7.954 0.439 19579 513 1 . 1 1 92 92 SER N N 92 113.554 113.554 113.435 0.119 19579 514 1 . 1 1 92 92 SER HA H 92 4.297 4.297 4.191 0.106 19579 515 1 . 1 1 92 92 SER C C 92 174.500 174.500 175.623 -1.123 19579 516 1 . 1 1 92 92 SER CA C 92 61.410 61.410 60.769 0.641 19579 517 1 . 1 1 92 92 SER CB C 92 63.254 63.254 62.954 0.300 19579 518 1 . 1 1 92 92 SER H H 92 7.900 7.900 7.699 0.201 19579 519 1 . 1 1 93 93 SER N N 93 115.055 115.055 115.134 -0.079 19579 520 1 . 1 1 93 93 SER HA H 93 4.704 4.704 4.585 0.119 19579 521 1 . 1 1 93 93 SER C C 93 173.044 173.044 174.675 -1.631 19579 522 1 . 1 1 93 93 SER CA C 93 57.967 57.967 58.750 -0.783 19579 523 1 . 1 1 93 93 SER CB C 93 64.574 64.574 64.056 0.518 19579 524 1 . 1 1 93 93 SER H H 93 7.420 7.420 7.511 -0.091 19579 525 1 . 1 1 94 94 ALA N N 94 124.504 124.504 125.059 -0.555 19579 526 1 . 1 1 94 94 ALA HA H 94 4.629 4.629 4.246 0.383 19579 527 1 . 1 1 94 94 ALA C C 94 176.199 176.199 177.534 -1.335 19579 528 1 . 1 1 94 94 ALA CA C 94 51.469 51.469 53.341 -1.873 19579 529 1 . 1 1 94 94 ALA CB C 94 21.620 21.620 19.016 2.604 19579 530 1 . 1 1 94 94 ALA H H 94 7.476 7.476 7.326 0.150 19579 531 1 . 1 1 95 95 SER N N 95 115.739 115.739 112.955 2.784 19579 532 1 . 1 1 95 95 SER HA H 95 4.758 4.758 4.114 0.644 19579 533 1 . 1 1 95 95 SER C C 95 174.136 174.136 174.160 -0.024 19579 534 1 . 1 1 95 95 SER CA C 95 57.343 57.343 58.794 -1.451 19579 535 1 . 1 1 95 95 SER CB C 95 63.303 63.303 60.973 2.330 19579 536 1 . 1 1 95 95 SER H H 95 8.483 8.483 7.811 0.672 19579 537 1 . 1 1 96 96 ILE N N 96 128.288 128.288 121.333 6.955 19579 538 1 . 1 1 96 96 ILE HA H 96 3.993 3.993 4.049 -0.056 19579 539 1 . 1 1 96 96 ILE C C 96 175.868 175.868 176.263 -0.395 19579 540 1 . 1 1 96 96 ILE CA C 96 61.362 61.362 62.176 -0.814 19579 541 1 . 1 1 96 96 ILE CB C 96 38.613 38.613 39.062 -0.449 19579 542 1 . 1 1 96 96 ILE H H 96 8.869 8.869 8.158 0.711 19579 543 1 . 1 1 97 97 GLY N N 97 115.495 115.495 115.504 -0.009 19579 544 1 . 1 1 97 97 GLY C C 97 173.022 173.022 173.451 -0.429 19579 545 1 . 1 1 97 97 GLY CA C 97 44.870 44.870 44.756 0.114 19579 546 1 . 1 1 97 97 GLY H H 97 8.272 8.272 8.454 -0.182 19579 547 1 . 1 1 98 98 ASN N N 98 120.819 120.819 119.434 1.385 19579 548 1 . 1 1 98 98 ASN HA H 98 4.648 4.648 4.845 -0.197 19579 549 1 . 1 1 98 98 ASN C C 98 174.809 174.809 174.562 0.246 19579 550 1 . 1 1 98 98 ASN CA C 98 53.426 53.426 52.706 0.720 19579 551 1 . 1 1 98 98 ASN CB C 98 38.665 38.665 39.627 -0.962 19579 552 1 . 1 1 98 98 ASN H H 98 8.420 8.420 8.327 0.093 19579 553 1 . 1 1 99 99 VAL N N 99 122.960 122.960 124.532 -1.572 19579 554 1 . 1 1 99 99 VAL HA H 99 4.174 4.174 4.209 -0.035 19579 555 1 . 1 1 99 99 VAL C C 99 174.500 174.500 175.993 -1.493 19579 556 1 . 1 1 99 99 VAL CA C 99 61.368 61.368 62.079 -0.711 19579 557 1 . 1 1 99 99 VAL CB C 99 33.406 33.406 32.943 0.463 19579 558 1 . 1 1 99 99 VAL H H 99 8.292 8.292 8.280 0.012 19579 559 1 . 1 1 100 100 SER N N 100 120.723 120.723 120.304 0.419 19579 560 1 . 1 1 100 100 SER HA H 100 4.756 4.756 4.625 0.131 19579 561 1 . 1 1 100 100 SER C C 100 174.235 174.235 174.945 -0.710 19579 562 1 . 1 1 100 100 SER CA C 100 56.687 56.687 57.732 -1.045 19579 563 1 . 1 1 100 100 SER CB C 100 64.904 64.904 63.991 0.913 19579 564 1 . 1 1 100 100 SER H H 100 8.644 8.644 8.527 0.117 19579 565 1 . 1 1 101 101 SER N N 101 117.236 117.236 120.969 -3.733 19579 566 1 . 1 1 101 101 SER HA H 101 4.130 4.130 4.535 -0.405 19579 567 1 . 1 1 101 101 SER CA C 101 59.000 59.000 58.390 0.610 19579 568 1 . 1 1 101 101 SER CB C 101 63.104 63.104 62.878 0.226 19579 569 1 . 1 1 102 102 VAL N N 102 124.874 124.874 121.964 2.910 19579 570 1 . 1 1 102 102 VAL HA H 102 3.821 3.821 4.199 -0.378 19579 571 1 . 1 1 102 102 VAL C C 102 177.545 177.545 175.641 1.904 19579 572 1 . 1 1 102 102 VAL CA C 102 64.582 64.582 61.954 2.628 19579 573 1 . 1 1 102 102 VAL CB C 102 31.480 31.480 32.582 -1.102 19579 574 1 . 1 1 102 102 VAL H H 102 8.090 8.090 7.712 0.378 19579 575 1 . 1 1 103 103 GLY N N 103 114.589 114.589 114.809 -0.220 19579 576 1 . 1 1 103 103 GLY C C 103 176.387 176.387 175.256 1.131 19579 577 1 . 1 1 103 103 GLY CA C 103 45.686 45.686 45.086 0.600 19579 578 1 . 1 1 103 103 GLY H H 103 9.051 9.051 8.588 0.463 19579 579 1 . 1 1 104 104 VAL N N 104 121.976 121.976 121.082 0.894 19579 580 1 . 1 1 104 104 VAL HA H 104 3.348 3.348 3.667 -0.319 19579 581 1 . 1 1 104 104 VAL C C 104 176.045 176.045 177.048 -1.003 19579 582 1 . 1 1 104 104 VAL CA C 104 65.889 65.889 64.427 1.462 19579 583 1 . 1 1 104 104 VAL CB C 104 31.265 31.265 31.469 -0.204 19579 584 1 . 1 1 104 104 VAL H H 104 7.753 7.753 8.078 -0.325 19579 585 1 . 1 1 105 105 ASP N N 105 117.868 117.868 118.943 -1.075 19579 586 1 . 1 1 105 105 ASP HA H 105 4.151 4.151 4.311 -0.160 19579 587 1 . 1 1 105 105 ASP C C 105 178.406 178.406 177.951 0.455 19579 588 1 . 1 1 105 105 ASP CA C 105 56.710 56.710 57.450 -0.740 19579 589 1 . 1 1 105 105 ASP CB C 105 38.652 38.652 40.712 -2.060 19579 590 1 . 1 1 105 105 ASP H H 105 8.719 8.719 8.682 0.037 19579 591 1 . 1 1 106 106 SER N N 106 117.500 117.500 113.180 4.320 19579 592 1 . 1 1 106 106 SER HA H 106 4.306 4.306 4.385 -0.079 19579 593 1 . 1 1 106 106 SER C C 106 176.784 176.784 176.427 0.357 19579 594 1 . 1 1 106 106 SER CA C 106 61.523 61.523 60.956 0.567 19579 595 1 . 1 1 106 106 SER CB C 106 62.480 62.480 63.312 -0.832 19579 596 1 . 1 1 106 106 SER H H 106 7.685 7.685 7.712 -0.027 19579 597 1 . 1 1 107 107 THR N N 107 121.741 121.741 119.758 1.983 19579 598 1 . 1 1 107 107 THR HA H 107 4.373 4.373 4.119 0.254 19579 599 1 . 1 1 107 107 THR C C 107 176.227 176.227 176.492 -0.265 19579 600 1 . 1 1 107 107 THR CA C 107 66.648 66.648 65.969 0.679 19579 601 1 . 1 1 107 107 THR CB C 107 66.884 66.884 68.845 -1.961 19579 602 1 . 1 1 107 107 THR H H 107 8.024 8.024 7.481 0.543 19579 603 1 . 1 1 108 108 LEU N N 108 122.175 122.175 121.190 0.985 19579 604 1 . 1 1 108 108 LEU HA H 108 3.916 3.916 3.968 -0.052 19579 605 1 . 1 1 108 108 LEU C C 108 178.560 178.560 178.118 0.442 19579 606 1 . 1 1 108 108 LEU CA C 108 59.169 59.169 57.691 1.478 19579 607 1 . 1 1 108 108 LEU CB C 108 41.029 41.029 41.375 -0.346 19579 608 1 . 1 1 108 108 LEU H H 108 8.475 8.475 8.325 0.150 19579 609 1 . 1 1 109 109 ASN N N 109 116.499 116.499 117.297 -0.798 19579 610 1 . 1 1 109 109 ASN HA H 109 4.486 4.486 4.640 -0.154 19579 611 1 . 1 1 109 109 ASN C C 109 177.181 177.181 177.342 -0.161 19579 612 1 . 1 1 109 109 ASN CA C 109 56.499 56.499 55.729 0.770 19579 613 1 . 1 1 109 109 ASN CB C 109 38.985 38.985 38.653 0.332 19579 614 1 . 1 1 109 109 ASN H H 109 7.567 7.567 7.611 -0.044 19579 615 1 . 1 1 110 110 VAL N N 110 121.382 121.382 120.266 1.115 19579 616 1 . 1 1 110 110 VAL HA H 110 3.877 3.877 3.814 0.063 19579 617 1 . 1 1 110 110 VAL C C 110 180.116 180.116 177.615 2.501 19579 618 1 . 1 1 110 110 VAL CA C 110 66.236 66.236 65.809 0.427 19579 619 1 . 1 1 110 110 VAL CB C 110 31.560 31.560 31.651 -0.091 19579 620 1 . 1 1 110 110 VAL H H 110 7.978 7.978 7.594 0.384 19579 621 1 . 1 1 111 111 VAL N N 111 123.748 123.748 120.318 3.430 19579 622 1 . 1 1 111 111 VAL HA H 111 3.358 3.358 3.794 -0.436 19579 623 1 . 1 1 111 111 VAL C C 111 177.424 177.424 177.467 -0.043 19579 624 1 . 1 1 111 111 VAL CA C 111 68.182 68.182 65.153 3.029 19579 625 1 . 1 1 111 111 VAL CB C 111 31.106 31.106 31.505 -0.399 19579 626 1 . 1 1 111 111 VAL H H 111 8.228 8.228 7.491 0.737 19579 627 1 . 1 1 112 112 GLN N N 112 120.331 120.331 118.675 1.656 19579 628 1 . 1 1 112 112 GLN HA H 112 3.598 3.598 3.936 -0.338 19579 629 1 . 1 1 112 112 GLN C C 112 178.329 178.329 178.164 0.165 19579 630 1 . 1 1 112 112 GLN CA C 112 60.309 60.309 59.343 0.966 19579 631 1 . 1 1 112 112 GLN CB C 112 30.141 30.141 28.280 1.861 19579 632 1 . 1 1 112 112 GLN H H 112 8.719 8.719 7.743 0.976 19579 633 1 . 1 1 113 113 ASP N N 113 117.931 117.931 117.617 0.314 19579 634 1 . 1 1 113 113 ASP HA H 113 4.350 4.350 4.475 -0.126 19579 635 1 . 1 1 113 113 ASP C C 113 178.406 178.406 177.490 0.916 19579 636 1 . 1 1 113 113 ASP CA C 113 57.029 57.029 56.565 0.464 19579 637 1 . 1 1 113 113 ASP CB C 113 41.294 41.294 40.912 0.382 19579 638 1 . 1 1 113 113 ASP H H 113 8.410 8.410 7.808 0.602 19579 639 1 . 1 1 114 114 SER N N 114 113.798 113.798 114.392 -0.594 19579 640 1 . 1 1 114 114 SER HA H 114 4.310 4.310 4.384 -0.074 19579 641 1 . 1 1 114 114 SER C C 114 175.416 175.416 175.926 -0.510 19579 642 1 . 1 1 114 114 SER CA C 114 61.981 61.981 60.696 1.285 19579 643 1 . 1 1 114 114 SER CB C 114 63.618 63.618 63.942 -0.324 19579 644 1 . 1 1 114 114 SER H H 114 7.973 7.973 7.495 0.478 19579 645 1 . 1 1 115 115 VAL N N 115 115.306 115.306 120.882 -5.576 19579 646 1 . 1 1 115 115 VAL HA H 115 4.207 4.207 4.429 -0.222 19579 647 1 . 1 1 115 115 VAL C C 115 177.325 177.325 177.084 0.241 19579 648 1 . 1 1 115 115 VAL CA C 115 63.264 63.264 61.997 1.267 19579 649 1 . 1 1 115 115 VAL CB C 115 32.367 32.367 32.321 0.046 19579 650 1 . 1 1 115 115 VAL H H 115 8.090 8.090 7.923 0.167 19579 651 1 . 1 1 116 116 GLY N N 116 107.952 107.952 109.283 -1.331 19579 652 1 . 1 1 116 116 GLY C C 116 175.129 175.129 174.887 0.242 19579 653 1 . 1 1 116 116 GLY CA C 116 47.830 47.830 47.575 0.255 19579 654 1 . 1 1 116 116 GLY H H 116 7.991 7.991 7.981 0.010 19579 655 1 . 1 1 117 117 GLN N N 117 116.191 116.191 118.002 -1.811 19579 656 1 . 1 1 117 117 GLN HA H 117 4.053 4.053 4.030 0.023 19579 657 1 . 1 1 117 117 GLN C C 117 176.056 176.056 176.166 -0.110 19579 658 1 . 1 1 117 117 GLN CA C 117 57.056 57.056 57.232 -0.177 19579 659 1 . 1 1 117 117 GLN CB C 117 28.492 28.492 27.644 0.848 19579 660 1 . 1 1 117 117 GLN H H 117 7.721 7.721 8.038 -0.317 19579 661 1 . 1 1 118 118 TYR N N 118 116.504 116.504 118.335 -1.831 19579 662 1 . 1 1 118 118 TYR HA H 118 4.226 4.226 4.406 -0.180 19579 663 1 . 1 1 118 118 TYR C C 118 174.919 174.919 177.373 -2.454 19579 664 1 . 1 1 118 118 TYR CA C 118 58.651 58.651 59.397 -0.746 19579 665 1 . 1 1 118 118 TYR CB C 118 38.991 38.991 39.630 -0.639 19579 666 1 . 1 1 118 118 TYR H H 118 7.685 7.685 7.923 -0.238 19579 667 1 . 1 1 119 119 VAL N N 119 115.145 115.145 117.404 -2.259 19579 668 1 . 1 1 119 119 VAL HA H 119 4.194 4.194 3.994 0.200 19579 669 1 . 1 1 119 119 VAL C C 119 174.666 174.666 177.102 -2.436 19579 670 1 . 1 1 119 119 VAL CA C 119 61.962 61.962 63.897 -1.935 19579 671 1 . 1 1 119 119 VAL CB C 119 32.617 32.617 31.931 0.686 19579 672 1 . 1 1 119 119 VAL H H 119 7.132 7.132 7.732 -0.600 19579 stop_ save_