data_19752 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19752 _Entry.PDB_ID 2MK5 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 19752 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN HA H 2 4.766 4.766 5.095 -0.329 19752 2 1 1 . 1 1 2 2 ASN C C 2 174.930 174.930 174.340 0.590 19752 3 1 1 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.812 0.397 19752 4 1 1 . 1 1 2 2 ASN CB C 2 39.213 39.213 40.360 -1.147 19752 5 1 1 . 1 1 3 3 ALA N N 3 124.643 124.643 122.885 1.758 19752 6 1 1 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.640 -0.376 19752 7 1 1 . 1 1 3 3 ALA C C 3 177.790 177.790 178.290 -0.500 19752 8 1 1 . 1 1 3 3 ALA CA C 3 52.837 52.837 53.672 -0.835 19752 9 1 1 . 1 1 3 3 ALA CB C 3 19.240 19.240 20.697 -1.457 19752 10 1 1 . 1 1 3 3 ALA H H 3 8.386 8.386 9.336 -0.950 19752 11 1 1 . 1 1 4 4 LYS N N 4 120.203 120.203 114.268 5.935 19752 12 1 1 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.329 -0.106 19752 13 1 1 . 1 1 4 4 LYS C C 4 176.230 176.230 175.006 1.224 19752 14 1 1 . 1 1 4 4 LYS CA C 4 56.534 56.534 55.324 1.210 19752 15 1 1 . 1 1 4 4 LYS CB C 4 32.811 32.811 34.388 -1.577 19752 16 1 1 . 1 1 4 4 LYS H H 4 8.300 8.300 8.842 -0.542 19752 17 1 1 . 1 1 5 5 ASN N N 5 119.229 119.229 121.344 -2.115 19752 18 1 1 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.637 0.031 19752 19 1 1 . 1 1 5 5 ASN C C 5 175.033 175.033 173.791 1.242 19752 20 1 1 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.734 0.391 19752 21 1 1 . 1 1 5 5 ASN CB C 5 38.777 38.777 37.580 1.197 19752 22 1 1 . 1 1 5 5 ASN H H 5 8.320 8.320 7.796 0.524 19752 23 1 1 . 1 1 6 6 TYR N N 6 120.593 120.593 121.179 -0.586 19752 24 1 1 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.772 -0.262 19752 25 1 1 . 1 1 6 6 TYR C C 6 175.554 175.554 173.910 1.644 19752 26 1 1 . 1 1 6 6 TYR CA C 6 58.213 58.213 56.553 1.659 19752 27 1 1 . 1 1 6 6 TYR CB C 6 38.601 38.601 40.289 -1.688 19752 28 1 1 . 1 1 6 6 TYR H H 6 8.087 8.087 7.501 0.586 19752 29 1 1 . 1 1 7 7 MET N N 7 121.477 121.477 121.659 -0.182 19752 30 1 1 . 1 1 7 7 MET HA H 7 4.391 4.391 4.620 -0.229 19752 31 1 1 . 1 1 7 7 MET C C 7 175.609 175.609 174.399 1.210 19752 32 1 1 . 1 1 7 7 MET CA C 7 55.494 55.494 55.814 -0.320 19752 33 1 1 . 1 1 7 7 MET CB C 7 32.970 32.970 34.479 -1.509 19752 34 1 1 . 1 1 7 7 MET H H 7 8.121 8.121 8.661 -0.540 19752 35 1 1 . 1 1 8 8 ASP N N 8 121.704 121.704 126.525 -4.821 19752 36 1 1 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.805 -0.250 19752 37 1 1 . 1 1 8 8 ASP C C 8 176.344 176.344 174.760 1.584 19752 38 1 1 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.402 0.069 19752 39 1 1 . 1 1 8 8 ASP CB C 8 41.322 41.322 40.643 0.679 19752 40 1 1 . 1 1 8 8 ASP H H 8 8.189 8.189 8.488 -0.299 19752 41 1 1 . 1 1 9 9 LYS N N 9 122.168 122.168 124.079 -1.911 19752 42 1 1 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.576 -0.269 19752 43 1 1 . 1 1 9 9 LYS C C 9 177.267 177.267 174.524 2.743 19752 44 1 1 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.305 0.317 19752 45 1 1 . 1 1 9 9 LYS CB C 9 32.765 32.765 35.674 -2.909 19752 46 1 1 . 1 1 9 9 LYS H H 9 8.335 8.335 7.827 0.508 19752 47 1 1 . 1 1 10 10 GLY N N 10 109.505 109.505 110.868 -1.363 19752 48 1 1 . 1 1 10 10 GLY C C 10 174.568 174.568 175.255 -0.687 19752 49 1 1 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.228 1.355 19752 50 1 1 . 1 1 10 10 GLY H H 10 8.497 8.497 8.657 -0.160 19752 51 1 1 . 1 1 11 11 THR N N 11 113.312 113.312 116.881 -3.569 19752 52 1 1 . 1 1 11 11 THR HA H 11 4.396 4.396 4.127 0.269 19752 53 1 1 . 1 1 11 11 THR C C 11 174.719 174.719 175.155 -0.436 19752 54 1 1 . 1 1 11 11 THR CA C 11 61.779 61.779 64.376 -2.597 19752 55 1 1 . 1 1 11 11 THR CB C 11 69.963 69.963 69.801 0.162 19752 56 1 1 . 1 1 11 11 THR H H 11 8.081 8.081 8.161 -0.080 19752 57 1 1 . 1 1 12 12 SER N N 12 118.272 118.272 115.525 2.747 19752 58 1 1 . 1 1 12 12 SER HA H 12 4.499 4.499 4.768 -0.269 19752 59 1 1 . 1 1 12 12 SER C C 12 174.766 174.766 173.416 1.350 19752 60 1 1 . 1 1 12 12 SER CA C 12 58.432 58.432 59.637 -1.205 19752 61 1 1 . 1 1 12 12 SER CB C 12 63.986 63.986 65.542 -1.556 19752 62 1 1 . 1 1 12 12 SER H H 12 8.413 8.413 7.684 0.729 19752 63 1 1 . 1 1 13 13 SER N N 13 118.106 118.106 117.518 0.588 19752 64 1 1 . 1 1 13 13 SER HA H 13 4.518 4.518 4.668 -0.150 19752 65 1 1 . 1 1 13 13 SER C C 13 174.674 174.674 173.239 1.435 19752 66 1 1 . 1 1 13 13 SER CA C 13 58.607 58.607 57.732 0.875 19752 67 1 1 . 1 1 13 13 SER CB C 13 63.869 63.869 64.061 -0.192 19752 68 1 1 . 1 1 13 13 SER H H 13 8.414 8.414 8.625 -0.211 19752 69 1 1 . 1 1 14 14 SER N N 14 117.724 117.724 117.008 0.716 19752 70 1 1 . 1 1 14 14 SER HA H 14 4.535 4.535 4.560 -0.025 19752 71 1 1 . 1 1 14 14 SER C C 14 174.743 174.743 175.071 -0.328 19752 72 1 1 . 1 1 14 14 SER CA C 14 58.630 58.630 58.584 0.046 19752 73 1 1 . 1 1 14 14 SER CB C 14 63.798 63.798 63.827 -0.029 19752 74 1 1 . 1 1 14 14 SER H H 14 8.379 8.379 7.790 0.589 19752 75 1 1 . 1 1 15 15 THR N N 15 116.549 116.549 110.056 6.493 19752 76 1 1 . 1 1 15 15 THR HA H 15 4.336 4.336 4.017 0.319 19752 77 1 1 . 1 1 15 15 THR C C 15 174.310 174.310 175.461 -1.151 19752 78 1 1 . 1 1 15 15 THR CA C 15 62.161 62.161 63.856 -1.695 19752 79 1 1 . 1 1 15 15 THR CB C 15 69.603 69.603 67.391 2.212 19752 80 1 1 . 1 1 15 15 THR H H 15 8.195 8.195 8.437 -0.242 19752 81 1 1 . 1 1 16 16 VAL N N 16 123.406 123.406 117.487 5.919 19752 82 1 1 . 1 1 16 16 VAL HA H 16 4.102 4.102 3.976 0.126 19752 83 1 1 . 1 1 16 16 VAL C C 16 175.934 175.934 176.371 -0.437 19752 84 1 1 . 1 1 16 16 VAL CA C 16 62.512 62.512 63.513 -1.001 19752 85 1 1 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.175 0.563 19752 86 1 1 . 1 1 16 16 VAL H H 16 8.121 8.121 7.761 0.360 19752 87 1 1 . 1 1 17 17 VAL N N 17 125.445 125.445 117.647 7.798 19752 88 1 1 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.994 0.091 19752 89 1 1 . 1 1 17 17 VAL C C 17 176.102 176.102 174.515 1.587 19752 90 1 1 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.633 -1.354 19752 91 1 1 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.185 1.492 19752 92 1 1 . 1 1 17 17 VAL H H 17 8.293 8.293 8.003 0.290 19752 93 1 1 . 1 1 18 18 LYS N N 18 126.281 126.281 126.271 0.010 19752 94 1 1 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.498 -0.156 19752 95 1 1 . 1 1 18 18 LYS C C 18 176.138 176.138 174.705 1.433 19752 96 1 1 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.453 0.752 19752 97 1 1 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.997 0.149 19752 98 1 1 . 1 1 18 18 LYS H H 18 8.478 8.478 8.116 0.362 19752 99 1 1 . 1 1 19 19 ASP N N 19 121.904 121.904 121.459 0.445 19752 100 1 1 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.632 -0.068 19752 101 1 1 . 1 1 19 19 ASP C C 19 176.698 176.698 174.971 1.727 19752 102 1 1 . 1 1 19 19 ASP CA C 19 54.385 54.385 53.748 0.637 19752 103 1 1 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.590 -1.367 19752 104 1 1 . 1 1 19 19 ASP H H 19 8.379 8.379 8.090 0.289 19752 105 1 1 . 1 1 20 20 GLY N N 20 109.177 109.177 109.550 -0.373 19752 106 1 1 . 1 1 20 20 GLY C C 20 174.374 174.374 173.249 1.125 19752 107 1 1 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.068 0.570 19752 108 1 1 . 1 1 20 20 GLY H H 20 8.390 8.390 7.957 0.433 19752 109 1 1 . 1 1 21 21 LYS N N 21 120.814 120.814 119.885 0.929 19752 110 1 1 . 1 1 21 21 LYS HA H 21 4.389 4.389 3.948 0.441 19752 111 1 1 . 1 1 21 21 LYS C C 21 177.041 177.041 175.200 1.841 19752 112 1 1 . 1 1 21 21 LYS CA C 21 56.576 56.576 58.643 -2.067 19752 113 1 1 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.020 1.070 19752 114 1 1 . 1 1 21 21 LYS H H 21 8.229 8.229 8.851 -0.622 19752 115 1 1 . 1 1 22 22 THR N N 22 115.105 115.105 112.047 3.058 19752 116 1 1 . 1 1 22 22 THR HA H 22 4.393 4.393 4.561 -0.168 19752 117 1 1 . 1 1 22 22 THR C C 22 174.607 174.607 174.314 0.293 19752 118 1 1 . 1 1 22 22 THR CA C 22 61.880 61.880 62.303 -0.423 19752 119 1 1 . 1 1 22 22 THR CB C 22 69.736 69.736 69.578 0.158 19752 120 1 1 . 1 1 22 22 THR H H 22 8.237 8.237 7.994 0.243 19752 121 1 1 . 1 1 24 24 SER HA H 24 4.486 4.486 4.707 -0.221 19752 122 1 1 . 1 1 24 24 SER C C 24 174.299 174.299 175.484 -1.185 19752 123 1 1 . 1 1 24 24 SER CA C 24 58.547 58.547 57.906 0.641 19752 124 1 1 . 1 1 24 24 SER CB C 24 63.787 63.787 63.343 0.444 19752 125 1 1 . 1 1 25 25 ALA N N 25 125.891 125.891 125.298 0.593 19752 126 1 1 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.282 0.094 19752 127 1 1 . 1 1 25 25 ALA C C 25 177.660 177.660 178.327 -0.667 19752 128 1 1 . 1 1 25 25 ALA CA C 25 52.629 52.629 54.366 -1.737 19752 129 1 1 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.531 0.760 19752 130 1 1 . 1 1 25 25 ALA H H 25 8.328 8.328 8.309 0.019 19752 131 1 1 . 1 1 26 26 SER N N 26 115.155 115.155 114.298 0.857 19752 132 1 1 . 1 1 26 26 SER HA H 26 4.486 4.486 4.553 -0.067 19752 133 1 1 . 1 1 26 26 SER C C 26 174.291 174.291 173.415 0.876 19752 134 1 1 . 1 1 26 26 SER CA C 26 58.237 58.237 58.298 -0.061 19752 135 1 1 . 1 1 26 26 SER CB C 26 63.917 63.917 63.047 0.870 19752 136 1 1 . 1 1 26 26 SER H H 26 8.267 8.267 8.487 -0.220 19752 137 1 1 . 1 1 27 27 THR N N 27 118.324 118.324 113.962 4.362 19752 138 1 1 . 1 1 27 27 THR HA H 27 4.627 4.627 4.237 0.390 19752 139 1 1 . 1 1 27 27 THR C C 27 172.782 172.782 172.861 -0.079 19752 140 1 1 . 1 1 27 27 THR CA C 27 59.748 59.748 62.742 -2.994 19752 141 1 1 . 1 1 27 27 THR CB C 27 69.702 69.702 67.462 2.240 19752 142 1 1 . 1 1 27 27 THR H H 27 8.164 8.164 7.459 0.705 19752 143 1 1 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.351 0.052 19752 144 1 1 . 1 1 28 28 PRO C C 28 176.630 176.630 176.994 -0.364 19752 145 1 1 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.411 -1.161 19752 146 1 1 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.842 0.323 19752 147 1 1 . 1 1 29 29 ALA N N 29 124.263 124.263 118.332 5.931 19752 148 1 1 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.095 0.254 19752 149 1 1 . 1 1 29 29 ALA C C 29 177.974 177.974 176.881 1.093 19752 150 1 1 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.723 -0.068 19752 151 1 1 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.261 2.017 19752 152 1 1 . 1 1 29 29 ALA H H 29 8.432 8.432 8.027 0.405 19752 153 1 1 . 1 1 30 30 THR N N 30 113.368 113.368 108.921 4.447 19752 154 1 1 . 1 1 30 30 THR HA H 30 4.281 4.281 4.085 0.196 19752 155 1 1 . 1 1 30 30 THR C C 30 174.257 174.257 174.014 0.243 19752 156 1 1 . 1 1 30 30 THR CA C 30 61.656 61.656 63.766 -2.110 19752 157 1 1 . 1 1 30 30 THR CB C 30 69.801 69.801 68.185 1.616 19752 158 1 1 . 1 1 30 30 THR H H 30 8.106 8.106 8.550 -0.444 19752 159 1 1 . 1 1 31 31 ARG N N 31 124.700 124.700 121.902 2.798 19752 160 1 1 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.782 -0.132 19752 161 1 1 . 1 1 31 31 ARG C C 31 174.094 174.094 173.563 0.531 19752 162 1 1 . 1 1 31 31 ARG CA C 31 54.051 54.051 52.843 1.208 19752 163 1 1 . 1 1 31 31 ARG CB C 31 30.374 30.374 31.100 -0.726 19752 164 1 1 . 1 1 31 31 ARG H H 31 8.318 8.318 7.396 0.922 19752 165 1 1 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.517 -0.018 19752 166 1 1 . 1 1 32 32 PRO C C 32 177.065 177.065 177.539 -0.474 19752 167 1 1 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.567 0.493 19752 168 1 1 . 1 1 32 32 PRO CB C 32 32.157 32.157 32.732 -0.575 19752 169 1 1 . 1 1 33 33 VAL N N 33 120.890 120.890 116.108 4.782 19752 170 1 1 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.087 0.121 19752 171 1 1 . 1 1 33 33 VAL C C 33 176.668 176.668 175.962 0.706 19752 172 1 1 . 1 1 33 33 VAL CA C 33 62.608 62.608 63.717 -1.109 19752 173 1 1 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.428 1.319 19752 174 1 1 . 1 1 33 33 VAL H H 33 8.447 8.447 8.372 0.075 19752 175 1 1 . 1 1 34 34 THR N N 34 116.709 116.709 108.929 7.780 19752 176 1 1 . 1 1 34 34 THR HA H 34 4.377 4.377 4.364 0.013 19752 177 1 1 . 1 1 34 34 THR C C 34 174.791 174.791 175.770 -0.979 19752 178 1 1 . 1 1 34 34 THR CA C 34 61.700 61.700 62.013 -0.313 19752 179 1 1 . 1 1 34 34 THR CB C 34 69.697 69.697 68.576 1.121 19752 180 1 1 . 1 1 34 34 THR H H 34 8.221 8.221 7.552 0.669 19752 181 1 1 . 1 1 35 35 GLY N N 35 111.182 111.182 112.332 -1.150 19752 182 1 1 . 1 1 35 35 GLY C C 35 173.940 173.940 174.329 -0.389 19752 183 1 1 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.874 -0.218 19752 184 1 1 . 1 1 35 35 GLY H H 35 8.376 8.376 7.649 0.727 19752 185 1 1 . 1 1 36 36 SER N N 36 116.779 116.779 119.088 -2.309 19752 186 1 1 . 1 1 36 36 SER HA H 36 4.456 4.456 4.592 -0.136 19752 187 1 1 . 1 1 36 36 SER C C 36 173.880 173.880 173.810 0.070 19752 188 1 1 . 1 1 36 36 SER CA C 36 58.255 58.255 59.009 -0.754 19752 189 1 1 . 1 1 36 36 SER CB C 36 64.195 64.195 63.023 1.172 19752 190 1 1 . 1 1 36 36 SER H H 36 8.456 8.456 8.530 -0.074 19752 191 1 1 . 1 1 37 37 TRP N N 37 121.744 121.744 122.205 -0.461 19752 192 1 1 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.862 -0.334 19752 193 1 1 . 1 1 37 37 TRP C C 37 176.500 176.500 175.362 1.138 19752 194 1 1 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.186 0.904 19752 195 1 1 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.499 0.508 19752 196 1 1 . 1 1 37 37 TRP H H 37 8.171 8.171 7.541 0.630 19752 197 1 1 . 1 1 38 38 LYS N N 38 123.158 123.158 121.568 1.590 19752 198 1 1 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.736 -0.110 19752 199 1 1 . 1 1 38 38 LYS C C 38 172.839 172.839 174.636 -1.797 19752 200 1 1 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.884 1.272 19752 201 1 1 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.032 0.624 19752 202 1 1 . 1 1 38 38 LYS H H 38 8.736 8.736 8.924 -0.188 19752 203 1 1 . 1 1 39 39 LYS N N 39 121.526 121.526 124.085 -2.559 19752 204 1 1 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.804 0.936 19752 205 1 1 . 1 1 39 39 LYS C C 39 177.510 177.510 175.425 2.085 19752 206 1 1 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.080 -0.764 19752 207 1 1 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.154 0.203 19752 208 1 1 . 1 1 39 39 LYS H H 39 8.123 8.123 8.195 -0.072 19752 209 1 1 . 1 1 40 40 ASN N N 40 123.988 123.988 122.764 1.224 19752 210 1 1 . 1 1 40 40 ASN HA H 40 5.056 5.056 5.060 -0.004 19752 211 1 1 . 1 1 40 40 ASN C C 40 177.524 177.524 176.298 1.226 19752 212 1 1 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.005 -1.165 19752 213 1 1 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.409 -2.253 19752 214 1 1 . 1 1 40 40 ASN H H 40 8.583 8.583 8.900 -0.317 19752 215 1 1 . 1 1 41 41 GLN N N 41 116.529 116.529 121.921 -5.392 19752 216 1 1 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.967 0.093 19752 217 1 1 . 1 1 41 41 GLN C C 41 175.829 175.829 176.911 -1.082 19752 218 1 1 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.164 -0.403 19752 219 1 1 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.007 -0.060 19752 220 1 1 . 1 1 41 41 GLN H H 41 8.856 8.856 8.879 -0.023 19752 221 1 1 . 1 1 42 42 TYR N N 42 119.255 119.255 119.421 -0.166 19752 222 1 1 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.453 0.198 19752 223 1 1 . 1 1 42 42 TYR C C 42 175.782 175.782 175.865 -0.083 19752 224 1 1 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.076 -0.956 19752 225 1 1 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.227 -0.109 19752 226 1 1 . 1 1 42 42 TYR H H 42 7.604 7.604 8.528 -0.924 19752 227 1 1 . 1 1 43 43 GLY N N 43 106.354 106.354 105.349 1.005 19752 228 1 1 . 1 1 43 43 GLY C C 43 173.297 173.297 174.337 -1.040 19752 229 1 1 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.108 0.056 19752 230 1 1 . 1 1 43 43 GLY H H 43 7.993 7.993 7.844 0.149 19752 231 1 1 . 1 1 44 44 THR N N 44 120.062 120.062 116.769 3.293 19752 232 1 1 . 1 1 44 44 THR HA H 44 4.176 4.176 4.575 -0.399 19752 233 1 1 . 1 1 44 44 THR C C 44 173.969 173.969 173.761 0.208 19752 234 1 1 . 1 1 44 44 THR CA C 44 62.132 62.132 63.746 -1.614 19752 235 1 1 . 1 1 44 44 THR CB C 44 68.989 68.989 69.793 -0.804 19752 236 1 1 . 1 1 44 44 THR H H 44 7.781 7.781 7.589 0.192 19752 237 1 1 . 1 1 45 45 TRP N N 45 129.666 129.666 125.086 4.580 19752 238 1 1 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.412 0.264 19752 239 1 1 . 1 1 45 45 TRP C C 45 175.999 175.999 175.858 0.141 19752 240 1 1 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.101 0.505 19752 241 1 1 . 1 1 45 45 TRP CB C 45 30.641 30.641 32.070 -1.429 19752 242 1 1 . 1 1 45 45 TRP H H 45 8.041 8.041 8.649 -0.608 19752 243 1 1 . 1 1 46 46 TYR N N 46 122.938 122.938 117.378 5.560 19752 244 1 1 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.108 0.230 19752 245 1 1 . 1 1 46 46 TYR C C 46 173.663 173.663 173.656 0.007 19752 246 1 1 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.585 0.722 19752 247 1 1 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.141 1.984 19752 248 1 1 . 1 1 46 46 TYR H H 46 10.329 10.329 9.306 1.023 19752 249 1 1 . 1 1 47 47 LYS N N 47 118.986 118.986 118.842 0.144 19752 250 1 1 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.950 -0.179 19752 251 1 1 . 1 1 47 47 LYS C C 47 172.462 172.462 174.016 -1.554 19752 252 1 1 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.476 1.236 19752 253 1 1 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.172 -0.054 19752 254 1 1 . 1 1 47 47 LYS H H 47 8.923 8.923 9.143 -0.220 19752 255 1 1 . 1 1 48 48 PRO HA H 48 4.802 4.802 5.131 -0.329 19752 256 1 1 . 1 1 48 48 PRO C C 48 176.747 176.747 176.139 0.608 19752 257 1 1 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.667 -0.002 19752 258 1 1 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.748 0.291 19752 259 1 1 . 1 1 49 49 GLU N N 49 125.285 125.285 125.331 -0.046 19752 260 1 1 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.402 -0.414 19752 261 1 1 . 1 1 49 49 GLU C C 49 170.927 170.927 174.528 -3.601 19752 262 1 1 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.937 1.933 19752 263 1 1 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.402 0.828 19752 264 1 1 . 1 1 49 49 GLU H H 49 7.771 7.771 8.617 -0.846 19752 265 1 1 . 1 1 50 50 ASN N N 50 122.328 122.328 123.338 -1.010 19752 266 1 1 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.628 -0.230 19752 267 1 1 . 1 1 50 50 ASN C C 50 173.648 173.648 174.366 -0.718 19752 268 1 1 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.922 -1.236 19752 269 1 1 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.427 0.219 19752 270 1 1 . 1 1 50 50 ASN H H 50 8.148 8.148 8.612 -0.464 19752 271 1 1 . 1 1 51 51 ALA N N 51 126.527 126.527 126.647 -0.120 19752 272 1 1 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.534 -0.081 19752 273 1 1 . 1 1 51 51 ALA C C 51 172.872 172.872 174.600 -1.728 19752 274 1 1 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.902 0.695 19752 275 1 1 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.557 -2.887 19752 276 1 1 . 1 1 51 51 ALA H H 51 7.085 7.085 7.681 -0.596 19752 277 1 1 . 1 1 52 52 THR N N 52 112.831 112.831 114.244 -1.413 19752 278 1 1 . 1 1 52 52 THR HA H 52 5.167 5.167 5.201 -0.034 19752 279 1 1 . 1 1 52 52 THR C C 52 172.852 172.852 173.143 -0.291 19752 280 1 1 . 1 1 52 52 THR CA C 52 62.232 62.232 61.019 1.213 19752 281 1 1 . 1 1 52 52 THR CB C 52 71.068 71.068 71.184 -0.117 19752 282 1 1 . 1 1 52 52 THR H H 52 8.036 8.036 8.270 -0.234 19752 283 1 1 . 1 1 53 53 PHE N N 53 127.883 127.883 126.568 1.315 19752 284 1 1 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.188 0.135 19752 285 1 1 . 1 1 53 53 PHE C C 53 172.928 172.928 172.834 0.094 19752 286 1 1 . 1 1 53 53 PHE CA C 53 55.275 55.275 56.231 -0.956 19752 287 1 1 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.073 0.132 19752 288 1 1 . 1 1 53 53 PHE H H 53 9.714 9.714 9.448 0.266 19752 289 1 1 . 1 1 54 54 VAL N N 54 127.284 127.284 128.515 -1.231 19752 290 1 1 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.433 -0.113 19752 291 1 1 . 1 1 54 54 VAL C C 54 175.842 175.842 174.055 1.787 19752 292 1 1 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.646 -0.494 19752 293 1 1 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.116 -0.378 19752 294 1 1 . 1 1 54 54 VAL H H 54 8.583 8.583 8.920 -0.337 19752 295 1 1 . 1 1 55 55 ASN N N 55 125.723 125.723 125.681 0.042 19752 296 1 1 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.099 0.061 19752 297 1 1 . 1 1 55 55 ASN C C 55 176.333 176.333 174.331 2.002 19752 298 1 1 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.077 0.512 19752 299 1 1 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.850 -1.205 19752 300 1 1 . 1 1 55 55 ASN H H 55 8.970 8.970 8.550 0.420 19752 301 1 1 . 1 1 56 56 GLY N N 56 114.389 114.389 111.818 2.571 19752 302 1 1 . 1 1 56 56 GLY C C 56 173.882 173.882 173.777 0.105 19752 303 1 1 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.207 -0.531 19752 304 1 1 . 1 1 56 56 GLY H H 56 8.360 8.360 7.939 0.421 19752 305 1 1 . 1 1 57 57 ASN N N 57 115.511 115.511 116.311 -0.800 19752 306 1 1 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.540 -0.029 19752 307 1 1 . 1 1 57 57 ASN C C 57 174.741 174.741 173.833 0.908 19752 308 1 1 . 1 1 57 57 ASN CA C 57 54.213 54.213 55.068 -0.855 19752 309 1 1 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.148 0.481 19752 310 1 1 . 1 1 57 57 ASN H H 57 8.149 8.149 8.848 -0.699 19752 311 1 1 . 1 1 58 58 GLN N N 58 118.128 118.128 117.194 0.934 19752 312 1 1 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.735 0.225 19752 313 1 1 . 1 1 58 58 GLN C C 58 172.603 172.603 172.831 -0.228 19752 314 1 1 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.530 -0.897 19752 315 1 1 . 1 1 58 58 GLN CB C 58 30.568 30.568 30.993 -0.425 19752 316 1 1 . 1 1 58 58 GLN H H 58 7.702 7.702 7.972 -0.270 19752 317 1 1 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.642 0.298 19752 318 1 1 . 1 1 59 59 PRO C C 59 176.506 176.506 176.014 0.492 19752 319 1 1 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.682 -0.426 19752 320 1 1 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.245 0.415 19752 321 1 1 . 1 1 60 60 ILE N N 60 120.974 120.974 125.187 -4.213 19752 322 1 1 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.298 -0.024 19752 323 1 1 . 1 1 60 60 ILE C C 60 175.190 175.190 174.769 0.421 19752 324 1 1 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.257 0.430 19752 325 1 1 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.779 1.966 19752 326 1 1 . 1 1 60 60 ILE H H 60 8.126 8.126 8.865 -0.739 19752 327 1 1 . 1 1 61 61 VAL N N 61 128.224 128.224 128.536 -0.312 19752 328 1 1 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.198 -0.085 19752 329 1 1 . 1 1 61 61 VAL C C 61 175.973 175.973 175.321 0.652 19752 330 1 1 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.830 2.446 19752 331 1 1 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.314 -0.384 19752 332 1 1 . 1 1 61 61 VAL H H 61 8.421 8.421 8.665 -0.244 19752 333 1 1 . 1 1 62 62 THR N N 62 118.454 118.454 122.808 -4.354 19752 334 1 1 . 1 1 62 62 THR HA H 62 5.021 5.021 4.755 0.266 19752 335 1 1 . 1 1 62 62 THR C C 62 174.936 174.936 173.952 0.984 19752 336 1 1 . 1 1 62 62 THR CA C 62 61.286 61.286 60.757 0.529 19752 337 1 1 . 1 1 62 62 THR CB C 62 71.133 71.133 71.529 -0.396 19752 338 1 1 . 1 1 62 62 THR H H 62 7.989 7.989 9.054 -1.065 19752 339 1 1 . 1 1 63 63 ARG N N 63 118.225 118.225 119.004 -0.779 19752 340 1 1 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.422 0.007 19752 341 1 1 . 1 1 63 63 ARG C C 63 175.607 175.607 175.113 0.494 19752 342 1 1 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.420 -0.773 19752 343 1 1 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.248 0.355 19752 344 1 1 . 1 1 63 63 ARG H H 63 9.336 9.336 9.098 0.238 19752 345 1 1 . 1 1 64 64 ILE N N 64 119.746 119.746 120.646 -0.900 19752 346 1 1 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.531 -0.066 19752 347 1 1 . 1 1 64 64 ILE C C 64 179.206 179.206 177.442 1.764 19752 348 1 1 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.542 -0.353 19752 349 1 1 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.548 -1.300 19752 350 1 1 . 1 1 64 64 ILE H H 64 8.741 8.741 8.579 0.162 19752 351 1 1 . 1 1 65 65 GLY N N 65 116.059 116.059 117.261 -1.202 19752 352 1 1 . 1 1 65 65 GLY C C 65 174.185 174.185 173.773 0.412 19752 353 1 1 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.181 1.490 19752 354 1 1 . 1 1 65 65 GLY H H 65 9.316 9.316 9.363 -0.047 19752 355 1 1 . 1 1 66 66 SER N N 66 114.840 114.840 115.140 -0.300 19752 356 1 1 . 1 1 66 66 SER HA H 66 4.160 4.160 4.461 -0.301 19752 357 1 1 . 1 1 66 66 SER C C 66 170.281 170.281 171.313 -1.032 19752 358 1 1 . 1 1 66 66 SER CA C 66 56.207 56.207 56.016 0.191 19752 359 1 1 . 1 1 66 66 SER CB C 66 63.737 63.737 65.553 -1.816 19752 360 1 1 . 1 1 66 66 SER H H 66 7.412 7.412 7.228 0.184 19752 361 1 1 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.799 -1.160 19752 362 1 1 . 1 1 67 67 PRO C C 67 170.030 170.030 174.201 -4.171 19752 363 1 1 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.371 -1.701 19752 364 1 1 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.245 -5.335 19752 365 1 1 . 1 1 68 68 PHE N N 68 111.778 111.778 117.212 -5.434 19752 366 1 1 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.315 0.178 19752 367 1 1 . 1 1 68 68 PHE C C 68 177.055 177.055 176.297 0.758 19752 368 1 1 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.165 -0.537 19752 369 1 1 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.408 1.950 19752 370 1 1 . 1 1 68 68 PHE H H 68 6.610 6.610 7.094 -0.484 19752 371 1 1 . 1 1 69 69 LEU N N 69 119.491 119.491 121.587 -2.096 19752 372 1 1 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.487 -0.174 19752 373 1 1 . 1 1 69 69 LEU C C 69 176.326 176.326 176.983 -0.657 19752 374 1 1 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.766 -0.535 19752 375 1 1 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.888 -1.018 19752 376 1 1 . 1 1 69 69 LEU H H 69 8.388 8.388 8.448 -0.060 19752 377 1 1 . 1 1 70 70 ASN N N 70 112.229 112.229 114.622 -2.393 19752 378 1 1 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.761 0.081 19752 379 1 1 . 1 1 70 70 ASN C C 70 175.620 175.620 174.319 1.301 19752 380 1 1 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.237 -0.569 19752 381 1 1 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.876 -1.223 19752 382 1 1 . 1 1 70 70 ASN H H 70 7.675 7.675 8.166 -0.491 19752 383 1 1 . 1 1 71 71 ALA N N 71 123.955 123.955 123.801 0.154 19752 384 1 1 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.598 -0.039 19752 385 1 1 . 1 1 71 71 ALA C C 71 174.274 174.274 175.657 -1.383 19752 386 1 1 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.533 0.937 19752 387 1 1 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.206 -0.363 19752 388 1 1 . 1 1 71 71 ALA H H 71 7.152 7.152 7.237 -0.085 19752 389 1 1 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.351 0.062 19752 390 1 1 . 1 1 72 72 PRO C C 72 176.342 176.342 175.814 0.528 19752 391 1 1 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.722 -0.603 19752 392 1 1 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.702 0.454 19752 393 1 1 . 1 1 73 73 VAL N N 73 121.078 121.078 118.588 2.490 19752 394 1 1 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.588 -0.304 19752 395 1 1 . 1 1 73 73 VAL C C 73 177.864 177.864 177.157 0.707 19752 396 1 1 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.936 3.341 19752 397 1 1 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.562 -1.838 19752 398 1 1 . 1 1 73 73 VAL H H 73 8.328 8.328 8.097 0.231 19752 399 1 1 . 1 1 74 74 GLY N N 74 114.118 114.118 108.274 5.844 19752 400 1 1 . 1 1 74 74 GLY C C 74 173.963 173.963 173.831 0.132 19752 401 1 1 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.727 0.058 19752 402 1 1 . 1 1 74 74 GLY H H 74 8.781 8.781 8.856 -0.075 19752 403 1 1 . 1 1 75 75 GLY N N 75 107.324 107.324 109.495 -2.171 19752 404 1 1 . 1 1 75 75 GLY C C 75 173.460 173.460 172.192 1.268 19752 405 1 1 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.510 -0.762 19752 406 1 1 . 1 1 75 75 GLY H H 75 7.278 7.278 7.765 -0.487 19752 407 1 1 . 1 1 76 76 ASN N N 76 119.682 119.682 123.662 -3.980 19752 408 1 1 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.944 0.478 19752 409 1 1 . 1 1 76 76 ASN C C 76 175.760 175.760 174.587 1.173 19752 410 1 1 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.888 -0.611 19752 411 1 1 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.382 -2.169 19752 412 1 1 . 1 1 76 76 ASN H H 76 8.797 8.797 8.706 0.091 19752 413 1 1 . 1 1 77 77 LEU N N 77 129.545 129.545 128.482 1.063 19752 414 1 1 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.906 -0.035 19752 415 1 1 . 1 1 77 77 LEU C C 77 174.374 174.374 174.346 0.028 19752 416 1 1 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.288 0.926 19752 417 1 1 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.774 -0.703 19752 418 1 1 . 1 1 77 77 LEU H H 77 10.083 10.083 9.174 0.909 19752 419 1 1 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.575 -0.246 19752 420 1 1 . 1 1 78 78 PRO C C 78 177.553 177.553 175.857 1.696 19752 421 1 1 . 1 1 78 78 PRO CA C 78 62.581 62.581 61.970 0.611 19752 422 1 1 . 1 1 78 78 PRO CB C 78 32.721 32.721 33.047 -0.326 19752 423 1 1 . 1 1 79 79 ALA N N 79 125.294 125.294 121.826 3.468 19752 424 1 1 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.026 0.234 19752 425 1 1 . 1 1 79 79 ALA C C 79 179.984 179.984 178.228 1.756 19752 426 1 1 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.347 0.831 19752 427 1 1 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.291 -1.045 19752 428 1 1 . 1 1 79 79 ALA H H 79 8.585 8.585 8.020 0.565 19752 429 1 1 . 1 1 80 80 GLY N N 80 110.970 110.970 108.534 2.436 19752 430 1 1 . 1 1 80 80 GLY C C 80 173.499 173.499 173.676 -0.177 19752 431 1 1 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.968 0.986 19752 432 1 1 . 1 1 80 80 GLY H H 80 8.004 8.004 8.830 -0.826 19752 433 1 1 . 1 1 81 81 ALA N N 81 122.249 122.249 122.966 -0.717 19752 434 1 1 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.634 -0.383 19752 435 1 1 . 1 1 81 81 ALA C C 81 175.709 175.709 175.996 -0.287 19752 436 1 1 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.161 1.604 19752 437 1 1 . 1 1 81 81 ALA CB C 81 20.853 20.853 20.117 0.736 19752 438 1 1 . 1 1 81 81 ALA H H 81 7.363 7.363 7.437 -0.074 19752 439 1 1 . 1 1 82 82 THR N N 82 114.980 114.980 121.564 -6.584 19752 440 1 1 . 1 1 82 82 THR HA H 82 5.171 5.171 4.691 0.480 19752 441 1 1 . 1 1 82 82 THR C C 82 174.618 174.618 173.707 0.911 19752 442 1 1 . 1 1 82 82 THR CA C 82 62.118 62.118 62.535 -0.417 19752 443 1 1 . 1 1 82 82 THR CB C 82 70.555 70.555 68.826 1.729 19752 444 1 1 . 1 1 82 82 THR H H 82 8.181 8.181 8.626 -0.445 19752 445 1 1 . 1 1 83 83 ILE N N 83 127.480 127.480 129.678 -2.198 19752 446 1 1 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.325 0.079 19752 447 1 1 . 1 1 83 83 ILE C C 83 173.926 173.926 174.268 -0.342 19752 448 1 1 . 1 1 83 83 ILE CA C 83 58.339 58.339 59.043 -0.704 19752 449 1 1 . 1 1 83 83 ILE CB C 83 42.228 42.228 39.351 2.877 19752 450 1 1 . 1 1 83 83 ILE H H 83 9.627 9.627 9.300 0.327 19752 451 1 1 . 1 1 84 84 VAL N N 84 128.246 128.246 130.056 -1.810 19752 452 1 1 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.435 0.238 19752 453 1 1 . 1 1 84 84 VAL C C 84 175.501 175.501 174.824 0.677 19752 454 1 1 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.715 1.420 19752 455 1 1 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.486 -0.830 19752 456 1 1 . 1 1 84 84 VAL H H 84 8.059 8.059 8.663 -0.604 19752 457 1 1 . 1 1 85 85 TYR N N 85 126.862 126.862 125.980 0.882 19752 458 1 1 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.834 0.591 19752 459 1 1 . 1 1 85 85 TYR C C 85 174.273 174.273 174.403 -0.130 19752 460 1 1 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.729 0.082 19752 461 1 1 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.189 2.087 19752 462 1 1 . 1 1 85 85 TYR H H 85 8.840 8.840 8.010 0.830 19752 463 1 1 . 1 1 86 86 ASP N N 86 115.086 115.086 116.833 -1.747 19752 464 1 1 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.869 0.599 19752 465 1 1 . 1 1 86 86 ASP C C 86 177.943 177.943 175.832 2.111 19752 466 1 1 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.221 -0.018 19752 467 1 1 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.258 0.317 19752 468 1 1 . 1 1 86 86 ASP H H 86 8.843 8.843 8.547 0.296 19752 469 1 1 . 1 1 87 87 GLU N N 87 124.208 124.208 121.174 3.034 19752 470 1 1 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.233 -0.118 19752 471 1 1 . 1 1 87 87 GLU C C 87 173.613 173.613 174.313 -0.700 19752 472 1 1 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.559 0.213 19752 473 1 1 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.037 2.470 19752 474 1 1 . 1 1 87 87 GLU H H 87 8.121 8.121 7.850 0.271 19752 475 1 1 . 1 1 88 88 VAL N N 88 121.754 121.754 127.437 -5.683 19752 476 1 1 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.648 1.066 19752 477 1 1 . 1 1 88 88 VAL C C 88 175.480 175.480 174.861 0.619 19752 478 1 1 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.593 -1.823 19752 479 1 1 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.435 2.209 19752 480 1 1 . 1 1 88 88 VAL H H 88 8.822 8.822 9.027 -0.205 19752 481 1 1 . 1 1 89 89 CYS N N 89 118.234 118.234 125.012 -6.778 19752 482 1 1 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.224 0.075 19752 483 1 1 . 1 1 89 89 CYS C C 89 174.126 174.126 173.648 0.478 19752 484 1 1 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.439 0.646 19752 485 1 1 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.873 1.231 19752 486 1 1 . 1 1 89 89 CYS H H 89 9.404 9.404 9.672 -0.268 19752 487 1 1 . 1 1 90 90 ILE N N 90 122.085 122.085 122.347 -0.262 19752 488 1 1 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.605 0.628 19752 489 1 1 . 1 1 90 90 ILE C C 90 176.210 176.210 174.603 1.607 19752 490 1 1 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.813 0.746 19752 491 1 1 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.406 2.083 19752 492 1 1 . 1 1 90 90 ILE H H 90 9.773 9.773 9.392 0.381 19752 493 1 1 . 1 1 91 91 GLN N N 91 125.884 125.884 128.620 -2.736 19752 494 1 1 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.744 -0.125 19752 495 1 1 . 1 1 91 91 GLN C C 91 176.019 176.019 174.294 1.725 19752 496 1 1 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.627 1.595 19752 497 1 1 . 1 1 91 91 GLN CB C 91 31.193 31.193 30.767 0.426 19752 498 1 1 . 1 1 91 91 GLN H H 91 8.910 8.910 8.511 0.399 19752 499 1 1 . 1 1 92 92 ALA N N 92 131.300 131.300 131.275 0.025 19752 500 1 1 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.093 0.431 19752 501 1 1 . 1 1 92 92 ALA C C 92 178.514 178.514 177.157 1.357 19752 502 1 1 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.790 -0.324 19752 503 1 1 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.635 -0.366 19752 504 1 1 . 1 1 92 92 ALA H H 92 9.888 9.888 9.129 0.759 19752 505 1 1 . 1 1 93 93 GLY N N 93 107.622 107.622 112.374 -4.752 19752 506 1 1 . 1 1 93 93 GLY C C 93 174.796 174.796 173.556 1.240 19752 507 1 1 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.177 1.293 19752 508 1 1 . 1 1 93 93 GLY H H 93 9.675 9.675 8.473 1.202 19752 509 1 1 . 1 1 94 94 HIS N N 94 118.233 118.233 119.500 -1.267 19752 510 1 1 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.251 -0.425 19752 511 1 1 . 1 1 94 94 HIS C C 94 173.575 173.575 172.830 0.745 19752 512 1 1 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.590 0.630 19752 513 1 1 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.327 -2.594 19752 514 1 1 . 1 1 94 94 HIS H H 94 8.337 8.337 8.563 -0.226 19752 515 1 1 . 1 1 95 95 ILE N N 95 118.964 118.964 120.676 -1.712 19752 516 1 1 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.581 0.630 19752 517 1 1 . 1 1 95 95 ILE C C 95 174.555 174.555 173.734 0.821 19752 518 1 1 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.895 1.087 19752 519 1 1 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.690 -1.907 19752 520 1 1 . 1 1 95 95 ILE H H 95 8.116 8.116 8.126 -0.010 19752 521 1 1 . 1 1 96 96 TRP N N 96 127.092 127.092 128.475 -1.383 19752 522 1 1 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.688 -0.211 19752 523 1 1 . 1 1 96 96 TRP C C 96 176.216 176.216 176.669 -0.453 19752 524 1 1 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.950 -0.707 19752 525 1 1 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.997 -0.229 19752 526 1 1 . 1 1 96 96 TRP H H 96 9.869 9.869 9.313 0.556 19752 527 1 1 . 1 1 97 97 ILE N N 97 113.283 113.283 120.347 -7.064 19752 528 1 1 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.124 0.348 19752 529 1 1 . 1 1 97 97 ILE C C 97 175.278 175.278 175.264 0.014 19752 530 1 1 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.083 0.101 19752 531 1 1 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.292 0.357 19752 532 1 1 . 1 1 97 97 ILE H H 97 8.893 8.893 9.019 -0.126 19752 533 1 1 . 1 1 98 98 GLY N N 98 109.684 109.684 113.640 -3.956 19752 534 1 1 . 1 1 98 98 GLY C C 98 172.048 172.048 172.376 -0.328 19752 535 1 1 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.598 1.522 19752 536 1 1 . 1 1 98 98 GLY H H 98 9.043 9.043 9.093 -0.050 19752 537 1 1 . 1 1 99 99 TYR N N 99 117.809 117.809 121.717 -3.908 19752 538 1 1 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.176 -0.268 19752 539 1 1 . 1 1 99 99 TYR C C 99 172.626 172.626 173.213 -0.587 19752 540 1 1 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.017 1.242 19752 541 1 1 . 1 1 99 99 TYR CB C 99 40.147 40.147 41.194 -1.047 19752 542 1 1 . 1 1 99 99 TYR H H 99 8.434 8.434 8.662 -0.228 19752 543 1 1 . 1 1 100 100 ASN N N 100 117.139 117.139 118.758 -1.619 19752 544 1 1 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.467 -0.181 19752 545 1 1 . 1 1 100 100 ASN C C 100 175.315 175.315 174.299 1.016 19752 546 1 1 . 1 1 100 100 ASN CA C 100 51.986 51.986 50.957 1.029 19752 547 1 1 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.236 -0.861 19752 548 1 1 . 1 1 100 100 ASN H H 100 8.844 8.844 8.523 0.321 19752 549 1 1 . 1 1 101 101 ALA N N 101 126.218 126.218 125.293 0.925 19752 550 1 1 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.785 -0.148 19752 551 1 1 . 1 1 101 101 ALA C C 101 179.095 179.095 178.017 1.078 19752 552 1 1 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.610 0.602 19752 553 1 1 . 1 1 101 101 ALA CB C 101 20.642 20.642 19.944 0.699 19752 554 1 1 . 1 1 101 101 ALA H H 101 8.870 8.870 8.500 0.370 19752 555 1 1 . 1 1 102 102 TYR N N 102 121.067 121.067 117.255 3.812 19752 556 1 1 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.332 0.007 19752 557 1 1 . 1 1 102 102 TYR C C 102 175.986 175.986 176.317 -0.331 19752 558 1 1 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.035 0.110 19752 559 1 1 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.943 -0.290 19752 560 1 1 . 1 1 102 102 TYR H H 102 8.720 8.720 8.668 0.052 19752 561 1 1 . 1 1 103 103 ASN N N 103 115.289 115.289 118.964 -3.675 19752 562 1 1 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.600 -0.188 19752 563 1 1 . 1 1 103 103 ASN C C 103 175.963 175.963 176.296 -0.333 19752 564 1 1 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.669 -0.423 19752 565 1 1 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.886 -1.641 19752 566 1 1 . 1 1 103 103 ASN H H 103 7.490 7.490 7.809 -0.319 19752 567 1 1 . 1 1 104 104 GLY N N 104 107.204 107.204 107.258 -0.054 19752 568 1 1 . 1 1 104 104 GLY C C 104 174.620 174.620 173.362 1.258 19752 569 1 1 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.334 -0.206 19752 570 1 1 . 1 1 104 104 GLY H H 104 8.020 8.020 8.277 -0.257 19752 571 1 1 . 1 1 105 105 ASN N N 105 118.581 118.581 116.432 2.149 19752 572 1 1 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.622 -0.046 19752 573 1 1 . 1 1 105 105 ASN C C 105 173.805 173.805 174.105 -0.300 19752 574 1 1 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.792 1.238 19752 575 1 1 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.067 -0.083 19752 576 1 1 . 1 1 105 105 ASN H H 105 7.703 7.703 7.684 0.019 19752 577 1 1 . 1 1 106 106 ARG N N 106 123.191 123.191 122.012 1.179 19752 578 1 1 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.691 -0.127 19752 579 1 1 . 1 1 106 106 ARG C C 106 174.360 174.360 175.152 -0.792 19752 580 1 1 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.290 -0.628 19752 581 1 1 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.259 0.347 19752 582 1 1 . 1 1 106 106 ARG H H 106 8.635 8.635 8.583 0.052 19752 583 1 1 . 1 1 107 107 VAL N N 107 128.482 128.482 126.253 2.229 19752 584 1 1 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.551 0.002 19752 585 1 1 . 1 1 107 107 VAL C C 107 172.290 172.290 173.766 -1.476 19752 586 1 1 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.839 -0.155 19752 587 1 1 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.874 0.603 19752 588 1 1 . 1 1 107 107 VAL H H 107 8.668 8.668 8.751 -0.083 19752 589 1 1 . 1 1 108 108 TYR N N 108 119.055 119.055 124.377 -5.322 19752 590 1 1 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.695 -0.202 19752 591 1 1 . 1 1 108 108 TYR C C 108 175.215 175.215 175.083 0.132 19752 592 1 1 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.084 0.488 19752 593 1 1 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.931 0.504 19752 594 1 1 . 1 1 108 108 TYR H H 108 8.944 8.944 9.347 -0.403 19752 595 1 1 . 1 1 109 109 CYS N N 109 124.377 124.377 121.740 2.637 19752 596 1 1 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.068 0.377 19752 597 1 1 . 1 1 109 109 CYS C C 109 171.899 171.899 173.375 -1.476 19752 598 1 1 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.335 -1.170 19752 599 1 1 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.239 -1.436 19752 600 1 1 . 1 1 109 109 CYS H H 109 9.675 9.675 8.988 0.687 19752 601 1 1 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.064 1.115 19752 602 1 1 . 1 1 110 110 PRO C C 110 175.490 175.490 176.931 -1.441 19752 603 1 1 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.786 -1.188 19752 604 1 1 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.860 -1.404 19752 605 1 1 . 1 1 111 111 VAL N N 111 109.293 109.293 112.225 -2.932 19752 606 1 1 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.466 0.943 19752 607 1 1 . 1 1 111 111 VAL C C 111 173.598 173.598 174.517 -0.919 19752 608 1 1 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.057 -3.964 19752 609 1 1 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.183 3.338 19752 610 1 1 . 1 1 111 111 VAL H H 111 8.382 8.382 7.366 1.016 19752 611 1 1 . 1 1 112 112 ARG N N 112 110.825 110.825 115.051 -4.226 19752 612 1 1 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.761 -1.603 19752 613 1 1 . 1 1 112 112 ARG C C 112 175.480 175.480 175.225 0.255 19752 614 1 1 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.964 0.485 19752 615 1 1 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.326 -1.180 19752 616 1 1 . 1 1 112 112 ARG H H 112 6.735 6.735 7.942 -1.207 19752 617 1 1 . 1 1 113 113 THR N N 113 111.002 111.002 118.158 -7.156 19752 618 1 1 . 1 1 113 113 THR HA H 113 4.238 4.238 4.575 -0.337 19752 619 1 1 . 1 1 113 113 THR C C 113 174.123 174.123 174.193 -0.070 19752 620 1 1 . 1 1 113 113 THR CA C 113 62.468 62.468 64.872 -2.404 19752 621 1 1 . 1 1 113 113 THR CB C 113 70.502 70.502 69.108 1.394 19752 622 1 1 . 1 1 113 113 THR H H 113 8.898 8.898 7.984 0.914 19752 623 1 1 . 1 1 114 114 CYS N N 114 119.522 119.522 124.996 -5.474 19752 624 1 1 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.399 -0.884 19752 625 1 1 . 1 1 114 114 CYS C C 114 172.669 172.669 173.111 -0.442 19752 626 1 1 . 1 1 114 114 CYS CA C 114 59.617 59.617 58.002 1.615 19752 627 1 1 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.569 -2.024 19752 628 1 1 . 1 1 114 114 CYS H H 114 7.936 7.936 8.201 -0.265 19752 629 1 1 . 1 1 115 115 GLN N N 115 129.342 129.342 121.416 7.926 19752 630 1 1 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.841 -0.213 19752 631 1 1 . 1 1 115 115 GLN C C 115 175.456 175.456 175.623 -0.167 19752 632 1 1 . 1 1 115 115 GLN CA C 115 54.242 54.242 53.828 0.414 19752 633 1 1 . 1 1 115 115 GLN CB C 115 31.176 31.176 32.506 -1.330 19752 634 1 1 . 1 1 115 115 GLN H H 115 7.963 7.963 9.039 -1.076 19752 635 1 1 . 1 1 116 116 GLY N N 116 112.311 112.311 107.879 4.432 19752 636 1 1 . 1 1 116 116 GLY C C 116 171.907 171.907 172.318 -0.411 19752 637 1 1 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.752 -0.535 19752 638 1 1 . 1 1 116 116 GLY H H 116 8.591 8.591 8.301 0.290 19752 639 1 1 . 1 1 117 117 VAL N N 117 110.113 110.113 114.219 -4.106 19752 640 1 1 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.506 -0.368 19752 641 1 1 . 1 1 117 117 VAL C C 117 171.857 171.857 173.078 -1.221 19752 642 1 1 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.895 0.062 19752 643 1 1 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.562 -2.013 19752 644 1 1 . 1 1 117 117 VAL H H 117 7.745 7.745 7.664 0.081 19752 645 1 1 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.846 0.650 19752 646 1 1 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.232 -0.742 19752 647 1 1 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.804 -1.044 19752 648 1 1 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.220 0.156 19752 649 1 1 . 1 1 119 119 PRO C C 119 176.006 176.006 176.118 -0.112 19752 650 1 1 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.578 0.578 19752 651 1 1 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.874 1.161 19752 652 1 1 . 1 1 120 120 ASN N N 120 124.472 124.472 119.031 5.441 19752 653 1 1 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.587 0.317 19752 654 1 1 . 1 1 120 120 ASN C C 120 172.963 172.963 173.973 -1.010 19752 655 1 1 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.712 0.403 19752 656 1 1 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.174 1.053 19752 657 1 1 . 1 1 120 120 ASN H H 120 8.414 8.414 7.837 0.577 19752 658 1 1 . 1 1 121 121 HIS N N 121 120.276 120.276 119.395 0.881 19752 659 1 1 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.177 -0.750 19752 660 1 1 . 1 1 121 121 HIS C C 121 174.788 174.788 174.549 0.239 19752 661 1 1 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.653 2.047 19752 662 1 1 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.824 -0.116 19752 663 1 1 . 1 1 121 121 HIS H H 121 8.591 8.591 7.623 0.968 19752 664 1 1 . 1 1 122 122 ILE N N 122 120.474 120.474 125.242 -4.768 19752 665 1 1 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.431 -0.086 19752 666 1 1 . 1 1 122 122 ILE C C 122 174.718 174.718 174.286 0.432 19752 667 1 1 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.648 -0.518 19752 668 1 1 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.995 1.775 19752 669 1 1 . 1 1 122 122 ILE H H 122 8.883 8.883 9.105 -0.222 19752 670 1 1 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.391 -0.895 19752 671 1 1 . 1 1 123 123 PRO C C 123 177.104 177.104 176.408 0.696 19752 672 1 1 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.823 0.784 19752 673 1 1 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.617 -0.088 19752 674 1 1 . 1 1 124 124 GLY N N 124 111.030 111.030 107.445 3.585 19752 675 1 1 . 1 1 124 124 GLY C C 124 173.906 173.906 173.162 0.744 19752 676 1 1 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.775 -1.658 19752 677 1 1 . 1 1 124 124 GLY H H 124 8.553 8.553 8.319 0.234 19752 678 1 1 . 1 1 125 125 VAL N N 125 121.916 121.916 123.162 -1.246 19752 679 1 1 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.844 0.076 19752 680 1 1 . 1 1 125 125 VAL C C 125 176.148 176.148 174.721 1.427 19752 681 1 1 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.322 1.316 19752 682 1 1 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.151 -0.034 19752 683 1 1 . 1 1 125 125 VAL H H 125 8.493 8.493 7.993 0.500 19752 684 1 1 . 1 1 126 126 ALA N N 126 127.872 127.872 129.522 -1.650 19752 685 1 1 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.424 0.066 19752 686 1 1 . 1 1 126 126 ALA C C 126 179.447 179.447 176.593 2.854 19752 687 1 1 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.872 1.797 19752 688 1 1 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.870 -0.242 19752 689 1 1 . 1 1 126 126 ALA H H 126 8.835 8.835 8.196 0.639 19752 690 1 1 . 1 1 127 127 TRP N N 127 121.928 121.928 122.576 -0.648 19752 691 1 1 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.871 0.242 19752 692 1 1 . 1 1 127 127 TRP C C 127 174.684 174.684 175.026 -0.342 19752 693 1 1 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.842 -0.213 19752 694 1 1 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.642 -2.488 19752 695 1 1 . 1 1 127 127 TRP H H 127 8.555 8.555 9.042 -0.487 19752 696 1 1 . 1 1 128 128 GLY N N 128 103.981 103.981 105.968 -1.987 19752 697 1 1 . 1 1 128 128 GLY C C 128 171.694 171.694 172.677 -0.983 19752 698 1 1 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.951 0.738 19752 699 1 1 . 1 1 128 128 GLY H H 128 7.280 7.280 7.622 -0.342 19752 700 1 1 . 1 1 129 129 VAL N N 129 119.078 119.078 121.654 -2.576 19752 701 1 1 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.428 -0.085 19752 702 1 1 . 1 1 129 129 VAL C C 129 173.255 173.255 174.554 -1.299 19752 703 1 1 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.251 0.410 19752 704 1 1 . 1 1 129 129 VAL CB C 129 35.551 35.551 32.615 2.936 19752 705 1 1 . 1 1 129 129 VAL H H 129 8.274 8.274 8.001 0.273 19752 706 1 1 . 1 1 130 130 PHE N N 130 122.633 122.633 127.977 -5.344 19752 707 1 1 . 1 1 130 130 PHE HA H 130 5.544 5.544 4.821 0.723 19752 708 1 1 . 1 1 130 130 PHE C C 130 175.771 175.771 175.742 0.029 19752 709 1 1 . 1 1 130 130 PHE CA C 130 57.176 57.176 58.987 -1.811 19752 710 1 1 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.224 0.446 19752 711 1 1 . 1 1 130 130 PHE H H 130 8.464 8.464 8.851 -0.387 19752 712 1 2 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.935 -0.169 19752 713 1 2 . 1 1 2 2 ASN C C 2 174.930 174.930 173.332 1.598 19752 714 1 2 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.077 0.133 19752 715 1 2 . 1 1 2 2 ASN CB C 2 39.213 39.213 40.249 -1.036 19752 716 1 2 . 1 1 3 3 ALA N N 3 124.643 124.643 122.954 1.689 19752 717 1 2 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.481 -0.217 19752 718 1 2 . 1 1 3 3 ALA C C 3 177.790 177.790 176.404 1.386 19752 719 1 2 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.979 0.858 19752 720 1 2 . 1 1 3 3 ALA CB C 3 19.240 19.240 20.261 -1.021 19752 721 1 2 . 1 1 3 3 ALA H H 3 8.386 8.386 8.456 -0.070 19752 722 1 2 . 1 1 4 4 LYS N N 4 120.203 120.203 123.074 -2.871 19752 723 1 2 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.327 -0.104 19752 724 1 2 . 1 1 4 4 LYS C C 4 176.230 176.230 175.760 0.470 19752 725 1 2 . 1 1 4 4 LYS CA C 4 56.534 56.534 55.383 1.151 19752 726 1 2 . 1 1 4 4 LYS CB C 4 32.811 32.811 31.910 0.901 19752 727 1 2 . 1 1 4 4 LYS H H 4 8.300 8.300 8.468 -0.168 19752 728 1 2 . 1 1 5 5 ASN N N 5 119.229 119.229 122.800 -3.571 19752 729 1 2 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.853 -0.185 19752 730 1 2 . 1 1 5 5 ASN C C 5 175.033 175.033 173.995 1.038 19752 731 1 2 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.797 0.328 19752 732 1 2 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.092 -0.315 19752 733 1 2 . 1 1 5 5 ASN H H 5 8.320 8.320 8.248 0.072 19752 734 1 2 . 1 1 6 6 TYR N N 6 120.593 120.593 122.536 -1.943 19752 735 1 2 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.749 -0.239 19752 736 1 2 . 1 1 6 6 TYR C C 6 175.554 175.554 177.358 -1.804 19752 737 1 2 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.476 0.737 19752 738 1 2 . 1 1 6 6 TYR CB C 6 38.601 38.601 40.935 -2.334 19752 739 1 2 . 1 1 6 6 TYR H H 6 8.087 8.087 8.319 -0.232 19752 740 1 2 . 1 1 7 7 MET N N 7 121.477 121.477 118.659 2.818 19752 741 1 2 . 1 1 7 7 MET HA H 7 4.391 4.391 4.042 0.349 19752 742 1 2 . 1 1 7 7 MET C C 7 175.609 175.609 175.295 0.314 19752 743 1 2 . 1 1 7 7 MET CA C 7 55.494 55.494 56.907 -1.413 19752 744 1 2 . 1 1 7 7 MET CB C 7 32.970 32.970 31.918 1.052 19752 745 1 2 . 1 1 7 7 MET H H 7 8.121 8.121 8.761 -0.640 19752 746 1 2 . 1 1 8 8 ASP N N 8 121.704 121.704 120.713 0.991 19752 747 1 2 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.606 -0.051 19752 748 1 2 . 1 1 8 8 ASP C C 8 176.344 176.344 176.988 -0.644 19752 749 1 2 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.214 0.258 19752 750 1 2 . 1 1 8 8 ASP CB C 8 41.322 41.322 42.106 -0.784 19752 751 1 2 . 1 1 8 8 ASP H H 8 8.189 8.189 8.005 0.184 19752 752 1 2 . 1 1 9 9 LYS N N 9 122.168 122.168 122.214 -0.046 19752 753 1 2 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.042 0.265 19752 754 1 2 . 1 1 9 9 LYS C C 9 177.267 177.267 177.595 -0.328 19752 755 1 2 . 1 1 9 9 LYS CA C 9 56.622 56.622 57.439 -0.817 19752 756 1 2 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.165 0.600 19752 757 1 2 . 1 1 9 9 LYS H H 9 8.335 8.335 8.611 -0.276 19752 758 1 2 . 1 1 10 10 GLY N N 10 109.505 109.505 109.756 -0.251 19752 759 1 2 . 1 1 10 10 GLY C C 10 174.568 174.568 174.451 0.117 19752 760 1 2 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.795 -0.212 19752 761 1 2 . 1 1 10 10 GLY H H 10 8.497 8.497 8.867 -0.370 19752 762 1 2 . 1 1 11 11 THR N N 11 113.312 113.312 117.006 -3.694 19752 763 1 2 . 1 1 11 11 THR HA H 11 4.396 4.396 4.169 0.227 19752 764 1 2 . 1 1 11 11 THR C C 11 174.719 174.719 174.270 0.449 19752 765 1 2 . 1 1 11 11 THR CA C 11 61.779 61.779 62.860 -1.081 19752 766 1 2 . 1 1 11 11 THR CB C 11 69.963 69.963 68.573 1.390 19752 767 1 2 . 1 1 11 11 THR H H 11 8.081 8.081 8.233 -0.152 19752 768 1 2 . 1 1 12 12 SER N N 12 118.272 118.272 122.332 -4.060 19752 769 1 2 . 1 1 12 12 SER HA H 12 4.499 4.499 4.723 -0.224 19752 770 1 2 . 1 1 12 12 SER C C 12 174.766 174.766 174.200 0.566 19752 771 1 2 . 1 1 12 12 SER CA C 12 58.432 58.432 58.139 0.292 19752 772 1 2 . 1 1 12 12 SER CB C 12 63.986 63.986 64.427 -0.441 19752 773 1 2 . 1 1 12 12 SER H H 12 8.413 8.413 8.283 0.130 19752 774 1 2 . 1 1 13 13 SER N N 13 118.106 118.106 118.239 -0.133 19752 775 1 2 . 1 1 13 13 SER HA H 13 4.518 4.518 4.356 0.162 19752 776 1 2 . 1 1 13 13 SER C C 13 174.674 174.674 175.706 -1.032 19752 777 1 2 . 1 1 13 13 SER CA C 13 58.607 58.607 59.739 -1.132 19752 778 1 2 . 1 1 13 13 SER CB C 13 63.869 63.869 63.361 0.507 19752 779 1 2 . 1 1 13 13 SER H H 13 8.414 8.414 8.477 -0.063 19752 780 1 2 . 1 1 14 14 SER N N 14 117.724 117.724 115.835 1.889 19752 781 1 2 . 1 1 14 14 SER HA H 14 4.535 4.535 4.479 0.056 19752 782 1 2 . 1 1 14 14 SER C C 14 174.743 174.743 174.617 0.126 19752 783 1 2 . 1 1 14 14 SER CA C 14 58.630 58.630 59.688 -1.058 19752 784 1 2 . 1 1 14 14 SER CB C 14 63.798 63.798 63.215 0.583 19752 785 1 2 . 1 1 14 14 SER H H 14 8.379 8.379 8.161 0.218 19752 786 1 2 . 1 1 15 15 THR N N 15 116.549 116.549 116.536 0.013 19752 787 1 2 . 1 1 15 15 THR HA H 15 4.336 4.336 4.391 -0.055 19752 788 1 2 . 1 1 15 15 THR C C 15 174.310 174.310 174.168 0.142 19752 789 1 2 . 1 1 15 15 THR CA C 15 62.161 62.161 62.015 0.146 19752 790 1 2 . 1 1 15 15 THR CB C 15 69.603 69.603 68.766 0.837 19752 791 1 2 . 1 1 15 15 THR H H 15 8.195 8.195 7.668 0.527 19752 792 1 2 . 1 1 16 16 VAL N N 16 123.406 123.406 117.101 6.305 19752 793 1 2 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.200 -0.098 19752 794 1 2 . 1 1 16 16 VAL C C 16 175.934 175.934 175.686 0.248 19752 795 1 2 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.180 0.332 19752 796 1 2 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.669 0.069 19752 797 1 2 . 1 1 16 16 VAL H H 16 8.121 8.121 7.426 0.695 19752 798 1 2 . 1 1 17 17 VAL N N 17 125.445 125.445 118.170 7.275 19752 799 1 2 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.823 0.262 19752 800 1 2 . 1 1 17 17 VAL C C 17 176.102 176.102 176.011 0.091 19752 801 1 2 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.256 -0.977 19752 802 1 2 . 1 1 17 17 VAL CB C 17 32.677 32.677 30.606 2.071 19752 803 1 2 . 1 1 17 17 VAL H H 17 8.293 8.293 8.607 -0.314 19752 804 1 2 . 1 1 18 18 LYS N N 18 126.281 126.281 119.808 6.473 19752 805 1 2 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.152 0.190 19752 806 1 2 . 1 1 18 18 LYS C C 18 176.138 176.138 176.596 -0.458 19752 807 1 2 . 1 1 18 18 LYS CA C 18 56.205 56.205 57.320 -1.115 19752 808 1 2 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.821 0.325 19752 809 1 2 . 1 1 18 18 LYS H H 18 8.478 8.478 8.214 0.264 19752 810 1 2 . 1 1 19 19 ASP N N 19 121.904 121.904 116.591 5.313 19752 811 1 2 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.627 -0.063 19752 812 1 2 . 1 1 19 19 ASP C C 19 176.698 176.698 176.128 0.570 19752 813 1 2 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.090 0.295 19752 814 1 2 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.213 -0.990 19752 815 1 2 . 1 1 19 19 ASP H H 19 8.379 8.379 7.853 0.526 19752 816 1 2 . 1 1 20 20 GLY N N 20 109.177 109.177 106.952 2.225 19752 817 1 2 . 1 1 20 20 GLY C C 20 174.374 174.374 173.585 0.789 19752 818 1 2 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.492 0.146 19752 819 1 2 . 1 1 20 20 GLY H H 20 8.390 8.390 8.645 -0.255 19752 820 1 2 . 1 1 21 21 LYS N N 21 120.814 120.814 123.957 -3.143 19752 821 1 2 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.430 -0.041 19752 822 1 2 . 1 1 21 21 LYS C C 21 177.041 177.041 176.283 0.758 19752 823 1 2 . 1 1 21 21 LYS CA C 21 56.576 56.576 55.126 1.450 19752 824 1 2 . 1 1 21 21 LYS CB C 21 33.090 33.090 31.712 1.378 19752 825 1 2 . 1 1 21 21 LYS H H 21 8.229 8.229 8.033 0.196 19752 826 1 2 . 1 1 22 22 THR N N 22 115.105 115.105 117.307 -2.202 19752 827 1 2 . 1 1 22 22 THR HA H 22 4.393 4.393 4.010 0.383 19752 828 1 2 . 1 1 22 22 THR C C 22 174.607 174.607 173.576 1.031 19752 829 1 2 . 1 1 22 22 THR CA C 22 61.880 61.880 62.883 -1.003 19752 830 1 2 . 1 1 22 22 THR CB C 22 69.736 69.736 67.370 2.366 19752 831 1 2 . 1 1 22 22 THR H H 22 8.237 8.237 8.515 -0.278 19752 832 1 2 . 1 1 24 24 SER HA H 24 4.486 4.486 4.103 0.383 19752 833 1 2 . 1 1 24 24 SER C C 24 174.299 174.299 175.250 -0.951 19752 834 1 2 . 1 1 24 24 SER CA C 24 58.547 58.547 58.952 -0.405 19752 835 1 2 . 1 1 24 24 SER CB C 24 63.787 63.787 62.534 1.253 19752 836 1 2 . 1 1 25 25 ALA N N 25 125.891 125.891 123.685 2.206 19752 837 1 2 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.056 0.321 19752 838 1 2 . 1 1 25 25 ALA C C 25 177.660 177.660 177.890 -0.230 19752 839 1 2 . 1 1 25 25 ALA CA C 25 52.629 52.629 54.440 -1.810 19752 840 1 2 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.102 0.189 19752 841 1 2 . 1 1 25 25 ALA H H 25 8.328 8.328 7.614 0.714 19752 842 1 2 . 1 1 26 26 SER N N 26 115.155 115.155 115.170 -0.015 19752 843 1 2 . 1 1 26 26 SER HA H 26 4.486 4.486 4.656 -0.170 19752 844 1 2 . 1 1 26 26 SER C C 26 174.291 174.291 173.463 0.828 19752 845 1 2 . 1 1 26 26 SER CA C 26 58.237 58.237 57.149 1.088 19752 846 1 2 . 1 1 26 26 SER CB C 26 63.917 63.917 62.803 1.114 19752 847 1 2 . 1 1 26 26 SER H H 26 8.267 8.267 8.268 -0.001 19752 848 1 2 . 1 1 27 27 THR N N 27 118.324 118.324 122.507 -4.183 19752 849 1 2 . 1 1 27 27 THR HA H 27 4.627 4.627 4.511 0.116 19752 850 1 2 . 1 1 27 27 THR C C 27 172.782 172.782 173.094 -0.312 19752 851 1 2 . 1 1 27 27 THR CA C 27 59.748 59.748 61.404 -1.656 19752 852 1 2 . 1 1 27 27 THR CB C 27 69.702 69.702 68.949 0.753 19752 853 1 2 . 1 1 27 27 THR H H 27 8.164 8.164 8.229 -0.065 19752 854 1 2 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.404 -0.001 19752 855 1 2 . 1 1 28 28 PRO C C 28 176.630 176.630 175.412 1.218 19752 856 1 2 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.050 0.200 19752 857 1 2 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.951 1.214 19752 858 1 2 . 1 1 29 29 ALA N N 29 124.263 124.263 125.735 -1.472 19752 859 1 2 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.476 -0.127 19752 860 1 2 . 1 1 29 29 ALA C C 29 177.974 177.974 178.131 -0.157 19752 861 1 2 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.653 -0.998 19752 862 1 2 . 1 1 29 29 ALA CB C 29 19.277 19.277 20.386 -1.109 19752 863 1 2 . 1 1 29 29 ALA H H 29 8.432 8.432 7.970 0.462 19752 864 1 2 . 1 1 30 30 THR N N 30 113.368 113.368 114.932 -1.564 19752 865 1 2 . 1 1 30 30 THR HA H 30 4.281 4.281 4.315 -0.034 19752 866 1 2 . 1 1 30 30 THR C C 30 174.257 174.257 175.691 -1.434 19752 867 1 2 . 1 1 30 30 THR CA C 30 61.656 61.656 64.629 -2.973 19752 868 1 2 . 1 1 30 30 THR CB C 30 69.801 69.801 69.238 0.563 19752 869 1 2 . 1 1 30 30 THR H H 30 8.106 8.106 8.373 -0.267 19752 870 1 2 . 1 1 31 31 ARG N N 31 124.700 124.700 121.135 3.565 19752 871 1 2 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.400 0.250 19752 872 1 2 . 1 1 31 31 ARG C C 31 174.094 174.094 174.874 -0.780 19752 873 1 2 . 1 1 31 31 ARG CA C 31 54.051 54.051 57.098 -3.047 19752 874 1 2 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.686 0.688 19752 875 1 2 . 1 1 31 31 ARG H H 31 8.318 8.318 8.369 -0.051 19752 876 1 2 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.405 0.094 19752 877 1 2 . 1 1 32 32 PRO C C 32 177.065 177.065 176.178 0.887 19752 878 1 2 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.885 0.175 19752 879 1 2 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.297 0.860 19752 880 1 2 . 1 1 33 33 VAL N N 33 120.890 120.890 121.819 -0.929 19752 881 1 2 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.218 -0.010 19752 882 1 2 . 1 1 33 33 VAL C C 33 176.668 176.668 176.024 0.644 19752 883 1 2 . 1 1 33 33 VAL CA C 33 62.608 62.608 61.947 0.661 19752 884 1 2 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.876 -0.129 19752 885 1 2 . 1 1 33 33 VAL H H 33 8.447 8.447 7.801 0.646 19752 886 1 2 . 1 1 34 34 THR N N 34 116.709 116.709 121.021 -4.312 19752 887 1 2 . 1 1 34 34 THR HA H 34 4.377 4.377 3.960 0.417 19752 888 1 2 . 1 1 34 34 THR C C 34 174.791 174.791 174.170 0.621 19752 889 1 2 . 1 1 34 34 THR CA C 34 61.700 61.700 62.945 -1.245 19752 890 1 2 . 1 1 34 34 THR CB C 34 69.697 69.697 68.722 0.975 19752 891 1 2 . 1 1 34 34 THR H H 34 8.221 8.221 8.414 -0.193 19752 892 1 2 . 1 1 35 35 GLY N N 35 111.182 111.182 112.750 -1.568 19752 893 1 2 . 1 1 35 35 GLY C C 35 173.940 173.940 175.266 -1.326 19752 894 1 2 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.905 -0.249 19752 895 1 2 . 1 1 35 35 GLY H H 35 8.376 8.376 8.650 -0.274 19752 896 1 2 . 1 1 36 36 SER N N 36 116.779 116.779 117.226 -0.447 19752 897 1 2 . 1 1 36 36 SER HA H 36 4.456 4.456 4.147 0.309 19752 898 1 2 . 1 1 36 36 SER C C 36 173.880 173.880 174.567 -0.687 19752 899 1 2 . 1 1 36 36 SER CA C 36 58.255 58.255 60.368 -2.113 19752 900 1 2 . 1 1 36 36 SER CB C 36 64.195 64.195 63.621 0.574 19752 901 1 2 . 1 1 36 36 SER H H 36 8.456 8.456 8.503 -0.047 19752 902 1 2 . 1 1 37 37 TRP N N 37 121.744 121.744 121.102 0.642 19752 903 1 2 . 1 1 37 37 TRP HA H 37 4.528 4.528 5.120 -0.592 19752 904 1 2 . 1 1 37 37 TRP C C 37 176.500 176.500 175.860 0.640 19752 905 1 2 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.998 1.092 19752 906 1 2 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.834 0.173 19752 907 1 2 . 1 1 37 37 TRP H H 37 8.171 8.171 7.602 0.569 19752 908 1 2 . 1 1 38 38 LYS N N 38 123.158 123.158 121.336 1.822 19752 909 1 2 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.774 -0.148 19752 910 1 2 . 1 1 38 38 LYS C C 38 172.839 172.839 174.888 -2.049 19752 911 1 2 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.176 0.980 19752 912 1 2 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.462 1.194 19752 913 1 2 . 1 1 38 38 LYS H H 38 8.736 8.736 8.902 -0.166 19752 914 1 2 . 1 1 39 39 LYS N N 39 121.526 121.526 122.211 -0.685 19752 915 1 2 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.574 0.166 19752 916 1 2 . 1 1 39 39 LYS C C 39 177.510 177.510 175.757 1.753 19752 917 1 2 . 1 1 39 39 LYS CA C 39 54.316 54.316 54.681 -0.365 19752 918 1 2 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.811 -0.454 19752 919 1 2 . 1 1 39 39 LYS H H 39 8.123 8.123 8.549 -0.426 19752 920 1 2 . 1 1 40 40 ASN N N 40 123.988 123.988 124.582 -0.594 19752 921 1 2 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.798 0.258 19752 922 1 2 . 1 1 40 40 ASN C C 40 177.524 177.524 176.641 0.883 19752 923 1 2 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.050 -1.210 19752 924 1 2 . 1 1 40 40 ASN CB C 40 39.156 39.156 39.130 0.026 19752 925 1 2 . 1 1 40 40 ASN H H 40 8.583 8.583 8.962 -0.379 19752 926 1 2 . 1 1 41 41 GLN N N 41 116.529 116.529 117.800 -1.271 19752 927 1 2 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.036 0.024 19752 928 1 2 . 1 1 41 41 GLN C C 41 175.829 175.829 175.967 -0.138 19752 929 1 2 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.805 -0.044 19752 930 1 2 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.330 -0.383 19752 931 1 2 . 1 1 41 41 GLN H H 41 8.856 8.856 8.622 0.234 19752 932 1 2 . 1 1 42 42 TYR N N 42 119.255 119.255 115.855 3.400 19752 933 1 2 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.479 0.172 19752 934 1 2 . 1 1 42 42 TYR C C 42 175.782 175.782 176.316 -0.534 19752 935 1 2 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.091 -0.971 19752 936 1 2 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.623 -0.505 19752 937 1 2 . 1 1 42 42 TYR H H 42 7.604 7.604 7.295 0.309 19752 938 1 2 . 1 1 43 43 GLY N N 43 106.354 106.354 107.072 -0.718 19752 939 1 2 . 1 1 43 43 GLY C C 43 173.297 173.297 174.611 -1.314 19752 940 1 2 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.013 0.150 19752 941 1 2 . 1 1 43 43 GLY H H 43 7.993 7.993 7.701 0.292 19752 942 1 2 . 1 1 44 44 THR N N 44 120.062 120.062 117.819 2.243 19752 943 1 2 . 1 1 44 44 THR HA H 44 4.176 4.176 4.563 -0.387 19752 944 1 2 . 1 1 44 44 THR C C 44 173.969 173.969 173.781 0.188 19752 945 1 2 . 1 1 44 44 THR CA C 44 62.132 62.132 63.408 -1.276 19752 946 1 2 . 1 1 44 44 THR CB C 44 68.989 68.989 70.090 -1.101 19752 947 1 2 . 1 1 44 44 THR H H 44 7.781 7.781 8.165 -0.384 19752 948 1 2 . 1 1 45 45 TRP N N 45 129.666 129.666 127.242 2.424 19752 949 1 2 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.424 0.252 19752 950 1 2 . 1 1 45 45 TRP C C 45 175.999 175.999 176.406 -0.407 19752 951 1 2 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.287 0.319 19752 952 1 2 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.253 0.388 19752 953 1 2 . 1 1 45 45 TRP H H 45 8.041 8.041 8.903 -0.862 19752 954 1 2 . 1 1 46 46 TYR N N 46 122.938 122.938 120.273 2.665 19752 955 1 2 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.066 0.272 19752 956 1 2 . 1 1 46 46 TYR C C 46 173.663 173.663 173.789 -0.126 19752 957 1 2 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.272 1.035 19752 958 1 2 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.018 2.107 19752 959 1 2 . 1 1 46 46 TYR H H 46 10.329 10.329 9.270 1.059 19752 960 1 2 . 1 1 47 47 LYS N N 47 118.986 118.986 118.270 0.716 19752 961 1 2 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.908 -0.137 19752 962 1 2 . 1 1 47 47 LYS C C 47 172.462 172.462 173.901 -1.439 19752 963 1 2 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.845 0.867 19752 964 1 2 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.659 -0.541 19752 965 1 2 . 1 1 47 47 LYS H H 47 8.923 8.923 9.428 -0.505 19752 966 1 2 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.955 -0.153 19752 967 1 2 . 1 1 48 48 PRO C C 48 176.747 176.747 175.952 0.795 19752 968 1 2 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.796 -0.131 19752 969 1 2 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.775 0.264 19752 970 1 2 . 1 1 49 49 GLU N N 49 125.285 125.285 125.195 0.090 19752 971 1 2 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.480 -0.492 19752 972 1 2 . 1 1 49 49 GLU C C 49 170.927 170.927 174.350 -3.423 19752 973 1 2 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.913 1.957 19752 974 1 2 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.342 0.888 19752 975 1 2 . 1 1 49 49 GLU H H 49 7.771 7.771 7.897 -0.126 19752 976 1 2 . 1 1 50 50 ASN N N 50 122.328 122.328 123.058 -0.730 19752 977 1 2 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.580 -0.182 19752 978 1 2 . 1 1 50 50 ASN C C 50 173.648 173.648 173.924 -0.276 19752 979 1 2 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.067 -0.381 19752 980 1 2 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.808 -0.162 19752 981 1 2 . 1 1 50 50 ASN H H 50 8.148 8.148 8.536 -0.388 19752 982 1 2 . 1 1 51 51 ALA N N 51 126.527 126.527 128.665 -2.138 19752 983 1 2 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.535 -0.082 19752 984 1 2 . 1 1 51 51 ALA C C 51 172.872 172.872 174.552 -1.680 19752 985 1 2 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.708 0.889 19752 986 1 2 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.754 -3.084 19752 987 1 2 . 1 1 51 51 ALA H H 51 7.085 7.085 7.927 -0.842 19752 988 1 2 . 1 1 52 52 THR N N 52 112.831 112.831 114.796 -1.965 19752 989 1 2 . 1 1 52 52 THR HA H 52 5.167 5.167 5.000 0.167 19752 990 1 2 . 1 1 52 52 THR C C 52 172.852 172.852 173.196 -0.344 19752 991 1 2 . 1 1 52 52 THR CA C 52 62.232 62.232 61.699 0.533 19752 992 1 2 . 1 1 52 52 THR CB C 52 71.068 71.068 70.548 0.520 19752 993 1 2 . 1 1 52 52 THR H H 52 8.036 8.036 8.547 -0.511 19752 994 1 2 . 1 1 53 53 PHE N N 53 127.883 127.883 126.107 1.776 19752 995 1 2 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.249 0.074 19752 996 1 2 . 1 1 53 53 PHE C C 53 172.928 172.928 172.899 0.029 19752 997 1 2 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.782 -0.507 19752 998 1 2 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.397 -0.192 19752 999 1 2 . 1 1 53 53 PHE H H 53 9.714 9.714 9.385 0.329 19752 1000 1 2 . 1 1 54 54 VAL N N 54 127.284 127.284 126.418 0.866 19752 1001 1 2 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.195 0.125 19752 1002 1 2 . 1 1 54 54 VAL C C 54 175.842 175.842 173.787 2.055 19752 1003 1 2 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.469 -0.317 19752 1004 1 2 . 1 1 54 54 VAL CB C 54 31.738 31.738 33.174 -1.436 19752 1005 1 2 . 1 1 54 54 VAL H H 54 8.583 8.583 8.599 -0.016 19752 1006 1 2 . 1 1 55 55 ASN N N 55 125.723 125.723 125.310 0.413 19752 1007 1 2 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.305 -0.145 19752 1008 1 2 . 1 1 55 55 ASN C C 55 176.333 176.333 175.394 0.939 19752 1009 1 2 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.004 0.585 19752 1010 1 2 . 1 1 55 55 ASN CB C 55 38.645 38.645 40.393 -1.748 19752 1011 1 2 . 1 1 55 55 ASN H H 55 8.970 8.970 8.280 0.690 19752 1012 1 2 . 1 1 56 56 GLY N N 56 114.389 114.389 110.186 4.203 19752 1013 1 2 . 1 1 56 56 GLY C C 56 173.882 173.882 174.729 -0.847 19752 1014 1 2 . 1 1 56 56 GLY CA C 56 44.676 44.676 44.861 -0.185 19752 1015 1 2 . 1 1 56 56 GLY H H 56 8.360 8.360 8.321 0.039 19752 1016 1 2 . 1 1 57 57 ASN N N 57 115.511 115.511 116.857 -1.346 19752 1017 1 2 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.634 -0.123 19752 1018 1 2 . 1 1 57 57 ASN C C 57 174.741 174.741 174.745 -0.004 19752 1019 1 2 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.637 0.576 19752 1020 1 2 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.329 0.300 19752 1021 1 2 . 1 1 57 57 ASN H H 57 8.149 8.149 8.661 -0.512 19752 1022 1 2 . 1 1 58 58 GLN N N 58 118.128 118.128 119.311 -1.183 19752 1023 1 2 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.862 0.098 19752 1024 1 2 . 1 1 58 58 GLN C C 58 172.603 172.603 173.174 -0.571 19752 1025 1 2 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.667 -0.034 19752 1026 1 2 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.049 1.519 19752 1027 1 2 . 1 1 58 58 GLN H H 58 7.702 7.702 7.700 0.002 19752 1028 1 2 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.846 0.094 19752 1029 1 2 . 1 1 59 59 PRO C C 59 176.506 176.506 176.251 0.255 19752 1030 1 2 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.589 -0.333 19752 1031 1 2 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.504 0.156 19752 1032 1 2 . 1 1 60 60 ILE N N 60 120.974 120.974 124.704 -3.730 19752 1033 1 2 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.190 0.084 19752 1034 1 2 . 1 1 60 60 ILE C C 60 175.190 175.190 175.153 0.037 19752 1035 1 2 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.337 0.350 19752 1036 1 2 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.254 1.491 19752 1037 1 2 . 1 1 60 60 ILE H H 60 8.126 8.126 8.658 -0.532 19752 1038 1 2 . 1 1 61 61 VAL N N 61 128.224 128.224 127.665 0.559 19752 1039 1 2 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.357 -0.244 19752 1040 1 2 . 1 1 61 61 VAL C C 61 175.973 175.973 175.787 0.186 19752 1041 1 2 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.750 2.526 19752 1042 1 2 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.454 -0.524 19752 1043 1 2 . 1 1 61 61 VAL H H 61 8.421 8.421 8.627 -0.206 19752 1044 1 2 . 1 1 62 62 THR N N 62 118.454 118.454 120.779 -2.325 19752 1045 1 2 . 1 1 62 62 THR HA H 62 5.021 5.021 4.897 0.124 19752 1046 1 2 . 1 1 62 62 THR C C 62 174.936 174.936 173.679 1.257 19752 1047 1 2 . 1 1 62 62 THR CA C 62 61.286 61.286 60.769 0.517 19752 1048 1 2 . 1 1 62 62 THR CB C 62 71.133 71.133 71.595 -0.462 19752 1049 1 2 . 1 1 62 62 THR H H 62 7.989 7.989 9.089 -1.100 19752 1050 1 2 . 1 1 63 63 ARG N N 63 118.225 118.225 118.550 -0.325 19752 1051 1 2 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.435 -0.006 19752 1052 1 2 . 1 1 63 63 ARG C C 63 175.607 175.607 175.074 0.533 19752 1053 1 2 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.401 -0.755 19752 1054 1 2 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.914 -0.311 19752 1055 1 2 . 1 1 63 63 ARG H H 63 9.336 9.336 9.098 0.238 19752 1056 1 2 . 1 1 64 64 ILE N N 64 119.746 119.746 120.900 -1.154 19752 1057 1 2 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.277 0.188 19752 1058 1 2 . 1 1 64 64 ILE C C 64 179.206 179.206 177.532 1.674 19752 1059 1 2 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.842 -0.653 19752 1060 1 2 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.796 -0.548 19752 1061 1 2 . 1 1 64 64 ILE H H 64 8.741 8.741 8.613 0.128 19752 1062 1 2 . 1 1 65 65 GLY N N 65 116.059 116.059 118.554 -2.495 19752 1063 1 2 . 1 1 65 65 GLY C C 65 174.185 174.185 174.179 0.006 19752 1064 1 2 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.295 1.376 19752 1065 1 2 . 1 1 65 65 GLY H H 65 9.316 9.316 9.329 -0.013 19752 1066 1 2 . 1 1 66 66 SER N N 66 114.840 114.840 116.087 -1.247 19752 1067 1 2 . 1 1 66 66 SER HA H 66 4.160 4.160 4.481 -0.321 19752 1068 1 2 . 1 1 66 66 SER C C 66 170.281 170.281 171.598 -1.317 19752 1069 1 2 . 1 1 66 66 SER CA C 66 56.207 56.207 55.162 1.045 19752 1070 1 2 . 1 1 66 66 SER CB C 66 63.737 63.737 65.448 -1.711 19752 1071 1 2 . 1 1 66 66 SER H H 66 7.412 7.412 7.603 -0.191 19752 1072 1 2 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.761 -1.122 19752 1073 1 2 . 1 1 67 67 PRO C C 67 170.030 170.030 173.968 -3.938 19752 1074 1 2 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.859 -2.189 19752 1075 1 2 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.170 -5.260 19752 1076 1 2 . 1 1 68 68 PHE N N 68 111.778 111.778 118.562 -6.784 19752 1077 1 2 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.352 0.141 19752 1078 1 2 . 1 1 68 68 PHE C C 68 177.055 177.055 175.117 1.938 19752 1079 1 2 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.838 -1.210 19752 1080 1 2 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.075 2.283 19752 1081 1 2 . 1 1 68 68 PHE H H 68 6.610 6.610 6.987 -0.377 19752 1082 1 2 . 1 1 69 69 LEU N N 69 119.491 119.491 121.767 -2.276 19752 1083 1 2 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.536 -0.223 19752 1084 1 2 . 1 1 69 69 LEU C C 69 176.326 176.326 177.784 -1.458 19752 1085 1 2 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.882 -1.651 19752 1086 1 2 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.518 -0.648 19752 1087 1 2 . 1 1 69 69 LEU H H 69 8.388 8.388 8.599 -0.211 19752 1088 1 2 . 1 1 70 70 ASN N N 70 112.229 112.229 116.311 -4.082 19752 1089 1 2 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.771 0.071 19752 1090 1 2 . 1 1 70 70 ASN C C 70 175.620 175.620 174.296 1.324 19752 1091 1 2 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.445 -0.777 19752 1092 1 2 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.189 0.464 19752 1093 1 2 . 1 1 70 70 ASN H H 70 7.675 7.675 8.412 -0.738 19752 1094 1 2 . 1 1 71 71 ALA N N 71 123.955 123.955 123.362 0.593 19752 1095 1 2 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.475 0.084 19752 1096 1 2 . 1 1 71 71 ALA C C 71 174.274 174.274 175.793 -1.519 19752 1097 1 2 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.603 0.867 19752 1098 1 2 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.341 -0.498 19752 1099 1 2 . 1 1 71 71 ALA H H 71 7.152 7.152 7.201 -0.049 19752 1100 1 2 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.304 0.109 19752 1101 1 2 . 1 1 72 72 PRO C C 72 176.342 176.342 175.877 0.465 19752 1102 1 2 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.450 -0.331 19752 1103 1 2 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.323 0.833 19752 1104 1 2 . 1 1 73 73 VAL N N 73 121.078 121.078 118.791 2.287 19752 1105 1 2 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.423 -0.139 19752 1106 1 2 . 1 1 73 73 VAL C C 73 177.864 177.864 177.353 0.511 19752 1107 1 2 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.212 4.065 19752 1108 1 2 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.808 -1.084 19752 1109 1 2 . 1 1 73 73 VAL H H 73 8.328 8.328 8.127 0.201 19752 1110 1 2 . 1 1 74 74 GLY N N 74 114.118 114.118 109.069 5.049 19752 1111 1 2 . 1 1 74 74 GLY C C 74 173.963 173.963 173.590 0.373 19752 1112 1 2 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.995 -0.210 19752 1113 1 2 . 1 1 74 74 GLY H H 74 8.781 8.781 8.906 -0.125 19752 1114 1 2 . 1 1 75 75 GLY N N 75 107.324 107.324 107.974 -0.650 19752 1115 1 2 . 1 1 75 75 GLY C C 75 173.460 173.460 172.497 0.963 19752 1116 1 2 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.934 -1.186 19752 1117 1 2 . 1 1 75 75 GLY H H 75 7.278 7.278 7.936 -0.658 19752 1118 1 2 . 1 1 76 76 ASN N N 76 119.682 119.682 121.617 -1.935 19752 1119 1 2 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.391 0.031 19752 1120 1 2 . 1 1 76 76 ASN C C 76 175.760 175.760 174.063 1.697 19752 1121 1 2 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.992 -0.716 19752 1122 1 2 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.814 -2.601 19752 1123 1 2 . 1 1 76 76 ASN H H 76 8.797 8.797 8.682 0.115 19752 1124 1 2 . 1 1 77 77 LEU N N 77 129.545 129.545 127.675 1.870 19752 1125 1 2 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.058 -0.187 19752 1126 1 2 . 1 1 77 77 LEU C C 77 174.374 174.374 174.513 -0.139 19752 1127 1 2 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.344 0.870 19752 1128 1 2 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.741 -0.670 19752 1129 1 2 . 1 1 77 77 LEU H H 77 10.083 10.083 9.140 0.943 19752 1130 1 2 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.411 -0.082 19752 1131 1 2 . 1 1 78 78 PRO C C 78 177.553 177.553 176.121 1.432 19752 1132 1 2 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.486 0.095 19752 1133 1 2 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.451 0.270 19752 1134 1 2 . 1 1 79 79 ALA N N 79 125.294 125.294 123.145 2.149 19752 1135 1 2 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.060 0.200 19752 1136 1 2 . 1 1 79 79 ALA C C 79 179.984 179.984 178.438 1.546 19752 1137 1 2 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.530 0.648 19752 1138 1 2 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.121 -0.875 19752 1139 1 2 . 1 1 79 79 ALA H H 79 8.585 8.585 8.183 0.402 19752 1140 1 2 . 1 1 80 80 GLY N N 80 110.970 110.970 110.889 0.081 19752 1141 1 2 . 1 1 80 80 GLY C C 80 173.499 173.499 174.021 -0.522 19752 1142 1 2 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.872 1.082 19752 1143 1 2 . 1 1 80 80 GLY H H 80 8.004 8.004 8.264 -0.260 19752 1144 1 2 . 1 1 81 81 ALA N N 81 122.249 122.249 123.714 -1.465 19752 1145 1 2 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.365 -0.114 19752 1146 1 2 . 1 1 81 81 ALA C C 81 175.709 175.709 176.251 -0.542 19752 1147 1 2 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.357 0.408 19752 1148 1 2 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.822 1.031 19752 1149 1 2 . 1 1 81 81 ALA H H 81 7.363 7.363 7.361 0.002 19752 1150 1 2 . 1 1 82 82 THR N N 82 114.980 114.980 117.572 -2.592 19752 1151 1 2 . 1 1 82 82 THR HA H 82 5.171 5.171 5.227 -0.056 19752 1152 1 2 . 1 1 82 82 THR C C 82 174.618 174.618 173.878 0.740 19752 1153 1 2 . 1 1 82 82 THR CA C 82 62.118 62.118 60.682 1.436 19752 1154 1 2 . 1 1 82 82 THR CB C 82 70.555 70.555 69.888 0.667 19752 1155 1 2 . 1 1 82 82 THR H H 82 8.181 8.181 8.307 -0.126 19752 1156 1 2 . 1 1 83 83 ILE N N 83 127.480 127.480 128.977 -1.497 19752 1157 1 2 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.410 -0.006 19752 1158 1 2 . 1 1 83 83 ILE C C 83 173.926 173.926 174.075 -0.149 19752 1159 1 2 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.982 -0.643 19752 1160 1 2 . 1 1 83 83 ILE CB C 83 42.228 42.228 42.165 0.063 19752 1161 1 2 . 1 1 83 83 ILE H H 83 9.627 9.627 9.090 0.537 19752 1162 1 2 . 1 1 84 84 VAL N N 84 128.246 128.246 127.849 0.397 19752 1163 1 2 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.456 0.217 19752 1164 1 2 . 1 1 84 84 VAL C C 84 175.501 175.501 174.731 0.770 19752 1165 1 2 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.658 1.477 19752 1166 1 2 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.736 -1.080 19752 1167 1 2 . 1 1 84 84 VAL H H 84 8.059 8.059 8.518 -0.459 19752 1168 1 2 . 1 1 85 85 TYR N N 85 126.862 126.862 126.074 0.788 19752 1169 1 2 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.893 0.532 19752 1170 1 2 . 1 1 85 85 TYR C C 85 174.273 174.273 174.456 -0.183 19752 1171 1 2 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.628 0.183 19752 1172 1 2 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.466 1.810 19752 1173 1 2 . 1 1 85 85 TYR H H 85 8.840 8.840 8.389 0.451 19752 1174 1 2 . 1 1 86 86 ASP N N 86 115.086 115.086 118.037 -2.951 19752 1175 1 2 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.832 0.636 19752 1176 1 2 . 1 1 86 86 ASP C C 86 177.943 177.943 175.847 2.096 19752 1177 1 2 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.749 0.453 19752 1178 1 2 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.450 1.125 19752 1179 1 2 . 1 1 86 86 ASP H H 86 8.843 8.843 8.533 0.310 19752 1180 1 2 . 1 1 87 87 GLU N N 87 124.208 124.208 120.217 3.991 19752 1181 1 2 . 1 1 87 87 GLU HA H 87 5.115 5.115 4.903 0.212 19752 1182 1 2 . 1 1 87 87 GLU C C 87 173.613 173.613 174.317 -0.704 19752 1183 1 2 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.744 0.028 19752 1184 1 2 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.210 2.297 19752 1185 1 2 . 1 1 87 87 GLU H H 87 8.121 8.121 7.809 0.312 19752 1186 1 2 . 1 1 88 88 VAL N N 88 121.754 121.754 125.913 -4.159 19752 1187 1 2 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.933 0.781 19752 1188 1 2 . 1 1 88 88 VAL C C 88 175.480 175.480 174.535 0.945 19752 1189 1 2 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.614 -0.844 19752 1190 1 2 . 1 1 88 88 VAL CB C 88 35.644 35.644 35.020 0.624 19752 1191 1 2 . 1 1 88 88 VAL H H 88 8.822 8.822 9.004 -0.181 19752 1192 1 2 . 1 1 89 89 CYS N N 89 118.234 118.234 124.672 -6.438 19752 1193 1 2 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.001 0.298 19752 1194 1 2 . 1 1 89 89 CYS C C 89 174.126 174.126 173.572 0.554 19752 1195 1 2 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.877 0.208 19752 1196 1 2 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.290 1.814 19752 1197 1 2 . 1 1 89 89 CYS H H 89 9.404 9.404 9.656 -0.252 19752 1198 1 2 . 1 1 90 90 ILE N N 90 122.085 122.085 123.770 -1.685 19752 1199 1 2 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.504 0.729 19752 1200 1 2 . 1 1 90 90 ILE C C 90 176.210 176.210 174.628 1.582 19752 1201 1 2 . 1 1 90 90 ILE CA C 90 61.559 61.559 61.024 0.535 19752 1202 1 2 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.736 2.753 19752 1203 1 2 . 1 1 90 90 ILE H H 90 9.773 9.773 9.420 0.353 19752 1204 1 2 . 1 1 91 91 GLN N N 91 125.884 125.884 128.392 -2.508 19752 1205 1 2 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.840 -0.221 19752 1206 1 2 . 1 1 91 91 GLN C C 91 176.019 176.019 174.514 1.505 19752 1207 1 2 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.172 2.050 19752 1208 1 2 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.182 -0.989 19752 1209 1 2 . 1 1 91 91 GLN H H 91 8.910 8.910 8.357 0.553 19752 1210 1 2 . 1 1 92 92 ALA N N 92 131.300 131.300 130.388 0.912 19752 1211 1 2 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.118 0.406 19752 1212 1 2 . 1 1 92 92 ALA C C 92 178.514 178.514 177.638 0.876 19752 1213 1 2 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.915 -0.449 19752 1214 1 2 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.453 -0.184 19752 1215 1 2 . 1 1 92 92 ALA H H 92 9.888 9.888 9.009 0.879 19752 1216 1 2 . 1 1 93 93 GLY N N 93 107.622 107.622 112.883 -5.261 19752 1217 1 2 . 1 1 93 93 GLY C C 93 174.796 174.796 173.523 1.273 19752 1218 1 2 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.918 1.552 19752 1219 1 2 . 1 1 93 93 GLY H H 93 9.675 9.675 8.296 1.379 19752 1220 1 2 . 1 1 94 94 HIS N N 94 118.233 118.233 119.132 -0.899 19752 1221 1 2 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.244 -0.418 19752 1222 1 2 . 1 1 94 94 HIS C C 94 173.575 173.575 172.794 0.781 19752 1223 1 2 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.602 0.618 19752 1224 1 2 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.212 -2.479 19752 1225 1 2 . 1 1 94 94 HIS H H 94 8.337 8.337 8.490 -0.153 19752 1226 1 2 . 1 1 95 95 ILE N N 95 118.964 118.964 120.676 -1.712 19752 1227 1 2 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.526 0.685 19752 1228 1 2 . 1 1 95 95 ILE C C 95 174.555 174.555 173.557 0.998 19752 1229 1 2 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.800 1.182 19752 1230 1 2 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.684 -1.901 19752 1231 1 2 . 1 1 95 95 ILE H H 95 8.116 8.116 7.776 0.340 19752 1232 1 2 . 1 1 96 96 TRP N N 96 127.092 127.092 129.087 -1.995 19752 1233 1 2 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.604 -0.127 19752 1234 1 2 . 1 1 96 96 TRP C C 96 176.216 176.216 176.754 -0.538 19752 1235 1 2 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.971 -0.728 19752 1236 1 2 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.491 0.278 19752 1237 1 2 . 1 1 96 96 TRP H H 96 9.869 9.869 9.309 0.560 19752 1238 1 2 . 1 1 97 97 ILE N N 97 113.283 113.283 120.426 -7.143 19752 1239 1 2 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.135 0.337 19752 1240 1 2 . 1 1 97 97 ILE C C 97 175.278 175.278 175.190 0.088 19752 1241 1 2 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.162 0.022 19752 1242 1 2 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.472 0.177 19752 1243 1 2 . 1 1 97 97 ILE H H 97 8.893 8.893 8.716 0.177 19752 1244 1 2 . 1 1 98 98 GLY N N 98 109.684 109.684 113.192 -3.508 19752 1245 1 2 . 1 1 98 98 GLY C C 98 172.048 172.048 172.337 -0.289 19752 1246 1 2 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.614 1.506 19752 1247 1 2 . 1 1 98 98 GLY H H 98 9.043 9.043 9.013 0.030 19752 1248 1 2 . 1 1 99 99 TYR N N 99 117.809 117.809 120.762 -2.953 19752 1249 1 2 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.104 -0.196 19752 1250 1 2 . 1 1 99 99 TYR C C 99 172.626 172.626 173.130 -0.504 19752 1251 1 2 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.513 0.746 19752 1252 1 2 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.322 -0.174 19752 1253 1 2 . 1 1 99 99 TYR H H 99 8.434 8.434 8.277 0.157 19752 1254 1 2 . 1 1 100 100 ASN N N 100 117.139 117.139 120.458 -3.319 19752 1255 1 2 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.347 -0.061 19752 1256 1 2 . 1 1 100 100 ASN C C 100 175.315 175.315 175.356 -0.041 19752 1257 1 2 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.447 -0.461 19752 1258 1 2 . 1 1 100 100 ASN CB C 100 39.375 39.375 38.972 0.403 19752 1259 1 2 . 1 1 100 100 ASN H H 100 8.844 8.844 8.652 0.192 19752 1260 1 2 . 1 1 101 101 ALA N N 101 126.218 126.218 127.713 -1.495 19752 1261 1 2 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.722 -0.085 19752 1262 1 2 . 1 1 101 101 ALA C C 101 179.095 179.095 178.896 0.199 19752 1263 1 2 . 1 1 101 101 ALA CA C 101 51.212 51.212 51.306 -0.094 19752 1264 1 2 . 1 1 101 101 ALA CB C 101 20.642 20.642 19.936 0.706 19752 1265 1 2 . 1 1 101 101 ALA H H 101 8.870 8.870 8.894 -0.024 19752 1266 1 2 . 1 1 102 102 TYR N N 102 121.067 121.067 118.372 2.695 19752 1267 1 2 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.242 0.097 19752 1268 1 2 . 1 1 102 102 TYR C C 102 175.986 175.986 175.695 0.291 19752 1269 1 2 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.420 -0.276 19752 1270 1 2 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.675 -0.022 19752 1271 1 2 . 1 1 102 102 TYR H H 102 8.720 8.720 8.854 -0.134 19752 1272 1 2 . 1 1 103 103 ASN N N 103 115.289 115.289 116.639 -1.350 19752 1273 1 2 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.648 -0.236 19752 1274 1 2 . 1 1 103 103 ASN C C 103 175.963 175.963 176.120 -0.157 19752 1275 1 2 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.255 -0.009 19752 1276 1 2 . 1 1 103 103 ASN CB C 103 37.245 37.245 37.591 -0.346 19752 1277 1 2 . 1 1 103 103 ASN H H 103 7.490 7.490 7.252 0.238 19752 1278 1 2 . 1 1 104 104 GLY N N 104 107.204 107.204 108.606 -1.402 19752 1279 1 2 . 1 1 104 104 GLY C C 104 174.620 174.620 173.770 0.850 19752 1280 1 2 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.182 -0.054 19752 1281 1 2 . 1 1 104 104 GLY H H 104 8.020 8.020 8.416 -0.396 19752 1282 1 2 . 1 1 105 105 ASN N N 105 118.581 118.581 120.367 -1.786 19752 1283 1 2 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.621 -0.045 19752 1284 1 2 . 1 1 105 105 ASN C C 105 173.805 173.805 174.284 -0.479 19752 1285 1 2 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.816 0.213 19752 1286 1 2 . 1 1 105 105 ASN CB C 105 38.984 38.984 38.923 0.061 19752 1287 1 2 . 1 1 105 105 ASN H H 105 7.703 7.703 7.767 -0.064 19752 1288 1 2 . 1 1 106 106 ARG N N 106 123.191 123.191 125.516 -2.325 19752 1289 1 2 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.472 0.092 19752 1290 1 2 . 1 1 106 106 ARG C C 106 174.360 174.360 175.045 -0.685 19752 1291 1 2 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.734 -1.072 19752 1292 1 2 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.315 1.292 19752 1293 1 2 . 1 1 106 106 ARG H H 106 8.635 8.635 8.702 -0.067 19752 1294 1 2 . 1 1 107 107 VAL N N 107 128.482 128.482 126.650 1.832 19752 1295 1 2 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.630 -0.077 19752 1296 1 2 . 1 1 107 107 VAL C C 107 172.290 172.290 173.839 -1.549 19752 1297 1 2 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.683 0.001 19752 1298 1 2 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.309 0.168 19752 1299 1 2 . 1 1 107 107 VAL H H 107 8.668 8.668 8.707 -0.039 19752 1300 1 2 . 1 1 108 108 TYR N N 108 119.055 119.055 123.997 -4.942 19752 1301 1 2 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.616 -0.123 19752 1302 1 2 . 1 1 108 108 TYR C C 108 175.215 175.215 175.260 -0.045 19752 1303 1 2 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.197 0.374 19752 1304 1 2 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.265 1.170 19752 1305 1 2 . 1 1 108 108 TYR H H 108 8.944 8.944 9.209 -0.265 19752 1306 1 2 . 1 1 109 109 CYS N N 109 124.377 124.377 122.714 1.663 19752 1307 1 2 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.032 0.413 19752 1308 1 2 . 1 1 109 109 CYS C C 109 171.899 171.899 173.467 -1.568 19752 1309 1 2 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.850 -1.685 19752 1310 1 2 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.264 -1.461 19752 1311 1 2 . 1 1 109 109 CYS H H 109 9.675 9.675 8.666 1.009 19752 1312 1 2 . 1 1 110 110 PRO HA H 110 4.179 4.179 2.786 1.393 19752 1313 1 2 . 1 1 110 110 PRO C C 110 175.490 175.490 177.050 -1.560 19752 1314 1 2 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.933 -1.335 19752 1315 1 2 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.023 -1.567 19752 1316 1 2 . 1 1 111 111 VAL N N 111 109.293 109.293 111.431 -2.138 19752 1317 1 2 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.573 0.836 19752 1318 1 2 . 1 1 111 111 VAL C C 111 173.598 173.598 174.116 -0.518 19752 1319 1 2 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.068 -3.975 19752 1320 1 2 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.813 3.708 19752 1321 1 2 . 1 1 111 111 VAL H H 111 8.382 8.382 7.591 0.791 19752 1322 1 2 . 1 1 112 112 ARG N N 112 110.825 110.825 114.968 -4.143 19752 1323 1 2 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.330 -1.172 19752 1324 1 2 . 1 1 112 112 ARG C C 112 175.480 175.480 174.643 0.837 19752 1325 1 2 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.956 0.493 19752 1326 1 2 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.421 -1.275 19752 1327 1 2 . 1 1 112 112 ARG H H 112 6.735 6.735 7.885 -1.150 19752 1328 1 2 . 1 1 113 113 THR N N 113 111.002 111.002 112.873 -1.871 19752 1329 1 2 . 1 1 113 113 THR HA H 113 4.238 4.238 4.427 -0.189 19752 1330 1 2 . 1 1 113 113 THR C C 113 174.123 174.123 174.179 -0.056 19752 1331 1 2 . 1 1 113 113 THR CA C 113 62.468 62.468 62.501 -0.033 19752 1332 1 2 . 1 1 113 113 THR CB C 113 70.502 70.502 69.243 1.259 19752 1333 1 2 . 1 1 113 113 THR H H 113 8.898 8.898 7.739 1.159 19752 1334 1 2 . 1 1 114 114 CYS N N 114 119.522 119.522 123.337 -3.815 19752 1335 1 2 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.196 -0.681 19752 1336 1 2 . 1 1 114 114 CYS C C 114 172.669 172.669 172.980 -0.311 19752 1337 1 2 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.888 1.729 19752 1338 1 2 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.835 -2.290 19752 1339 1 2 . 1 1 114 114 CYS H H 114 7.936 7.936 8.463 -0.527 19752 1340 1 2 . 1 1 115 115 GLN N N 115 129.342 129.342 122.869 6.473 19752 1341 1 2 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.518 0.110 19752 1342 1 2 . 1 1 115 115 GLN C C 115 175.456 175.456 175.098 0.358 19752 1343 1 2 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.317 -0.075 19752 1344 1 2 . 1 1 115 115 GLN CB C 115 31.176 31.176 29.389 1.787 19752 1345 1 2 . 1 1 115 115 GLN H H 115 7.963 7.963 8.838 -0.875 19752 1346 1 2 . 1 1 116 116 GLY N N 116 112.311 112.311 111.565 0.746 19752 1347 1 2 . 1 1 116 116 GLY C C 116 171.907 171.907 173.130 -1.223 19752 1348 1 2 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.514 -0.297 19752 1349 1 2 . 1 1 116 116 GLY H H 116 8.591 8.591 8.421 0.170 19752 1350 1 2 . 1 1 117 117 VAL N N 117 110.113 110.113 119.574 -9.461 19752 1351 1 2 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.426 -0.288 19752 1352 1 2 . 1 1 117 117 VAL C C 117 171.857 171.857 173.497 -1.640 19752 1353 1 2 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.727 0.230 19752 1354 1 2 . 1 1 117 117 VAL CB C 117 32.549 32.549 32.910 -0.361 19752 1355 1 2 . 1 1 117 117 VAL H H 117 7.745 7.745 8.621 -0.876 19752 1356 1 2 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.954 0.542 19752 1357 1 2 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.473 -0.983 19752 1358 1 2 . 1 1 118 118 PRO CB C 118 29.760 29.760 31.144 -1.384 19752 1359 1 2 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.268 0.108 19752 1360 1 2 . 1 1 119 119 PRO C C 119 176.006 176.006 176.135 -0.129 19752 1361 1 2 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.582 1.574 19752 1362 1 2 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.490 1.545 19752 1363 1 2 . 1 1 120 120 ASN N N 120 124.472 124.472 120.898 3.574 19752 1364 1 2 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.585 0.319 19752 1365 1 2 . 1 1 120 120 ASN C C 120 172.963 172.963 173.895 -0.932 19752 1366 1 2 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.749 -0.634 19752 1367 1 2 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.484 0.743 19752 1368 1 2 . 1 1 120 120 ASN H H 120 8.414 8.414 8.070 0.344 19752 1369 1 2 . 1 1 121 121 HIS N N 121 120.276 120.276 120.855 -0.579 19752 1370 1 2 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.843 -0.416 19752 1371 1 2 . 1 1 121 121 HIS C C 121 174.788 174.788 174.231 0.557 19752 1372 1 2 . 1 1 121 121 HIS CA C 121 55.700 55.700 54.040 1.660 19752 1373 1 2 . 1 1 121 121 HIS CB C 121 30.708 30.708 29.188 1.520 19752 1374 1 2 . 1 1 121 121 HIS H H 121 8.591 8.591 7.792 0.799 19752 1375 1 2 . 1 1 122 122 ILE N N 122 120.474 120.474 127.407 -6.933 19752 1376 1 2 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.406 -0.061 19752 1377 1 2 . 1 1 122 122 ILE C C 122 174.718 174.718 174.066 0.652 19752 1378 1 2 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.626 -0.496 19752 1379 1 2 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.409 1.361 19752 1380 1 2 . 1 1 122 122 ILE H H 122 8.883 8.883 8.946 -0.063 19752 1381 1 2 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.730 -0.234 19752 1382 1 2 . 1 1 123 123 PRO C C 123 177.104 177.104 176.278 0.826 19752 1383 1 2 . 1 1 123 123 PRO CA C 123 62.607 62.607 62.009 0.598 19752 1384 1 2 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.416 0.113 19752 1385 1 2 . 1 1 124 124 GLY N N 124 111.030 111.030 108.818 2.212 19752 1386 1 2 . 1 1 124 124 GLY C C 124 173.906 173.906 173.766 0.140 19752 1387 1 2 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.614 -1.497 19752 1388 1 2 . 1 1 124 124 GLY H H 124 8.553 8.553 8.709 -0.156 19752 1389 1 2 . 1 1 125 125 VAL N N 125 121.916 121.916 122.542 -0.626 19752 1390 1 2 . 1 1 125 125 VAL HA H 125 3.920 3.920 4.162 -0.242 19752 1391 1 2 . 1 1 125 125 VAL C C 125 176.148 176.148 174.385 1.763 19752 1392 1 2 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.596 2.042 19752 1393 1 2 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.560 -0.442 19752 1394 1 2 . 1 1 125 125 VAL H H 125 8.493 8.493 7.886 0.607 19752 1395 1 2 . 1 1 126 126 ALA N N 126 127.872 127.872 129.278 -1.406 19752 1396 1 2 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.445 0.045 19752 1397 1 2 . 1 1 126 126 ALA C C 126 179.447 179.447 177.170 2.277 19752 1398 1 2 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.807 1.862 19752 1399 1 2 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.504 0.124 19752 1400 1 2 . 1 1 126 126 ALA H H 126 8.835 8.835 8.349 0.486 19752 1401 1 2 . 1 1 127 127 TRP N N 127 121.928 121.928 123.225 -1.297 19752 1402 1 2 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.923 0.190 19752 1403 1 2 . 1 1 127 127 TRP C C 127 174.684 174.684 175.632 -0.948 19752 1404 1 2 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.299 -0.670 19752 1405 1 2 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.237 -2.083 19752 1406 1 2 . 1 1 127 127 TRP H H 127 8.555 8.555 8.735 -0.180 19752 1407 1 2 . 1 1 128 128 GLY N N 128 103.981 103.981 105.147 -1.166 19752 1408 1 2 . 1 1 128 128 GLY C C 128 171.694 171.694 172.475 -0.781 19752 1409 1 2 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.797 0.892 19752 1410 1 2 . 1 1 128 128 GLY H H 128 7.280 7.280 7.595 -0.315 19752 1411 1 2 . 1 1 129 129 VAL N N 129 119.078 119.078 119.924 -0.846 19752 1412 1 2 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.490 -0.147 19752 1413 1 2 . 1 1 129 129 VAL C C 129 173.255 173.255 174.888 -1.633 19752 1414 1 2 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.044 -0.383 19752 1415 1 2 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.545 1.006 19752 1416 1 2 . 1 1 129 129 VAL H H 129 8.274 8.274 8.492 -0.218 19752 1417 1 2 . 1 1 130 130 PHE N N 130 122.633 122.633 125.575 -2.942 19752 1418 1 2 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.314 0.230 19752 1419 1 2 . 1 1 130 130 PHE C C 130 175.771 175.771 175.852 -0.081 19752 1420 1 2 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.443 -0.267 19752 1421 1 2 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.942 -0.272 19752 1422 1 2 . 1 1 130 130 PHE H H 130 8.464 8.464 8.863 -0.399 19752 1423 1 3 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.748 0.018 19752 1424 1 3 . 1 1 2 2 ASN C C 2 174.930 174.930 174.102 0.828 19752 1425 1 3 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.514 -0.305 19752 1426 1 3 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.874 0.339 19752 1427 1 3 . 1 1 3 3 ALA N N 3 124.643 124.643 121.689 2.954 19752 1428 1 3 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.438 -0.174 19752 1429 1 3 . 1 1 3 3 ALA C C 3 177.790 177.790 175.778 2.012 19752 1430 1 3 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.828 1.009 19752 1431 1 3 . 1 1 3 3 ALA CB C 3 19.240 19.240 20.560 -1.320 19752 1432 1 3 . 1 1 3 3 ALA H H 3 8.386 8.386 7.533 0.853 19752 1433 1 3 . 1 1 4 4 LYS N N 4 120.203 120.203 119.430 0.773 19752 1434 1 3 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.091 0.132 19752 1435 1 3 . 1 1 4 4 LYS C C 4 176.230 176.230 174.815 1.415 19752 1436 1 3 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.355 0.179 19752 1437 1 3 . 1 1 4 4 LYS CB C 4 32.811 32.811 31.104 1.707 19752 1438 1 3 . 1 1 4 4 LYS H H 4 8.300 8.300 8.291 0.009 19752 1439 1 3 . 1 1 5 5 ASN N N 5 119.229 119.229 118.762 0.467 19752 1440 1 3 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.698 -0.030 19752 1441 1 3 . 1 1 5 5 ASN C C 5 175.033 175.033 175.660 -0.627 19752 1442 1 3 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.011 0.114 19752 1443 1 3 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.246 -0.469 19752 1444 1 3 . 1 1 5 5 ASN H H 5 8.320 8.320 8.316 0.004 19752 1445 1 3 . 1 1 6 6 TYR N N 6 120.593 120.593 127.854 -7.261 19752 1446 1 3 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.620 -0.110 19752 1447 1 3 . 1 1 6 6 TYR C C 6 175.554 175.554 174.630 0.924 19752 1448 1 3 . 1 1 6 6 TYR CA C 6 58.213 58.213 56.867 1.345 19752 1449 1 3 . 1 1 6 6 TYR CB C 6 38.601 38.601 38.364 0.237 19752 1450 1 3 . 1 1 6 6 TYR H H 6 8.087 8.087 8.666 -0.579 19752 1451 1 3 . 1 1 7 7 MET N N 7 121.477 121.477 118.488 2.989 19752 1452 1 3 . 1 1 7 7 MET HA H 7 4.391 4.391 4.038 0.353 19752 1453 1 3 . 1 1 7 7 MET C C 7 175.609 175.609 174.117 1.492 19752 1454 1 3 . 1 1 7 7 MET CA C 7 55.494 55.494 56.729 -1.235 19752 1455 1 3 . 1 1 7 7 MET CB C 7 32.970 32.970 32.078 0.892 19752 1456 1 3 . 1 1 7 7 MET H H 7 8.121 8.121 8.380 -0.259 19752 1457 1 3 . 1 1 8 8 ASP N N 8 121.704 121.704 119.547 2.157 19752 1458 1 3 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.506 0.049 19752 1459 1 3 . 1 1 8 8 ASP C C 8 176.344 176.344 176.150 0.194 19752 1460 1 3 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.990 -0.519 19752 1461 1 3 . 1 1 8 8 ASP CB C 8 41.322 41.322 40.920 0.401 19752 1462 1 3 . 1 1 8 8 ASP H H 8 8.189 8.189 8.053 0.136 19752 1463 1 3 . 1 1 9 9 LYS N N 9 122.168 122.168 121.608 0.560 19752 1464 1 3 . 1 1 9 9 LYS HA H 9 4.307 4.307 3.981 0.326 19752 1465 1 3 . 1 1 9 9 LYS C C 9 177.267 177.267 176.162 1.105 19752 1466 1 3 . 1 1 9 9 LYS CA C 9 56.622 56.622 57.589 -0.966 19752 1467 1 3 . 1 1 9 9 LYS CB C 9 32.765 32.765 31.701 1.064 19752 1468 1 3 . 1 1 9 9 LYS H H 9 8.335 8.335 8.805 -0.470 19752 1469 1 3 . 1 1 10 10 GLY N N 10 109.505 109.505 110.458 -0.953 19752 1470 1 3 . 1 1 10 10 GLY C C 10 174.568 174.568 174.450 0.118 19752 1471 1 3 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.848 0.735 19752 1472 1 3 . 1 1 10 10 GLY H H 10 8.497 8.497 7.970 0.527 19752 1473 1 3 . 1 1 11 11 THR N N 11 113.312 113.312 110.963 2.349 19752 1474 1 3 . 1 1 11 11 THR HA H 11 4.396 4.396 3.910 0.486 19752 1475 1 3 . 1 1 11 11 THR C C 11 174.719 174.719 174.751 -0.032 19752 1476 1 3 . 1 1 11 11 THR CA C 11 61.779 61.779 62.912 -1.133 19752 1477 1 3 . 1 1 11 11 THR CB C 11 69.963 69.963 67.831 2.132 19752 1478 1 3 . 1 1 11 11 THR H H 11 8.081 8.081 8.138 -0.057 19752 1479 1 3 . 1 1 12 12 SER N N 12 118.272 118.272 121.070 -2.798 19752 1480 1 3 . 1 1 12 12 SER HA H 12 4.499 4.499 4.547 -0.048 19752 1481 1 3 . 1 1 12 12 SER C C 12 174.766 174.766 174.246 0.520 19752 1482 1 3 . 1 1 12 12 SER CA C 12 58.432 58.432 57.926 0.506 19752 1483 1 3 . 1 1 12 12 SER CB C 12 63.986 63.986 61.809 2.177 19752 1484 1 3 . 1 1 12 12 SER H H 12 8.413 8.413 8.526 -0.113 19752 1485 1 3 . 1 1 13 13 SER N N 13 118.106 118.106 118.633 -0.527 19752 1486 1 3 . 1 1 13 13 SER HA H 13 4.518 4.518 4.388 0.130 19752 1487 1 3 . 1 1 13 13 SER C C 13 174.674 174.674 173.829 0.845 19752 1488 1 3 . 1 1 13 13 SER CA C 13 58.607 58.607 59.209 -0.602 19752 1489 1 3 . 1 1 13 13 SER CB C 13 63.869 63.869 63.725 0.144 19752 1490 1 3 . 1 1 13 13 SER H H 13 8.414 8.414 7.639 0.775 19752 1491 1 3 . 1 1 14 14 SER N N 14 117.724 117.724 121.287 -3.563 19752 1492 1 3 . 1 1 14 14 SER HA H 14 4.535 4.535 4.664 -0.129 19752 1493 1 3 . 1 1 14 14 SER C C 14 174.743 174.743 175.164 -0.421 19752 1494 1 3 . 1 1 14 14 SER CA C 14 58.630 58.630 56.444 2.186 19752 1495 1 3 . 1 1 14 14 SER CB C 14 63.798 63.798 64.077 -0.279 19752 1496 1 3 . 1 1 14 14 SER H H 14 8.379 8.379 8.376 0.003 19752 1497 1 3 . 1 1 15 15 THR N N 15 116.549 116.549 124.723 -8.174 19752 1498 1 3 . 1 1 15 15 THR HA H 15 4.336 4.336 4.067 0.269 19752 1499 1 3 . 1 1 15 15 THR C C 15 174.310 174.310 175.262 -0.952 19752 1500 1 3 . 1 1 15 15 THR CA C 15 62.161 62.161 65.296 -3.135 19752 1501 1 3 . 1 1 15 15 THR CB C 15 69.603 69.603 68.930 0.673 19752 1502 1 3 . 1 1 15 15 THR H H 15 8.195 8.195 8.881 -0.686 19752 1503 1 3 . 1 1 16 16 VAL N N 16 123.406 123.406 118.340 5.066 19752 1504 1 3 . 1 1 16 16 VAL HA H 16 4.102 4.102 3.968 0.134 19752 1505 1 3 . 1 1 16 16 VAL C C 16 175.934 175.934 176.601 -0.667 19752 1506 1 3 . 1 1 16 16 VAL CA C 16 62.512 62.512 64.125 -1.613 19752 1507 1 3 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.089 0.649 19752 1508 1 3 . 1 1 16 16 VAL H H 16 8.121 8.121 8.047 0.074 19752 1509 1 3 . 1 1 17 17 VAL N N 17 125.445 125.445 117.682 7.763 19752 1510 1 3 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.178 -0.093 19752 1511 1 3 . 1 1 17 17 VAL C C 17 176.102 176.102 175.729 0.373 19752 1512 1 3 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.724 -0.445 19752 1513 1 3 . 1 1 17 17 VAL CB C 17 32.677 32.677 34.063 -1.386 19752 1514 1 3 . 1 1 17 17 VAL H H 17 8.293 8.293 7.448 0.845 19752 1515 1 3 . 1 1 18 18 LYS N N 18 126.281 126.281 122.705 3.576 19752 1516 1 3 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.515 -0.173 19752 1517 1 3 . 1 1 18 18 LYS C C 18 176.138 176.138 175.710 0.428 19752 1518 1 3 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.714 0.491 19752 1519 1 3 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.968 1.178 19752 1520 1 3 . 1 1 18 18 LYS H H 18 8.478 8.478 8.347 0.131 19752 1521 1 3 . 1 1 19 19 ASP N N 19 121.904 121.904 122.406 -0.502 19752 1522 1 3 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.516 0.048 19752 1523 1 3 . 1 1 19 19 ASP C C 19 176.698 176.698 176.912 -0.214 19752 1524 1 3 . 1 1 19 19 ASP CA C 19 54.385 54.385 55.103 -0.718 19752 1525 1 3 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.418 -0.195 19752 1526 1 3 . 1 1 19 19 ASP H H 19 8.379 8.379 8.530 -0.151 19752 1527 1 3 . 1 1 20 20 GLY N N 20 109.177 109.177 109.753 -0.576 19752 1528 1 3 . 1 1 20 20 GLY C C 20 174.374 174.374 174.682 -0.308 19752 1529 1 3 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.897 0.741 19752 1530 1 3 . 1 1 20 20 GLY H H 20 8.390 8.390 8.151 0.239 19752 1531 1 3 . 1 1 21 21 LYS N N 21 120.814 120.814 122.601 -1.787 19752 1532 1 3 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.534 -0.145 19752 1533 1 3 . 1 1 21 21 LYS C C 21 177.041 177.041 175.754 1.287 19752 1534 1 3 . 1 1 21 21 LYS CA C 21 56.576 56.576 55.719 0.857 19752 1535 1 3 . 1 1 21 21 LYS CB C 21 33.090 33.090 34.534 -1.444 19752 1536 1 3 . 1 1 21 21 LYS H H 21 8.229 8.229 8.403 -0.174 19752 1537 1 3 . 1 1 22 22 THR N N 22 115.105 115.105 114.290 0.815 19752 1538 1 3 . 1 1 22 22 THR HA H 22 4.393 4.393 4.160 0.233 19752 1539 1 3 . 1 1 22 22 THR C C 22 174.607 174.607 173.008 1.599 19752 1540 1 3 . 1 1 22 22 THR CA C 22 61.880 61.880 62.687 -0.806 19752 1541 1 3 . 1 1 22 22 THR CB C 22 69.736 69.736 67.696 2.040 19752 1542 1 3 . 1 1 22 22 THR H H 22 8.237 8.237 8.379 -0.142 19752 1543 1 3 . 1 1 24 24 SER HA H 24 4.486 4.486 4.356 0.130 19752 1544 1 3 . 1 1 24 24 SER C C 24 174.299 174.299 174.870 -0.571 19752 1545 1 3 . 1 1 24 24 SER CA C 24 58.547 58.547 58.798 -0.251 19752 1546 1 3 . 1 1 24 24 SER CB C 24 63.787 63.787 62.417 1.370 19752 1547 1 3 . 1 1 25 25 ALA N N 25 125.891 125.891 122.997 2.894 19752 1548 1 3 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.272 0.104 19752 1549 1 3 . 1 1 25 25 ALA C C 25 177.660 177.660 178.102 -0.442 19752 1550 1 3 . 1 1 25 25 ALA CA C 25 52.629 52.629 53.682 -1.053 19752 1551 1 3 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.824 0.467 19752 1552 1 3 . 1 1 25 25 ALA H H 25 8.328 8.328 8.433 -0.105 19752 1553 1 3 . 1 1 26 26 SER N N 26 115.155 115.155 114.862 0.293 19752 1554 1 3 . 1 1 26 26 SER HA H 26 4.486 4.486 4.449 0.037 19752 1555 1 3 . 1 1 26 26 SER C C 26 174.291 174.291 174.459 -0.168 19752 1556 1 3 . 1 1 26 26 SER CA C 26 58.237 58.237 59.778 -1.541 19752 1557 1 3 . 1 1 26 26 SER CB C 26 63.917 63.917 63.074 0.843 19752 1558 1 3 . 1 1 26 26 SER H H 26 8.267 8.267 8.449 -0.182 19752 1559 1 3 . 1 1 27 27 THR N N 27 118.324 118.324 116.311 2.013 19752 1560 1 3 . 1 1 27 27 THR HA H 27 4.627 4.627 4.759 -0.132 19752 1561 1 3 . 1 1 27 27 THR C C 27 172.782 172.782 173.126 -0.344 19752 1562 1 3 . 1 1 27 27 THR CA C 27 59.748 59.748 58.852 0.896 19752 1563 1 3 . 1 1 27 27 THR CB C 27 69.702 69.702 70.531 -0.829 19752 1564 1 3 . 1 1 27 27 THR H H 27 8.164 8.164 7.793 0.371 19752 1565 1 3 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.365 0.038 19752 1566 1 3 . 1 1 28 28 PRO C C 28 176.630 176.630 177.823 -1.193 19752 1567 1 3 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.413 -1.163 19752 1568 1 3 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.833 0.332 19752 1569 1 3 . 1 1 29 29 ALA N N 29 124.263 124.263 122.530 1.733 19752 1570 1 3 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.011 0.338 19752 1571 1 3 . 1 1 29 29 ALA C C 29 177.974 177.974 178.693 -0.719 19752 1572 1 3 . 1 1 29 29 ALA CA C 29 52.655 52.655 54.535 -1.880 19752 1573 1 3 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.004 2.273 19752 1574 1 3 . 1 1 29 29 ALA H H 29 8.432 8.432 8.385 0.047 19752 1575 1 3 . 1 1 30 30 THR N N 30 113.368 113.368 116.610 -3.242 19752 1576 1 3 . 1 1 30 30 THR HA H 30 4.281 4.281 4.284 -0.003 19752 1577 1 3 . 1 1 30 30 THR C C 30 174.257 174.257 173.759 0.498 19752 1578 1 3 . 1 1 30 30 THR CA C 30 61.656 61.656 61.550 0.106 19752 1579 1 3 . 1 1 30 30 THR CB C 30 69.801 69.801 69.392 0.409 19752 1580 1 3 . 1 1 30 30 THR H H 30 8.106 8.106 8.367 -0.261 19752 1581 1 3 . 1 1 31 31 ARG N N 31 124.700 124.700 119.189 5.511 19752 1582 1 3 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.028 0.622 19752 1583 1 3 . 1 1 31 31 ARG C C 31 174.094 174.094 174.216 -0.122 19752 1584 1 3 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.072 -2.021 19752 1585 1 3 . 1 1 31 31 ARG CB C 31 30.374 30.374 27.669 2.705 19752 1586 1 3 . 1 1 31 31 ARG H H 31 8.318 8.318 7.607 0.711 19752 1587 1 3 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.197 0.302 19752 1588 1 3 . 1 1 32 32 PRO C C 32 177.065 177.065 176.423 0.642 19752 1589 1 3 . 1 1 32 32 PRO CA C 32 63.060 63.060 65.111 -2.051 19752 1590 1 3 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.784 0.373 19752 1591 1 3 . 1 1 33 33 VAL N N 33 120.890 120.890 112.689 8.201 19752 1592 1 3 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.212 -0.004 19752 1593 1 3 . 1 1 33 33 VAL C C 33 176.668 176.668 176.883 -0.215 19752 1594 1 3 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.958 -0.350 19752 1595 1 3 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.275 0.472 19752 1596 1 3 . 1 1 33 33 VAL H H 33 8.447 8.447 7.862 0.585 19752 1597 1 3 . 1 1 34 34 THR N N 34 116.709 116.709 119.200 -2.491 19752 1598 1 3 . 1 1 34 34 THR HA H 34 4.377 4.377 4.404 -0.027 19752 1599 1 3 . 1 1 34 34 THR C C 34 174.791 174.791 174.019 0.772 19752 1600 1 3 . 1 1 34 34 THR CA C 34 61.700 61.700 62.962 -1.262 19752 1601 1 3 . 1 1 34 34 THR CB C 34 69.697 69.697 67.606 2.091 19752 1602 1 3 . 1 1 34 34 THR H H 34 8.221 8.221 8.278 -0.057 19752 1603 1 3 . 1 1 35 35 GLY N N 35 111.182 111.182 109.463 1.719 19752 1604 1 3 . 1 1 35 35 GLY C C 35 173.940 173.940 172.980 0.960 19752 1605 1 3 . 1 1 35 35 GLY CA C 35 45.656 45.656 44.985 0.671 19752 1606 1 3 . 1 1 35 35 GLY H H 35 8.376 8.376 8.024 0.352 19752 1607 1 3 . 1 1 36 36 SER N N 36 116.779 116.779 115.233 1.546 19752 1608 1 3 . 1 1 36 36 SER HA H 36 4.456 4.456 4.503 -0.047 19752 1609 1 3 . 1 1 36 36 SER C C 36 173.880 173.880 173.260 0.620 19752 1610 1 3 . 1 1 36 36 SER CA C 36 58.255 58.255 58.402 -0.147 19752 1611 1 3 . 1 1 36 36 SER CB C 36 64.195 64.195 64.485 -0.290 19752 1612 1 3 . 1 1 36 36 SER H H 36 8.456 8.456 7.859 0.597 19752 1613 1 3 . 1 1 37 37 TRP N N 37 121.744 121.744 121.331 0.413 19752 1614 1 3 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.764 -0.236 19752 1615 1 3 . 1 1 37 37 TRP C C 37 176.500 176.500 175.735 0.765 19752 1616 1 3 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.404 0.686 19752 1617 1 3 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.851 0.156 19752 1618 1 3 . 1 1 37 37 TRP H H 37 8.171 8.171 8.267 -0.096 19752 1619 1 3 . 1 1 38 38 LYS N N 38 123.158 123.158 119.859 3.299 19752 1620 1 3 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.709 -0.083 19752 1621 1 3 . 1 1 38 38 LYS C C 38 172.839 172.839 174.951 -2.112 19752 1622 1 3 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.418 1.738 19752 1623 1 3 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.116 1.540 19752 1624 1 3 . 1 1 38 38 LYS H H 38 8.736 8.736 8.909 -0.173 19752 1625 1 3 . 1 1 39 39 LYS N N 39 121.526 121.526 123.362 -1.836 19752 1626 1 3 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.907 0.833 19752 1627 1 3 . 1 1 39 39 LYS C C 39 177.510 177.510 176.173 1.337 19752 1628 1 3 . 1 1 39 39 LYS CA C 39 54.316 54.316 54.986 -0.669 19752 1629 1 3 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.060 0.297 19752 1630 1 3 . 1 1 39 39 LYS H H 39 8.123 8.123 8.298 -0.175 19752 1631 1 3 . 1 1 40 40 ASN N N 40 123.988 123.988 125.435 -1.447 19752 1632 1 3 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.821 0.235 19752 1633 1 3 . 1 1 40 40 ASN C C 40 177.524 177.524 175.903 1.621 19752 1634 1 3 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.722 -1.882 19752 1635 1 3 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.005 -1.849 19752 1636 1 3 . 1 1 40 40 ASN H H 40 8.583 8.583 8.909 -0.326 19752 1637 1 3 . 1 1 41 41 GLN N N 41 116.529 116.529 121.548 -5.019 19752 1638 1 3 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.983 0.077 19752 1639 1 3 . 1 1 41 41 GLN C C 41 175.829 175.829 176.453 -0.624 19752 1640 1 3 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.980 -0.219 19752 1641 1 3 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.330 -0.383 19752 1642 1 3 . 1 1 41 41 GLN H H 41 8.856 8.856 8.761 0.095 19752 1643 1 3 . 1 1 42 42 TYR N N 42 119.255 119.255 116.606 2.649 19752 1644 1 3 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.506 0.145 19752 1645 1 3 . 1 1 42 42 TYR C C 42 175.782 175.782 176.561 -0.779 19752 1646 1 3 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.260 -0.140 19752 1647 1 3 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.169 -0.051 19752 1648 1 3 . 1 1 42 42 TYR H H 42 7.604 7.604 8.124 -0.520 19752 1649 1 3 . 1 1 43 43 GLY N N 43 106.354 106.354 108.573 -2.219 19752 1650 1 3 . 1 1 43 43 GLY C C 43 173.297 173.297 174.073 -0.776 19752 1651 1 3 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.233 -0.070 19752 1652 1 3 . 1 1 43 43 GLY H H 43 7.993 7.993 7.838 0.155 19752 1653 1 3 . 1 1 44 44 THR N N 44 120.062 120.062 116.589 3.473 19752 1654 1 3 . 1 1 44 44 THR HA H 44 4.176 4.176 4.971 -0.795 19752 1655 1 3 . 1 1 44 44 THR C C 44 173.969 173.969 173.518 0.451 19752 1656 1 3 . 1 1 44 44 THR CA C 44 62.132 62.132 62.160 -0.028 19752 1657 1 3 . 1 1 44 44 THR CB C 44 68.989 68.989 69.893 -0.904 19752 1658 1 3 . 1 1 44 44 THR H H 44 7.781 7.781 7.207 0.574 19752 1659 1 3 . 1 1 45 45 TRP N N 45 129.666 129.666 128.914 0.752 19752 1660 1 3 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.470 0.206 19752 1661 1 3 . 1 1 45 45 TRP C C 45 175.999 175.999 176.413 -0.414 19752 1662 1 3 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.155 0.451 19752 1663 1 3 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.026 0.615 19752 1664 1 3 . 1 1 45 45 TRP H H 45 8.041 8.041 9.065 -1.024 19752 1665 1 3 . 1 1 46 46 TYR N N 46 122.938 122.938 120.503 2.435 19752 1666 1 3 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.060 0.278 19752 1667 1 3 . 1 1 46 46 TYR C C 46 173.663 173.663 173.958 -0.295 19752 1668 1 3 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.094 1.213 19752 1669 1 3 . 1 1 46 46 TYR CB C 46 44.125 44.125 41.925 2.200 19752 1670 1 3 . 1 1 46 46 TYR H H 46 10.329 10.329 9.386 0.943 19752 1671 1 3 . 1 1 47 47 LYS N N 47 118.986 118.986 118.782 0.204 19752 1672 1 3 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.837 -0.066 19752 1673 1 3 . 1 1 47 47 LYS C C 47 172.462 172.462 174.226 -1.764 19752 1674 1 3 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.805 0.907 19752 1675 1 3 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.565 -0.447 19752 1676 1 3 . 1 1 47 47 LYS H H 47 8.923 8.923 9.411 -0.488 19752 1677 1 3 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.819 -0.017 19752 1678 1 3 . 1 1 48 48 PRO C C 48 176.747 176.747 176.200 0.547 19752 1679 1 3 . 1 1 48 48 PRO CA C 48 62.665 62.665 63.047 -0.382 19752 1680 1 3 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.593 0.447 19752 1681 1 3 . 1 1 49 49 GLU N N 49 125.285 125.285 124.067 1.218 19752 1682 1 3 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.394 -0.406 19752 1683 1 3 . 1 1 49 49 GLU C C 49 170.927 170.927 174.301 -3.374 19752 1684 1 3 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.136 1.734 19752 1685 1 3 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.682 0.548 19752 1686 1 3 . 1 1 49 49 GLU H H 49 7.771 7.771 8.463 -0.692 19752 1687 1 3 . 1 1 50 50 ASN N N 50 122.328 122.328 124.480 -2.152 19752 1688 1 3 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.567 -0.169 19752 1689 1 3 . 1 1 50 50 ASN C C 50 173.648 173.648 173.811 -0.163 19752 1690 1 3 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.724 -1.038 19752 1691 1 3 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.027 0.619 19752 1692 1 3 . 1 1 50 50 ASN H H 50 8.148 8.148 8.530 -0.382 19752 1693 1 3 . 1 1 51 51 ALA N N 51 126.527 126.527 129.212 -2.685 19752 1694 1 3 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.482 -0.029 19752 1695 1 3 . 1 1 51 51 ALA C C 51 172.872 172.872 174.590 -1.718 19752 1696 1 3 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.945 0.652 19752 1697 1 3 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.577 -2.907 19752 1698 1 3 . 1 1 51 51 ALA H H 51 7.085 7.085 8.388 -1.303 19752 1699 1 3 . 1 1 52 52 THR N N 52 112.831 112.831 114.111 -1.280 19752 1700 1 3 . 1 1 52 52 THR HA H 52 5.167 5.167 5.390 -0.223 19752 1701 1 3 . 1 1 52 52 THR C C 52 172.852 172.852 173.050 -0.198 19752 1702 1 3 . 1 1 52 52 THR CA C 52 62.232 62.232 61.175 1.057 19752 1703 1 3 . 1 1 52 52 THR CB C 52 71.068 71.068 71.583 -0.515 19752 1704 1 3 . 1 1 52 52 THR H H 52 8.036 8.036 8.634 -0.598 19752 1705 1 3 . 1 1 53 53 PHE N N 53 127.883 127.883 126.375 1.508 19752 1706 1 3 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.200 0.123 19752 1707 1 3 . 1 1 53 53 PHE C C 53 172.928 172.928 172.754 0.174 19752 1708 1 3 . 1 1 53 53 PHE CA C 53 55.275 55.275 56.082 -0.807 19752 1709 1 3 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.084 0.121 19752 1710 1 3 . 1 1 53 53 PHE H H 53 9.714 9.714 9.572 0.142 19752 1711 1 3 . 1 1 54 54 VAL N N 54 127.284 127.284 128.113 -0.829 19752 1712 1 3 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.549 -0.229 19752 1713 1 3 . 1 1 54 54 VAL C C 54 175.842 175.842 174.204 1.638 19752 1714 1 3 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.395 -0.243 19752 1715 1 3 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.136 -0.398 19752 1716 1 3 . 1 1 54 54 VAL H H 54 8.583 8.583 8.814 -0.231 19752 1717 1 3 . 1 1 55 55 ASN N N 55 125.723 125.723 125.521 0.202 19752 1718 1 3 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.131 0.029 19752 1719 1 3 . 1 1 55 55 ASN C C 55 176.333 176.333 175.262 1.071 19752 1720 1 3 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.316 0.273 19752 1721 1 3 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.721 -1.076 19752 1722 1 3 . 1 1 55 55 ASN H H 55 8.970 8.970 8.147 0.823 19752 1723 1 3 . 1 1 56 56 GLY N N 56 114.389 114.389 112.061 2.328 19752 1724 1 3 . 1 1 56 56 GLY C C 56 173.882 173.882 174.815 -0.933 19752 1725 1 3 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.333 -1.657 19752 1726 1 3 . 1 1 56 56 GLY H H 56 8.360 8.360 8.278 0.082 19752 1727 1 3 . 1 1 57 57 ASN N N 57 115.511 115.511 120.933 -5.422 19752 1728 1 3 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.660 -0.149 19752 1729 1 3 . 1 1 57 57 ASN C C 57 174.741 174.741 175.113 -0.372 19752 1730 1 3 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.710 -0.497 19752 1731 1 3 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.018 -1.389 19752 1732 1 3 . 1 1 57 57 ASN H H 57 8.149 8.149 8.531 -0.382 19752 1733 1 3 . 1 1 58 58 GLN N N 58 118.128 118.128 115.890 2.238 19752 1734 1 3 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.684 0.276 19752 1735 1 3 . 1 1 58 58 GLN C C 58 172.603 172.603 172.988 -0.385 19752 1736 1 3 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.827 -0.194 19752 1737 1 3 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.785 0.783 19752 1738 1 3 . 1 1 58 58 GLN H H 58 7.702 7.702 7.687 0.015 19752 1739 1 3 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.715 0.225 19752 1740 1 3 . 1 1 59 59 PRO C C 59 176.506 176.506 176.087 0.419 19752 1741 1 3 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.859 -0.603 19752 1742 1 3 . 1 1 59 59 PRO CB C 59 32.660 32.660 31.956 0.704 19752 1743 1 3 . 1 1 60 60 ILE N N 60 120.974 120.974 125.979 -5.005 19752 1744 1 3 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.164 0.110 19752 1745 1 3 . 1 1 60 60 ILE C C 60 175.190 175.190 175.253 -0.063 19752 1746 1 3 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.104 0.583 19752 1747 1 3 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.559 2.186 19752 1748 1 3 . 1 1 60 60 ILE H H 60 8.126 8.126 8.851 -0.725 19752 1749 1 3 . 1 1 61 61 VAL N N 61 128.224 128.224 128.864 -0.640 19752 1750 1 3 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.345 -0.232 19752 1751 1 3 . 1 1 61 61 VAL C C 61 175.973 175.973 175.647 0.326 19752 1752 1 3 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.639 2.637 19752 1753 1 3 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.696 -0.766 19752 1754 1 3 . 1 1 61 61 VAL H H 61 8.421 8.421 8.728 -0.307 19752 1755 1 3 . 1 1 62 62 THR N N 62 118.454 118.454 123.155 -4.701 19752 1756 1 3 . 1 1 62 62 THR HA H 62 5.021 5.021 4.738 0.283 19752 1757 1 3 . 1 1 62 62 THR C C 62 174.936 174.936 174.060 0.876 19752 1758 1 3 . 1 1 62 62 THR CA C 62 61.286 61.286 61.078 0.208 19752 1759 1 3 . 1 1 62 62 THR CB C 62 71.133 71.133 71.014 0.119 19752 1760 1 3 . 1 1 62 62 THR H H 62 7.989 7.989 8.947 -0.958 19752 1761 1 3 . 1 1 63 63 ARG N N 63 118.225 118.225 121.388 -3.163 19752 1762 1 3 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.393 0.036 19752 1763 1 3 . 1 1 63 63 ARG C C 63 175.607 175.607 175.524 0.083 19752 1764 1 3 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.373 -0.726 19752 1765 1 3 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.077 1.526 19752 1766 1 3 . 1 1 63 63 ARG H H 63 9.336 9.336 9.052 0.284 19752 1767 1 3 . 1 1 64 64 ILE N N 64 119.746 119.746 121.680 -1.934 19752 1768 1 3 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.089 0.376 19752 1769 1 3 . 1 1 64 64 ILE C C 64 179.206 179.206 177.285 1.921 19752 1770 1 3 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.890 -0.701 19752 1771 1 3 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.085 -0.837 19752 1772 1 3 . 1 1 64 64 ILE H H 64 8.741 8.741 8.297 0.444 19752 1773 1 3 . 1 1 65 65 GLY N N 65 116.059 116.059 116.845 -0.786 19752 1774 1 3 . 1 1 65 65 GLY C C 65 174.185 174.185 173.866 0.319 19752 1775 1 3 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.073 1.598 19752 1776 1 3 . 1 1 65 65 GLY H H 65 9.316 9.316 9.161 0.155 19752 1777 1 3 . 1 1 66 66 SER N N 66 114.840 114.840 114.958 -0.118 19752 1778 1 3 . 1 1 66 66 SER HA H 66 4.160 4.160 4.576 -0.416 19752 1779 1 3 . 1 1 66 66 SER C C 66 170.281 170.281 171.501 -1.220 19752 1780 1 3 . 1 1 66 66 SER CA C 66 56.207 56.207 56.286 -0.079 19752 1781 1 3 . 1 1 66 66 SER CB C 66 63.737 63.737 65.410 -1.673 19752 1782 1 3 . 1 1 66 66 SER H H 66 7.412 7.412 7.303 0.109 19752 1783 1 3 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.853 -1.214 19752 1784 1 3 . 1 1 67 67 PRO C C 67 170.030 170.030 174.395 -4.365 19752 1785 1 3 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.412 -1.742 19752 1786 1 3 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.189 -5.279 19752 1787 1 3 . 1 1 68 68 PHE N N 68 111.778 111.778 118.695 -6.917 19752 1788 1 3 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.424 0.069 19752 1789 1 3 . 1 1 68 68 PHE C C 68 177.055 177.055 175.661 1.394 19752 1790 1 3 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.986 -1.358 19752 1791 1 3 . 1 1 68 68 PHE CB C 68 43.358 43.358 42.301 1.057 19752 1792 1 3 . 1 1 68 68 PHE H H 68 6.610 6.610 7.116 -0.506 19752 1793 1 3 . 1 1 69 69 LEU N N 69 119.491 119.491 122.201 -2.710 19752 1794 1 3 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.507 -0.194 19752 1795 1 3 . 1 1 69 69 LEU C C 69 176.326 176.326 176.916 -0.590 19752 1796 1 3 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.473 -0.242 19752 1797 1 3 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.993 -1.123 19752 1798 1 3 . 1 1 69 69 LEU H H 69 8.388 8.388 8.861 -0.473 19752 1799 1 3 . 1 1 70 70 ASN N N 70 112.229 112.229 114.440 -2.211 19752 1800 1 3 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.720 0.122 19752 1801 1 3 . 1 1 70 70 ASN C C 70 175.620 175.620 174.768 0.852 19752 1802 1 3 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.237 -0.569 19752 1803 1 3 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.993 -0.341 19752 1804 1 3 . 1 1 70 70 ASN H H 70 7.675 7.675 8.055 -0.380 19752 1805 1 3 . 1 1 71 71 ALA N N 71 123.955 123.955 125.126 -1.171 19752 1806 1 3 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.578 -0.019 19752 1807 1 3 . 1 1 71 71 ALA C C 71 174.274 174.274 175.574 -1.300 19752 1808 1 3 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.394 1.076 19752 1809 1 3 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.384 -0.541 19752 1810 1 3 . 1 1 71 71 ALA H H 71 7.152 7.152 7.237 -0.085 19752 1811 1 3 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.369 0.044 19752 1812 1 3 . 1 1 72 72 PRO C C 72 176.342 176.342 175.866 0.476 19752 1813 1 3 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.534 -0.415 19752 1814 1 3 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.878 0.278 19752 1815 1 3 . 1 1 73 73 VAL N N 73 121.078 121.078 117.959 3.119 19752 1816 1 3 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.420 -0.136 19752 1817 1 3 . 1 1 73 73 VAL C C 73 177.864 177.864 177.127 0.737 19752 1818 1 3 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.255 3.022 19752 1819 1 3 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.331 -1.607 19752 1820 1 3 . 1 1 73 73 VAL H H 73 8.328 8.328 8.093 0.235 19752 1821 1 3 . 1 1 74 74 GLY N N 74 114.118 114.118 108.538 5.580 19752 1822 1 3 . 1 1 74 74 GLY C C 74 173.963 173.963 174.084 -0.121 19752 1823 1 3 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.763 0.022 19752 1824 1 3 . 1 1 74 74 GLY H H 74 8.781 8.781 8.795 -0.014 19752 1825 1 3 . 1 1 75 75 GLY N N 75 107.324 107.324 110.198 -2.874 19752 1826 1 3 . 1 1 75 75 GLY C C 75 173.460 173.460 172.423 1.037 19752 1827 1 3 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.196 -0.448 19752 1828 1 3 . 1 1 75 75 GLY H H 75 7.278 7.278 7.713 -0.435 19752 1829 1 3 . 1 1 76 76 ASN N N 76 119.682 119.682 123.868 -4.186 19752 1830 1 3 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.067 0.355 19752 1831 1 3 . 1 1 76 76 ASN C C 76 175.760 175.760 174.555 1.205 19752 1832 1 3 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.762 -0.485 19752 1833 1 3 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.444 -2.231 19752 1834 1 3 . 1 1 76 76 ASN H H 76 8.797 8.797 8.696 0.101 19752 1835 1 3 . 1 1 77 77 LEU N N 77 129.545 129.545 128.372 1.173 19752 1836 1 3 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.905 -0.034 19752 1837 1 3 . 1 1 77 77 LEU C C 77 174.374 174.374 174.392 -0.018 19752 1838 1 3 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.170 1.044 19752 1839 1 3 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.301 -0.230 19752 1840 1 3 . 1 1 77 77 LEU H H 77 10.083 10.083 9.179 0.904 19752 1841 1 3 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.499 -0.170 19752 1842 1 3 . 1 1 78 78 PRO C C 78 177.553 177.553 175.989 1.564 19752 1843 1 3 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.095 0.486 19752 1844 1 3 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.731 -0.010 19752 1845 1 3 . 1 1 79 79 ALA N N 79 125.294 125.294 122.488 2.806 19752 1846 1 3 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.046 0.214 19752 1847 1 3 . 1 1 79 79 ALA C C 79 179.984 179.984 178.057 1.927 19752 1848 1 3 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.613 0.565 19752 1849 1 3 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.809 -0.563 19752 1850 1 3 . 1 1 79 79 ALA H H 79 8.585 8.585 8.169 0.416 19752 1851 1 3 . 1 1 80 80 GLY N N 80 110.970 110.970 111.102 -0.132 19752 1852 1 3 . 1 1 80 80 GLY C C 80 173.499 173.499 173.831 -0.332 19752 1853 1 3 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.760 1.194 19752 1854 1 3 . 1 1 80 80 GLY H H 80 8.004 8.004 8.615 -0.611 19752 1855 1 3 . 1 1 81 81 ALA N N 81 122.249 122.249 123.571 -1.322 19752 1856 1 3 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.470 -0.219 19752 1857 1 3 . 1 1 81 81 ALA C C 81 175.709 175.709 176.185 -0.476 19752 1858 1 3 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.889 0.876 19752 1859 1 3 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.741 1.111 19752 1860 1 3 . 1 1 81 81 ALA H H 81 7.363 7.363 7.281 0.082 19752 1861 1 3 . 1 1 82 82 THR N N 82 114.980 114.980 119.826 -4.846 19752 1862 1 3 . 1 1 82 82 THR HA H 82 5.171 5.171 4.655 0.516 19752 1863 1 3 . 1 1 82 82 THR C C 82 174.618 174.618 173.495 1.123 19752 1864 1 3 . 1 1 82 82 THR CA C 82 62.118 62.118 61.906 0.212 19752 1865 1 3 . 1 1 82 82 THR CB C 82 70.555 70.555 69.059 1.496 19752 1866 1 3 . 1 1 82 82 THR H H 82 8.181 8.181 8.377 -0.196 19752 1867 1 3 . 1 1 83 83 ILE N N 83 127.480 127.480 129.145 -1.665 19752 1868 1 3 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.386 0.018 19752 1869 1 3 . 1 1 83 83 ILE C C 83 173.926 173.926 174.048 -0.122 19752 1870 1 3 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.375 -0.036 19752 1871 1 3 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.419 1.809 19752 1872 1 3 . 1 1 83 83 ILE H H 83 9.627 9.627 9.249 0.378 19752 1873 1 3 . 1 1 84 84 VAL N N 84 128.246 128.246 128.004 0.242 19752 1874 1 3 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.652 0.021 19752 1875 1 3 . 1 1 84 84 VAL C C 84 175.501 175.501 174.097 1.404 19752 1876 1 3 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.204 1.931 19752 1877 1 3 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.973 -2.317 19752 1878 1 3 . 1 1 84 84 VAL H H 84 8.059 8.059 8.527 -0.468 19752 1879 1 3 . 1 1 85 85 TYR N N 85 126.862 126.862 124.811 2.051 19752 1880 1 3 . 1 1 85 85 TYR HA H 85 5.425 5.425 5.088 0.337 19752 1881 1 3 . 1 1 85 85 TYR C C 85 174.273 174.273 174.104 0.169 19752 1882 1 3 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.199 0.612 19752 1883 1 3 . 1 1 85 85 TYR CB C 85 42.276 42.276 41.172 1.104 19752 1884 1 3 . 1 1 85 85 TYR H H 85 8.840 8.840 8.776 0.064 19752 1885 1 3 . 1 1 86 86 ASP N N 86 115.086 115.086 118.107 -3.021 19752 1886 1 3 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.875 0.593 19752 1887 1 3 . 1 1 86 86 ASP C C 86 177.943 177.943 176.202 1.741 19752 1888 1 3 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.331 0.872 19752 1889 1 3 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.396 1.179 19752 1890 1 3 . 1 1 86 86 ASP H H 86 8.843 8.843 8.701 0.142 19752 1891 1 3 . 1 1 87 87 GLU N N 87 124.208 124.208 119.484 4.724 19752 1892 1 3 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.269 -0.154 19752 1893 1 3 . 1 1 87 87 GLU C C 87 173.613 173.613 174.537 -0.924 19752 1894 1 3 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.848 -0.076 19752 1895 1 3 . 1 1 87 87 GLU CB C 87 35.507 35.507 34.084 1.423 19752 1896 1 3 . 1 1 87 87 GLU H H 87 8.121 8.121 7.814 0.307 19752 1897 1 3 . 1 1 88 88 VAL N N 88 121.754 121.754 125.458 -3.704 19752 1898 1 3 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.894 0.820 19752 1899 1 3 . 1 1 88 88 VAL C C 88 175.480 175.480 174.656 0.824 19752 1900 1 3 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.973 -1.203 19752 1901 1 3 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.826 0.818 19752 1902 1 3 . 1 1 88 88 VAL H H 88 8.822 8.822 9.175 -0.353 19752 1903 1 3 . 1 1 89 89 CYS N N 89 118.234 118.234 124.531 -6.297 19752 1904 1 3 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.146 0.153 19752 1905 1 3 . 1 1 89 89 CYS C C 89 174.126 174.126 173.545 0.581 19752 1906 1 3 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.922 0.163 19752 1907 1 3 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.245 1.859 19752 1908 1 3 . 1 1 89 89 CYS H H 89 9.404 9.404 9.617 -0.213 19752 1909 1 3 . 1 1 90 90 ILE N N 90 122.085 122.085 123.019 -0.934 19752 1910 1 3 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.514 0.719 19752 1911 1 3 . 1 1 90 90 ILE C C 90 176.210 176.210 174.569 1.641 19752 1912 1 3 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.814 0.745 19752 1913 1 3 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.087 2.402 19752 1914 1 3 . 1 1 90 90 ILE H H 90 9.773 9.773 9.377 0.396 19752 1915 1 3 . 1 1 91 91 GLN N N 91 125.884 125.884 128.981 -3.097 19752 1916 1 3 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.851 -0.232 19752 1917 1 3 . 1 1 91 91 GLN C C 91 176.019 176.019 174.595 1.424 19752 1918 1 3 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.240 1.982 19752 1919 1 3 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.252 -0.059 19752 1920 1 3 . 1 1 91 91 GLN H H 91 8.910 8.910 8.392 0.518 19752 1921 1 3 . 1 1 92 92 ALA N N 92 131.300 131.300 131.088 0.212 19752 1922 1 3 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.079 0.445 19752 1923 1 3 . 1 1 92 92 ALA C C 92 178.514 178.514 177.635 0.879 19752 1924 1 3 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.735 -0.269 19752 1925 1 3 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.306 -0.037 19752 1926 1 3 . 1 1 92 92 ALA H H 92 9.888 9.888 9.046 0.842 19752 1927 1 3 . 1 1 93 93 GLY N N 93 107.622 107.622 113.575 -5.953 19752 1928 1 3 . 1 1 93 93 GLY C C 93 174.796 174.796 173.585 1.211 19752 1929 1 3 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.166 1.304 19752 1930 1 3 . 1 1 93 93 GLY H H 93 9.675 9.675 8.660 1.015 19752 1931 1 3 . 1 1 94 94 HIS N N 94 118.233 118.233 119.937 -1.704 19752 1932 1 3 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.188 -0.362 19752 1933 1 3 . 1 1 94 94 HIS C C 94 173.575 173.575 172.649 0.926 19752 1934 1 3 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.918 0.302 19752 1935 1 3 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.279 -2.546 19752 1936 1 3 . 1 1 94 94 HIS H H 94 8.337 8.337 8.422 -0.085 19752 1937 1 3 . 1 1 95 95 ILE N N 95 118.964 118.964 121.389 -2.425 19752 1938 1 3 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.541 0.670 19752 1939 1 3 . 1 1 95 95 ILE C C 95 174.555 174.555 173.642 0.913 19752 1940 1 3 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.727 1.255 19752 1941 1 3 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.177 -1.394 19752 1942 1 3 . 1 1 95 95 ILE H H 95 8.116 8.116 8.033 0.083 19752 1943 1 3 . 1 1 96 96 TRP N N 96 127.092 127.092 129.581 -2.489 19752 1944 1 3 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.624 -0.147 19752 1945 1 3 . 1 1 96 96 TRP C C 96 176.216 176.216 176.165 0.051 19752 1946 1 3 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.974 -0.730 19752 1947 1 3 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.567 0.201 19752 1948 1 3 . 1 1 96 96 TRP H H 96 9.869 9.869 9.425 0.444 19752 1949 1 3 . 1 1 97 97 ILE N N 97 113.283 113.283 118.618 -5.335 19752 1950 1 3 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.156 0.316 19752 1951 1 3 . 1 1 97 97 ILE C C 97 175.278 175.278 175.482 -0.204 19752 1952 1 3 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.047 0.137 19752 1953 1 3 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.276 0.373 19752 1954 1 3 . 1 1 97 97 ILE H H 97 8.893 8.893 9.108 -0.215 19752 1955 1 3 . 1 1 98 98 GLY N N 98 109.684 109.684 113.631 -3.947 19752 1956 1 3 . 1 1 98 98 GLY C C 98 172.048 172.048 172.651 -0.603 19752 1957 1 3 . 1 1 98 98 GLY CA C 98 45.120 45.120 44.026 1.093 19752 1958 1 3 . 1 1 98 98 GLY H H 98 9.043 9.043 9.026 0.017 19752 1959 1 3 . 1 1 99 99 TYR N N 99 117.809 117.809 121.947 -4.138 19752 1960 1 3 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.152 -0.244 19752 1961 1 3 . 1 1 99 99 TYR C C 99 172.626 172.626 173.192 -0.566 19752 1962 1 3 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.768 1.491 19752 1963 1 3 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.645 -0.498 19752 1964 1 3 . 1 1 99 99 TYR H H 99 8.434 8.434 8.489 -0.055 19752 1965 1 3 . 1 1 100 100 ASN N N 100 117.139 117.139 119.230 -2.091 19752 1966 1 3 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.392 -0.106 19752 1967 1 3 . 1 1 100 100 ASN C C 100 175.315 175.315 174.962 0.353 19752 1968 1 3 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.485 -0.499 19752 1969 1 3 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.967 -1.592 19752 1970 1 3 . 1 1 100 100 ASN H H 100 8.844 8.844 8.790 0.054 19752 1971 1 3 . 1 1 101 101 ALA N N 101 126.218 126.218 127.229 -1.011 19752 1972 1 3 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.781 -0.144 19752 1973 1 3 . 1 1 101 101 ALA C C 101 179.095 179.095 178.795 0.300 19752 1974 1 3 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.893 0.319 19752 1975 1 3 . 1 1 101 101 ALA CB C 101 20.642 20.642 19.935 0.707 19752 1976 1 3 . 1 1 101 101 ALA H H 101 8.870 8.870 8.598 0.272 19752 1977 1 3 . 1 1 102 102 TYR N N 102 121.067 121.067 118.226 2.841 19752 1978 1 3 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.347 -0.008 19752 1979 1 3 . 1 1 102 102 TYR C C 102 175.986 175.986 176.392 -0.406 19752 1980 1 3 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.021 0.123 19752 1981 1 3 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.712 -0.059 19752 1982 1 3 . 1 1 102 102 TYR H H 102 8.720 8.720 8.436 0.284 19752 1983 1 3 . 1 1 103 103 ASN N N 103 115.289 115.289 118.847 -3.558 19752 1984 1 3 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.658 -0.246 19752 1985 1 3 . 1 1 103 103 ASN C C 103 175.963 175.963 176.199 -0.236 19752 1986 1 3 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.926 -0.680 19752 1987 1 3 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.262 -1.017 19752 1988 1 3 . 1 1 103 103 ASN H H 103 7.490 7.490 7.554 -0.064 19752 1989 1 3 . 1 1 104 104 GLY N N 104 107.204 107.204 106.986 0.218 19752 1990 1 3 . 1 1 104 104 GLY C C 104 174.620 174.620 173.678 0.942 19752 1991 1 3 . 1 1 104 104 GLY CA C 104 45.128 45.128 44.967 0.161 19752 1992 1 3 . 1 1 104 104 GLY H H 104 8.020 8.020 8.005 0.015 19752 1993 1 3 . 1 1 105 105 ASN N N 105 118.581 118.581 118.915 -0.334 19752 1994 1 3 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.614 -0.038 19752 1995 1 3 . 1 1 105 105 ASN C C 105 173.805 173.805 174.237 -0.432 19752 1996 1 3 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.215 0.815 19752 1997 1 3 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.015 -0.031 19752 1998 1 3 . 1 1 105 105 ASN H H 105 7.703 7.703 7.789 -0.086 19752 1999 1 3 . 1 1 106 106 ARG N N 106 123.191 123.191 123.972 -0.781 19752 2000 1 3 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.461 0.103 19752 2001 1 3 . 1 1 106 106 ARG C C 106 174.360 174.360 174.940 -0.580 19752 2002 1 3 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.610 -0.948 19752 2003 1 3 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.791 0.816 19752 2004 1 3 . 1 1 106 106 ARG H H 106 8.635 8.635 8.580 0.055 19752 2005 1 3 . 1 1 107 107 VAL N N 107 128.482 128.482 125.902 2.580 19752 2006 1 3 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.343 0.210 19752 2007 1 3 . 1 1 107 107 VAL C C 107 172.290 172.290 173.829 -1.539 19752 2008 1 3 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.100 0.584 19752 2009 1 3 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.998 0.479 19752 2010 1 3 . 1 1 107 107 VAL H H 107 8.668 8.668 8.449 0.219 19752 2011 1 3 . 1 1 108 108 TYR N N 108 119.055 119.055 123.052 -3.997 19752 2012 1 3 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.690 -0.197 19752 2013 1 3 . 1 1 108 108 TYR C C 108 175.215 175.215 175.126 0.089 19752 2014 1 3 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.125 0.447 19752 2015 1 3 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.651 0.784 19752 2016 1 3 . 1 1 108 108 TYR H H 108 8.944 8.944 9.200 -0.256 19752 2017 1 3 . 1 1 109 109 CYS N N 109 124.377 124.377 121.715 2.662 19752 2018 1 3 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.110 0.335 19752 2019 1 3 . 1 1 109 109 CYS C C 109 171.899 171.899 173.463 -1.564 19752 2020 1 3 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.578 -1.413 19752 2021 1 3 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.253 -1.450 19752 2022 1 3 . 1 1 109 109 CYS H H 109 9.675 9.675 8.838 0.837 19752 2023 1 3 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.235 0.944 19752 2024 1 3 . 1 1 110 110 PRO C C 110 175.490 175.490 176.968 -1.478 19752 2025 1 3 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.850 -1.252 19752 2026 1 3 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.687 -1.231 19752 2027 1 3 . 1 1 111 111 VAL N N 111 109.293 109.293 112.255 -2.962 19752 2028 1 3 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.480 0.929 19752 2029 1 3 . 1 1 111 111 VAL C C 111 173.598 173.598 174.088 -0.490 19752 2030 1 3 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.998 -3.905 19752 2031 1 3 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.051 3.470 19752 2032 1 3 . 1 1 111 111 VAL H H 111 8.382 8.382 7.486 0.896 19752 2033 1 3 . 1 1 112 112 ARG N N 112 110.825 110.825 115.226 -4.401 19752 2034 1 3 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.527 -1.369 19752 2035 1 3 . 1 1 112 112 ARG C C 112 175.480 175.480 174.849 0.631 19752 2036 1 3 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.795 0.654 19752 2037 1 3 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.354 -1.208 19752 2038 1 3 . 1 1 112 112 ARG H H 112 6.735 6.735 7.894 -1.159 19752 2039 1 3 . 1 1 113 113 THR N N 113 111.002 111.002 118.420 -7.418 19752 2040 1 3 . 1 1 113 113 THR HA H 113 4.238 4.238 3.682 0.556 19752 2041 1 3 . 1 1 113 113 THR C C 113 174.123 174.123 173.593 0.530 19752 2042 1 3 . 1 1 113 113 THR CA C 113 62.468 62.468 65.298 -2.830 19752 2043 1 3 . 1 1 113 113 THR CB C 113 70.502 70.502 68.897 1.605 19752 2044 1 3 . 1 1 113 113 THR H H 113 8.898 8.898 7.753 1.145 19752 2045 1 3 . 1 1 114 114 CYS N N 114 119.522 119.522 123.000 -3.478 19752 2046 1 3 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.198 -0.683 19752 2047 1 3 . 1 1 114 114 CYS C C 114 172.669 172.669 172.335 0.334 19752 2048 1 3 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.484 2.133 19752 2049 1 3 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.541 -0.996 19752 2050 1 3 . 1 1 114 114 CYS H H 114 7.936 7.936 8.347 -0.411 19752 2051 1 3 . 1 1 115 115 GLN N N 115 129.342 129.342 124.688 4.654 19752 2052 1 3 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.628 0.000 19752 2053 1 3 . 1 1 115 115 GLN C C 115 175.456 175.456 174.483 0.973 19752 2054 1 3 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.270 -0.028 19752 2055 1 3 . 1 1 115 115 GLN CB C 115 31.176 31.176 33.029 -1.853 19752 2056 1 3 . 1 1 115 115 GLN H H 115 7.963 7.963 8.617 -0.654 19752 2057 1 3 . 1 1 116 116 GLY N N 116 112.311 112.311 107.776 4.535 19752 2058 1 3 . 1 1 116 116 GLY C C 116 171.907 171.907 172.310 -0.403 19752 2059 1 3 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.870 -0.653 19752 2060 1 3 . 1 1 116 116 GLY H H 116 8.591 8.591 8.241 0.350 19752 2061 1 3 . 1 1 117 117 VAL N N 117 110.113 110.113 114.936 -4.823 19752 2062 1 3 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.463 -0.325 19752 2063 1 3 . 1 1 117 117 VAL C C 117 171.857 171.857 173.383 -1.526 19752 2064 1 3 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.781 0.176 19752 2065 1 3 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.151 -1.602 19752 2066 1 3 . 1 1 117 117 VAL H H 117 7.745 7.745 7.760 -0.015 19752 2067 1 3 . 1 1 118 118 PRO HA H 118 4.496 4.496 4.049 0.447 19752 2068 1 3 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.145 -0.655 19752 2069 1 3 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.962 -1.202 19752 2070 1 3 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.473 -0.097 19752 2071 1 3 . 1 1 119 119 PRO C C 119 176.006 176.006 176.458 -0.452 19752 2072 1 3 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.813 0.343 19752 2073 1 3 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.450 1.585 19752 2074 1 3 . 1 1 120 120 ASN N N 120 124.472 124.472 118.763 5.709 19752 2075 1 3 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.471 0.433 19752 2076 1 3 . 1 1 120 120 ASN C C 120 172.963 172.963 173.732 -0.769 19752 2077 1 3 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.737 0.378 19752 2078 1 3 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.470 0.757 19752 2079 1 3 . 1 1 120 120 ASN H H 120 8.414 8.414 7.739 0.675 19752 2080 1 3 . 1 1 121 121 HIS N N 121 120.276 120.276 120.737 -0.461 19752 2081 1 3 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.832 -0.405 19752 2082 1 3 . 1 1 121 121 HIS C C 121 174.788 174.788 174.510 0.278 19752 2083 1 3 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.508 2.192 19752 2084 1 3 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.533 0.175 19752 2085 1 3 . 1 1 121 121 HIS H H 121 8.591 8.591 7.720 0.871 19752 2086 1 3 . 1 1 122 122 ILE N N 122 120.474 120.474 125.206 -4.732 19752 2087 1 3 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.462 -0.117 19752 2088 1 3 . 1 1 122 122 ILE C C 122 174.718 174.718 174.294 0.424 19752 2089 1 3 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.746 -0.616 19752 2090 1 3 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.186 1.584 19752 2091 1 3 . 1 1 122 122 ILE H H 122 8.883 8.883 8.995 -0.112 19752 2092 1 3 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.717 -0.221 19752 2093 1 3 . 1 1 123 123 PRO C C 123 177.104 177.104 176.205 0.899 19752 2094 1 3 . 1 1 123 123 PRO CA C 123 62.607 62.607 62.109 0.498 19752 2095 1 3 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.619 -0.090 19752 2096 1 3 . 1 1 124 124 GLY N N 124 111.030 111.030 107.070 3.960 19752 2097 1 3 . 1 1 124 124 GLY C C 124 173.906 173.906 172.344 1.562 19752 2098 1 3 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.578 -1.462 19752 2099 1 3 . 1 1 124 124 GLY H H 124 8.553 8.553 7.816 0.737 19752 2100 1 3 . 1 1 125 125 VAL N N 125 121.916 121.916 121.008 0.908 19752 2101 1 3 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.740 0.180 19752 2102 1 3 . 1 1 125 125 VAL C C 125 176.148 176.148 175.279 0.869 19752 2103 1 3 . 1 1 125 125 VAL CA C 125 63.638 63.638 63.187 0.451 19752 2104 1 3 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.825 0.293 19752 2105 1 3 . 1 1 125 125 VAL H H 125 8.493 8.493 8.188 0.305 19752 2106 1 3 . 1 1 126 126 ALA N N 126 127.872 127.872 129.784 -1.912 19752 2107 1 3 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.518 -0.028 19752 2108 1 3 . 1 1 126 126 ALA C C 126 179.447 179.447 177.156 2.291 19752 2109 1 3 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.009 1.660 19752 2110 1 3 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.730 -0.102 19752 2111 1 3 . 1 1 126 126 ALA H H 126 8.835 8.835 8.348 0.487 19752 2112 1 3 . 1 1 127 127 TRP N N 127 121.928 121.928 122.139 -0.211 19752 2113 1 3 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.905 0.208 19752 2114 1 3 . 1 1 127 127 TRP C C 127 174.684 174.684 175.420 -0.736 19752 2115 1 3 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.918 -0.289 19752 2116 1 3 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.525 -2.371 19752 2117 1 3 . 1 1 127 127 TRP H H 127 8.555 8.555 8.861 -0.306 19752 2118 1 3 . 1 1 128 128 GLY N N 128 103.981 103.981 105.641 -1.660 19752 2119 1 3 . 1 1 128 128 GLY C C 128 171.694 171.694 172.378 -0.684 19752 2120 1 3 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.734 0.955 19752 2121 1 3 . 1 1 128 128 GLY H H 128 7.280 7.280 7.623 -0.343 19752 2122 1 3 . 1 1 129 129 VAL N N 129 119.078 119.078 120.024 -0.946 19752 2123 1 3 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.435 -0.092 19752 2124 1 3 . 1 1 129 129 VAL C C 129 173.255 173.255 174.937 -1.682 19752 2125 1 3 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.059 -0.399 19752 2126 1 3 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.422 1.129 19752 2127 1 3 . 1 1 129 129 VAL H H 129 8.274 8.274 8.432 -0.158 19752 2128 1 3 . 1 1 130 130 PHE N N 130 122.633 122.633 125.230 -2.597 19752 2129 1 3 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.288 0.256 19752 2130 1 3 . 1 1 130 130 PHE C C 130 175.771 175.771 175.879 -0.108 19752 2131 1 3 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.526 -0.350 19752 2132 1 3 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.449 -0.779 19752 2133 1 3 . 1 1 130 130 PHE H H 130 8.464 8.464 8.775 -0.311 19752 2134 1 4 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.761 0.005 19752 2135 1 4 . 1 1 2 2 ASN C C 2 174.930 174.930 174.834 0.096 19752 2136 1 4 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.855 -0.646 19752 2137 1 4 . 1 1 2 2 ASN CB C 2 39.213 39.213 39.057 0.156 19752 2138 1 4 . 1 1 3 3 ALA N N 3 124.643 124.643 127.235 -2.592 19752 2139 1 4 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.161 0.103 19752 2140 1 4 . 1 1 3 3 ALA C C 3 177.790 177.790 177.147 0.643 19752 2141 1 4 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.341 0.496 19752 2142 1 4 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.058 0.182 19752 2143 1 4 . 1 1 3 3 ALA H H 3 8.386 8.386 8.355 0.031 19752 2144 1 4 . 1 1 4 4 LYS N N 4 120.203 120.203 115.370 4.833 19752 2145 1 4 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.109 0.114 19752 2146 1 4 . 1 1 4 4 LYS C C 4 176.230 176.230 175.227 1.003 19752 2147 1 4 . 1 1 4 4 LYS CA C 4 56.534 56.534 57.130 -0.596 19752 2148 1 4 . 1 1 4 4 LYS CB C 4 32.811 32.811 30.954 1.857 19752 2149 1 4 . 1 1 4 4 LYS H H 4 8.300 8.300 8.644 -0.344 19752 2150 1 4 . 1 1 5 5 ASN N N 5 119.229 119.229 117.540 1.689 19752 2151 1 4 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.761 -0.093 19752 2152 1 4 . 1 1 5 5 ASN C C 5 175.033 175.033 173.325 1.708 19752 2153 1 4 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.688 0.438 19752 2154 1 4 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.822 -1.045 19752 2155 1 4 . 1 1 5 5 ASN H H 5 8.320 8.320 7.668 0.652 19752 2156 1 4 . 1 1 6 6 TYR N N 6 120.593 120.593 124.310 -3.717 19752 2157 1 4 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.737 -0.227 19752 2158 1 4 . 1 1 6 6 TYR C C 6 175.554 175.554 174.926 0.628 19752 2159 1 4 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.819 0.394 19752 2160 1 4 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.222 -0.621 19752 2161 1 4 . 1 1 6 6 TYR H H 6 8.087 8.087 8.522 -0.435 19752 2162 1 4 . 1 1 7 7 MET N N 7 121.477 121.477 122.938 -1.461 19752 2163 1 4 . 1 1 7 7 MET HA H 7 4.391 4.391 4.711 -0.320 19752 2164 1 4 . 1 1 7 7 MET C C 7 175.609 175.609 174.647 0.962 19752 2165 1 4 . 1 1 7 7 MET CA C 7 55.494 55.494 55.092 0.402 19752 2166 1 4 . 1 1 7 7 MET CB C 7 32.970 32.970 34.181 -1.211 19752 2167 1 4 . 1 1 7 7 MET H H 7 8.121 8.121 8.426 -0.305 19752 2168 1 4 . 1 1 8 8 ASP N N 8 121.704 121.704 127.939 -6.235 19752 2169 1 4 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.764 -0.209 19752 2170 1 4 . 1 1 8 8 ASP C C 8 176.344 176.344 175.036 1.308 19752 2171 1 4 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.094 0.377 19752 2172 1 4 . 1 1 8 8 ASP CB C 8 41.322 41.322 40.484 0.838 19752 2173 1 4 . 1 1 8 8 ASP H H 8 8.189 8.189 8.514 -0.325 19752 2174 1 4 . 1 1 9 9 LYS N N 9 122.168 122.168 123.970 -1.802 19752 2175 1 4 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.525 -0.218 19752 2176 1 4 . 1 1 9 9 LYS C C 9 177.267 177.267 176.011 1.256 19752 2177 1 4 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.887 -0.265 19752 2178 1 4 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.959 -0.194 19752 2179 1 4 . 1 1 9 9 LYS H H 9 8.335 8.335 7.702 0.633 19752 2180 1 4 . 1 1 10 10 GLY N N 10 109.505 109.505 112.153 -2.648 19752 2181 1 4 . 1 1 10 10 GLY C C 10 174.568 174.568 175.044 -0.476 19752 2182 1 4 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.309 0.274 19752 2183 1 4 . 1 1 10 10 GLY H H 10 8.497 8.497 8.528 -0.031 19752 2184 1 4 . 1 1 11 11 THR N N 11 113.312 113.312 119.326 -6.014 19752 2185 1 4 . 1 1 11 11 THR HA H 11 4.396 4.396 4.092 0.304 19752 2186 1 4 . 1 1 11 11 THR C C 11 174.719 174.719 174.283 0.436 19752 2187 1 4 . 1 1 11 11 THR CA C 11 61.779 61.779 64.372 -2.593 19752 2188 1 4 . 1 1 11 11 THR CB C 11 69.963 69.963 68.311 1.652 19752 2189 1 4 . 1 1 11 11 THR H H 11 8.081 8.081 7.743 0.338 19752 2190 1 4 . 1 1 12 12 SER N N 12 118.272 118.272 118.434 -0.162 19752 2191 1 4 . 1 1 12 12 SER HA H 12 4.499 4.499 4.140 0.359 19752 2192 1 4 . 1 1 12 12 SER C C 12 174.766 174.766 174.058 0.708 19752 2193 1 4 . 1 1 12 12 SER CA C 12 58.432 58.432 59.740 -1.308 19752 2194 1 4 . 1 1 12 12 SER CB C 12 63.986 63.986 62.614 1.372 19752 2195 1 4 . 1 1 12 12 SER H H 12 8.413 8.413 8.639 -0.226 19752 2196 1 4 . 1 1 13 13 SER N N 13 118.106 118.106 118.174 -0.068 19752 2197 1 4 . 1 1 13 13 SER HA H 13 4.518 4.518 4.449 0.069 19752 2198 1 4 . 1 1 13 13 SER C C 13 174.674 174.674 173.335 1.339 19752 2199 1 4 . 1 1 13 13 SER CA C 13 58.607 58.607 58.167 0.440 19752 2200 1 4 . 1 1 13 13 SER CB C 13 63.869 63.869 62.343 1.526 19752 2201 1 4 . 1 1 13 13 SER H H 13 8.414 8.414 7.864 0.550 19752 2202 1 4 . 1 1 14 14 SER N N 14 117.724 117.724 120.283 -2.559 19752 2203 1 4 . 1 1 14 14 SER HA H 14 4.535 4.535 4.671 -0.136 19752 2204 1 4 . 1 1 14 14 SER C C 14 174.743 174.743 173.587 1.156 19752 2205 1 4 . 1 1 14 14 SER CA C 14 58.630 58.630 58.218 0.412 19752 2206 1 4 . 1 1 14 14 SER CB C 14 63.798 63.798 65.940 -2.142 19752 2207 1 4 . 1 1 14 14 SER H H 14 8.379 8.379 7.811 0.568 19752 2208 1 4 . 1 1 15 15 THR N N 15 116.549 116.549 120.188 -3.639 19752 2209 1 4 . 1 1 15 15 THR HA H 15 4.336 4.336 4.406 -0.070 19752 2210 1 4 . 1 1 15 15 THR C C 15 174.310 174.310 173.941 0.369 19752 2211 1 4 . 1 1 15 15 THR CA C 15 62.161 62.161 62.017 0.144 19752 2212 1 4 . 1 1 15 15 THR CB C 15 69.603 69.603 68.501 1.102 19752 2213 1 4 . 1 1 15 15 THR H H 15 8.195 8.195 8.523 -0.328 19752 2214 1 4 . 1 1 16 16 VAL N N 16 123.406 123.406 122.235 1.171 19752 2215 1 4 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.167 -0.065 19752 2216 1 4 . 1 1 16 16 VAL C C 16 175.934 175.934 175.752 0.182 19752 2217 1 4 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.583 -0.070 19752 2218 1 4 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.949 -0.211 19752 2219 1 4 . 1 1 16 16 VAL H H 16 8.121 8.121 7.811 0.310 19752 2220 1 4 . 1 1 17 17 VAL N N 17 125.445 125.445 121.579 3.866 19752 2221 1 4 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.101 -0.016 19752 2222 1 4 . 1 1 17 17 VAL C C 17 176.102 176.102 175.426 0.676 19752 2223 1 4 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.233 0.046 19752 2224 1 4 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.927 0.750 19752 2225 1 4 . 1 1 17 17 VAL H H 17 8.293 8.293 8.096 0.197 19752 2226 1 4 . 1 1 18 18 LYS N N 18 126.281 126.281 128.062 -1.781 19752 2227 1 4 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.408 -0.066 19752 2228 1 4 . 1 1 18 18 LYS C C 18 176.138 176.138 175.297 0.841 19752 2229 1 4 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.373 0.832 19752 2230 1 4 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.751 1.395 19752 2231 1 4 . 1 1 18 18 LYS H H 18 8.478 8.478 8.615 -0.137 19752 2232 1 4 . 1 1 19 19 ASP N N 19 121.904 121.904 123.779 -1.875 19752 2233 1 4 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.631 -0.067 19752 2234 1 4 . 1 1 19 19 ASP C C 19 176.698 176.698 177.158 -0.460 19752 2235 1 4 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.144 0.241 19752 2236 1 4 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.949 -1.726 19752 2237 1 4 . 1 1 19 19 ASP H H 19 8.379 8.379 8.097 0.282 19752 2238 1 4 . 1 1 20 20 GLY N N 20 109.177 109.177 110.160 -0.983 19752 2239 1 4 . 1 1 20 20 GLY C C 20 174.374 174.374 174.306 0.068 19752 2240 1 4 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.045 0.593 19752 2241 1 4 . 1 1 20 20 GLY H H 20 8.390 8.390 8.657 -0.267 19752 2242 1 4 . 1 1 21 21 LYS N N 21 120.814 120.814 119.008 1.806 19752 2243 1 4 . 1 1 21 21 LYS HA H 21 4.389 4.389 3.986 0.403 19752 2244 1 4 . 1 1 21 21 LYS C C 21 177.041 177.041 175.694 1.347 19752 2245 1 4 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.485 0.091 19752 2246 1 4 . 1 1 21 21 LYS CB C 21 33.090 33.090 29.352 3.738 19752 2247 1 4 . 1 1 21 21 LYS H H 21 8.229 8.229 8.592 -0.363 19752 2248 1 4 . 1 1 22 22 THR N N 22 115.105 115.105 117.135 -2.030 19752 2249 1 4 . 1 1 22 22 THR HA H 22 4.393 4.393 4.431 -0.038 19752 2250 1 4 . 1 1 22 22 THR C C 22 174.607 174.607 174.750 -0.143 19752 2251 1 4 . 1 1 22 22 THR CA C 22 61.880 61.880 62.682 -0.802 19752 2252 1 4 . 1 1 22 22 THR CB C 22 69.736 69.736 68.866 0.870 19752 2253 1 4 . 1 1 22 22 THR H H 22 8.237 8.237 8.231 0.006 19752 2254 1 4 . 1 1 24 24 SER HA H 24 4.486 4.486 4.326 0.160 19752 2255 1 4 . 1 1 24 24 SER C C 24 174.299 174.299 174.059 0.240 19752 2256 1 4 . 1 1 24 24 SER CA C 24 58.547 58.547 59.419 -0.872 19752 2257 1 4 . 1 1 24 24 SER CB C 24 63.787 63.787 61.440 2.347 19752 2258 1 4 . 1 1 25 25 ALA N N 25 125.891 125.891 129.422 -3.531 19752 2259 1 4 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.072 0.304 19752 2260 1 4 . 1 1 25 25 ALA C C 25 177.660 177.660 176.795 0.865 19752 2261 1 4 . 1 1 25 25 ALA CA C 25 52.629 52.629 52.635 -0.006 19752 2262 1 4 . 1 1 25 25 ALA CB C 25 19.291 19.291 17.872 1.419 19752 2263 1 4 . 1 1 25 25 ALA H H 25 8.328 8.328 8.195 0.133 19752 2264 1 4 . 1 1 26 26 SER N N 26 115.155 115.155 119.004 -3.849 19752 2265 1 4 . 1 1 26 26 SER HA H 26 4.486 4.486 4.467 0.019 19752 2266 1 4 . 1 1 26 26 SER C C 26 174.291 174.291 175.031 -0.740 19752 2267 1 4 . 1 1 26 26 SER CA C 26 58.237 58.237 59.129 -0.892 19752 2268 1 4 . 1 1 26 26 SER CB C 26 63.917 63.917 63.588 0.329 19752 2269 1 4 . 1 1 26 26 SER H H 26 8.267 8.267 8.493 -0.226 19752 2270 1 4 . 1 1 27 27 THR N N 27 118.324 118.324 119.579 -1.255 19752 2271 1 4 . 1 1 27 27 THR HA H 27 4.627 4.627 4.234 0.393 19752 2272 1 4 . 1 1 27 27 THR C C 27 172.782 172.782 172.843 -0.061 19752 2273 1 4 . 1 1 27 27 THR CA C 27 59.748 59.748 62.343 -2.595 19752 2274 1 4 . 1 1 27 27 THR CB C 27 69.702 69.702 68.556 1.146 19752 2275 1 4 . 1 1 27 27 THR H H 27 8.164 8.164 8.500 -0.336 19752 2276 1 4 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.279 0.124 19752 2277 1 4 . 1 1 28 28 PRO C C 28 176.630 176.630 177.163 -0.533 19752 2278 1 4 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.502 -0.252 19752 2279 1 4 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.892 0.274 19752 2280 1 4 . 1 1 29 29 ALA N N 29 124.263 124.263 119.430 4.833 19752 2281 1 4 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.084 0.265 19752 2282 1 4 . 1 1 29 29 ALA C C 29 177.974 177.974 176.909 1.065 19752 2283 1 4 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.073 -0.418 19752 2284 1 4 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.748 1.529 19752 2285 1 4 . 1 1 29 29 ALA H H 29 8.432 8.432 7.808 0.624 19752 2286 1 4 . 1 1 30 30 THR N N 30 113.368 113.368 117.218 -3.850 19752 2287 1 4 . 1 1 30 30 THR HA H 30 4.281 4.281 4.421 -0.140 19752 2288 1 4 . 1 1 30 30 THR C C 30 174.257 174.257 174.335 -0.078 19752 2289 1 4 . 1 1 30 30 THR CA C 30 61.656 61.656 63.703 -2.047 19752 2290 1 4 . 1 1 30 30 THR CB C 30 69.801 69.801 68.379 1.421 19752 2291 1 4 . 1 1 30 30 THR H H 30 8.106 8.106 8.285 -0.179 19752 2292 1 4 . 1 1 31 31 ARG N N 31 124.700 124.700 126.472 -1.772 19752 2293 1 4 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.630 0.020 19752 2294 1 4 . 1 1 31 31 ARG C C 31 174.094 174.094 174.555 -0.461 19752 2295 1 4 . 1 1 31 31 ARG CA C 31 54.051 54.051 55.940 -1.889 19752 2296 1 4 . 1 1 31 31 ARG CB C 31 30.374 30.374 30.659 -0.285 19752 2297 1 4 . 1 1 31 31 ARG H H 31 8.318 8.318 8.144 0.174 19752 2298 1 4 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.379 0.120 19752 2299 1 4 . 1 1 32 32 PRO C C 32 177.065 177.065 176.266 0.799 19752 2300 1 4 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.852 0.207 19752 2301 1 4 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.884 0.273 19752 2302 1 4 . 1 1 33 33 VAL N N 33 120.890 120.890 120.194 0.696 19752 2303 1 4 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.106 0.102 19752 2304 1 4 . 1 1 33 33 VAL C C 33 176.668 176.668 176.369 0.299 19752 2305 1 4 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.932 -0.324 19752 2306 1 4 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.278 1.469 19752 2307 1 4 . 1 1 33 33 VAL H H 33 8.447 8.447 8.306 0.141 19752 2308 1 4 . 1 1 34 34 THR N N 34 116.709 116.709 118.766 -2.057 19752 2309 1 4 . 1 1 34 34 THR HA H 34 4.377 4.377 5.245 -0.868 19752 2310 1 4 . 1 1 34 34 THR C C 34 174.791 174.791 176.118 -1.327 19752 2311 1 4 . 1 1 34 34 THR CA C 34 61.700 61.700 60.684 1.016 19752 2312 1 4 . 1 1 34 34 THR CB C 34 69.697 69.697 68.831 0.866 19752 2313 1 4 . 1 1 34 34 THR H H 34 8.221 8.221 8.341 -0.120 19752 2314 1 4 . 1 1 35 35 GLY N N 35 111.182 111.182 111.258 -0.076 19752 2315 1 4 . 1 1 35 35 GLY C C 35 173.940 173.940 176.261 -2.321 19752 2316 1 4 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.997 -1.341 19752 2317 1 4 . 1 1 35 35 GLY H H 35 8.376 8.376 8.276 0.100 19752 2318 1 4 . 1 1 36 36 SER N N 36 116.779 116.779 116.776 0.003 19752 2319 1 4 . 1 1 36 36 SER HA H 36 4.456 4.456 4.355 0.101 19752 2320 1 4 . 1 1 36 36 SER C C 36 173.880 173.880 174.410 -0.530 19752 2321 1 4 . 1 1 36 36 SER CA C 36 58.255 58.255 59.221 -0.966 19752 2322 1 4 . 1 1 36 36 SER CB C 36 64.195 64.195 63.320 0.875 19752 2323 1 4 . 1 1 36 36 SER H H 36 8.456 8.456 8.381 0.075 19752 2324 1 4 . 1 1 37 37 TRP N N 37 121.744 121.744 121.560 0.184 19752 2325 1 4 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.886 -0.358 19752 2326 1 4 . 1 1 37 37 TRP C C 37 176.500 176.500 175.075 1.425 19752 2327 1 4 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.991 1.099 19752 2328 1 4 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.115 0.892 19752 2329 1 4 . 1 1 37 37 TRP H H 37 8.171 8.171 8.076 0.095 19752 2330 1 4 . 1 1 38 38 LYS N N 38 123.158 123.158 122.792 0.366 19752 2331 1 4 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.765 -0.139 19752 2332 1 4 . 1 1 38 38 LYS C C 38 172.839 172.839 174.990 -2.151 19752 2333 1 4 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.593 1.563 19752 2334 1 4 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.103 0.553 19752 2335 1 4 . 1 1 38 38 LYS H H 38 8.736 8.736 8.958 -0.222 19752 2336 1 4 . 1 1 39 39 LYS N N 39 121.526 121.526 124.735 -3.209 19752 2337 1 4 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.718 0.022 19752 2338 1 4 . 1 1 39 39 LYS C C 39 177.510 177.510 175.772 1.738 19752 2339 1 4 . 1 1 39 39 LYS CA C 39 54.316 54.316 54.552 -0.236 19752 2340 1 4 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.477 -0.120 19752 2341 1 4 . 1 1 39 39 LYS H H 39 8.123 8.123 8.348 -0.225 19752 2342 1 4 . 1 1 40 40 ASN N N 40 123.988 123.988 124.593 -0.605 19752 2343 1 4 . 1 1 40 40 ASN HA H 40 5.056 5.056 5.022 0.034 19752 2344 1 4 . 1 1 40 40 ASN C C 40 177.524 177.524 175.665 1.859 19752 2345 1 4 . 1 1 40 40 ASN CA C 40 50.840 50.840 51.618 -0.778 19752 2346 1 4 . 1 1 40 40 ASN CB C 40 39.156 39.156 39.909 -0.753 19752 2347 1 4 . 1 1 40 40 ASN H H 40 8.583 8.583 8.821 -0.238 19752 2348 1 4 . 1 1 41 41 GLN N N 41 116.529 116.529 115.639 0.890 19752 2349 1 4 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.136 -0.076 19752 2350 1 4 . 1 1 41 41 GLN C C 41 175.829 175.829 175.900 -0.071 19752 2351 1 4 . 1 1 41 41 GLN CA C 41 57.761 57.761 56.681 1.080 19752 2352 1 4 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.110 -0.163 19752 2353 1 4 . 1 1 41 41 GLN H H 41 8.856 8.856 8.718 0.138 19752 2354 1 4 . 1 1 42 42 TYR N N 42 119.255 119.255 117.713 1.542 19752 2355 1 4 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.641 0.010 19752 2356 1 4 . 1 1 42 42 TYR C C 42 175.782 175.782 176.458 -0.676 19752 2357 1 4 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.727 -0.607 19752 2358 1 4 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.643 -0.525 19752 2359 1 4 . 1 1 42 42 TYR H H 42 7.604 7.604 7.591 0.013 19752 2360 1 4 . 1 1 43 43 GLY N N 43 106.354 106.354 108.626 -2.272 19752 2361 1 4 . 1 1 43 43 GLY C C 43 173.297 173.297 174.601 -1.304 19752 2362 1 4 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.489 -0.327 19752 2363 1 4 . 1 1 43 43 GLY H H 43 7.993 7.993 7.678 0.315 19752 2364 1 4 . 1 1 44 44 THR N N 44 120.062 120.062 116.530 3.532 19752 2365 1 4 . 1 1 44 44 THR HA H 44 4.176 4.176 4.899 -0.723 19752 2366 1 4 . 1 1 44 44 THR C C 44 173.969 173.969 173.482 0.487 19752 2367 1 4 . 1 1 44 44 THR CA C 44 62.132 62.132 63.068 -0.936 19752 2368 1 4 . 1 1 44 44 THR CB C 44 68.989 68.989 70.963 -1.974 19752 2369 1 4 . 1 1 44 44 THR H H 44 7.781 7.781 8.027 -0.246 19752 2370 1 4 . 1 1 45 45 TRP N N 45 129.666 129.666 126.991 2.675 19752 2371 1 4 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.551 0.125 19752 2372 1 4 . 1 1 45 45 TRP C C 45 175.999 175.999 175.868 0.131 19752 2373 1 4 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.265 0.341 19752 2374 1 4 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.829 -0.188 19752 2375 1 4 . 1 1 45 45 TRP H H 45 8.041 8.041 8.749 -0.708 19752 2376 1 4 . 1 1 46 46 TYR N N 46 122.938 122.938 119.647 3.291 19752 2377 1 4 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.087 0.251 19752 2378 1 4 . 1 1 46 46 TYR C C 46 173.663 173.663 173.934 -0.271 19752 2379 1 4 . 1 1 46 46 TYR CA C 46 56.307 56.307 54.979 1.328 19752 2380 1 4 . 1 1 46 46 TYR CB C 46 44.125 44.125 41.997 2.128 19752 2381 1 4 . 1 1 46 46 TYR H H 46 10.329 10.329 9.481 0.848 19752 2382 1 4 . 1 1 47 47 LYS N N 47 118.986 118.986 119.848 -0.862 19752 2383 1 4 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.070 -0.299 19752 2384 1 4 . 1 1 47 47 LYS C C 47 172.462 172.462 174.179 -1.717 19752 2385 1 4 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.217 1.495 19752 2386 1 4 . 1 1 47 47 LYS CB C 47 34.118 34.118 33.674 0.444 19752 2387 1 4 . 1 1 47 47 LYS H H 47 8.923 8.923 9.115 -0.192 19752 2388 1 4 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.967 -0.165 19752 2389 1 4 . 1 1 48 48 PRO C C 48 176.747 176.747 176.087 0.660 19752 2390 1 4 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.343 0.322 19752 2391 1 4 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.580 0.459 19752 2392 1 4 . 1 1 49 49 GLU N N 49 125.285 125.285 122.634 2.651 19752 2393 1 4 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.354 -0.366 19752 2394 1 4 . 1 1 49 49 GLU C C 49 170.927 170.927 174.445 -3.518 19752 2395 1 4 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.347 1.523 19752 2396 1 4 . 1 1 49 49 GLU CB C 49 33.230 33.230 33.048 0.182 19752 2397 1 4 . 1 1 49 49 GLU H H 49 7.771 7.771 8.717 -0.946 19752 2398 1 4 . 1 1 50 50 ASN N N 50 122.328 122.328 124.550 -2.222 19752 2399 1 4 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.456 -0.058 19752 2400 1 4 . 1 1 50 50 ASN C C 50 173.648 173.648 173.869 -0.221 19752 2401 1 4 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.980 -1.294 19752 2402 1 4 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.289 0.357 19752 2403 1 4 . 1 1 50 50 ASN H H 50 8.148 8.148 8.547 -0.399 19752 2404 1 4 . 1 1 51 51 ALA N N 51 126.527 126.527 129.244 -2.717 19752 2405 1 4 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.529 -0.076 19752 2406 1 4 . 1 1 51 51 ALA C C 51 172.872 172.872 174.513 -1.641 19752 2407 1 4 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.037 0.560 19752 2408 1 4 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.796 -3.126 19752 2409 1 4 . 1 1 51 51 ALA H H 51 7.085 7.085 8.357 -1.272 19752 2410 1 4 . 1 1 52 52 THR N N 52 112.831 112.831 115.234 -2.403 19752 2411 1 4 . 1 1 52 52 THR HA H 52 5.167 5.167 4.826 0.341 19752 2412 1 4 . 1 1 52 52 THR C C 52 172.852 172.852 173.260 -0.408 19752 2413 1 4 . 1 1 52 52 THR CA C 52 62.232 62.232 61.847 0.385 19752 2414 1 4 . 1 1 52 52 THR CB C 52 71.068 71.068 70.536 0.532 19752 2415 1 4 . 1 1 52 52 THR H H 52 8.036 8.036 8.107 -0.071 19752 2416 1 4 . 1 1 53 53 PHE N N 53 127.883 127.883 126.577 1.306 19752 2417 1 4 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.171 0.152 19752 2418 1 4 . 1 1 53 53 PHE C C 53 172.928 172.928 172.831 0.097 19752 2419 1 4 . 1 1 53 53 PHE CA C 53 55.275 55.275 56.171 -0.896 19752 2420 1 4 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.434 -0.229 19752 2421 1 4 . 1 1 53 53 PHE H H 53 9.714 9.714 9.480 0.234 19752 2422 1 4 . 1 1 54 54 VAL N N 54 127.284 127.284 126.988 0.296 19752 2423 1 4 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.467 -0.147 19752 2424 1 4 . 1 1 54 54 VAL C C 54 175.842 175.842 173.983 1.859 19752 2425 1 4 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.277 -0.125 19752 2426 1 4 . 1 1 54 54 VAL CB C 54 31.738 31.738 33.084 -1.346 19752 2427 1 4 . 1 1 54 54 VAL H H 54 8.583 8.583 8.719 -0.136 19752 2428 1 4 . 1 1 55 55 ASN N N 55 125.723 125.723 126.261 -0.538 19752 2429 1 4 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.379 -0.219 19752 2430 1 4 . 1 1 55 55 ASN C C 55 176.333 176.333 175.906 0.427 19752 2431 1 4 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.326 0.263 19752 2432 1 4 . 1 1 55 55 ASN CB C 55 38.645 38.645 40.021 -1.376 19752 2433 1 4 . 1 1 55 55 ASN H H 55 8.970 8.970 8.443 0.527 19752 2434 1 4 . 1 1 56 56 GLY N N 56 114.389 114.389 112.896 1.493 19752 2435 1 4 . 1 1 56 56 GLY C C 56 173.882 173.882 174.610 -0.728 19752 2436 1 4 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.075 -1.399 19752 2437 1 4 . 1 1 56 56 GLY H H 56 8.360 8.360 8.421 -0.061 19752 2438 1 4 . 1 1 57 57 ASN N N 57 115.511 115.511 116.501 -0.990 19752 2439 1 4 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.859 -0.348 19752 2440 1 4 . 1 1 57 57 ASN C C 57 174.741 174.741 174.995 -0.254 19752 2441 1 4 . 1 1 57 57 ASN CA C 57 54.213 54.213 52.652 1.561 19752 2442 1 4 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.315 -1.686 19752 2443 1 4 . 1 1 57 57 ASN H H 57 8.149 8.149 7.912 0.237 19752 2444 1 4 . 1 1 58 58 GLN N N 58 118.128 118.128 119.679 -1.551 19752 2445 1 4 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.715 0.245 19752 2446 1 4 . 1 1 58 58 GLN C C 58 172.603 172.603 173.274 -0.671 19752 2447 1 4 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.166 -0.533 19752 2448 1 4 . 1 1 58 58 GLN CB C 58 30.568 30.568 31.585 -1.017 19752 2449 1 4 . 1 1 58 58 GLN H H 58 7.702 7.702 7.936 -0.234 19752 2450 1 4 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.669 0.271 19752 2451 1 4 . 1 1 59 59 PRO C C 59 176.506 176.506 176.212 0.294 19752 2452 1 4 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.909 -0.653 19752 2453 1 4 . 1 1 59 59 PRO CB C 59 32.660 32.660 31.837 0.823 19752 2454 1 4 . 1 1 60 60 ILE N N 60 120.974 120.974 126.657 -5.683 19752 2455 1 4 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.218 0.056 19752 2456 1 4 . 1 1 60 60 ILE C C 60 175.190 175.190 175.206 -0.016 19752 2457 1 4 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.096 0.591 19752 2458 1 4 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.672 2.074 19752 2459 1 4 . 1 1 60 60 ILE H H 60 8.126 8.126 9.005 -0.879 19752 2460 1 4 . 1 1 61 61 VAL N N 61 128.224 128.224 129.507 -1.283 19752 2461 1 4 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.267 -0.154 19752 2462 1 4 . 1 1 61 61 VAL C C 61 175.973 175.973 176.036 -0.063 19752 2463 1 4 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.155 2.121 19752 2464 1 4 . 1 1 61 61 VAL CB C 61 31.930 31.930 31.695 0.235 19752 2465 1 4 . 1 1 61 61 VAL H H 61 8.421 8.421 8.746 -0.325 19752 2466 1 4 . 1 1 62 62 THR N N 62 118.454 118.454 121.776 -3.322 19752 2467 1 4 . 1 1 62 62 THR HA H 62 5.021 5.021 4.837 0.184 19752 2468 1 4 . 1 1 62 62 THR C C 62 174.936 174.936 173.958 0.978 19752 2469 1 4 . 1 1 62 62 THR CA C 62 61.286 61.286 61.196 0.090 19752 2470 1 4 . 1 1 62 62 THR CB C 62 71.133 71.133 71.544 -0.411 19752 2471 1 4 . 1 1 62 62 THR H H 62 7.989 7.989 8.682 -0.693 19752 2472 1 4 . 1 1 63 63 ARG N N 63 118.225 118.225 118.638 -0.413 19752 2473 1 4 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.353 0.076 19752 2474 1 4 . 1 1 63 63 ARG C C 63 175.607 175.607 174.950 0.657 19752 2475 1 4 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.501 -0.854 19752 2476 1 4 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.899 -0.296 19752 2477 1 4 . 1 1 63 63 ARG H H 63 9.336 9.336 8.900 0.436 19752 2478 1 4 . 1 1 64 64 ILE N N 64 119.746 119.746 119.982 -0.236 19752 2479 1 4 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.590 -0.125 19752 2480 1 4 . 1 1 64 64 ILE C C 64 179.206 179.206 177.584 1.622 19752 2481 1 4 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.023 0.166 19752 2482 1 4 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.061 -0.813 19752 2483 1 4 . 1 1 64 64 ILE H H 64 8.741 8.741 8.417 0.324 19752 2484 1 4 . 1 1 65 65 GLY N N 65 116.059 116.059 117.037 -0.978 19752 2485 1 4 . 1 1 65 65 GLY C C 65 174.185 174.185 173.349 0.836 19752 2486 1 4 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.150 1.521 19752 2487 1 4 . 1 1 65 65 GLY H H 65 9.316 9.316 9.378 -0.062 19752 2488 1 4 . 1 1 66 66 SER N N 66 114.840 114.840 114.369 0.471 19752 2489 1 4 . 1 1 66 66 SER HA H 66 4.160 4.160 4.002 0.158 19752 2490 1 4 . 1 1 66 66 SER C C 66 170.281 170.281 171.289 -1.008 19752 2491 1 4 . 1 1 66 66 SER CA C 66 56.207 56.207 55.461 0.746 19752 2492 1 4 . 1 1 66 66 SER CB C 66 63.737 63.737 65.260 -1.524 19752 2493 1 4 . 1 1 66 66 SER H H 66 7.412 7.412 7.022 0.390 19752 2494 1 4 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.667 -1.028 19752 2495 1 4 . 1 1 67 67 PRO C C 67 170.030 170.030 174.115 -4.085 19752 2496 1 4 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.718 -2.047 19752 2497 1 4 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.143 -5.233 19752 2498 1 4 . 1 1 68 68 PHE N N 68 111.778 111.778 118.944 -7.166 19752 2499 1 4 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.407 0.086 19752 2500 1 4 . 1 1 68 68 PHE C C 68 177.055 177.055 174.771 2.284 19752 2501 1 4 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.808 -1.180 19752 2502 1 4 . 1 1 68 68 PHE CB C 68 43.358 43.358 40.772 2.586 19752 2503 1 4 . 1 1 68 68 PHE H H 68 6.610 6.610 6.971 -0.361 19752 2504 1 4 . 1 1 69 69 LEU N N 69 119.491 119.491 120.920 -1.429 19752 2505 1 4 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.540 -0.227 19752 2506 1 4 . 1 1 69 69 LEU C C 69 176.326 176.326 177.445 -1.119 19752 2507 1 4 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.960 -0.729 19752 2508 1 4 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.893 -1.023 19752 2509 1 4 . 1 1 69 69 LEU H H 69 8.388 8.388 8.385 0.003 19752 2510 1 4 . 1 1 70 70 ASN N N 70 112.229 112.229 116.792 -4.563 19752 2511 1 4 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.722 0.120 19752 2512 1 4 . 1 1 70 70 ASN C C 70 175.620 175.620 174.188 1.432 19752 2513 1 4 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.769 -1.101 19752 2514 1 4 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.629 0.024 19752 2515 1 4 . 1 1 70 70 ASN H H 70 7.675 7.675 8.428 -0.753 19752 2516 1 4 . 1 1 71 71 ALA N N 71 123.955 123.955 123.095 0.860 19752 2517 1 4 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.550 0.009 19752 2518 1 4 . 1 1 71 71 ALA C C 71 174.274 174.274 175.175 -0.901 19752 2519 1 4 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.063 1.407 19752 2520 1 4 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.770 -0.927 19752 2521 1 4 . 1 1 71 71 ALA H H 71 7.152 7.152 7.382 -0.230 19752 2522 1 4 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.271 0.142 19752 2523 1 4 . 1 1 72 72 PRO C C 72 176.342 176.342 175.812 0.530 19752 2524 1 4 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.462 -0.343 19752 2525 1 4 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.788 0.368 19752 2526 1 4 . 1 1 73 73 VAL N N 73 121.078 121.078 119.049 2.029 19752 2527 1 4 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.154 0.130 19752 2528 1 4 . 1 1 73 73 VAL C C 73 177.864 177.864 177.300 0.564 19752 2529 1 4 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.835 3.442 19752 2530 1 4 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.489 -0.765 19752 2531 1 4 . 1 1 73 73 VAL H H 73 8.328 8.328 8.111 0.217 19752 2532 1 4 . 1 1 74 74 GLY N N 74 114.118 114.118 109.364 4.754 19752 2533 1 4 . 1 1 74 74 GLY C C 74 173.963 173.963 173.630 0.333 19752 2534 1 4 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.844 -0.059 19752 2535 1 4 . 1 1 74 74 GLY H H 74 8.781 8.781 8.803 -0.022 19752 2536 1 4 . 1 1 75 75 GLY N N 75 107.324 107.324 108.354 -1.030 19752 2537 1 4 . 1 1 75 75 GLY C C 75 173.460 173.460 172.297 1.163 19752 2538 1 4 . 1 1 75 75 GLY CA C 75 43.748 43.748 45.288 -1.540 19752 2539 1 4 . 1 1 75 75 GLY H H 75 7.278 7.278 7.980 -0.702 19752 2540 1 4 . 1 1 76 76 ASN N N 76 119.682 119.682 123.100 -3.418 19752 2541 1 4 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.143 0.279 19752 2542 1 4 . 1 1 76 76 ASN C C 76 175.760 175.760 174.553 1.207 19752 2543 1 4 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.675 -0.397 19752 2544 1 4 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.014 -1.801 19752 2545 1 4 . 1 1 76 76 ASN H H 76 8.797 8.797 8.599 0.198 19752 2546 1 4 . 1 1 77 77 LEU N N 77 129.545 129.545 127.774 1.771 19752 2547 1 4 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.929 -0.058 19752 2548 1 4 . 1 1 77 77 LEU C C 77 174.374 174.374 174.451 -0.077 19752 2549 1 4 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.250 0.964 19752 2550 1 4 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.931 -0.860 19752 2551 1 4 . 1 1 77 77 LEU H H 77 10.083 10.083 9.185 0.898 19752 2552 1 4 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.578 -0.249 19752 2553 1 4 . 1 1 78 78 PRO C C 78 177.553 177.553 175.994 1.559 19752 2554 1 4 . 1 1 78 78 PRO CA C 78 62.581 62.581 61.939 0.642 19752 2555 1 4 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.907 -0.186 19752 2556 1 4 . 1 1 79 79 ALA N N 79 125.294 125.294 122.977 2.317 19752 2557 1 4 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.208 0.052 19752 2558 1 4 . 1 1 79 79 ALA C C 79 179.984 179.984 178.168 1.816 19752 2559 1 4 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.908 0.270 19752 2560 1 4 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.870 -0.624 19752 2561 1 4 . 1 1 79 79 ALA H H 79 8.585 8.585 8.188 0.397 19752 2562 1 4 . 1 1 80 80 GLY N N 80 110.970 110.970 110.707 0.263 19752 2563 1 4 . 1 1 80 80 GLY C C 80 173.499 173.499 173.887 -0.388 19752 2564 1 4 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.801 1.153 19752 2565 1 4 . 1 1 80 80 GLY H H 80 8.004 8.004 8.674 -0.670 19752 2566 1 4 . 1 1 81 81 ALA N N 81 122.249 122.249 123.685 -1.436 19752 2567 1 4 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.564 -0.313 19752 2568 1 4 . 1 1 81 81 ALA C C 81 175.709 175.709 176.182 -0.473 19752 2569 1 4 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.731 1.034 19752 2570 1 4 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.880 0.974 19752 2571 1 4 . 1 1 81 81 ALA H H 81 7.363 7.363 7.323 0.040 19752 2572 1 4 . 1 1 82 82 THR N N 82 114.980 114.980 119.596 -4.616 19752 2573 1 4 . 1 1 82 82 THR HA H 82 5.171 5.171 4.937 0.234 19752 2574 1 4 . 1 1 82 82 THR C C 82 174.618 174.618 173.551 1.067 19752 2575 1 4 . 1 1 82 82 THR CA C 82 62.118 62.118 62.147 -0.028 19752 2576 1 4 . 1 1 82 82 THR CB C 82 70.555 70.555 69.015 1.540 19752 2577 1 4 . 1 1 82 82 THR H H 82 8.181 8.181 8.389 -0.208 19752 2578 1 4 . 1 1 83 83 ILE N N 83 127.480 127.480 129.036 -1.556 19752 2579 1 4 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.354 0.050 19752 2580 1 4 . 1 1 83 83 ILE C C 83 173.926 173.926 174.156 -0.230 19752 2581 1 4 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.696 -0.357 19752 2582 1 4 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.206 1.022 19752 2583 1 4 . 1 1 83 83 ILE H H 83 9.627 9.627 9.317 0.310 19752 2584 1 4 . 1 1 84 84 VAL N N 84 128.246 128.246 128.178 0.068 19752 2585 1 4 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.235 0.438 19752 2586 1 4 . 1 1 84 84 VAL C C 84 175.501 175.501 174.545 0.956 19752 2587 1 4 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.556 1.579 19752 2588 1 4 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.757 -1.101 19752 2589 1 4 . 1 1 84 84 VAL H H 84 8.059 8.059 8.502 -0.443 19752 2590 1 4 . 1 1 85 85 TYR N N 85 126.862 126.862 124.266 2.596 19752 2591 1 4 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.953 0.472 19752 2592 1 4 . 1 1 85 85 TYR C C 85 174.273 174.273 173.971 0.302 19752 2593 1 4 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.762 0.049 19752 2594 1 4 . 1 1 85 85 TYR CB C 85 42.276 42.276 41.243 1.033 19752 2595 1 4 . 1 1 85 85 TYR H H 85 8.840 8.840 8.775 0.065 19752 2596 1 4 . 1 1 86 86 ASP N N 86 115.086 115.086 116.885 -1.799 19752 2597 1 4 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.943 0.525 19752 2598 1 4 . 1 1 86 86 ASP C C 86 177.943 177.943 175.823 2.120 19752 2599 1 4 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.077 0.126 19752 2600 1 4 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.600 -0.025 19752 2601 1 4 . 1 1 86 86 ASP H H 86 8.843 8.843 8.902 -0.059 19752 2602 1 4 . 1 1 87 87 GLU N N 87 124.208 124.208 121.000 3.208 19752 2603 1 4 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.205 -0.090 19752 2604 1 4 . 1 1 87 87 GLU C C 87 173.613 173.613 174.378 -0.765 19752 2605 1 4 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.401 0.371 19752 2606 1 4 . 1 1 87 87 GLU CB C 87 35.507 35.507 32.959 2.548 19752 2607 1 4 . 1 1 87 87 GLU H H 87 8.121 8.121 8.080 0.041 19752 2608 1 4 . 1 1 88 88 VAL N N 88 121.754 121.754 127.024 -5.270 19752 2609 1 4 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.708 1.006 19752 2610 1 4 . 1 1 88 88 VAL C C 88 175.480 175.480 175.017 0.463 19752 2611 1 4 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.956 -1.186 19752 2612 1 4 . 1 1 88 88 VAL CB C 88 35.644 35.644 32.496 3.148 19752 2613 1 4 . 1 1 88 88 VAL H H 88 8.822 8.822 9.230 -0.408 19752 2614 1 4 . 1 1 89 89 CYS N N 89 118.234 118.234 127.297 -9.063 19752 2615 1 4 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.720 0.579 19752 2616 1 4 . 1 1 89 89 CYS C C 89 174.126 174.126 174.419 -0.293 19752 2617 1 4 . 1 1 89 89 CYS CA C 89 56.085 56.085 57.722 -1.637 19752 2618 1 4 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.235 1.869 19752 2619 1 4 . 1 1 89 89 CYS H H 89 9.404 9.404 9.619 -0.215 19752 2620 1 4 . 1 1 90 90 ILE N N 90 122.085 122.085 125.551 -3.466 19752 2621 1 4 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.705 0.528 19752 2622 1 4 . 1 1 90 90 ILE C C 90 176.210 176.210 174.612 1.598 19752 2623 1 4 . 1 1 90 90 ILE CA C 90 61.559 61.559 61.083 0.476 19752 2624 1 4 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.535 2.954 19752 2625 1 4 . 1 1 90 90 ILE H H 90 9.773 9.773 9.530 0.243 19752 2626 1 4 . 1 1 91 91 GLN N N 91 125.884 125.884 128.038 -2.154 19752 2627 1 4 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.810 -0.191 19752 2628 1 4 . 1 1 91 91 GLN C C 91 176.019 176.019 174.568 1.451 19752 2629 1 4 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.411 1.811 19752 2630 1 4 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.469 -1.276 19752 2631 1 4 . 1 1 91 91 GLN H H 91 8.910 8.910 8.248 0.662 19752 2632 1 4 . 1 1 92 92 ALA N N 92 131.300 131.300 129.126 2.174 19752 2633 1 4 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.072 0.452 19752 2634 1 4 . 1 1 92 92 ALA C C 92 178.514 178.514 177.495 1.019 19752 2635 1 4 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.105 -0.639 19752 2636 1 4 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.385 -0.116 19752 2637 1 4 . 1 1 92 92 ALA H H 92 9.888 9.888 8.969 0.919 19752 2638 1 4 . 1 1 93 93 GLY N N 93 107.622 107.622 112.566 -4.944 19752 2639 1 4 . 1 1 93 93 GLY C C 93 174.796 174.796 173.688 1.108 19752 2640 1 4 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.961 1.509 19752 2641 1 4 . 1 1 93 93 GLY H H 93 9.675 9.675 8.381 1.294 19752 2642 1 4 . 1 1 94 94 HIS N N 94 118.233 118.233 119.332 -1.099 19752 2643 1 4 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.309 -0.483 19752 2644 1 4 . 1 1 94 94 HIS C C 94 173.575 173.575 173.009 0.566 19752 2645 1 4 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.115 1.105 19752 2646 1 4 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.343 -2.610 19752 2647 1 4 . 1 1 94 94 HIS H H 94 8.337 8.337 8.429 -0.092 19752 2648 1 4 . 1 1 95 95 ILE N N 95 118.964 118.964 121.374 -2.410 19752 2649 1 4 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.828 0.383 19752 2650 1 4 . 1 1 95 95 ILE C C 95 174.555 174.555 173.788 0.767 19752 2651 1 4 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.495 1.487 19752 2652 1 4 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.253 -1.470 19752 2653 1 4 . 1 1 95 95 ILE H H 95 8.116 8.116 7.790 0.326 19752 2654 1 4 . 1 1 96 96 TRP N N 96 127.092 127.092 129.536 -2.444 19752 2655 1 4 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.385 0.092 19752 2656 1 4 . 1 1 96 96 TRP C C 96 176.216 176.216 176.217 -0.001 19752 2657 1 4 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.208 -0.965 19752 2658 1 4 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.236 0.531 19752 2659 1 4 . 1 1 96 96 TRP H H 96 9.869 9.869 9.408 0.461 19752 2660 1 4 . 1 1 97 97 ILE N N 97 113.283 113.283 118.810 -5.527 19752 2661 1 4 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.264 0.208 19752 2662 1 4 . 1 1 97 97 ILE C C 97 175.278 175.278 175.461 -0.183 19752 2663 1 4 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.016 0.168 19752 2664 1 4 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.041 0.608 19752 2665 1 4 . 1 1 97 97 ILE H H 97 8.893 8.893 9.091 -0.198 19752 2666 1 4 . 1 1 98 98 GLY N N 98 109.684 109.684 114.337 -4.653 19752 2667 1 4 . 1 1 98 98 GLY C C 98 172.048 172.048 172.242 -0.194 19752 2668 1 4 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.392 1.728 19752 2669 1 4 . 1 1 98 98 GLY H H 98 9.043 9.043 9.247 -0.204 19752 2670 1 4 . 1 1 99 99 TYR N N 99 117.809 117.809 120.082 -2.273 19752 2671 1 4 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.461 -0.553 19752 2672 1 4 . 1 1 99 99 TYR C C 99 172.626 172.626 173.208 -0.582 19752 2673 1 4 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.992 1.268 19752 2674 1 4 . 1 1 99 99 TYR CB C 99 40.147 40.147 41.177 -1.030 19752 2675 1 4 . 1 1 99 99 TYR H H 99 8.434 8.434 8.550 -0.116 19752 2676 1 4 . 1 1 100 100 ASN N N 100 117.139 117.139 121.220 -4.081 19752 2677 1 4 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.158 0.128 19752 2678 1 4 . 1 1 100 100 ASN C C 100 175.315 175.315 174.807 0.508 19752 2679 1 4 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.931 0.055 19752 2680 1 4 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.062 -0.687 19752 2681 1 4 . 1 1 100 100 ASN H H 100 8.844 8.844 8.740 0.104 19752 2682 1 4 . 1 1 101 101 ALA N N 101 126.218 126.218 129.360 -3.142 19752 2683 1 4 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.590 0.047 19752 2684 1 4 . 1 1 101 101 ALA C C 101 179.095 179.095 178.346 0.749 19752 2685 1 4 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.438 0.774 19752 2686 1 4 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.342 0.300 19752 2687 1 4 . 1 1 101 101 ALA H H 101 8.870 8.870 8.816 0.054 19752 2688 1 4 . 1 1 102 102 TYR N N 102 121.067 121.067 117.994 3.073 19752 2689 1 4 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.245 0.094 19752 2690 1 4 . 1 1 102 102 TYR C C 102 175.986 175.986 176.477 -0.491 19752 2691 1 4 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.034 0.110 19752 2692 1 4 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.951 -0.298 19752 2693 1 4 . 1 1 102 102 TYR H H 102 8.720 8.720 8.678 0.042 19752 2694 1 4 . 1 1 103 103 ASN N N 103 115.289 115.289 118.022 -2.733 19752 2695 1 4 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.702 -0.290 19752 2696 1 4 . 1 1 103 103 ASN C C 103 175.963 175.963 176.152 -0.189 19752 2697 1 4 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.903 -0.657 19752 2698 1 4 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.988 -1.743 19752 2699 1 4 . 1 1 103 103 ASN H H 103 7.490 7.490 7.552 -0.062 19752 2700 1 4 . 1 1 104 104 GLY N N 104 107.204 107.204 107.194 0.010 19752 2701 1 4 . 1 1 104 104 GLY C C 104 174.620 174.620 173.234 1.386 19752 2702 1 4 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.302 -0.174 19752 2703 1 4 . 1 1 104 104 GLY H H 104 8.020 8.020 8.389 -0.369 19752 2704 1 4 . 1 1 105 105 ASN N N 105 118.581 118.581 117.282 1.299 19752 2705 1 4 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.634 -0.058 19752 2706 1 4 . 1 1 105 105 ASN C C 105 173.805 173.805 174.065 -0.260 19752 2707 1 4 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.445 1.585 19752 2708 1 4 . 1 1 105 105 ASN CB C 105 38.984 38.984 38.962 0.022 19752 2709 1 4 . 1 1 105 105 ASN H H 105 7.703 7.703 7.588 0.115 19752 2710 1 4 . 1 1 106 106 ARG N N 106 123.191 123.191 124.278 -1.087 19752 2711 1 4 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.481 0.083 19752 2712 1 4 . 1 1 106 106 ARG C C 106 174.360 174.360 175.110 -0.750 19752 2713 1 4 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.396 -0.734 19752 2714 1 4 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.660 0.947 19752 2715 1 4 . 1 1 106 106 ARG H H 106 8.635 8.635 8.776 -0.141 19752 2716 1 4 . 1 1 107 107 VAL N N 107 128.482 128.482 127.302 1.180 19752 2717 1 4 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.536 0.017 19752 2718 1 4 . 1 1 107 107 VAL C C 107 172.290 172.290 174.287 -1.997 19752 2719 1 4 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.555 -0.871 19752 2720 1 4 . 1 1 107 107 VAL CB C 107 34.477 34.477 32.684 1.793 19752 2721 1 4 . 1 1 107 107 VAL H H 107 8.668 8.668 8.748 -0.080 19752 2722 1 4 . 1 1 108 108 TYR N N 108 119.055 119.055 125.178 -6.123 19752 2723 1 4 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.545 -0.052 19752 2724 1 4 . 1 1 108 108 TYR C C 108 175.215 175.215 175.144 0.071 19752 2725 1 4 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.319 0.253 19752 2726 1 4 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.302 1.133 19752 2727 1 4 . 1 1 108 108 TYR H H 108 8.944 8.944 9.292 -0.348 19752 2728 1 4 . 1 1 109 109 CYS N N 109 124.377 124.377 122.317 2.060 19752 2729 1 4 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.103 0.342 19752 2730 1 4 . 1 1 109 109 CYS C C 109 171.899 171.899 173.558 -1.659 19752 2731 1 4 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.396 -1.231 19752 2732 1 4 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.519 -1.716 19752 2733 1 4 . 1 1 109 109 CYS H H 109 9.675 9.675 8.996 0.679 19752 2734 1 4 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.098 1.081 19752 2735 1 4 . 1 1 110 110 PRO C C 110 175.490 175.490 177.165 -1.675 19752 2736 1 4 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.330 -1.732 19752 2737 1 4 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.700 -1.244 19752 2738 1 4 . 1 1 111 111 VAL N N 111 109.293 109.293 111.160 -1.867 19752 2739 1 4 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.533 0.876 19752 2740 1 4 . 1 1 111 111 VAL C C 111 173.598 173.598 173.741 -0.143 19752 2741 1 4 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.879 -3.785 19752 2742 1 4 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.719 3.802 19752 2743 1 4 . 1 1 111 111 VAL H H 111 8.382 8.382 7.670 0.712 19752 2744 1 4 . 1 1 112 112 ARG N N 112 110.825 110.825 114.929 -4.104 19752 2745 1 4 . 1 1 112 112 ARG HA H 112 3.158 3.158 3.950 -0.792 19752 2746 1 4 . 1 1 112 112 ARG C C 112 175.480 175.480 174.500 0.980 19752 2747 1 4 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.855 0.594 19752 2748 1 4 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.142 -0.996 19752 2749 1 4 . 1 1 112 112 ARG H H 112 6.735 6.735 7.754 -1.019 19752 2750 1 4 . 1 1 113 113 THR N N 113 111.002 111.002 116.894 -5.892 19752 2751 1 4 . 1 1 113 113 THR HA H 113 4.238 4.238 4.713 -0.475 19752 2752 1 4 . 1 1 113 113 THR C C 113 174.123 174.123 174.279 -0.156 19752 2753 1 4 . 1 1 113 113 THR CA C 113 62.468 62.468 64.093 -1.625 19752 2754 1 4 . 1 1 113 113 THR CB C 113 70.502 70.502 69.202 1.300 19752 2755 1 4 . 1 1 113 113 THR H H 113 8.898 8.898 7.694 1.204 19752 2756 1 4 . 1 1 114 114 CYS N N 114 119.522 119.522 125.731 -6.209 19752 2757 1 4 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.429 -0.914 19752 2758 1 4 . 1 1 114 114 CYS C C 114 172.669 172.669 172.299 0.370 19752 2759 1 4 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.735 1.882 19752 2760 1 4 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.443 -0.898 19752 2761 1 4 . 1 1 114 114 CYS H H 114 7.936 7.936 8.769 -0.833 19752 2762 1 4 . 1 1 115 115 GLN N N 115 129.342 129.342 125.052 4.290 19752 2763 1 4 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.672 -0.044 19752 2764 1 4 . 1 1 115 115 GLN C C 115 175.456 175.456 175.129 0.327 19752 2765 1 4 . 1 1 115 115 GLN CA C 115 54.242 54.242 53.884 0.358 19752 2766 1 4 . 1 1 115 115 GLN CB C 115 31.176 31.176 33.092 -1.916 19752 2767 1 4 . 1 1 115 115 GLN H H 115 7.963 7.963 8.902 -0.939 19752 2768 1 4 . 1 1 116 116 GLY N N 116 112.311 112.311 107.852 4.459 19752 2769 1 4 . 1 1 116 116 GLY C C 116 171.907 171.907 172.208 -0.301 19752 2770 1 4 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.848 -0.631 19752 2771 1 4 . 1 1 116 116 GLY H H 116 8.591 8.591 8.198 0.393 19752 2772 1 4 . 1 1 117 117 VAL N N 117 110.113 110.113 115.386 -5.273 19752 2773 1 4 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.457 -0.319 19752 2774 1 4 . 1 1 117 117 VAL C C 117 171.857 171.857 173.290 -1.433 19752 2775 1 4 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.915 0.042 19752 2776 1 4 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.657 -1.108 19752 2777 1 4 . 1 1 117 117 VAL H H 117 7.745 7.745 7.612 0.133 19752 2778 1 4 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.892 0.604 19752 2779 1 4 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.046 -0.556 19752 2780 1 4 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.846 -1.086 19752 2781 1 4 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.995 0.381 19752 2782 1 4 . 1 1 119 119 PRO C C 119 176.006 176.006 176.169 -0.163 19752 2783 1 4 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.827 1.329 19752 2784 1 4 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.458 1.577 19752 2785 1 4 . 1 1 120 120 ASN N N 120 124.472 124.472 120.241 4.231 19752 2786 1 4 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.630 0.274 19752 2787 1 4 . 1 1 120 120 ASN C C 120 172.963 172.963 173.870 -0.907 19752 2788 1 4 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.430 -0.315 19752 2789 1 4 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.459 0.768 19752 2790 1 4 . 1 1 120 120 ASN H H 120 8.414 8.414 7.790 0.624 19752 2791 1 4 . 1 1 121 121 HIS N N 121 120.276 120.276 119.243 1.033 19752 2792 1 4 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.066 -0.639 19752 2793 1 4 . 1 1 121 121 HIS C C 121 174.788 174.788 174.103 0.685 19752 2794 1 4 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.623 2.078 19752 2795 1 4 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.262 -0.555 19752 2796 1 4 . 1 1 121 121 HIS H H 121 8.591 8.591 7.750 0.841 19752 2797 1 4 . 1 1 122 122 ILE N N 122 120.474 120.474 125.094 -4.620 19752 2798 1 4 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.458 -0.113 19752 2799 1 4 . 1 1 122 122 ILE C C 122 174.718 174.718 174.061 0.657 19752 2800 1 4 . 1 1 122 122 ILE CA C 122 58.130 58.130 57.133 0.997 19752 2801 1 4 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.509 2.261 19752 2802 1 4 . 1 1 122 122 ILE H H 122 8.883 8.883 9.194 -0.311 19752 2803 1 4 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.191 -0.695 19752 2804 1 4 . 1 1 123 123 PRO C C 123 177.104 177.104 176.551 0.553 19752 2805 1 4 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.698 0.909 19752 2806 1 4 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.637 -0.108 19752 2807 1 4 . 1 1 124 124 GLY N N 124 111.030 111.030 110.927 0.103 19752 2808 1 4 . 1 1 124 124 GLY C C 124 173.906 173.906 173.663 0.243 19752 2809 1 4 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.691 -0.574 19752 2810 1 4 . 1 1 124 124 GLY H H 124 8.553 8.553 8.642 -0.089 19752 2811 1 4 . 1 1 125 125 VAL N N 125 121.916 121.916 122.978 -1.062 19752 2812 1 4 . 1 1 125 125 VAL HA H 125 3.920 3.920 4.018 -0.098 19752 2813 1 4 . 1 1 125 125 VAL C C 125 176.148 176.148 174.899 1.249 19752 2814 1 4 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.011 1.627 19752 2815 1 4 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.412 -0.294 19752 2816 1 4 . 1 1 125 125 VAL H H 125 8.493 8.493 8.188 0.305 19752 2817 1 4 . 1 1 126 126 ALA N N 126 127.872 127.872 129.214 -1.342 19752 2818 1 4 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.284 0.206 19752 2819 1 4 . 1 1 126 126 ALA C C 126 179.447 179.447 177.198 2.249 19752 2820 1 4 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.872 1.797 19752 2821 1 4 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.384 0.244 19752 2822 1 4 . 1 1 126 126 ALA H H 126 8.835 8.835 8.421 0.414 19752 2823 1 4 . 1 1 127 127 TRP N N 127 121.928 121.928 123.096 -1.168 19752 2824 1 4 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.850 0.263 19752 2825 1 4 . 1 1 127 127 TRP C C 127 174.684 174.684 175.478 -0.794 19752 2826 1 4 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.613 0.016 19752 2827 1 4 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.022 -1.868 19752 2828 1 4 . 1 1 127 127 TRP H H 127 8.555 8.555 8.733 -0.178 19752 2829 1 4 . 1 1 128 128 GLY N N 128 103.981 103.981 105.718 -1.737 19752 2830 1 4 . 1 1 128 128 GLY C C 128 171.694 171.694 172.372 -0.678 19752 2831 1 4 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.767 0.922 19752 2832 1 4 . 1 1 128 128 GLY H H 128 7.280 7.280 7.574 -0.294 19752 2833 1 4 . 1 1 129 129 VAL N N 129 119.078 119.078 120.180 -1.102 19752 2834 1 4 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.383 -0.040 19752 2835 1 4 . 1 1 129 129 VAL C C 129 173.255 173.255 174.758 -1.503 19752 2836 1 4 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.492 0.169 19752 2837 1 4 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.575 0.976 19752 2838 1 4 . 1 1 129 129 VAL H H 129 8.274 8.274 8.519 -0.245 19752 2839 1 4 . 1 1 130 130 PHE N N 130 122.633 122.633 126.764 -4.131 19752 2840 1 4 . 1 1 130 130 PHE HA H 130 5.544 5.544 4.935 0.609 19752 2841 1 4 . 1 1 130 130 PHE C C 130 175.771 175.771 176.036 -0.265 19752 2842 1 4 . 1 1 130 130 PHE CA C 130 57.176 57.176 58.506 -1.330 19752 2843 1 4 . 1 1 130 130 PHE CB C 130 40.670 40.670 39.807 0.863 19752 2844 1 4 . 1 1 130 130 PHE H H 130 8.464 8.464 8.787 -0.323 19752 2845 1 5 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.823 -0.057 19752 2846 1 5 . 1 1 2 2 ASN C C 2 174.930 174.930 174.600 0.330 19752 2847 1 5 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.744 -0.535 19752 2848 1 5 . 1 1 2 2 ASN CB C 2 39.213 39.213 39.377 -0.164 19752 2849 1 5 . 1 1 3 3 ALA N N 3 124.643 124.643 125.934 -1.291 19752 2850 1 5 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.405 -0.141 19752 2851 1 5 . 1 1 3 3 ALA C C 3 177.790 177.790 177.467 0.323 19752 2852 1 5 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.925 0.912 19752 2853 1 5 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.543 -0.303 19752 2854 1 5 . 1 1 3 3 ALA H H 3 8.386 8.386 8.403 -0.017 19752 2855 1 5 . 1 1 4 4 LYS N N 4 120.203 120.203 126.285 -6.082 19752 2856 1 5 . 1 1 4 4 LYS HA H 4 4.223 4.223 3.960 0.263 19752 2857 1 5 . 1 1 4 4 LYS C C 4 176.230 176.230 177.086 -0.856 19752 2858 1 5 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.364 0.170 19752 2859 1 5 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.087 0.724 19752 2860 1 5 . 1 1 4 4 LYS H H 4 8.300 8.300 8.543 -0.243 19752 2861 1 5 . 1 1 5 5 ASN N N 5 119.229 119.229 112.629 6.600 19752 2862 1 5 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.223 0.445 19752 2863 1 5 . 1 1 5 5 ASN C C 5 175.033 175.033 175.942 -0.909 19752 2864 1 5 . 1 1 5 5 ASN CA C 5 53.125 53.125 56.103 -2.978 19752 2865 1 5 . 1 1 5 5 ASN CB C 5 38.777 38.777 37.228 1.548 19752 2866 1 5 . 1 1 5 5 ASN H H 5 8.320 8.320 8.378 -0.058 19752 2867 1 5 . 1 1 6 6 TYR N N 6 120.593 120.593 114.785 5.808 19752 2868 1 5 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.017 0.493 19752 2869 1 5 . 1 1 6 6 TYR C C 6 175.554 175.554 175.557 -0.003 19752 2870 1 5 . 1 1 6 6 TYR CA C 6 58.213 58.213 61.225 -3.012 19752 2871 1 5 . 1 1 6 6 TYR CB C 6 38.601 38.601 36.934 1.667 19752 2872 1 5 . 1 1 6 6 TYR H H 6 8.087 8.087 8.302 -0.215 19752 2873 1 5 . 1 1 7 7 MET N N 7 121.477 121.477 120.591 0.886 19752 2874 1 5 . 1 1 7 7 MET HA H 7 4.391 4.391 4.725 -0.334 19752 2875 1 5 . 1 1 7 7 MET C C 7 175.609 175.609 174.999 0.610 19752 2876 1 5 . 1 1 7 7 MET CA C 7 55.494 55.494 54.614 0.880 19752 2877 1 5 . 1 1 7 7 MET CB C 7 32.970 32.970 32.835 0.135 19752 2878 1 5 . 1 1 7 7 MET H H 7 8.121 8.121 7.964 0.157 19752 2879 1 5 . 1 1 8 8 ASP N N 8 121.704 121.704 125.024 -3.320 19752 2880 1 5 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.658 -0.103 19752 2881 1 5 . 1 1 8 8 ASP C C 8 176.344 176.344 176.223 0.121 19752 2882 1 5 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.522 -0.051 19752 2883 1 5 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.439 -0.117 19752 2884 1 5 . 1 1 8 8 ASP H H 8 8.189 8.189 8.613 -0.424 19752 2885 1 5 . 1 1 9 9 LYS N N 9 122.168 122.168 124.370 -2.202 19752 2886 1 5 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.539 -0.232 19752 2887 1 5 . 1 1 9 9 LYS C C 9 177.267 177.267 176.094 1.173 19752 2888 1 5 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.617 1.005 19752 2889 1 5 . 1 1 9 9 LYS CB C 9 32.765 32.765 33.707 -0.942 19752 2890 1 5 . 1 1 9 9 LYS H H 9 8.335 8.335 8.598 -0.263 19752 2891 1 5 . 1 1 10 10 GLY N N 10 109.505 109.505 110.251 -0.746 19752 2892 1 5 . 1 1 10 10 GLY C C 10 174.568 174.568 173.817 0.751 19752 2893 1 5 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.819 0.764 19752 2894 1 5 . 1 1 10 10 GLY H H 10 8.497 8.497 8.233 0.264 19752 2895 1 5 . 1 1 11 11 THR N N 11 113.312 113.312 118.487 -5.175 19752 2896 1 5 . 1 1 11 11 THR HA H 11 4.396 4.396 4.577 -0.181 19752 2897 1 5 . 1 1 11 11 THR C C 11 174.719 174.719 174.225 0.494 19752 2898 1 5 . 1 1 11 11 THR CA C 11 61.779 61.779 62.158 -0.379 19752 2899 1 5 . 1 1 11 11 THR CB C 11 69.963 69.963 67.997 1.966 19752 2900 1 5 . 1 1 11 11 THR H H 11 8.081 8.081 8.404 -0.323 19752 2901 1 5 . 1 1 12 12 SER N N 12 118.272 118.272 119.662 -1.390 19752 2902 1 5 . 1 1 12 12 SER HA H 12 4.499 4.499 4.595 -0.096 19752 2903 1 5 . 1 1 12 12 SER C C 12 174.766 174.766 174.459 0.307 19752 2904 1 5 . 1 1 12 12 SER CA C 12 58.432 58.432 58.709 -0.277 19752 2905 1 5 . 1 1 12 12 SER CB C 12 63.986 63.986 64.121 -0.135 19752 2906 1 5 . 1 1 12 12 SER H H 12 8.413 8.413 8.265 0.148 19752 2907 1 5 . 1 1 13 13 SER N N 13 118.106 118.106 117.657 0.449 19752 2908 1 5 . 1 1 13 13 SER HA H 13 4.518 4.518 4.529 -0.011 19752 2909 1 5 . 1 1 13 13 SER C C 13 174.674 174.674 173.947 0.727 19752 2910 1 5 . 1 1 13 13 SER CA C 13 58.607 58.607 59.581 -0.975 19752 2911 1 5 . 1 1 13 13 SER CB C 13 63.869 63.869 63.907 -0.038 19752 2912 1 5 . 1 1 13 13 SER H H 13 8.414 8.414 8.015 0.399 19752 2913 1 5 . 1 1 14 14 SER N N 14 117.724 117.724 116.583 1.141 19752 2914 1 5 . 1 1 14 14 SER HA H 14 4.535 4.535 4.629 -0.094 19752 2915 1 5 . 1 1 14 14 SER C C 14 174.743 174.743 173.356 1.387 19752 2916 1 5 . 1 1 14 14 SER CA C 14 58.630 58.630 57.563 1.067 19752 2917 1 5 . 1 1 14 14 SER CB C 14 63.798 63.798 63.888 -0.090 19752 2918 1 5 . 1 1 14 14 SER H H 14 8.379 8.379 8.018 0.361 19752 2919 1 5 . 1 1 15 15 THR N N 15 116.549 116.549 119.581 -3.032 19752 2920 1 5 . 1 1 15 15 THR HA H 15 4.336 4.336 4.351 -0.015 19752 2921 1 5 . 1 1 15 15 THR C C 15 174.310 174.310 173.741 0.569 19752 2922 1 5 . 1 1 15 15 THR CA C 15 62.161 62.161 62.800 -0.639 19752 2923 1 5 . 1 1 15 15 THR CB C 15 69.603 69.603 67.850 1.753 19752 2924 1 5 . 1 1 15 15 THR H H 15 8.195 8.195 8.344 -0.149 19752 2925 1 5 . 1 1 16 16 VAL N N 16 123.406 123.406 128.237 -4.831 19752 2926 1 5 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.138 -0.036 19752 2927 1 5 . 1 1 16 16 VAL C C 16 175.934 175.934 175.508 0.426 19752 2928 1 5 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.119 1.393 19752 2929 1 5 . 1 1 16 16 VAL CB C 16 32.738 32.738 30.497 2.241 19752 2930 1 5 . 1 1 16 16 VAL H H 16 8.121 8.121 8.199 -0.078 19752 2931 1 5 . 1 1 17 17 VAL N N 17 125.445 125.445 126.530 -1.085 19752 2932 1 5 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.224 -0.139 19752 2933 1 5 . 1 1 17 17 VAL C C 17 176.102 176.102 176.229 -0.127 19752 2934 1 5 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.560 -0.281 19752 2935 1 5 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.549 0.128 19752 2936 1 5 . 1 1 17 17 VAL H H 17 8.293 8.293 7.905 0.388 19752 2937 1 5 . 1 1 18 18 LYS N N 18 126.281 126.281 119.112 7.169 19752 2938 1 5 . 1 1 18 18 LYS HA H 18 4.342 4.342 3.933 0.409 19752 2939 1 5 . 1 1 18 18 LYS C C 18 176.138 176.138 175.918 0.220 19752 2940 1 5 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.920 -0.715 19752 2941 1 5 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.019 2.127 19752 2942 1 5 . 1 1 18 18 LYS H H 18 8.478 8.478 8.514 -0.036 19752 2943 1 5 . 1 1 19 19 ASP N N 19 121.904 121.904 120.292 1.612 19752 2944 1 5 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.405 0.159 19752 2945 1 5 . 1 1 19 19 ASP C C 19 176.698 176.698 177.043 -0.345 19752 2946 1 5 . 1 1 19 19 ASP CA C 19 54.385 54.385 55.855 -1.470 19752 2947 1 5 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.298 -0.076 19752 2948 1 5 . 1 1 19 19 ASP H H 19 8.379 8.379 7.809 0.570 19752 2949 1 5 . 1 1 20 20 GLY N N 20 109.177 109.177 111.654 -2.477 19752 2950 1 5 . 1 1 20 20 GLY C C 20 174.374 174.374 173.631 0.743 19752 2951 1 5 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.391 1.247 19752 2952 1 5 . 1 1 20 20 GLY H H 20 8.390 8.390 8.059 0.331 19752 2953 1 5 . 1 1 21 21 LYS N N 21 120.814 120.814 122.295 -1.481 19752 2954 1 5 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.295 0.094 19752 2955 1 5 . 1 1 21 21 LYS C C 21 177.041 177.041 176.156 0.885 19752 2956 1 5 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.791 -0.215 19752 2957 1 5 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.252 0.838 19752 2958 1 5 . 1 1 21 21 LYS H H 21 8.229 8.229 8.527 -0.298 19752 2959 1 5 . 1 1 22 22 THR N N 22 115.105 115.105 118.130 -3.025 19752 2960 1 5 . 1 1 22 22 THR HA H 22 4.393 4.393 4.365 0.028 19752 2961 1 5 . 1 1 22 22 THR C C 22 174.607 174.607 174.882 -0.275 19752 2962 1 5 . 1 1 22 22 THR CA C 22 61.880 61.880 62.986 -1.105 19752 2963 1 5 . 1 1 22 22 THR CB C 22 69.736 69.736 69.547 0.189 19752 2964 1 5 . 1 1 22 22 THR H H 22 8.237 8.237 8.260 -0.023 19752 2965 1 5 . 1 1 24 24 SER HA H 24 4.486 4.486 4.469 0.017 19752 2966 1 5 . 1 1 24 24 SER C C 24 174.299 174.299 174.303 -0.004 19752 2967 1 5 . 1 1 24 24 SER CA C 24 58.547 58.547 59.062 -0.515 19752 2968 1 5 . 1 1 24 24 SER CB C 24 63.787 63.787 63.850 -0.063 19752 2969 1 5 . 1 1 25 25 ALA N N 25 125.891 125.891 122.959 2.932 19752 2970 1 5 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.681 -0.305 19752 2971 1 5 . 1 1 25 25 ALA C C 25 177.660 177.660 176.629 1.031 19752 2972 1 5 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.361 1.268 19752 2973 1 5 . 1 1 25 25 ALA CB C 25 19.291 19.291 20.548 -1.257 19752 2974 1 5 . 1 1 25 25 ALA H H 25 8.328 8.328 7.822 0.506 19752 2975 1 5 . 1 1 26 26 SER N N 26 115.155 115.155 115.633 -0.478 19752 2976 1 5 . 1 1 26 26 SER HA H 26 4.486 4.486 4.344 0.142 19752 2977 1 5 . 1 1 26 26 SER C C 26 174.291 174.291 174.142 0.149 19752 2978 1 5 . 1 1 26 26 SER CA C 26 58.237 58.237 60.392 -2.155 19752 2979 1 5 . 1 1 26 26 SER CB C 26 63.917 63.917 63.188 0.729 19752 2980 1 5 . 1 1 26 26 SER H H 26 8.267 8.267 8.824 -0.557 19752 2981 1 5 . 1 1 27 27 THR N N 27 118.324 118.324 118.804 -0.480 19752 2982 1 5 . 1 1 27 27 THR HA H 27 4.627 4.627 4.611 0.016 19752 2983 1 5 . 1 1 27 27 THR C C 27 172.782 172.782 172.786 -0.004 19752 2984 1 5 . 1 1 27 27 THR CA C 27 59.748 59.748 60.011 -0.263 19752 2985 1 5 . 1 1 27 27 THR CB C 27 69.702 69.702 69.225 0.477 19752 2986 1 5 . 1 1 27 27 THR H H 27 8.164 8.164 7.637 0.527 19752 2987 1 5 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.642 -0.239 19752 2988 1 5 . 1 1 28 28 PRO C C 28 176.630 176.630 175.721 0.909 19752 2989 1 5 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.739 0.511 19752 2990 1 5 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.031 2.134 19752 2991 1 5 . 1 1 29 29 ALA N N 29 124.263 124.263 123.461 0.802 19752 2992 1 5 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.548 -0.199 19752 2993 1 5 . 1 1 29 29 ALA C C 29 177.974 177.974 177.673 0.301 19752 2994 1 5 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.627 0.028 19752 2995 1 5 . 1 1 29 29 ALA CB C 29 19.277 19.277 19.342 -0.065 19752 2996 1 5 . 1 1 29 29 ALA H H 29 8.432 8.432 8.418 0.014 19752 2997 1 5 . 1 1 30 30 THR N N 30 113.368 113.368 113.798 -0.430 19752 2998 1 5 . 1 1 30 30 THR HA H 30 4.281 4.281 4.252 0.029 19752 2999 1 5 . 1 1 30 30 THR C C 30 174.257 174.257 176.281 -2.024 19752 3000 1 5 . 1 1 30 30 THR CA C 30 61.656 61.656 62.973 -1.317 19752 3001 1 5 . 1 1 30 30 THR CB C 30 69.801 69.801 69.057 0.744 19752 3002 1 5 . 1 1 30 30 THR H H 30 8.106 8.106 7.839 0.267 19752 3003 1 5 . 1 1 31 31 ARG N N 31 124.700 124.700 121.807 2.893 19752 3004 1 5 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.594 0.056 19752 3005 1 5 . 1 1 31 31 ARG C C 31 174.094 174.094 175.705 -1.611 19752 3006 1 5 . 1 1 31 31 ARG CA C 31 54.051 54.051 57.633 -3.582 19752 3007 1 5 . 1 1 31 31 ARG CB C 31 30.374 30.374 28.818 1.556 19752 3008 1 5 . 1 1 31 31 ARG H H 31 8.318 8.318 8.658 -0.340 19752 3009 1 5 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.629 -0.130 19752 3010 1 5 . 1 1 32 32 PRO C C 32 177.065 177.065 175.311 1.754 19752 3011 1 5 . 1 1 32 32 PRO CA C 32 63.060 63.060 61.647 1.413 19752 3012 1 5 . 1 1 32 32 PRO CB C 32 32.157 32.157 29.871 2.286 19752 3013 1 5 . 1 1 33 33 VAL N N 33 120.890 120.890 120.952 -0.062 19752 3014 1 5 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.959 0.249 19752 3015 1 5 . 1 1 33 33 VAL C C 33 176.668 176.668 176.038 0.630 19752 3016 1 5 . 1 1 33 33 VAL CA C 33 62.608 62.608 63.742 -1.134 19752 3017 1 5 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.187 1.560 19752 3018 1 5 . 1 1 33 33 VAL H H 33 8.447 8.447 7.950 0.497 19752 3019 1 5 . 1 1 34 34 THR N N 34 116.709 116.709 118.391 -1.682 19752 3020 1 5 . 1 1 34 34 THR HA H 34 4.377 4.377 4.248 0.129 19752 3021 1 5 . 1 1 34 34 THR C C 34 174.791 174.791 173.882 0.909 19752 3022 1 5 . 1 1 34 34 THR CA C 34 61.700 61.700 62.856 -1.156 19752 3023 1 5 . 1 1 34 34 THR CB C 34 69.697 69.697 69.872 -0.175 19752 3024 1 5 . 1 1 34 34 THR H H 34 8.221 8.221 8.932 -0.711 19752 3025 1 5 . 1 1 35 35 GLY N N 35 111.182 111.182 112.339 -1.157 19752 3026 1 5 . 1 1 35 35 GLY C C 35 173.940 173.940 172.700 1.240 19752 3027 1 5 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.650 0.006 19752 3028 1 5 . 1 1 35 35 GLY H H 35 8.376 8.376 8.613 -0.237 19752 3029 1 5 . 1 1 36 36 SER N N 36 116.779 116.779 116.838 -0.059 19752 3030 1 5 . 1 1 36 36 SER HA H 36 4.456 4.456 4.709 -0.253 19752 3031 1 5 . 1 1 36 36 SER C C 36 173.880 173.880 172.930 0.950 19752 3032 1 5 . 1 1 36 36 SER CA C 36 58.255 58.255 58.031 0.225 19752 3033 1 5 . 1 1 36 36 SER CB C 36 64.195 64.195 64.163 0.032 19752 3034 1 5 . 1 1 36 36 SER H H 36 8.456 8.456 8.376 0.080 19752 3035 1 5 . 1 1 37 37 TRP N N 37 121.744 121.744 122.035 -0.291 19752 3036 1 5 . 1 1 37 37 TRP HA H 37 4.528 4.528 5.117 -0.589 19752 3037 1 5 . 1 1 37 37 TRP C C 37 176.500 176.500 176.691 -0.191 19752 3038 1 5 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.169 0.922 19752 3039 1 5 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.814 0.193 19752 3040 1 5 . 1 1 37 37 TRP H H 37 8.171 8.171 7.484 0.687 19752 3041 1 5 . 1 1 38 38 LYS N N 38 123.158 123.158 121.150 2.008 19752 3042 1 5 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.804 -0.178 19752 3043 1 5 . 1 1 38 38 LYS C C 38 172.839 172.839 174.521 -1.682 19752 3044 1 5 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.846 1.310 19752 3045 1 5 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.464 0.192 19752 3046 1 5 . 1 1 38 38 LYS H H 38 8.736 8.736 8.905 -0.169 19752 3047 1 5 . 1 1 39 39 LYS N N 39 121.526 121.526 122.862 -1.336 19752 3048 1 5 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.324 0.416 19752 3049 1 5 . 1 1 39 39 LYS C C 39 177.510 177.510 176.601 0.909 19752 3050 1 5 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.130 -0.814 19752 3051 1 5 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.170 0.187 19752 3052 1 5 . 1 1 39 39 LYS H H 39 8.123 8.123 8.129 -0.006 19752 3053 1 5 . 1 1 40 40 ASN N N 40 123.988 123.988 125.221 -1.233 19752 3054 1 5 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.859 0.197 19752 3055 1 5 . 1 1 40 40 ASN C C 40 177.524 177.524 176.312 1.212 19752 3056 1 5 . 1 1 40 40 ASN CA C 40 50.840 50.840 51.800 -0.960 19752 3057 1 5 . 1 1 40 40 ASN CB C 40 39.156 39.156 39.175 -0.019 19752 3058 1 5 . 1 1 40 40 ASN H H 40 8.583 8.583 8.995 -0.412 19752 3059 1 5 . 1 1 41 41 GLN N N 41 116.529 116.529 117.148 -0.619 19752 3060 1 5 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.122 -0.062 19752 3061 1 5 . 1 1 41 41 GLN C C 41 175.829 175.829 175.460 0.369 19752 3062 1 5 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.112 0.649 19752 3063 1 5 . 1 1 41 41 GLN CB C 41 27.947 27.947 27.765 0.183 19752 3064 1 5 . 1 1 41 41 GLN H H 41 8.856 8.856 8.703 0.153 19752 3065 1 5 . 1 1 42 42 TYR N N 42 119.255 119.255 118.278 0.977 19752 3066 1 5 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.722 -0.071 19752 3067 1 5 . 1 1 42 42 TYR C C 42 175.782 175.782 176.319 -0.537 19752 3068 1 5 . 1 1 42 42 TYR CA C 42 57.120 57.120 56.907 0.213 19752 3069 1 5 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.867 0.251 19752 3070 1 5 . 1 1 42 42 TYR H H 42 7.604 7.604 7.578 0.026 19752 3071 1 5 . 1 1 43 43 GLY N N 43 106.354 106.354 108.769 -2.415 19752 3072 1 5 . 1 1 43 43 GLY C C 43 173.297 173.297 174.398 -1.101 19752 3073 1 5 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.671 -0.508 19752 3074 1 5 . 1 1 43 43 GLY H H 43 7.993 7.993 7.783 0.210 19752 3075 1 5 . 1 1 44 44 THR N N 44 120.062 120.062 116.304 3.758 19752 3076 1 5 . 1 1 44 44 THR HA H 44 4.176 4.176 4.648 -0.472 19752 3077 1 5 . 1 1 44 44 THR C C 44 173.969 173.969 173.553 0.416 19752 3078 1 5 . 1 1 44 44 THR CA C 44 62.132 62.132 62.289 -0.157 19752 3079 1 5 . 1 1 44 44 THR CB C 44 68.989 68.989 70.900 -1.911 19752 3080 1 5 . 1 1 44 44 THR H H 44 7.781 7.781 8.014 -0.233 19752 3081 1 5 . 1 1 45 45 TRP N N 45 129.666 129.666 126.334 3.332 19752 3082 1 5 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.280 0.396 19752 3083 1 5 . 1 1 45 45 TRP C C 45 175.999 175.999 176.313 -0.314 19752 3084 1 5 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.601 0.005 19752 3085 1 5 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.689 -0.048 19752 3086 1 5 . 1 1 45 45 TRP H H 45 8.041 8.041 8.618 -0.577 19752 3087 1 5 . 1 1 46 46 TYR N N 46 122.938 122.938 119.765 3.173 19752 3088 1 5 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.251 0.087 19752 3089 1 5 . 1 1 46 46 TYR C C 46 173.663 173.663 173.871 -0.208 19752 3090 1 5 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.212 1.095 19752 3091 1 5 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.243 1.882 19752 3092 1 5 . 1 1 46 46 TYR H H 46 10.329 10.329 9.396 0.933 19752 3093 1 5 . 1 1 47 47 LYS N N 47 118.986 118.986 118.518 0.468 19752 3094 1 5 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.047 -0.276 19752 3095 1 5 . 1 1 47 47 LYS C C 47 172.462 172.462 174.176 -1.714 19752 3096 1 5 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.321 1.391 19752 3097 1 5 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.655 -0.537 19752 3098 1 5 . 1 1 47 47 LYS H H 47 8.923 8.923 9.315 -0.392 19752 3099 1 5 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.993 -0.191 19752 3100 1 5 . 1 1 48 48 PRO C C 48 176.747 176.747 176.106 0.641 19752 3101 1 5 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.829 -0.164 19752 3102 1 5 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.698 0.341 19752 3103 1 5 . 1 1 49 49 GLU N N 49 125.285 125.285 124.416 0.869 19752 3104 1 5 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.462 -0.474 19752 3105 1 5 . 1 1 49 49 GLU C C 49 170.927 170.927 174.225 -3.298 19752 3106 1 5 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.144 1.726 19752 3107 1 5 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.308 0.922 19752 3108 1 5 . 1 1 49 49 GLU H H 49 7.771 7.771 8.353 -0.582 19752 3109 1 5 . 1 1 50 50 ASN N N 50 122.328 122.328 125.119 -2.791 19752 3110 1 5 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.625 -0.227 19752 3111 1 5 . 1 1 50 50 ASN C C 50 173.648 173.648 173.568 0.080 19752 3112 1 5 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.010 -0.324 19752 3113 1 5 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.769 -0.123 19752 3114 1 5 . 1 1 50 50 ASN H H 50 8.148 8.148 8.524 -0.376 19752 3115 1 5 . 1 1 51 51 ALA N N 51 126.527 126.527 127.759 -1.232 19752 3116 1 5 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.538 -0.085 19752 3117 1 5 . 1 1 51 51 ALA C C 51 172.872 172.872 174.544 -1.672 19752 3118 1 5 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.914 0.682 19752 3119 1 5 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.170 -2.500 19752 3120 1 5 . 1 1 51 51 ALA H H 51 7.085 7.085 8.131 -1.046 19752 3121 1 5 . 1 1 52 52 THR N N 52 112.831 112.831 115.079 -2.248 19752 3122 1 5 . 1 1 52 52 THR HA H 52 5.167 5.167 5.010 0.157 19752 3123 1 5 . 1 1 52 52 THR C C 52 172.852 172.852 172.869 -0.017 19752 3124 1 5 . 1 1 52 52 THR CA C 52 62.232 62.232 62.099 0.133 19752 3125 1 5 . 1 1 52 52 THR CB C 52 71.068 71.068 70.180 0.888 19752 3126 1 5 . 1 1 52 52 THR H H 52 8.036 8.036 7.937 0.099 19752 3127 1 5 . 1 1 53 53 PHE N N 53 127.883 127.883 128.818 -0.935 19752 3128 1 5 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.338 -0.015 19752 3129 1 5 . 1 1 53 53 PHE C C 53 172.928 172.928 173.092 -0.164 19752 3130 1 5 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.488 -0.213 19752 3131 1 5 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.319 0.886 19752 3132 1 5 . 1 1 53 53 PHE H H 53 9.714 9.714 9.628 0.086 19752 3133 1 5 . 1 1 54 54 VAL N N 54 127.284 127.284 128.167 -0.883 19752 3134 1 5 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.382 -0.062 19752 3135 1 5 . 1 1 54 54 VAL C C 54 175.842 175.842 174.184 1.658 19752 3136 1 5 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.407 -0.255 19752 3137 1 5 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.795 -1.057 19752 3138 1 5 . 1 1 54 54 VAL H H 54 8.583 8.583 8.615 -0.032 19752 3139 1 5 . 1 1 55 55 ASN N N 55 125.723 125.723 125.632 0.091 19752 3140 1 5 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.245 -0.085 19752 3141 1 5 . 1 1 55 55 ASN C C 55 176.333 176.333 175.306 1.027 19752 3142 1 5 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.109 0.480 19752 3143 1 5 . 1 1 55 55 ASN CB C 55 38.645 38.645 40.039 -1.394 19752 3144 1 5 . 1 1 55 55 ASN H H 55 8.970 8.970 8.236 0.734 19752 3145 1 5 . 1 1 56 56 GLY N N 56 114.389 114.389 110.124 4.265 19752 3146 1 5 . 1 1 56 56 GLY C C 56 173.882 173.882 174.577 -0.695 19752 3147 1 5 . 1 1 56 56 GLY CA C 56 44.676 44.676 44.723 -0.047 19752 3148 1 5 . 1 1 56 56 GLY H H 56 8.360 8.360 8.324 0.036 19752 3149 1 5 . 1 1 57 57 ASN N N 57 115.511 115.511 117.883 -2.372 19752 3150 1 5 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.638 -0.127 19752 3151 1 5 . 1 1 57 57 ASN C C 57 174.741 174.741 174.351 0.390 19752 3152 1 5 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.350 0.863 19752 3153 1 5 . 1 1 57 57 ASN CB C 57 38.629 38.629 37.156 1.473 19752 3154 1 5 . 1 1 57 57 ASN H H 57 8.149 8.149 8.610 -0.461 19752 3155 1 5 . 1 1 58 58 GLN N N 58 118.128 118.128 117.810 0.318 19752 3156 1 5 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.809 0.151 19752 3157 1 5 . 1 1 58 58 GLN C C 58 172.603 172.603 173.235 -0.632 19752 3158 1 5 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.530 0.103 19752 3159 1 5 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.435 1.133 19752 3160 1 5 . 1 1 58 58 GLN H H 58 7.702 7.702 7.534 0.168 19752 3161 1 5 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.837 0.103 19752 3162 1 5 . 1 1 59 59 PRO C C 59 176.506 176.506 176.238 0.268 19752 3163 1 5 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.719 -0.463 19752 3164 1 5 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.385 0.275 19752 3165 1 5 . 1 1 60 60 ILE N N 60 120.974 120.974 125.518 -4.544 19752 3166 1 5 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.197 0.077 19752 3167 1 5 . 1 1 60 60 ILE C C 60 175.190 175.190 175.324 -0.134 19752 3168 1 5 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.464 0.223 19752 3169 1 5 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.110 1.635 19752 3170 1 5 . 1 1 60 60 ILE H H 60 8.126 8.126 8.594 -0.468 19752 3171 1 5 . 1 1 61 61 VAL N N 61 128.224 128.224 128.076 0.148 19752 3172 1 5 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.272 -0.159 19752 3173 1 5 . 1 1 61 61 VAL C C 61 175.973 175.973 175.646 0.327 19752 3174 1 5 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.048 2.228 19752 3175 1 5 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.893 -0.963 19752 3176 1 5 . 1 1 61 61 VAL H H 61 8.421 8.421 8.655 -0.234 19752 3177 1 5 . 1 1 62 62 THR N N 62 118.454 118.454 121.854 -3.400 19752 3178 1 5 . 1 1 62 62 THR HA H 62 5.021 5.021 4.853 0.168 19752 3179 1 5 . 1 1 62 62 THR C C 62 174.936 174.936 173.833 1.103 19752 3180 1 5 . 1 1 62 62 THR CA C 62 61.286 61.286 60.678 0.608 19752 3181 1 5 . 1 1 62 62 THR CB C 62 71.133 71.133 71.535 -0.402 19752 3182 1 5 . 1 1 62 62 THR H H 62 7.989 7.989 9.143 -1.154 19752 3183 1 5 . 1 1 63 63 ARG N N 63 118.225 118.225 119.605 -1.380 19752 3184 1 5 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.303 0.126 19752 3185 1 5 . 1 1 63 63 ARG C C 63 175.607 175.607 175.251 0.356 19752 3186 1 5 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.370 -0.723 19752 3187 1 5 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.044 0.560 19752 3188 1 5 . 1 1 63 63 ARG H H 63 9.336 9.336 9.158 0.178 19752 3189 1 5 . 1 1 64 64 ILE N N 64 119.746 119.746 122.512 -2.766 19752 3190 1 5 . 1 1 64 64 ILE HA H 64 4.465 4.465 3.986 0.479 19752 3191 1 5 . 1 1 64 64 ILE C C 64 179.206 179.206 177.114 2.092 19752 3192 1 5 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.799 -1.610 19752 3193 1 5 . 1 1 64 64 ILE CB C 64 38.248 38.248 37.950 0.298 19752 3194 1 5 . 1 1 64 64 ILE H H 64 8.741 8.741 8.692 0.049 19752 3195 1 5 . 1 1 65 65 GLY N N 65 116.059 116.059 116.341 -0.282 19752 3196 1 5 . 1 1 65 65 GLY C C 65 174.185 174.185 173.818 0.367 19752 3197 1 5 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.036 1.635 19752 3198 1 5 . 1 1 65 65 GLY H H 65 9.316 9.316 8.862 0.454 19752 3199 1 5 . 1 1 66 66 SER N N 66 114.840 114.840 115.097 -0.257 19752 3200 1 5 . 1 1 66 66 SER HA H 66 4.160 4.160 4.191 -0.031 19752 3201 1 5 . 1 1 66 66 SER C C 66 170.281 170.281 171.313 -1.032 19752 3202 1 5 . 1 1 66 66 SER CA C 66 56.207 56.207 55.711 0.496 19752 3203 1 5 . 1 1 66 66 SER CB C 66 63.737 63.737 64.981 -1.244 19752 3204 1 5 . 1 1 66 66 SER H H 66 7.412 7.412 7.570 -0.158 19752 3205 1 5 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.555 -0.916 19752 3206 1 5 . 1 1 67 67 PRO C C 67 170.030 170.030 174.422 -4.392 19752 3207 1 5 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.318 -1.648 19752 3208 1 5 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.270 -5.360 19752 3209 1 5 . 1 1 68 68 PHE N N 68 111.778 111.778 118.890 -7.112 19752 3210 1 5 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.421 0.072 19752 3211 1 5 . 1 1 68 68 PHE C C 68 177.055 177.055 175.448 1.607 19752 3212 1 5 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.957 -1.329 19752 3213 1 5 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.429 1.929 19752 3214 1 5 . 1 1 68 68 PHE H H 68 6.610 6.610 7.068 -0.458 19752 3215 1 5 . 1 1 69 69 LEU N N 69 119.491 119.491 122.387 -2.896 19752 3216 1 5 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.478 -0.165 19752 3217 1 5 . 1 1 69 69 LEU C C 69 176.326 176.326 176.988 -0.662 19752 3218 1 5 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.431 -1.200 19752 3219 1 5 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.137 -1.267 19752 3220 1 5 . 1 1 69 69 LEU H H 69 8.388 8.388 8.560 -0.172 19752 3221 1 5 . 1 1 70 70 ASN N N 70 112.229 112.229 116.927 -4.698 19752 3222 1 5 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.824 0.018 19752 3223 1 5 . 1 1 70 70 ASN C C 70 175.620 175.620 174.106 1.514 19752 3224 1 5 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.467 -0.799 19752 3225 1 5 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.094 -0.441 19752 3226 1 5 . 1 1 70 70 ASN H H 70 7.675 7.675 8.262 -0.587 19752 3227 1 5 . 1 1 71 71 ALA N N 71 123.955 123.955 124.015 -0.060 19752 3228 1 5 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.549 0.010 19752 3229 1 5 . 1 1 71 71 ALA C C 71 174.274 174.274 175.584 -1.310 19752 3230 1 5 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.230 1.240 19752 3231 1 5 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.469 -0.626 19752 3232 1 5 . 1 1 71 71 ALA H H 71 7.152 7.152 7.398 -0.246 19752 3233 1 5 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.299 0.114 19752 3234 1 5 . 1 1 72 72 PRO C C 72 176.342 176.342 175.677 0.665 19752 3235 1 5 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.626 -0.507 19752 3236 1 5 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.949 0.207 19752 3237 1 5 . 1 1 73 73 VAL N N 73 121.078 121.078 123.249 -2.171 19752 3238 1 5 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.160 0.124 19752 3239 1 5 . 1 1 73 73 VAL C C 73 177.864 177.864 177.406 0.458 19752 3240 1 5 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.543 2.734 19752 3241 1 5 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.222 -1.498 19752 3242 1 5 . 1 1 73 73 VAL H H 73 8.328 8.328 8.190 0.138 19752 3243 1 5 . 1 1 74 74 GLY N N 74 114.118 114.118 111.922 2.196 19752 3244 1 5 . 1 1 74 74 GLY C C 74 173.963 173.963 173.638 0.325 19752 3245 1 5 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.922 -0.137 19752 3246 1 5 . 1 1 74 74 GLY H H 74 8.781 8.781 8.785 -0.004 19752 3247 1 5 . 1 1 75 75 GLY N N 75 107.324 107.324 109.990 -2.666 19752 3248 1 5 . 1 1 75 75 GLY C C 75 173.460 173.460 172.130 1.330 19752 3249 1 5 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.301 -0.553 19752 3250 1 5 . 1 1 75 75 GLY H H 75 7.278 7.278 7.876 -0.598 19752 3251 1 5 . 1 1 76 76 ASN N N 76 119.682 119.682 122.418 -2.736 19752 3252 1 5 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.194 0.228 19752 3253 1 5 . 1 1 76 76 ASN C C 76 175.760 175.760 174.195 1.565 19752 3254 1 5 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.607 -0.330 19752 3255 1 5 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.488 -2.275 19752 3256 1 5 . 1 1 76 76 ASN H H 76 8.797 8.797 8.640 0.157 19752 3257 1 5 . 1 1 77 77 LEU N N 77 129.545 129.545 127.862 1.683 19752 3258 1 5 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.014 -0.143 19752 3259 1 5 . 1 1 77 77 LEU C C 77 174.374 174.374 174.357 0.017 19752 3260 1 5 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.229 0.985 19752 3261 1 5 . 1 1 77 77 LEU CB C 77 43.071 43.071 44.152 -1.081 19752 3262 1 5 . 1 1 77 77 LEU H H 77 10.083 10.083 9.003 1.080 19752 3263 1 5 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.481 -0.152 19752 3264 1 5 . 1 1 78 78 PRO C C 78 177.553 177.553 175.900 1.653 19752 3265 1 5 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.084 0.498 19752 3266 1 5 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.444 0.277 19752 3267 1 5 . 1 1 79 79 ALA N N 79 125.294 125.294 122.817 2.477 19752 3268 1 5 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.086 0.174 19752 3269 1 5 . 1 1 79 79 ALA C C 79 179.984 179.984 178.391 1.593 19752 3270 1 5 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.696 0.482 19752 3271 1 5 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.158 -0.912 19752 3272 1 5 . 1 1 79 79 ALA H H 79 8.585 8.585 8.069 0.516 19752 3273 1 5 . 1 1 80 80 GLY N N 80 110.970 110.970 111.110 -0.140 19752 3274 1 5 . 1 1 80 80 GLY C C 80 173.499 173.499 174.265 -0.766 19752 3275 1 5 . 1 1 80 80 GLY CA C 80 45.954 45.954 45.283 0.671 19752 3276 1 5 . 1 1 80 80 GLY H H 80 8.004 8.004 8.270 -0.266 19752 3277 1 5 . 1 1 81 81 ALA N N 81 122.249 122.249 123.239 -0.990 19752 3278 1 5 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.308 -0.057 19752 3279 1 5 . 1 1 81 81 ALA C C 81 175.709 175.709 176.299 -0.590 19752 3280 1 5 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.565 0.200 19752 3281 1 5 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.387 1.466 19752 3282 1 5 . 1 1 81 81 ALA H H 81 7.363 7.363 7.304 0.059 19752 3283 1 5 . 1 1 82 82 THR N N 82 114.980 114.980 120.553 -5.573 19752 3284 1 5 . 1 1 82 82 THR HA H 82 5.171 5.171 4.697 0.474 19752 3285 1 5 . 1 1 82 82 THR C C 82 174.618 174.618 173.747 0.871 19752 3286 1 5 . 1 1 82 82 THR CA C 82 62.118 62.118 62.722 -0.604 19752 3287 1 5 . 1 1 82 82 THR CB C 82 70.555 70.555 68.877 1.678 19752 3288 1 5 . 1 1 82 82 THR H H 82 8.181 8.181 8.342 -0.161 19752 3289 1 5 . 1 1 83 83 ILE N N 83 127.480 127.480 129.438 -1.958 19752 3290 1 5 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.357 0.047 19752 3291 1 5 . 1 1 83 83 ILE C C 83 173.926 173.926 174.031 -0.105 19752 3292 1 5 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.497 -0.158 19752 3293 1 5 . 1 1 83 83 ILE CB C 83 42.228 42.228 39.984 2.244 19752 3294 1 5 . 1 1 83 83 ILE H H 83 9.627 9.627 9.258 0.369 19752 3295 1 5 . 1 1 84 84 VAL N N 84 128.246 128.246 129.503 -1.257 19752 3296 1 5 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.386 0.287 19752 3297 1 5 . 1 1 84 84 VAL C C 84 175.501 175.501 174.436 1.065 19752 3298 1 5 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.955 1.180 19752 3299 1 5 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.063 -1.407 19752 3300 1 5 . 1 1 84 84 VAL H H 84 8.059 8.059 8.667 -0.608 19752 3301 1 5 . 1 1 85 85 TYR N N 85 126.862 126.862 125.253 1.609 19752 3302 1 5 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.975 0.450 19752 3303 1 5 . 1 1 85 85 TYR C C 85 174.273 174.273 174.245 0.028 19752 3304 1 5 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.131 0.680 19752 3305 1 5 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.864 1.412 19752 3306 1 5 . 1 1 85 85 TYR H H 85 8.840 8.840 8.706 0.134 19752 3307 1 5 . 1 1 86 86 ASP N N 86 115.086 115.086 117.123 -2.037 19752 3308 1 5 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.950 0.518 19752 3309 1 5 . 1 1 86 86 ASP C C 86 177.943 177.943 176.097 1.846 19752 3310 1 5 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.261 0.942 19752 3311 1 5 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.812 0.763 19752 3312 1 5 . 1 1 86 86 ASP H H 86 8.843 8.843 8.646 0.197 19752 3313 1 5 . 1 1 87 87 GLU N N 87 124.208 124.208 119.706 4.502 19752 3314 1 5 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.477 -0.362 19752 3315 1 5 . 1 1 87 87 GLU C C 87 173.613 173.613 174.459 -0.846 19752 3316 1 5 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.416 0.356 19752 3317 1 5 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.775 1.732 19752 3318 1 5 . 1 1 87 87 GLU H H 87 8.121 8.121 7.817 0.304 19752 3319 1 5 . 1 1 88 88 VAL N N 88 121.754 121.754 125.035 -3.281 19752 3320 1 5 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.998 0.716 19752 3321 1 5 . 1 1 88 88 VAL C C 88 175.480 175.480 174.707 0.773 19752 3322 1 5 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.508 -0.738 19752 3323 1 5 . 1 1 88 88 VAL CB C 88 35.644 35.644 35.165 0.479 19752 3324 1 5 . 1 1 88 88 VAL H H 88 8.822 8.822 8.973 -0.151 19752 3325 1 5 . 1 1 89 89 CYS N N 89 118.234 118.234 125.614 -7.380 19752 3326 1 5 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.959 0.340 19752 3327 1 5 . 1 1 89 89 CYS C C 89 174.126 174.126 174.407 -0.281 19752 3328 1 5 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.924 -0.839 19752 3329 1 5 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.276 1.828 19752 3330 1 5 . 1 1 89 89 CYS H H 89 9.404 9.404 9.652 -0.248 19752 3331 1 5 . 1 1 90 90 ILE N N 90 122.085 122.085 124.869 -2.784 19752 3332 1 5 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.465 0.768 19752 3333 1 5 . 1 1 90 90 ILE C C 90 176.210 176.210 174.462 1.748 19752 3334 1 5 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.922 0.637 19752 3335 1 5 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.539 2.950 19752 3336 1 5 . 1 1 90 90 ILE H H 90 9.773 9.773 9.400 0.373 19752 3337 1 5 . 1 1 91 91 GLN N N 91 125.884 125.884 127.904 -2.020 19752 3338 1 5 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.814 -0.195 19752 3339 1 5 . 1 1 91 91 GLN C C 91 176.019 176.019 174.708 1.311 19752 3340 1 5 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.016 2.207 19752 3341 1 5 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.863 -1.670 19752 3342 1 5 . 1 1 91 91 GLN H H 91 8.910 8.910 8.645 0.265 19752 3343 1 5 . 1 1 92 92 ALA N N 92 131.300 131.300 128.253 3.047 19752 3344 1 5 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.109 0.415 19752 3345 1 5 . 1 1 92 92 ALA C C 92 178.514 178.514 177.528 0.986 19752 3346 1 5 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.031 -0.564 19752 3347 1 5 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.058 0.211 19752 3348 1 5 . 1 1 92 92 ALA H H 92 9.888 9.888 8.944 0.944 19752 3349 1 5 . 1 1 93 93 GLY N N 93 107.622 107.622 112.624 -5.002 19752 3350 1 5 . 1 1 93 93 GLY C C 93 174.796 174.796 173.409 1.387 19752 3351 1 5 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.822 1.648 19752 3352 1 5 . 1 1 93 93 GLY H H 93 9.675 9.675 8.450 1.225 19752 3353 1 5 . 1 1 94 94 HIS N N 94 118.233 118.233 119.622 -1.389 19752 3354 1 5 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.181 -0.355 19752 3355 1 5 . 1 1 94 94 HIS C C 94 173.575 173.575 172.803 0.772 19752 3356 1 5 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.283 0.937 19752 3357 1 5 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.927 -2.194 19752 3358 1 5 . 1 1 94 94 HIS H H 94 8.337 8.337 8.382 -0.045 19752 3359 1 5 . 1 1 95 95 ILE N N 95 118.964 118.964 122.495 -3.531 19752 3360 1 5 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.806 0.405 19752 3361 1 5 . 1 1 95 95 ILE C C 95 174.555 174.555 173.964 0.591 19752 3362 1 5 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.569 1.413 19752 3363 1 5 . 1 1 95 95 ILE CB C 95 38.783 38.783 39.708 -0.925 19752 3364 1 5 . 1 1 95 95 ILE H H 95 8.116 8.116 7.774 0.342 19752 3365 1 5 . 1 1 96 96 TRP N N 96 127.092 127.092 129.613 -2.521 19752 3366 1 5 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.489 -0.012 19752 3367 1 5 . 1 1 96 96 TRP C C 96 176.216 176.216 176.267 -0.051 19752 3368 1 5 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.397 -1.153 19752 3369 1 5 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.518 0.250 19752 3370 1 5 . 1 1 96 96 TRP H H 96 9.869 9.869 9.318 0.551 19752 3371 1 5 . 1 1 97 97 ILE N N 97 113.283 113.283 117.006 -3.723 19752 3372 1 5 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.196 0.276 19752 3373 1 5 . 1 1 97 97 ILE C C 97 175.278 175.278 175.136 0.142 19752 3374 1 5 . 1 1 97 97 ILE CA C 97 59.184 59.184 58.813 0.371 19752 3375 1 5 . 1 1 97 97 ILE CB C 97 39.649 39.649 40.164 -0.515 19752 3376 1 5 . 1 1 97 97 ILE H H 97 8.893 8.893 9.082 -0.189 19752 3377 1 5 . 1 1 98 98 GLY N N 98 109.684 109.684 112.279 -2.595 19752 3378 1 5 . 1 1 98 98 GLY C C 98 172.048 172.048 172.373 -0.325 19752 3379 1 5 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.532 1.588 19752 3380 1 5 . 1 1 98 98 GLY H H 98 9.043 9.043 8.890 0.153 19752 3381 1 5 . 1 1 99 99 TYR N N 99 117.809 117.809 121.754 -3.945 19752 3382 1 5 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.106 -0.198 19752 3383 1 5 . 1 1 99 99 TYR C C 99 172.626 172.626 173.385 -0.759 19752 3384 1 5 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.725 1.534 19752 3385 1 5 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.641 -0.494 19752 3386 1 5 . 1 1 99 99 TYR H H 99 8.434 8.434 8.365 0.069 19752 3387 1 5 . 1 1 100 100 ASN N N 100 117.139 117.139 119.491 -2.352 19752 3388 1 5 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.044 0.242 19752 3389 1 5 . 1 1 100 100 ASN C C 100 175.315 175.315 174.809 0.506 19752 3390 1 5 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.645 -0.659 19752 3391 1 5 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.803 -1.428 19752 3392 1 5 . 1 1 100 100 ASN H H 100 8.844 8.844 8.772 0.072 19752 3393 1 5 . 1 1 101 101 ALA N N 101 126.218 126.218 126.730 -0.512 19752 3394 1 5 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.763 -0.126 19752 3395 1 5 . 1 1 101 101 ALA C C 101 179.095 179.095 178.933 0.162 19752 3396 1 5 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.994 0.218 19752 3397 1 5 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.077 0.565 19752 3398 1 5 . 1 1 101 101 ALA H H 101 8.870 8.870 8.721 0.149 19752 3399 1 5 . 1 1 102 102 TYR N N 102 121.067 121.067 118.471 2.596 19752 3400 1 5 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.205 0.134 19752 3401 1 5 . 1 1 102 102 TYR C C 102 175.986 175.986 175.833 0.153 19752 3402 1 5 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.412 -0.268 19752 3403 1 5 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.496 0.157 19752 3404 1 5 . 1 1 102 102 TYR H H 102 8.720 8.720 8.734 -0.014 19752 3405 1 5 . 1 1 103 103 ASN N N 103 115.289 115.289 116.594 -1.305 19752 3406 1 5 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.689 -0.277 19752 3407 1 5 . 1 1 103 103 ASN C C 103 175.963 175.963 175.790 0.173 19752 3408 1 5 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.633 -0.387 19752 3409 1 5 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.383 -1.138 19752 3410 1 5 . 1 1 103 103 ASN H H 103 7.490 7.490 7.810 -0.320 19752 3411 1 5 . 1 1 104 104 GLY N N 104 107.204 107.204 107.976 -0.772 19752 3412 1 5 . 1 1 104 104 GLY C C 104 174.620 174.620 173.689 0.931 19752 3413 1 5 . 1 1 104 104 GLY CA C 104 45.128 45.128 44.970 0.158 19752 3414 1 5 . 1 1 104 104 GLY H H 104 8.020 8.020 8.199 -0.179 19752 3415 1 5 . 1 1 105 105 ASN N N 105 118.581 118.581 119.511 -0.930 19752 3416 1 5 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.464 0.112 19752 3417 1 5 . 1 1 105 105 ASN C C 105 173.805 173.805 174.541 -0.736 19752 3418 1 5 . 1 1 105 105 ASN CA C 105 53.030 53.030 53.125 -0.095 19752 3419 1 5 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.241 -0.257 19752 3420 1 5 . 1 1 105 105 ASN H H 105 7.703 7.703 7.842 -0.139 19752 3421 1 5 . 1 1 106 106 ARG N N 106 123.191 123.191 125.370 -2.179 19752 3422 1 5 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.624 -0.060 19752 3423 1 5 . 1 1 106 106 ARG C C 106 174.360 174.360 175.235 -0.875 19752 3424 1 5 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.607 -0.945 19752 3425 1 5 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.064 0.543 19752 3426 1 5 . 1 1 106 106 ARG H H 106 8.635 8.635 8.462 0.173 19752 3427 1 5 . 1 1 107 107 VAL N N 107 128.482 128.482 126.219 2.263 19752 3428 1 5 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.212 0.341 19752 3429 1 5 . 1 1 107 107 VAL C C 107 172.290 172.290 174.055 -1.765 19752 3430 1 5 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.174 -0.490 19752 3431 1 5 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.818 0.659 19752 3432 1 5 . 1 1 107 107 VAL H H 107 8.668 8.668 8.075 0.593 19752 3433 1 5 . 1 1 108 108 TYR N N 108 119.055 119.055 123.992 -4.937 19752 3434 1 5 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.804 -0.311 19752 3435 1 5 . 1 1 108 108 TYR C C 108 175.215 175.215 175.364 -0.149 19752 3436 1 5 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.282 0.290 19752 3437 1 5 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.994 0.441 19752 3438 1 5 . 1 1 108 108 TYR H H 108 8.944 8.944 9.251 -0.307 19752 3439 1 5 . 1 1 109 109 CYS N N 109 124.377 124.377 121.773 2.604 19752 3440 1 5 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.207 0.238 19752 3441 1 5 . 1 1 109 109 CYS C C 109 171.899 171.899 173.588 -1.689 19752 3442 1 5 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.038 -0.873 19752 3443 1 5 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.387 -1.584 19752 3444 1 5 . 1 1 109 109 CYS H H 109 9.675 9.675 8.793 0.882 19752 3445 1 5 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.089 1.090 19752 3446 1 5 . 1 1 110 110 PRO C C 110 175.490 175.490 177.397 -1.907 19752 3447 1 5 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.292 -1.694 19752 3448 1 5 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.048 -1.592 19752 3449 1 5 . 1 1 111 111 VAL N N 111 109.293 109.293 110.647 -1.354 19752 3450 1 5 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.427 0.982 19752 3451 1 5 . 1 1 111 111 VAL C C 111 173.598 173.598 173.899 -0.301 19752 3452 1 5 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.720 -3.627 19752 3453 1 5 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.098 3.423 19752 3454 1 5 . 1 1 111 111 VAL H H 111 8.382 8.382 7.473 0.909 19752 3455 1 5 . 1 1 112 112 ARG N N 112 110.825 110.825 114.856 -4.031 19752 3456 1 5 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.127 -0.969 19752 3457 1 5 . 1 1 112 112 ARG C C 112 175.480 175.480 174.060 1.420 19752 3458 1 5 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.800 0.650 19752 3459 1 5 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.142 -0.996 19752 3460 1 5 . 1 1 112 112 ARG H H 112 6.735 6.735 7.845 -1.110 19752 3461 1 5 . 1 1 113 113 THR N N 113 111.002 111.002 114.843 -3.841 19752 3462 1 5 . 1 1 113 113 THR HA H 113 4.238 4.238 4.604 -0.366 19752 3463 1 5 . 1 1 113 113 THR C C 113 174.123 174.123 173.354 0.769 19752 3464 1 5 . 1 1 113 113 THR CA C 113 62.468 62.468 62.714 -0.246 19752 3465 1 5 . 1 1 113 113 THR CB C 113 70.502 70.502 69.650 0.852 19752 3466 1 5 . 1 1 113 113 THR H H 113 8.898 8.898 7.665 1.233 19752 3467 1 5 . 1 1 114 114 CYS N N 114 119.522 119.522 127.164 -7.642 19752 3468 1 5 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.354 -0.839 19752 3469 1 5 . 1 1 114 114 CYS C C 114 172.669 172.669 172.229 0.440 19752 3470 1 5 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.431 2.186 19752 3471 1 5 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.813 -1.268 19752 3472 1 5 . 1 1 114 114 CYS H H 114 7.936 7.936 8.300 -0.364 19752 3473 1 5 . 1 1 115 115 GLN N N 115 129.342 129.342 126.033 3.309 19752 3474 1 5 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.643 -0.015 19752 3475 1 5 . 1 1 115 115 GLN C C 115 175.456 175.456 175.187 0.269 19752 3476 1 5 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.457 -0.215 19752 3477 1 5 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.193 -0.017 19752 3478 1 5 . 1 1 115 115 GLN H H 115 7.963 7.963 8.237 -0.274 19752 3479 1 5 . 1 1 116 116 GLY N N 116 112.311 112.311 108.108 4.203 19752 3480 1 5 . 1 1 116 116 GLY C C 116 171.907 171.907 171.865 0.042 19752 3481 1 5 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.938 -0.721 19752 3482 1 5 . 1 1 116 116 GLY H H 116 8.591 8.591 8.213 0.378 19752 3483 1 5 . 1 1 117 117 VAL N N 117 110.113 110.113 113.667 -3.554 19752 3484 1 5 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.569 -0.431 19752 3485 1 5 . 1 1 117 117 VAL C C 117 171.857 171.857 173.138 -1.281 19752 3486 1 5 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.791 0.166 19752 3487 1 5 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.745 -2.196 19752 3488 1 5 . 1 1 117 117 VAL H H 117 7.745 7.745 7.741 0.004 19752 3489 1 5 . 1 1 118 118 PRO HA H 118 4.496 4.496 4.103 0.393 19752 3490 1 5 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.596 -1.106 19752 3491 1 5 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.547 -0.786 19752 3492 1 5 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.448 -0.072 19752 3493 1 5 . 1 1 119 119 PRO C C 119 176.006 176.006 176.318 -0.312 19752 3494 1 5 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.668 0.488 19752 3495 1 5 . 1 1 119 119 PRO CB C 119 34.035 34.035 33.156 0.879 19752 3496 1 5 . 1 1 120 120 ASN N N 120 124.472 124.472 119.477 4.995 19752 3497 1 5 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.648 0.256 19752 3498 1 5 . 1 1 120 120 ASN C C 120 172.963 172.963 173.760 -0.797 19752 3499 1 5 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.049 0.066 19752 3500 1 5 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.454 0.773 19752 3501 1 5 . 1 1 120 120 ASN H H 120 8.414 8.414 7.787 0.627 19752 3502 1 5 . 1 1 121 121 HIS N N 121 120.276 120.276 120.062 0.214 19752 3503 1 5 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.854 -0.427 19752 3504 1 5 . 1 1 121 121 HIS C C 121 174.788 174.788 174.251 0.537 19752 3505 1 5 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.746 1.954 19752 3506 1 5 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.472 0.236 19752 3507 1 5 . 1 1 121 121 HIS H H 121 8.591 8.591 7.790 0.801 19752 3508 1 5 . 1 1 122 122 ILE N N 122 120.474 120.474 126.102 -5.628 19752 3509 1 5 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.362 -0.017 19752 3510 1 5 . 1 1 122 122 ILE C C 122 174.718 174.718 174.872 -0.154 19752 3511 1 5 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.538 -0.408 19752 3512 1 5 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.405 1.365 19752 3513 1 5 . 1 1 122 122 ILE H H 122 8.883 8.883 8.963 -0.080 19752 3514 1 5 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.647 -0.151 19752 3515 1 5 . 1 1 123 123 PRO C C 123 177.104 177.104 176.079 1.025 19752 3516 1 5 . 1 1 123 123 PRO CA C 123 62.607 62.607 62.218 0.389 19752 3517 1 5 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.218 0.311 19752 3518 1 5 . 1 1 124 124 GLY N N 124 111.030 111.030 111.766 -0.736 19752 3519 1 5 . 1 1 124 124 GLY C C 124 173.906 173.906 173.251 0.655 19752 3520 1 5 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.142 -1.025 19752 3521 1 5 . 1 1 124 124 GLY H H 124 8.553 8.553 8.147 0.406 19752 3522 1 5 . 1 1 125 125 VAL N N 125 121.916 121.916 121.503 0.413 19752 3523 1 5 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.778 0.142 19752 3524 1 5 . 1 1 125 125 VAL C C 125 176.148 176.148 175.179 0.969 19752 3525 1 5 . 1 1 125 125 VAL CA C 125 63.638 63.638 63.397 0.241 19752 3526 1 5 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.878 0.239 19752 3527 1 5 . 1 1 125 125 VAL H H 125 8.493 8.493 8.155 0.338 19752 3528 1 5 . 1 1 126 126 ALA N N 126 127.872 127.872 129.971 -2.099 19752 3529 1 5 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.250 0.240 19752 3530 1 5 . 1 1 126 126 ALA C C 126 179.447 179.447 177.125 2.322 19752 3531 1 5 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.990 1.679 19752 3532 1 5 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.559 0.069 19752 3533 1 5 . 1 1 126 126 ALA H H 126 8.835 8.835 8.203 0.632 19752 3534 1 5 . 1 1 127 127 TRP N N 127 121.928 121.928 124.330 -2.402 19752 3535 1 5 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.897 0.216 19752 3536 1 5 . 1 1 127 127 TRP C C 127 174.684 174.684 175.489 -0.805 19752 3537 1 5 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.273 -0.643 19752 3538 1 5 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.195 -2.041 19752 3539 1 5 . 1 1 127 127 TRP H H 127 8.555 8.555 8.658 -0.103 19752 3540 1 5 . 1 1 128 128 GLY N N 128 103.981 103.981 105.501 -1.520 19752 3541 1 5 . 1 1 128 128 GLY C C 128 171.694 171.694 172.520 -0.826 19752 3542 1 5 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.687 1.002 19752 3543 1 5 . 1 1 128 128 GLY H H 128 7.280 7.280 7.596 -0.316 19752 3544 1 5 . 1 1 129 129 VAL N N 129 119.078 119.078 120.344 -1.266 19752 3545 1 5 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.461 -0.118 19752 3546 1 5 . 1 1 129 129 VAL C C 129 173.255 173.255 174.756 -1.501 19752 3547 1 5 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.387 0.274 19752 3548 1 5 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.445 1.106 19752 3549 1 5 . 1 1 129 129 VAL H H 129 8.274 8.274 8.342 -0.068 19752 3550 1 5 . 1 1 130 130 PHE N N 130 122.633 122.633 125.576 -2.943 19752 3551 1 5 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.415 0.129 19752 3552 1 5 . 1 1 130 130 PHE C C 130 175.771 175.771 175.785 -0.014 19752 3553 1 5 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.391 -0.215 19752 3554 1 5 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.299 -0.629 19752 3555 1 5 . 1 1 130 130 PHE H H 130 8.464 8.464 8.723 -0.259 19752 3556 1 6 . 1 1 2 2 ASN HA H 2 4.766 4.766 5.117 -0.351 19752 3557 1 6 . 1 1 2 2 ASN C C 2 174.930 174.930 173.173 1.757 19752 3558 1 6 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.981 0.228 19752 3559 1 6 . 1 1 2 2 ASN CB C 2 39.213 39.213 40.337 -1.123 19752 3560 1 6 . 1 1 3 3 ALA N N 3 124.643 124.643 125.840 -1.197 19752 3561 1 6 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.535 -0.271 19752 3562 1 6 . 1 1 3 3 ALA C C 3 177.790 177.790 176.260 1.530 19752 3563 1 6 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.611 1.226 19752 3564 1 6 . 1 1 3 3 ALA CB C 3 19.240 19.240 21.397 -2.157 19752 3565 1 6 . 1 1 3 3 ALA H H 3 8.386 8.386 8.359 0.027 19752 3566 1 6 . 1 1 4 4 LYS N N 4 120.203 120.203 121.024 -0.821 19752 3567 1 6 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.256 -0.033 19752 3568 1 6 . 1 1 4 4 LYS C C 4 176.230 176.230 176.013 0.217 19752 3569 1 6 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.090 0.444 19752 3570 1 6 . 1 1 4 4 LYS CB C 4 32.811 32.811 33.006 -0.195 19752 3571 1 6 . 1 1 4 4 LYS H H 4 8.300 8.300 8.452 -0.152 19752 3572 1 6 . 1 1 5 5 ASN N N 5 119.229 119.229 123.834 -4.605 19752 3573 1 6 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.605 0.063 19752 3574 1 6 . 1 1 5 5 ASN C C 5 175.033 175.033 174.544 0.489 19752 3575 1 6 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.922 0.203 19752 3576 1 6 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.899 -0.122 19752 3577 1 6 . 1 1 5 5 ASN H H 5 8.320 8.320 8.594 -0.274 19752 3578 1 6 . 1 1 6 6 TYR N N 6 120.593 120.593 120.701 -0.108 19752 3579 1 6 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.214 0.296 19752 3580 1 6 . 1 1 6 6 TYR C C 6 175.554 175.554 175.345 0.209 19752 3581 1 6 . 1 1 6 6 TYR CA C 6 58.213 58.213 58.223 -0.010 19752 3582 1 6 . 1 1 6 6 TYR CB C 6 38.601 38.601 37.896 0.705 19752 3583 1 6 . 1 1 6 6 TYR H H 6 8.087 8.087 8.336 -0.249 19752 3584 1 6 . 1 1 7 7 MET N N 7 121.477 121.477 123.303 -1.826 19752 3585 1 6 . 1 1 7 7 MET HA H 7 4.391 4.391 4.642 -0.251 19752 3586 1 6 . 1 1 7 7 MET C C 7 175.609 175.609 175.415 0.194 19752 3587 1 6 . 1 1 7 7 MET CA C 7 55.494 55.494 53.695 1.799 19752 3588 1 6 . 1 1 7 7 MET CB C 7 32.970 32.970 30.550 2.420 19752 3589 1 6 . 1 1 7 7 MET H H 7 8.121 8.121 8.571 -0.450 19752 3590 1 6 . 1 1 8 8 ASP N N 8 121.704 121.704 123.228 -1.524 19752 3591 1 6 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.745 -0.190 19752 3592 1 6 . 1 1 8 8 ASP C C 8 176.344 176.344 176.687 -0.343 19752 3593 1 6 . 1 1 8 8 ASP CA C 8 54.471 54.471 52.910 1.561 19752 3594 1 6 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.699 -0.377 19752 3595 1 6 . 1 1 8 8 ASP H H 8 8.189 8.189 7.885 0.304 19752 3596 1 6 . 1 1 9 9 LYS N N 9 122.168 122.168 116.378 5.790 19752 3597 1 6 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.075 0.232 19752 3598 1 6 . 1 1 9 9 LYS C C 9 177.267 177.267 176.118 1.149 19752 3599 1 6 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.416 0.206 19752 3600 1 6 . 1 1 9 9 LYS CB C 9 32.765 32.765 30.538 2.227 19752 3601 1 6 . 1 1 9 9 LYS H H 9 8.335 8.335 8.675 -0.340 19752 3602 1 6 . 1 1 10 10 GLY N N 10 109.505 109.505 108.375 1.130 19752 3603 1 6 . 1 1 10 10 GLY C C 10 174.568 174.568 174.126 0.442 19752 3604 1 6 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.325 1.258 19752 3605 1 6 . 1 1 10 10 GLY H H 10 8.497 8.497 8.152 0.345 19752 3606 1 6 . 1 1 11 11 THR N N 11 113.312 113.312 121.069 -7.757 19752 3607 1 6 . 1 1 11 11 THR HA H 11 4.396 4.396 4.114 0.282 19752 3608 1 6 . 1 1 11 11 THR C C 11 174.719 174.719 174.526 0.193 19752 3609 1 6 . 1 1 11 11 THR CA C 11 61.779 61.779 63.527 -1.748 19752 3610 1 6 . 1 1 11 11 THR CB C 11 69.963 69.963 68.707 1.256 19752 3611 1 6 . 1 1 11 11 THR H H 11 8.081 8.081 7.845 0.236 19752 3612 1 6 . 1 1 12 12 SER N N 12 118.272 118.272 120.860 -2.588 19752 3613 1 6 . 1 1 12 12 SER HA H 12 4.499 4.499 4.537 -0.038 19752 3614 1 6 . 1 1 12 12 SER C C 12 174.766 174.766 174.116 0.650 19752 3615 1 6 . 1 1 12 12 SER CA C 12 58.432 58.432 58.395 0.037 19752 3616 1 6 . 1 1 12 12 SER CB C 12 63.986 63.986 63.238 0.748 19752 3617 1 6 . 1 1 12 12 SER H H 12 8.413 8.413 8.443 -0.030 19752 3618 1 6 . 1 1 13 13 SER N N 13 118.106 118.106 117.378 0.728 19752 3619 1 6 . 1 1 13 13 SER HA H 13 4.518 4.518 4.612 -0.094 19752 3620 1 6 . 1 1 13 13 SER C C 13 174.674 174.674 174.752 -0.078 19752 3621 1 6 . 1 1 13 13 SER CA C 13 58.607 58.607 58.209 0.398 19752 3622 1 6 . 1 1 13 13 SER CB C 13 63.869 63.869 64.556 -0.688 19752 3623 1 6 . 1 1 13 13 SER H H 13 8.414 8.414 7.795 0.619 19752 3624 1 6 . 1 1 14 14 SER N N 14 117.724 117.724 117.471 0.253 19752 3625 1 6 . 1 1 14 14 SER HA H 14 4.535 4.535 4.440 0.095 19752 3626 1 6 . 1 1 14 14 SER C C 14 174.743 174.743 175.760 -1.017 19752 3627 1 6 . 1 1 14 14 SER CA C 14 58.630 58.630 59.800 -1.170 19752 3628 1 6 . 1 1 14 14 SER CB C 14 63.798 63.798 63.414 0.384 19752 3629 1 6 . 1 1 14 14 SER H H 14 8.379 8.379 8.549 -0.170 19752 3630 1 6 . 1 1 15 15 THR N N 15 116.549 116.549 114.429 2.120 19752 3631 1 6 . 1 1 15 15 THR HA H 15 4.336 4.336 4.015 0.321 19752 3632 1 6 . 1 1 15 15 THR C C 15 174.310 174.310 173.906 0.404 19752 3633 1 6 . 1 1 15 15 THR CA C 15 62.161 62.161 63.879 -1.718 19752 3634 1 6 . 1 1 15 15 THR CB C 15 69.603 69.603 68.057 1.546 19752 3635 1 6 . 1 1 15 15 THR H H 15 8.195 8.195 8.313 -0.118 19752 3636 1 6 . 1 1 16 16 VAL N N 16 123.406 123.406 122.141 1.265 19752 3637 1 6 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.146 -0.044 19752 3638 1 6 . 1 1 16 16 VAL C C 16 175.934 175.934 176.065 -0.131 19752 3639 1 6 . 1 1 16 16 VAL CA C 16 62.512 62.512 63.466 -0.954 19752 3640 1 6 . 1 1 16 16 VAL CB C 16 32.738 32.738 30.688 2.050 19752 3641 1 6 . 1 1 16 16 VAL H H 16 8.121 8.121 7.706 0.415 19752 3642 1 6 . 1 1 17 17 VAL N N 17 125.445 125.445 122.200 3.245 19752 3643 1 6 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.293 -0.208 19752 3644 1 6 . 1 1 17 17 VAL C C 17 176.102 176.102 176.259 -0.157 19752 3645 1 6 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.161 0.118 19752 3646 1 6 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.530 0.147 19752 3647 1 6 . 1 1 17 17 VAL H H 17 8.293 8.293 7.860 0.433 19752 3648 1 6 . 1 1 18 18 LYS N N 18 126.281 126.281 122.579 3.702 19752 3649 1 6 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.216 0.126 19752 3650 1 6 . 1 1 18 18 LYS C C 18 176.138 176.138 175.444 0.694 19752 3651 1 6 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.402 -0.197 19752 3652 1 6 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.528 1.618 19752 3653 1 6 . 1 1 18 18 LYS H H 18 8.478 8.478 7.825 0.653 19752 3654 1 6 . 1 1 19 19 ASP N N 19 121.904 121.904 123.530 -1.626 19752 3655 1 6 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.740 -0.176 19752 3656 1 6 . 1 1 19 19 ASP C C 19 176.698 176.698 175.566 1.132 19752 3657 1 6 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.117 0.268 19752 3658 1 6 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.559 -0.336 19752 3659 1 6 . 1 1 19 19 ASP H H 19 8.379 8.379 8.124 0.255 19752 3660 1 6 . 1 1 20 20 GLY N N 20 109.177 109.177 112.149 -2.972 19752 3661 1 6 . 1 1 20 20 GLY C C 20 174.374 174.374 173.703 0.671 19752 3662 1 6 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.023 0.615 19752 3663 1 6 . 1 1 20 20 GLY H H 20 8.390 8.390 8.176 0.214 19752 3664 1 6 . 1 1 21 21 LYS N N 21 120.814 120.814 123.922 -3.108 19752 3665 1 6 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.299 0.090 19752 3666 1 6 . 1 1 21 21 LYS C C 21 177.041 177.041 176.003 1.038 19752 3667 1 6 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.410 0.166 19752 3668 1 6 . 1 1 21 21 LYS CB C 21 33.090 33.090 31.307 1.783 19752 3669 1 6 . 1 1 21 21 LYS H H 21 8.229 8.229 8.365 -0.136 19752 3670 1 6 . 1 1 22 22 THR N N 22 115.105 115.105 117.814 -2.709 19752 3671 1 6 . 1 1 22 22 THR HA H 22 4.393 4.393 4.564 -0.171 19752 3672 1 6 . 1 1 22 22 THR C C 22 174.607 174.607 174.185 0.422 19752 3673 1 6 . 1 1 22 22 THR CA C 22 61.880 61.880 61.043 0.837 19752 3674 1 6 . 1 1 22 22 THR CB C 22 69.736 69.736 69.951 -0.214 19752 3675 1 6 . 1 1 22 22 THR H H 22 8.237 8.237 7.889 0.348 19752 3676 1 6 . 1 1 24 24 SER HA H 24 4.486 4.486 4.229 0.257 19752 3677 1 6 . 1 1 24 24 SER C C 24 174.299 174.299 173.654 0.645 19752 3678 1 6 . 1 1 24 24 SER CA C 24 58.547 58.547 60.528 -1.981 19752 3679 1 6 . 1 1 24 24 SER CB C 24 63.787 63.787 63.565 0.222 19752 3680 1 6 . 1 1 25 25 ALA N N 25 125.891 125.891 123.859 2.032 19752 3681 1 6 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.565 -0.189 19752 3682 1 6 . 1 1 25 25 ALA C C 25 177.660 177.660 176.328 1.332 19752 3683 1 6 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.568 1.061 19752 3684 1 6 . 1 1 25 25 ALA CB C 25 19.291 19.291 20.053 -0.762 19752 3685 1 6 . 1 1 25 25 ALA H H 25 8.328 8.328 7.865 0.463 19752 3686 1 6 . 1 1 26 26 SER N N 26 115.155 115.155 117.801 -2.646 19752 3687 1 6 . 1 1 26 26 SER HA H 26 4.486 4.486 4.521 -0.035 19752 3688 1 6 . 1 1 26 26 SER C C 26 174.291 174.291 174.023 0.268 19752 3689 1 6 . 1 1 26 26 SER CA C 26 58.237 58.237 59.368 -1.131 19752 3690 1 6 . 1 1 26 26 SER CB C 26 63.917 63.917 64.007 -0.090 19752 3691 1 6 . 1 1 26 26 SER H H 26 8.267 8.267 8.829 -0.562 19752 3692 1 6 . 1 1 27 27 THR N N 27 118.324 118.324 113.517 4.807 19752 3693 1 6 . 1 1 27 27 THR HA H 27 4.627 4.627 4.775 -0.148 19752 3694 1 6 . 1 1 27 27 THR C C 27 172.782 172.782 172.701 0.081 19752 3695 1 6 . 1 1 27 27 THR CA C 27 59.748 59.748 60.209 -0.460 19752 3696 1 6 . 1 1 27 27 THR CB C 27 69.702 69.702 70.169 -0.467 19752 3697 1 6 . 1 1 27 27 THR H H 27 8.164 8.164 7.496 0.668 19752 3698 1 6 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.444 -0.041 19752 3699 1 6 . 1 1 28 28 PRO C C 28 176.630 176.630 176.485 0.145 19752 3700 1 6 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.446 -1.196 19752 3701 1 6 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.655 0.510 19752 3702 1 6 . 1 1 29 29 ALA N N 29 124.263 124.263 119.400 4.863 19752 3703 1 6 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.094 0.255 19752 3704 1 6 . 1 1 29 29 ALA C C 29 177.974 177.974 176.856 1.118 19752 3705 1 6 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.830 -0.175 19752 3706 1 6 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.928 1.349 19752 3707 1 6 . 1 1 29 29 ALA H H 29 8.432 8.432 7.909 0.523 19752 3708 1 6 . 1 1 30 30 THR N N 30 113.368 113.368 116.651 -3.283 19752 3709 1 6 . 1 1 30 30 THR HA H 30 4.281 4.281 4.333 -0.052 19752 3710 1 6 . 1 1 30 30 THR C C 30 174.257 174.257 174.167 0.090 19752 3711 1 6 . 1 1 30 30 THR CA C 30 61.656 61.656 63.507 -1.851 19752 3712 1 6 . 1 1 30 30 THR CB C 30 69.801 69.801 67.964 1.837 19752 3713 1 6 . 1 1 30 30 THR H H 30 8.106 8.106 8.282 -0.176 19752 3714 1 6 . 1 1 31 31 ARG N N 31 124.700 124.700 124.102 0.598 19752 3715 1 6 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.634 0.016 19752 3716 1 6 . 1 1 31 31 ARG C C 31 174.094 174.094 174.132 -0.038 19752 3717 1 6 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.501 -2.450 19752 3718 1 6 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.910 0.464 19752 3719 1 6 . 1 1 31 31 ARG H H 31 8.318 8.318 8.151 0.167 19752 3720 1 6 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.494 0.005 19752 3721 1 6 . 1 1 32 32 PRO C C 32 177.065 177.065 175.612 1.453 19752 3722 1 6 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.373 0.687 19752 3723 1 6 . 1 1 32 32 PRO CB C 32 32.157 32.157 30.538 1.619 19752 3724 1 6 . 1 1 33 33 VAL N N 33 120.890 120.890 127.708 -6.818 19752 3725 1 6 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.984 0.224 19752 3726 1 6 . 1 1 33 33 VAL C C 33 176.668 176.668 176.238 0.430 19752 3727 1 6 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.297 0.312 19752 3728 1 6 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.623 1.124 19752 3729 1 6 . 1 1 33 33 VAL H H 33 8.447 8.447 7.861 0.586 19752 3730 1 6 . 1 1 34 34 THR N N 34 116.709 116.709 119.158 -2.449 19752 3731 1 6 . 1 1 34 34 THR HA H 34 4.377 4.377 4.961 -0.584 19752 3732 1 6 . 1 1 34 34 THR C C 34 174.791 174.791 175.072 -0.281 19752 3733 1 6 . 1 1 34 34 THR CA C 34 61.700 61.700 60.404 1.296 19752 3734 1 6 . 1 1 34 34 THR CB C 34 69.697 69.697 70.173 -0.476 19752 3735 1 6 . 1 1 34 34 THR H H 34 8.221 8.221 7.653 0.568 19752 3736 1 6 . 1 1 35 35 GLY N N 35 111.182 111.182 111.241 -0.059 19752 3737 1 6 . 1 1 35 35 GLY C C 35 173.940 173.940 175.454 -1.514 19752 3738 1 6 . 1 1 35 35 GLY CA C 35 45.656 45.656 44.417 1.239 19752 3739 1 6 . 1 1 35 35 GLY H H 35 8.376 8.376 7.728 0.648 19752 3740 1 6 . 1 1 36 36 SER N N 36 116.779 116.779 115.742 1.037 19752 3741 1 6 . 1 1 36 36 SER HA H 36 4.456 4.456 4.622 -0.166 19752 3742 1 6 . 1 1 36 36 SER C C 36 173.880 173.880 173.345 0.535 19752 3743 1 6 . 1 1 36 36 SER CA C 36 58.255 58.255 58.724 -0.469 19752 3744 1 6 . 1 1 36 36 SER CB C 36 64.195 64.195 63.028 1.167 19752 3745 1 6 . 1 1 36 36 SER H H 36 8.456 8.456 8.591 -0.135 19752 3746 1 6 . 1 1 37 37 TRP N N 37 121.744 121.744 121.508 0.236 19752 3747 1 6 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.630 -0.102 19752 3748 1 6 . 1 1 37 37 TRP C C 37 176.500 176.500 176.553 -0.053 19752 3749 1 6 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.280 0.810 19752 3750 1 6 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.998 0.008 19752 3751 1 6 . 1 1 37 37 TRP H H 37 8.171 8.171 7.371 0.800 19752 3752 1 6 . 1 1 38 38 LYS N N 38 123.158 123.158 121.528 1.630 19752 3753 1 6 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.713 -0.087 19752 3754 1 6 . 1 1 38 38 LYS C C 38 172.839 172.839 175.413 -2.574 19752 3755 1 6 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.823 0.333 19752 3756 1 6 . 1 1 38 38 LYS CB C 38 36.656 36.656 34.903 1.753 19752 3757 1 6 . 1 1 38 38 LYS H H 38 8.736 8.736 9.106 -0.370 19752 3758 1 6 . 1 1 39 39 LYS N N 39 121.526 121.526 125.572 -4.046 19752 3759 1 6 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.044 0.696 19752 3760 1 6 . 1 1 39 39 LYS C C 39 177.510 177.510 176.085 1.425 19752 3761 1 6 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.710 -1.394 19752 3762 1 6 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.646 0.711 19752 3763 1 6 . 1 1 39 39 LYS H H 39 8.123 8.123 8.461 -0.338 19752 3764 1 6 . 1 1 40 40 ASN N N 40 123.988 123.988 124.865 -0.877 19752 3765 1 6 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.954 0.102 19752 3766 1 6 . 1 1 40 40 ASN C C 40 177.524 177.524 176.234 1.290 19752 3767 1 6 . 1 1 40 40 ASN CA C 40 50.840 50.840 51.926 -1.086 19752 3768 1 6 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.177 -2.021 19752 3769 1 6 . 1 1 40 40 ASN H H 40 8.583 8.583 8.950 -0.367 19752 3770 1 6 . 1 1 41 41 GLN N N 41 116.529 116.529 121.778 -5.249 19752 3771 1 6 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.035 0.025 19752 3772 1 6 . 1 1 41 41 GLN C C 41 175.829 175.829 176.017 -0.188 19752 3773 1 6 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.222 -0.461 19752 3774 1 6 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.360 -0.413 19752 3775 1 6 . 1 1 41 41 GLN H H 41 8.856 8.856 8.789 0.067 19752 3776 1 6 . 1 1 42 42 TYR N N 42 119.255 119.255 118.060 1.195 19752 3777 1 6 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.462 0.189 19752 3778 1 6 . 1 1 42 42 TYR C C 42 175.782 175.782 176.541 -0.759 19752 3779 1 6 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.310 -1.190 19752 3780 1 6 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.861 0.257 19752 3781 1 6 . 1 1 42 42 TYR H H 42 7.604 7.604 7.381 0.223 19752 3782 1 6 . 1 1 43 43 GLY N N 43 106.354 106.354 107.316 -0.962 19752 3783 1 6 . 1 1 43 43 GLY C C 43 173.297 173.297 174.279 -0.982 19752 3784 1 6 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.384 -0.221 19752 3785 1 6 . 1 1 43 43 GLY H H 43 7.993 7.993 7.906 0.087 19752 3786 1 6 . 1 1 44 44 THR N N 44 120.062 120.062 116.367 3.695 19752 3787 1 6 . 1 1 44 44 THR HA H 44 4.176 4.176 4.691 -0.515 19752 3788 1 6 . 1 1 44 44 THR C C 44 173.969 173.969 173.915 0.054 19752 3789 1 6 . 1 1 44 44 THR CA C 44 62.132 62.132 62.555 -0.423 19752 3790 1 6 . 1 1 44 44 THR CB C 44 68.989 68.989 70.145 -1.156 19752 3791 1 6 . 1 1 44 44 THR H H 44 7.781 7.781 7.259 0.522 19752 3792 1 6 . 1 1 45 45 TRP N N 45 129.666 129.666 126.256 3.410 19752 3793 1 6 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.486 0.190 19752 3794 1 6 . 1 1 45 45 TRP C C 45 175.999 175.999 176.217 -0.218 19752 3795 1 6 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.482 0.124 19752 3796 1 6 . 1 1 45 45 TRP CB C 45 30.641 30.641 31.165 -0.524 19752 3797 1 6 . 1 1 45 45 TRP H H 45 8.041 8.041 9.011 -0.970 19752 3798 1 6 . 1 1 46 46 TYR N N 46 122.938 122.938 118.333 4.605 19752 3799 1 6 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.300 0.038 19752 3800 1 6 . 1 1 46 46 TYR C C 46 173.663 173.663 173.592 0.071 19752 3801 1 6 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.374 0.933 19752 3802 1 6 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.655 1.470 19752 3803 1 6 . 1 1 46 46 TYR H H 46 10.329 10.329 9.606 0.723 19752 3804 1 6 . 1 1 47 47 LYS N N 47 118.986 118.986 118.397 0.589 19752 3805 1 6 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.744 0.027 19752 3806 1 6 . 1 1 47 47 LYS C C 47 172.462 172.462 173.800 -1.338 19752 3807 1 6 . 1 1 47 47 LYS CA C 47 53.712 53.712 53.333 0.379 19752 3808 1 6 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.485 -0.367 19752 3809 1 6 . 1 1 47 47 LYS H H 47 8.923 8.923 9.172 -0.249 19752 3810 1 6 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.943 -0.141 19752 3811 1 6 . 1 1 48 48 PRO C C 48 176.747 176.747 176.105 0.642 19752 3812 1 6 . 1 1 48 48 PRO CA C 48 62.665 62.665 63.114 -0.449 19752 3813 1 6 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.826 0.213 19752 3814 1 6 . 1 1 49 49 GLU N N 49 125.285 125.285 124.000 1.285 19752 3815 1 6 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.383 -0.395 19752 3816 1 6 . 1 1 49 49 GLU C C 49 170.927 170.927 174.504 -3.577 19752 3817 1 6 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.858 2.012 19752 3818 1 6 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.384 0.846 19752 3819 1 6 . 1 1 49 49 GLU H H 49 7.771 7.771 8.497 -0.726 19752 3820 1 6 . 1 1 50 50 ASN N N 50 122.328 122.328 123.661 -1.333 19752 3821 1 6 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.603 -0.205 19752 3822 1 6 . 1 1 50 50 ASN C C 50 173.648 173.648 174.551 -0.903 19752 3823 1 6 . 1 1 50 50 ASN CA C 50 51.686 51.686 53.117 -1.431 19752 3824 1 6 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.073 0.573 19752 3825 1 6 . 1 1 50 50 ASN H H 50 8.148 8.148 8.619 -0.471 19752 3826 1 6 . 1 1 51 51 ALA N N 51 126.527 126.527 127.244 -0.717 19752 3827 1 6 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.543 -0.090 19752 3828 1 6 . 1 1 51 51 ALA C C 51 172.872 172.872 174.804 -1.932 19752 3829 1 6 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.376 1.221 19752 3830 1 6 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.824 -3.154 19752 3831 1 6 . 1 1 51 51 ALA H H 51 7.085 7.085 8.182 -1.097 19752 3832 1 6 . 1 1 52 52 THR N N 52 112.831 112.831 115.670 -2.839 19752 3833 1 6 . 1 1 52 52 THR HA H 52 5.167 5.167 5.215 -0.048 19752 3834 1 6 . 1 1 52 52 THR C C 52 172.852 172.852 172.970 -0.118 19752 3835 1 6 . 1 1 52 52 THR CA C 52 62.232 62.232 61.905 0.327 19752 3836 1 6 . 1 1 52 52 THR CB C 52 71.068 71.068 70.729 0.339 19752 3837 1 6 . 1 1 52 52 THR H H 52 8.036 8.036 8.097 -0.061 19752 3838 1 6 . 1 1 53 53 PHE N N 53 127.883 127.883 127.935 -0.052 19752 3839 1 6 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.250 0.073 19752 3840 1 6 . 1 1 53 53 PHE C C 53 172.928 172.928 172.886 0.042 19752 3841 1 6 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.465 -0.190 19752 3842 1 6 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.882 0.323 19752 3843 1 6 . 1 1 53 53 PHE H H 53 9.714 9.714 9.475 0.239 19752 3844 1 6 . 1 1 54 54 VAL N N 54 127.284 127.284 128.183 -0.899 19752 3845 1 6 . 1 1 54 54 VAL HA H 54 4.320 4.320 3.965 0.355 19752 3846 1 6 . 1 1 54 54 VAL C C 54 175.842 175.842 173.926 1.916 19752 3847 1 6 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.838 -0.686 19752 3848 1 6 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.741 -0.003 19752 3849 1 6 . 1 1 54 54 VAL H H 54 8.583 8.583 8.784 -0.201 19752 3850 1 6 . 1 1 55 55 ASN N N 55 125.723 125.723 125.050 0.673 19752 3851 1 6 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.298 -0.138 19752 3852 1 6 . 1 1 55 55 ASN C C 55 176.333 176.333 175.144 1.189 19752 3853 1 6 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.619 0.970 19752 3854 1 6 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.830 -1.185 19752 3855 1 6 . 1 1 55 55 ASN H H 55 8.970 8.970 7.904 1.066 19752 3856 1 6 . 1 1 56 56 GLY N N 56 114.389 114.389 112.811 1.578 19752 3857 1 6 . 1 1 56 56 GLY C C 56 173.882 173.882 174.904 -1.022 19752 3858 1 6 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.110 -1.434 19752 3859 1 6 . 1 1 56 56 GLY H H 56 8.360 8.360 8.564 -0.204 19752 3860 1 6 . 1 1 57 57 ASN N N 57 115.511 115.511 119.230 -3.719 19752 3861 1 6 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.650 -0.139 19752 3862 1 6 . 1 1 57 57 ASN C C 57 174.741 174.741 175.435 -0.694 19752 3863 1 6 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.763 -0.549 19752 3864 1 6 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.989 -0.360 19752 3865 1 6 . 1 1 57 57 ASN H H 57 8.149 8.149 8.729 -0.580 19752 3866 1 6 . 1 1 58 58 GLN N N 58 118.128 118.128 115.798 2.330 19752 3867 1 6 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.694 0.266 19752 3868 1 6 . 1 1 58 58 GLN C C 58 172.603 172.603 172.846 -0.243 19752 3869 1 6 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.240 -0.607 19752 3870 1 6 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.365 1.203 19752 3871 1 6 . 1 1 58 58 GLN H H 58 7.702 7.702 7.913 -0.211 19752 3872 1 6 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.733 0.207 19752 3873 1 6 . 1 1 59 59 PRO C C 59 176.506 176.506 176.084 0.422 19752 3874 1 6 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.702 -0.446 19752 3875 1 6 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.194 0.466 19752 3876 1 6 . 1 1 60 60 ILE N N 60 120.974 120.974 125.562 -4.588 19752 3877 1 6 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.219 0.055 19752 3878 1 6 . 1 1 60 60 ILE C C 60 175.190 175.190 175.143 0.047 19752 3879 1 6 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.140 0.547 19752 3880 1 6 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.247 1.498 19752 3881 1 6 . 1 1 60 60 ILE H H 60 8.126 8.126 8.698 -0.572 19752 3882 1 6 . 1 1 61 61 VAL N N 61 128.224 128.224 127.870 0.354 19752 3883 1 6 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.061 0.052 19752 3884 1 6 . 1 1 61 61 VAL C C 61 175.973 175.973 175.529 0.444 19752 3885 1 6 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.206 2.070 19752 3886 1 6 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.745 -0.814 19752 3887 1 6 . 1 1 61 61 VAL H H 61 8.421 8.421 8.675 -0.254 19752 3888 1 6 . 1 1 62 62 THR N N 62 118.454 118.454 122.115 -3.661 19752 3889 1 6 . 1 1 62 62 THR HA H 62 5.021 5.021 4.910 0.111 19752 3890 1 6 . 1 1 62 62 THR C C 62 174.936 174.936 173.968 0.968 19752 3891 1 6 . 1 1 62 62 THR CA C 62 61.286 61.286 60.788 0.498 19752 3892 1 6 . 1 1 62 62 THR CB C 62 71.133 71.133 71.236 -0.103 19752 3893 1 6 . 1 1 62 62 THR H H 62 7.989 7.989 8.972 -0.983 19752 3894 1 6 . 1 1 63 63 ARG N N 63 118.225 118.225 120.101 -1.876 19752 3895 1 6 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.576 -0.147 19752 3896 1 6 . 1 1 63 63 ARG C C 63 175.607 175.607 175.210 0.397 19752 3897 1 6 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.188 -0.541 19752 3898 1 6 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.187 0.416 19752 3899 1 6 . 1 1 63 63 ARG H H 63 9.336 9.336 9.174 0.162 19752 3900 1 6 . 1 1 64 64 ILE N N 64 119.746 119.746 120.299 -0.553 19752 3901 1 6 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.510 -0.045 19752 3902 1 6 . 1 1 64 64 ILE C C 64 179.206 179.206 177.714 1.492 19752 3903 1 6 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.004 0.185 19752 3904 1 6 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.845 -0.597 19752 3905 1 6 . 1 1 64 64 ILE H H 64 8.741 8.741 8.218 0.523 19752 3906 1 6 . 1 1 65 65 GLY N N 65 116.059 116.059 117.636 -1.577 19752 3907 1 6 . 1 1 65 65 GLY C C 65 174.185 174.185 173.709 0.476 19752 3908 1 6 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.636 1.035 19752 3909 1 6 . 1 1 65 65 GLY H H 65 9.316 9.316 9.295 0.021 19752 3910 1 6 . 1 1 66 66 SER N N 66 114.840 114.840 114.543 0.297 19752 3911 1 6 . 1 1 66 66 SER HA H 66 4.160 4.160 4.036 0.124 19752 3912 1 6 . 1 1 66 66 SER C C 66 170.281 170.281 171.412 -1.131 19752 3913 1 6 . 1 1 66 66 SER CA C 66 56.207 56.207 55.070 1.137 19752 3914 1 6 . 1 1 66 66 SER CB C 66 63.737 63.737 65.505 -1.768 19752 3915 1 6 . 1 1 66 66 SER H H 66 7.412 7.412 7.385 0.027 19752 3916 1 6 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.634 -0.995 19752 3917 1 6 . 1 1 67 67 PRO C C 67 170.030 170.030 174.223 -4.193 19752 3918 1 6 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.296 -1.626 19752 3919 1 6 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.233 -5.323 19752 3920 1 6 . 1 1 68 68 PHE N N 68 111.778 111.778 118.775 -6.997 19752 3921 1 6 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.400 0.093 19752 3922 1 6 . 1 1 68 68 PHE C C 68 177.055 177.055 175.878 1.177 19752 3923 1 6 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.579 -0.951 19752 3924 1 6 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.654 1.704 19752 3925 1 6 . 1 1 68 68 PHE H H 68 6.610 6.610 6.931 -0.321 19752 3926 1 6 . 1 1 69 69 LEU N N 69 119.491 119.491 122.859 -3.368 19752 3927 1 6 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.432 -0.119 19752 3928 1 6 . 1 1 69 69 LEU C C 69 176.326 176.326 177.506 -1.180 19752 3929 1 6 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.434 -1.204 19752 3930 1 6 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.752 -0.882 19752 3931 1 6 . 1 1 69 69 LEU H H 69 8.388 8.388 8.536 -0.148 19752 3932 1 6 . 1 1 70 70 ASN N N 70 112.229 112.229 115.947 -3.718 19752 3933 1 6 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.754 0.088 19752 3934 1 6 . 1 1 70 70 ASN C C 70 175.620 175.620 174.725 0.895 19752 3935 1 6 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.124 -0.456 19752 3936 1 6 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.058 0.595 19752 3937 1 6 . 1 1 70 70 ASN H H 70 7.675 7.675 8.322 -0.647 19752 3938 1 6 . 1 1 71 71 ALA N N 71 123.955 123.955 124.451 -0.496 19752 3939 1 6 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.463 0.096 19752 3940 1 6 . 1 1 71 71 ALA C C 71 174.274 174.274 175.712 -1.438 19752 3941 1 6 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.640 0.830 19752 3942 1 6 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.252 -0.409 19752 3943 1 6 . 1 1 71 71 ALA H H 71 7.152 7.152 7.291 -0.139 19752 3944 1 6 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.255 0.158 19752 3945 1 6 . 1 1 72 72 PRO C C 72 176.342 176.342 175.842 0.500 19752 3946 1 6 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.839 -0.720 19752 3947 1 6 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.776 0.380 19752 3948 1 6 . 1 1 73 73 VAL N N 73 121.078 121.078 123.200 -2.122 19752 3949 1 6 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.272 0.012 19752 3950 1 6 . 1 1 73 73 VAL C C 73 177.864 177.864 177.073 0.791 19752 3951 1 6 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.391 2.886 19752 3952 1 6 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.178 -1.454 19752 3953 1 6 . 1 1 73 73 VAL H H 73 8.328 8.328 8.200 0.128 19752 3954 1 6 . 1 1 74 74 GLY N N 74 114.118 114.118 111.748 2.370 19752 3955 1 6 . 1 1 74 74 GLY C C 74 173.963 173.963 173.499 0.464 19752 3956 1 6 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.941 -0.157 19752 3957 1 6 . 1 1 74 74 GLY H H 74 8.781 8.781 8.681 0.100 19752 3958 1 6 . 1 1 75 75 GLY N N 75 107.324 107.324 107.292 0.032 19752 3959 1 6 . 1 1 75 75 GLY C C 75 173.460 173.460 171.505 1.955 19752 3960 1 6 . 1 1 75 75 GLY CA C 75 43.748 43.748 45.404 -1.656 19752 3961 1 6 . 1 1 75 75 GLY H H 75 7.278 7.278 8.072 -0.794 19752 3962 1 6 . 1 1 76 76 ASN N N 76 119.682 119.682 121.120 -1.438 19752 3963 1 6 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.272 0.150 19752 3964 1 6 . 1 1 76 76 ASN C C 76 175.760 175.760 173.901 1.859 19752 3965 1 6 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.507 -0.230 19752 3966 1 6 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.791 -2.578 19752 3967 1 6 . 1 1 76 76 ASN H H 76 8.797 8.797 8.448 0.349 19752 3968 1 6 . 1 1 77 77 LEU N N 77 129.545 129.545 126.783 2.762 19752 3969 1 6 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.009 -0.138 19752 3970 1 6 . 1 1 77 77 LEU C C 77 174.374 174.374 174.341 0.033 19752 3971 1 6 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.333 0.881 19752 3972 1 6 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.829 -0.758 19752 3973 1 6 . 1 1 77 77 LEU H H 77 10.083 10.083 9.072 1.011 19752 3974 1 6 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.568 -0.239 19752 3975 1 6 . 1 1 78 78 PRO C C 78 177.553 177.553 175.982 1.571 19752 3976 1 6 . 1 1 78 78 PRO CA C 78 62.581 62.581 61.929 0.652 19752 3977 1 6 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.889 -0.168 19752 3978 1 6 . 1 1 79 79 ALA N N 79 125.294 125.294 122.858 2.436 19752 3979 1 6 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.082 0.178 19752 3980 1 6 . 1 1 79 79 ALA C C 79 179.984 179.984 177.895 2.089 19752 3981 1 6 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.705 0.474 19752 3982 1 6 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.126 -0.880 19752 3983 1 6 . 1 1 79 79 ALA H H 79 8.585 8.585 8.146 0.439 19752 3984 1 6 . 1 1 80 80 GLY N N 80 110.970 110.970 110.882 0.088 19752 3985 1 6 . 1 1 80 80 GLY C C 80 173.499 173.499 173.926 -0.427 19752 3986 1 6 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.758 1.196 19752 3987 1 6 . 1 1 80 80 GLY H H 80 8.004 8.004 9.217 -1.213 19752 3988 1 6 . 1 1 81 81 ALA N N 81 122.249 122.249 125.141 -2.892 19752 3989 1 6 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.397 -0.146 19752 3990 1 6 . 1 1 81 81 ALA C C 81 175.709 175.709 176.017 -0.308 19752 3991 1 6 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.542 0.223 19752 3992 1 6 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.417 1.436 19752 3993 1 6 . 1 1 81 81 ALA H H 81 7.363 7.363 7.334 0.029 19752 3994 1 6 . 1 1 82 82 THR N N 82 114.980 114.980 120.120 -5.140 19752 3995 1 6 . 1 1 82 82 THR HA H 82 5.171 5.171 4.621 0.550 19752 3996 1 6 . 1 1 82 82 THR C C 82 174.618 174.618 173.739 0.879 19752 3997 1 6 . 1 1 82 82 THR CA C 82 62.118 62.118 62.456 -0.338 19752 3998 1 6 . 1 1 82 82 THR CB C 82 70.555 70.555 68.965 1.590 19752 3999 1 6 . 1 1 82 82 THR H H 82 8.181 8.181 8.324 -0.143 19752 4000 1 6 . 1 1 83 83 ILE N N 83 127.480 127.480 130.038 -2.558 19752 4001 1 6 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.313 0.091 19752 4002 1 6 . 1 1 83 83 ILE C C 83 173.926 173.926 174.145 -0.219 19752 4003 1 6 . 1 1 83 83 ILE CA C 83 58.339 58.339 59.095 -0.756 19752 4004 1 6 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.193 2.035 19752 4005 1 6 . 1 1 83 83 ILE H H 83 9.627 9.627 9.192 0.435 19752 4006 1 6 . 1 1 84 84 VAL N N 84 128.246 128.246 128.928 -0.682 19752 4007 1 6 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.624 0.049 19752 4008 1 6 . 1 1 84 84 VAL C C 84 175.501 175.501 174.847 0.654 19752 4009 1 6 . 1 1 84 84 VAL CA C 84 62.135 62.135 59.914 2.221 19752 4010 1 6 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.145 -1.489 19752 4011 1 6 . 1 1 84 84 VAL H H 84 8.059 8.059 8.401 -0.342 19752 4012 1 6 . 1 1 85 85 TYR N N 85 126.862 126.862 126.878 -0.016 19752 4013 1 6 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.857 0.568 19752 4014 1 6 . 1 1 85 85 TYR C C 85 174.273 174.273 174.897 -0.624 19752 4015 1 6 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.817 -0.006 19752 4016 1 6 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.496 1.780 19752 4017 1 6 . 1 1 85 85 TYR H H 85 8.840 8.840 8.683 0.157 19752 4018 1 6 . 1 1 86 86 ASP N N 86 115.086 115.086 119.218 -4.132 19752 4019 1 6 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.793 0.675 19752 4020 1 6 . 1 1 86 86 ASP C C 86 177.943 177.943 176.177 1.766 19752 4021 1 6 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.461 -0.258 19752 4022 1 6 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.668 0.907 19752 4023 1 6 . 1 1 86 86 ASP H H 86 8.843 8.843 8.854 -0.011 19752 4024 1 6 . 1 1 87 87 GLU N N 87 124.208 124.208 120.715 3.493 19752 4025 1 6 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.087 0.028 19752 4026 1 6 . 1 1 87 87 GLU C C 87 173.613 173.613 174.230 -0.617 19752 4027 1 6 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.810 -0.038 19752 4028 1 6 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.388 2.119 19752 4029 1 6 . 1 1 87 87 GLU H H 87 8.121 8.121 7.998 0.123 19752 4030 1 6 . 1 1 88 88 VAL N N 88 121.754 121.754 127.259 -5.505 19752 4031 1 6 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.601 1.113 19752 4032 1 6 . 1 1 88 88 VAL C C 88 175.480 175.480 175.094 0.386 19752 4033 1 6 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.822 -2.052 19752 4034 1 6 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.628 2.016 19752 4035 1 6 . 1 1 88 88 VAL H H 88 8.822 8.822 9.201 -0.379 19752 4036 1 6 . 1 1 89 89 CYS N N 89 118.234 118.234 126.304 -8.070 19752 4037 1 6 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.005 0.294 19752 4038 1 6 . 1 1 89 89 CYS C C 89 174.126 174.126 174.193 -0.067 19752 4039 1 6 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.706 -0.621 19752 4040 1 6 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.533 1.571 19752 4041 1 6 . 1 1 89 89 CYS H H 89 9.404 9.404 9.585 -0.181 19752 4042 1 6 . 1 1 90 90 ILE N N 90 122.085 122.085 124.349 -2.264 19752 4043 1 6 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.571 0.662 19752 4044 1 6 . 1 1 90 90 ILE C C 90 176.210 176.210 174.320 1.890 19752 4045 1 6 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.651 0.908 19752 4046 1 6 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.627 1.862 19752 4047 1 6 . 1 1 90 90 ILE H H 90 9.773 9.773 9.515 0.258 19752 4048 1 6 . 1 1 91 91 GLN N N 91 125.884 125.884 127.526 -1.642 19752 4049 1 6 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.898 -0.279 19752 4050 1 6 . 1 1 91 91 GLN C C 91 176.019 176.019 174.341 1.678 19752 4051 1 6 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.267 1.955 19752 4052 1 6 . 1 1 91 91 GLN CB C 91 31.193 31.193 33.234 -2.041 19752 4053 1 6 . 1 1 91 91 GLN H H 91 8.910 8.910 8.403 0.507 19752 4054 1 6 . 1 1 92 92 ALA N N 92 131.300 131.300 128.331 2.969 19752 4055 1 6 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.110 0.414 19752 4056 1 6 . 1 1 92 92 ALA C C 92 178.514 178.514 177.382 1.132 19752 4057 1 6 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.968 -0.502 19752 4058 1 6 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.823 0.446 19752 4059 1 6 . 1 1 92 92 ALA H H 92 9.888 9.888 8.845 1.043 19752 4060 1 6 . 1 1 93 93 GLY N N 93 107.622 107.622 112.865 -5.243 19752 4061 1 6 . 1 1 93 93 GLY C C 93 174.796 174.796 173.382 1.414 19752 4062 1 6 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.865 1.605 19752 4063 1 6 . 1 1 93 93 GLY H H 93 9.675 9.675 8.085 1.590 19752 4064 1 6 . 1 1 94 94 HIS N N 94 118.233 118.233 119.765 -1.532 19752 4065 1 6 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.208 -0.382 19752 4066 1 6 . 1 1 94 94 HIS C C 94 173.575 173.575 172.748 0.827 19752 4067 1 6 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.196 1.024 19752 4068 1 6 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.073 -2.340 19752 4069 1 6 . 1 1 94 94 HIS H H 94 8.337 8.337 8.304 0.033 19752 4070 1 6 . 1 1 95 95 ILE N N 95 118.964 118.964 121.409 -2.445 19752 4071 1 6 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.521 0.690 19752 4072 1 6 . 1 1 95 95 ILE C C 95 174.555 174.555 173.810 0.745 19752 4073 1 6 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.915 1.067 19752 4074 1 6 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.137 -1.354 19752 4075 1 6 . 1 1 95 95 ILE H H 95 8.116 8.116 7.856 0.260 19752 4076 1 6 . 1 1 96 96 TRP N N 96 127.092 127.092 129.362 -2.270 19752 4077 1 6 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.486 -0.009 19752 4078 1 6 . 1 1 96 96 TRP C C 96 176.216 176.216 176.148 0.068 19752 4079 1 6 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.994 -0.751 19752 4080 1 6 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.587 0.181 19752 4081 1 6 . 1 1 96 96 TRP H H 96 9.869 9.869 9.280 0.589 19752 4082 1 6 . 1 1 97 97 ILE N N 97 113.283 113.283 119.276 -5.993 19752 4083 1 6 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.069 0.403 19752 4084 1 6 . 1 1 97 97 ILE C C 97 175.278 175.278 175.260 0.018 19752 4085 1 6 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.169 0.015 19752 4086 1 6 . 1 1 97 97 ILE CB C 97 39.649 39.649 38.910 0.739 19752 4087 1 6 . 1 1 97 97 ILE H H 97 8.893 8.893 8.849 0.044 19752 4088 1 6 . 1 1 98 98 GLY N N 98 109.684 109.684 114.343 -4.659 19752 4089 1 6 . 1 1 98 98 GLY C C 98 172.048 172.048 172.421 -0.373 19752 4090 1 6 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.662 1.458 19752 4091 1 6 . 1 1 98 98 GLY H H 98 9.043 9.043 9.218 -0.175 19752 4092 1 6 . 1 1 99 99 TYR N N 99 117.809 117.809 120.999 -3.190 19752 4093 1 6 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.552 -0.644 19752 4094 1 6 . 1 1 99 99 TYR C C 99 172.626 172.626 173.210 -0.584 19752 4095 1 6 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.168 1.091 19752 4096 1 6 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.943 -0.796 19752 4097 1 6 . 1 1 99 99 TYR H H 99 8.434 8.434 8.576 -0.142 19752 4098 1 6 . 1 1 100 100 ASN N N 100 117.139 117.139 118.736 -1.597 19752 4099 1 6 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.260 0.026 19752 4100 1 6 . 1 1 100 100 ASN C C 100 175.315 175.315 173.702 1.613 19752 4101 1 6 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.690 0.296 19752 4102 1 6 . 1 1 100 100 ASN CB C 100 39.375 39.375 41.932 -2.557 19752 4103 1 6 . 1 1 100 100 ASN H H 100 8.844 8.844 8.537 0.307 19752 4104 1 6 . 1 1 101 101 ALA N N 101 126.218 126.218 123.064 3.154 19752 4105 1 6 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.826 -0.189 19752 4106 1 6 . 1 1 101 101 ALA C C 101 179.095 179.095 178.868 0.227 19752 4107 1 6 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.119 1.093 19752 4108 1 6 . 1 1 101 101 ALA CB C 101 20.642 20.642 21.273 -0.631 19752 4109 1 6 . 1 1 101 101 ALA H H 101 8.870 8.870 8.913 -0.043 19752 4110 1 6 . 1 1 102 102 TYR N N 102 121.067 121.067 116.999 4.068 19752 4111 1 6 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.338 0.001 19752 4112 1 6 . 1 1 102 102 TYR C C 102 175.986 175.986 176.487 -0.501 19752 4113 1 6 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.496 0.648 19752 4114 1 6 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.962 -0.310 19752 4115 1 6 . 1 1 102 102 TYR H H 102 8.720 8.720 8.445 0.275 19752 4116 1 6 . 1 1 103 103 ASN N N 103 115.289 115.289 119.117 -3.828 19752 4117 1 6 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.588 -0.176 19752 4118 1 6 . 1 1 103 103 ASN C C 103 175.963 175.963 176.376 -0.413 19752 4119 1 6 . 1 1 103 103 ASN CA C 103 52.246 52.246 53.728 -1.482 19752 4120 1 6 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.975 -1.730 19752 4121 1 6 . 1 1 103 103 ASN H H 103 7.490 7.490 8.010 -0.520 19752 4122 1 6 . 1 1 104 104 GLY N N 104 107.204 107.204 107.706 -0.502 19752 4123 1 6 . 1 1 104 104 GLY C C 104 174.620 174.620 172.957 1.663 19752 4124 1 6 . 1 1 104 104 GLY CA C 104 45.128 45.128 44.970 0.158 19752 4125 1 6 . 1 1 104 104 GLY H H 104 8.020 8.020 8.149 -0.129 19752 4126 1 6 . 1 1 105 105 ASN N N 105 118.581 118.581 116.696 1.885 19752 4127 1 6 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.709 -0.133 19752 4128 1 6 . 1 1 105 105 ASN C C 105 173.805 173.805 173.989 -0.184 19752 4129 1 6 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.702 1.328 19752 4130 1 6 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.019 -0.035 19752 4131 1 6 . 1 1 105 105 ASN H H 105 7.703 7.703 7.902 -0.199 19752 4132 1 6 . 1 1 106 106 ARG N N 106 123.191 123.191 122.316 0.875 19752 4133 1 6 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.488 0.076 19752 4134 1 6 . 1 1 106 106 ARG C C 106 174.360 174.360 175.010 -0.650 19752 4135 1 6 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.744 -1.082 19752 4136 1 6 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.384 0.223 19752 4137 1 6 . 1 1 106 106 ARG H H 106 8.635 8.635 8.666 -0.031 19752 4138 1 6 . 1 1 107 107 VAL N N 107 128.482 128.482 125.943 2.539 19752 4139 1 6 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.635 -0.082 19752 4140 1 6 . 1 1 107 107 VAL C C 107 172.290 172.290 173.791 -1.501 19752 4141 1 6 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.153 0.531 19752 4142 1 6 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.385 0.092 19752 4143 1 6 . 1 1 107 107 VAL H H 107 8.668 8.668 8.691 -0.023 19752 4144 1 6 . 1 1 108 108 TYR N N 108 119.055 119.055 123.518 -4.463 19752 4145 1 6 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.662 -0.169 19752 4146 1 6 . 1 1 108 108 TYR C C 108 175.215 175.215 174.959 0.256 19752 4147 1 6 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.135 0.438 19752 4148 1 6 . 1 1 108 108 TYR CB C 108 42.435 42.435 42.034 0.401 19752 4149 1 6 . 1 1 108 108 TYR H H 108 8.944 8.944 9.311 -0.367 19752 4150 1 6 . 1 1 109 109 CYS N N 109 124.377 124.377 121.924 2.453 19752 4151 1 6 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.184 0.261 19752 4152 1 6 . 1 1 109 109 CYS C C 109 171.899 171.899 173.704 -1.805 19752 4153 1 6 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.352 -1.188 19752 4154 1 6 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.446 -1.643 19752 4155 1 6 . 1 1 109 109 CYS H H 109 9.675 9.675 8.605 1.070 19752 4156 1 6 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.156 1.023 19752 4157 1 6 . 1 1 110 110 PRO C C 110 175.490 175.490 177.094 -1.604 19752 4158 1 6 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.172 -1.574 19752 4159 1 6 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.925 -1.469 19752 4160 1 6 . 1 1 111 111 VAL N N 111 109.293 109.293 111.388 -2.095 19752 4161 1 6 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.503 0.906 19752 4162 1 6 . 1 1 111 111 VAL C C 111 173.598 173.598 174.497 -0.899 19752 4163 1 6 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.113 -4.020 19752 4164 1 6 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.851 3.670 19752 4165 1 6 . 1 1 111 111 VAL H H 111 8.382 8.382 7.530 0.852 19752 4166 1 6 . 1 1 112 112 ARG N N 112 110.825 110.825 115.550 -4.725 19752 4167 1 6 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.954 -1.796 19752 4168 1 6 . 1 1 112 112 ARG C C 112 175.480 175.480 175.091 0.389 19752 4169 1 6 . 1 1 112 112 ARG CA C 112 54.449 54.449 54.136 0.312 19752 4170 1 6 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.217 -1.071 19752 4171 1 6 . 1 1 112 112 ARG H H 112 6.735 6.735 8.090 -1.355 19752 4172 1 6 . 1 1 113 113 THR N N 113 111.002 111.002 119.367 -8.365 19752 4173 1 6 . 1 1 113 113 THR HA H 113 4.238 4.238 4.499 -0.261 19752 4174 1 6 . 1 1 113 113 THR C C 113 174.123 174.123 174.224 -0.101 19752 4175 1 6 . 1 1 113 113 THR CA C 113 62.468 62.468 64.421 -1.954 19752 4176 1 6 . 1 1 113 113 THR CB C 113 70.502 70.502 69.174 1.328 19752 4177 1 6 . 1 1 113 113 THR H H 113 8.898 8.898 7.947 0.951 19752 4178 1 6 . 1 1 114 114 CYS N N 114 119.522 119.522 125.877 -6.355 19752 4179 1 6 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.282 -0.767 19752 4180 1 6 . 1 1 114 114 CYS C C 114 172.669 172.669 173.016 -0.347 19752 4181 1 6 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.883 1.734 19752 4182 1 6 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.451 -0.905 19752 4183 1 6 . 1 1 114 114 CYS H H 114 7.936 7.936 8.431 -0.495 19752 4184 1 6 . 1 1 115 115 GLN N N 115 129.342 129.342 122.093 7.249 19752 4185 1 6 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.594 0.034 19752 4186 1 6 . 1 1 115 115 GLN C C 115 175.456 175.456 175.027 0.429 19752 4187 1 6 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.314 -0.072 19752 4188 1 6 . 1 1 115 115 GLN CB C 115 31.176 31.176 33.266 -2.090 19752 4189 1 6 . 1 1 115 115 GLN H H 115 7.963 7.963 8.798 -0.835 19752 4190 1 6 . 1 1 116 116 GLY N N 116 112.311 112.311 108.862 3.449 19752 4191 1 6 . 1 1 116 116 GLY C C 116 171.907 171.907 172.356 -0.449 19752 4192 1 6 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.285 -1.068 19752 4193 1 6 . 1 1 116 116 GLY H H 116 8.591 8.591 8.231 0.360 19752 4194 1 6 . 1 1 117 117 VAL N N 117 110.113 110.113 116.202 -6.089 19752 4195 1 6 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.476 -0.338 19752 4196 1 6 . 1 1 117 117 VAL C C 117 171.857 171.857 173.712 -1.855 19752 4197 1 6 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.625 0.332 19752 4198 1 6 . 1 1 117 117 VAL CB C 117 32.549 32.549 32.927 -0.378 19752 4199 1 6 . 1 1 117 117 VAL H H 117 7.745 7.745 7.751 -0.006 19752 4200 1 6 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.974 0.522 19752 4201 1 6 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.577 -1.087 19752 4202 1 6 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.942 -1.182 19752 4203 1 6 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.263 0.113 19752 4204 1 6 . 1 1 119 119 PRO C C 119 176.006 176.006 176.134 -0.128 19752 4205 1 6 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.612 1.544 19752 4206 1 6 . 1 1 119 119 PRO CB C 119 34.035 34.035 31.742 2.292 19752 4207 1 6 . 1 1 120 120 ASN N N 120 124.472 124.472 121.123 3.349 19752 4208 1 6 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.546 0.358 19752 4209 1 6 . 1 1 120 120 ASN C C 120 172.963 172.963 173.897 -0.934 19752 4210 1 6 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.938 0.177 19752 4211 1 6 . 1 1 120 120 ASN CB C 120 39.227 39.227 37.678 1.549 19752 4212 1 6 . 1 1 120 120 ASN H H 120 8.414 8.414 8.178 0.236 19752 4213 1 6 . 1 1 121 121 HIS N N 121 120.276 120.276 119.931 0.345 19752 4214 1 6 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.801 -0.374 19752 4215 1 6 . 1 1 121 121 HIS C C 121 174.788 174.788 174.181 0.607 19752 4216 1 6 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.788 1.912 19752 4217 1 6 . 1 1 121 121 HIS CB C 121 30.708 30.708 29.546 1.162 19752 4218 1 6 . 1 1 121 121 HIS H H 121 8.591 8.591 7.829 0.762 19752 4219 1 6 . 1 1 122 122 ILE N N 122 120.474 120.474 126.709 -6.235 19752 4220 1 6 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.379 -0.034 19752 4221 1 6 . 1 1 122 122 ILE C C 122 174.718 174.718 174.457 0.261 19752 4222 1 6 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.490 -0.360 19752 4223 1 6 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.011 1.759 19752 4224 1 6 . 1 1 122 122 ILE H H 122 8.883 8.883 8.821 0.062 19752 4225 1 6 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.466 -0.970 19752 4226 1 6 . 1 1 123 123 PRO C C 123 177.104 177.104 176.222 0.882 19752 4227 1 6 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.732 0.875 19752 4228 1 6 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.865 -0.336 19752 4229 1 6 . 1 1 124 124 GLY N N 124 111.030 111.030 108.210 2.820 19752 4230 1 6 . 1 1 124 124 GLY C C 124 173.906 173.906 173.527 0.379 19752 4231 1 6 . 1 1 124 124 GLY CA C 124 43.117 43.117 45.006 -1.889 19752 4232 1 6 . 1 1 124 124 GLY H H 124 8.553 8.553 8.409 0.144 19752 4233 1 6 . 1 1 125 125 VAL N N 125 121.916 121.916 123.780 -1.864 19752 4234 1 6 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.948 -0.028 19752 4235 1 6 . 1 1 125 125 VAL C C 125 176.148 176.148 174.015 2.133 19752 4236 1 6 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.390 2.248 19752 4237 1 6 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.166 -0.048 19752 4238 1 6 . 1 1 125 125 VAL H H 125 8.493 8.493 7.414 1.079 19752 4239 1 6 . 1 1 126 126 ALA N N 126 127.872 127.872 130.298 -2.426 19752 4240 1 6 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.423 0.067 19752 4241 1 6 . 1 1 126 126 ALA C C 126 179.447 179.447 177.596 1.851 19752 4242 1 6 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.105 1.564 19752 4243 1 6 . 1 1 126 126 ALA CB C 126 20.628 20.628 19.757 0.871 19752 4244 1 6 . 1 1 126 126 ALA H H 126 8.835 8.835 8.526 0.309 19752 4245 1 6 . 1 1 127 127 TRP N N 127 121.928 121.928 127.362 -5.434 19752 4246 1 6 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.875 0.238 19752 4247 1 6 . 1 1 127 127 TRP C C 127 174.684 174.684 175.627 -0.943 19752 4248 1 6 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.295 -0.666 19752 4249 1 6 . 1 1 127 127 TRP CB C 127 28.154 28.154 28.478 -0.324 19752 4250 1 6 . 1 1 127 127 TRP H H 127 8.555 8.555 8.852 -0.297 19752 4251 1 6 . 1 1 128 128 GLY N N 128 103.981 103.981 106.074 -2.093 19752 4252 1 6 . 1 1 128 128 GLY C C 128 171.694 171.694 172.539 -0.845 19752 4253 1 6 . 1 1 128 128 GLY CA C 128 45.689 45.689 45.061 0.628 19752 4254 1 6 . 1 1 128 128 GLY H H 128 7.280 7.280 7.647 -0.367 19752 4255 1 6 . 1 1 129 129 VAL N N 129 119.078 119.078 121.738 -2.660 19752 4256 1 6 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.519 -0.176 19752 4257 1 6 . 1 1 129 129 VAL C C 129 173.255 173.255 174.569 -1.314 19752 4258 1 6 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.164 -0.503 19752 4259 1 6 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.687 1.864 19752 4260 1 6 . 1 1 129 129 VAL H H 129 8.274 8.274 7.845 0.429 19752 4261 1 6 . 1 1 130 130 PHE N N 130 122.633 122.633 127.246 -4.613 19752 4262 1 6 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.241 0.303 19752 4263 1 6 . 1 1 130 130 PHE C C 130 175.771 175.771 175.558 0.213 19752 4264 1 6 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.220 -0.044 19752 4265 1 6 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.834 -1.164 19752 4266 1 6 . 1 1 130 130 PHE H H 130 8.464 8.464 8.858 -0.394 19752 4267 1 7 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.737 0.029 19752 4268 1 7 . 1 1 2 2 ASN C C 2 174.930 174.930 175.331 -0.401 19752 4269 1 7 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.953 0.257 19752 4270 1 7 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.571 0.642 19752 4271 1 7 . 1 1 3 3 ALA N N 3 124.643 124.643 123.040 1.603 19752 4272 1 7 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.108 0.156 19752 4273 1 7 . 1 1 3 3 ALA C C 3 177.790 177.790 177.011 0.779 19752 4274 1 7 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.469 0.367 19752 4275 1 7 . 1 1 3 3 ALA CB C 3 19.240 19.240 18.817 0.423 19752 4276 1 7 . 1 1 3 3 ALA H H 3 8.386 8.386 7.951 0.435 19752 4277 1 7 . 1 1 4 4 LYS N N 4 120.203 120.203 121.489 -1.286 19752 4278 1 7 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.394 -0.171 19752 4279 1 7 . 1 1 4 4 LYS C C 4 176.230 176.230 175.227 1.003 19752 4280 1 7 . 1 1 4 4 LYS CA C 4 56.534 56.534 55.088 1.446 19752 4281 1 7 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.913 -0.103 19752 4282 1 7 . 1 1 4 4 LYS H H 4 8.300 8.300 8.452 -0.152 19752 4283 1 7 . 1 1 5 5 ASN N N 5 119.229 119.229 120.888 -1.659 19752 4284 1 7 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.536 0.132 19752 4285 1 7 . 1 1 5 5 ASN C C 5 175.033 175.033 175.184 -0.151 19752 4286 1 7 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.308 -0.183 19752 4287 1 7 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.924 -0.147 19752 4288 1 7 . 1 1 5 5 ASN H H 5 8.320 8.320 8.627 -0.307 19752 4289 1 7 . 1 1 6 6 TYR N N 6 120.593 120.593 118.577 2.016 19752 4290 1 7 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.207 0.303 19752 4291 1 7 . 1 1 6 6 TYR C C 6 175.554 175.554 175.266 0.288 19752 4292 1 7 . 1 1 6 6 TYR CA C 6 58.213 58.213 58.518 -0.305 19752 4293 1 7 . 1 1 6 6 TYR CB C 6 38.601 38.601 35.695 2.906 19752 4294 1 7 . 1 1 6 6 TYR H H 6 8.087 8.087 8.307 -0.220 19752 4295 1 7 . 1 1 7 7 MET N N 7 121.477 121.477 118.452 3.025 19752 4296 1 7 . 1 1 7 7 MET HA H 7 4.391 4.391 4.443 -0.052 19752 4297 1 7 . 1 1 7 7 MET C C 7 175.609 175.609 175.490 0.119 19752 4298 1 7 . 1 1 7 7 MET CA C 7 55.494 55.494 56.061 -0.567 19752 4299 1 7 . 1 1 7 7 MET CB C 7 32.970 32.970 32.560 0.410 19752 4300 1 7 . 1 1 7 7 MET H H 7 8.121 8.121 7.810 0.311 19752 4301 1 7 . 1 1 8 8 ASP N N 8 121.704 121.704 124.391 -2.687 19752 4302 1 7 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.864 -0.309 19752 4303 1 7 . 1 1 8 8 ASP C C 8 176.344 176.344 175.471 0.873 19752 4304 1 7 . 1 1 8 8 ASP CA C 8 54.471 54.471 53.119 1.352 19752 4305 1 7 . 1 1 8 8 ASP CB C 8 41.322 41.322 42.897 -1.575 19752 4306 1 7 . 1 1 8 8 ASP H H 8 8.189 8.189 8.371 -0.182 19752 4307 1 7 . 1 1 9 9 LYS N N 9 122.168 122.168 118.014 4.154 19752 4308 1 7 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.623 -0.316 19752 4309 1 7 . 1 1 9 9 LYS C C 9 177.267 177.267 176.605 0.662 19752 4310 1 7 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.025 1.597 19752 4311 1 7 . 1 1 9 9 LYS CB C 9 32.765 32.765 34.371 -1.606 19752 4312 1 7 . 1 1 9 9 LYS H H 9 8.335 8.335 8.261 0.074 19752 4313 1 7 . 1 1 10 10 GLY N N 10 109.505 109.505 108.958 0.547 19752 4314 1 7 . 1 1 10 10 GLY C C 10 174.568 174.568 175.259 -0.691 19752 4315 1 7 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.274 0.309 19752 4316 1 7 . 1 1 10 10 GLY H H 10 8.497 8.497 8.592 -0.095 19752 4317 1 7 . 1 1 11 11 THR N N 11 113.312 113.312 118.751 -5.439 19752 4318 1 7 . 1 1 11 11 THR HA H 11 4.396 4.396 4.341 0.055 19752 4319 1 7 . 1 1 11 11 THR C C 11 174.719 174.719 176.203 -1.484 19752 4320 1 7 . 1 1 11 11 THR CA C 11 61.779 61.779 64.172 -2.393 19752 4321 1 7 . 1 1 11 11 THR CB C 11 69.963 69.963 69.049 0.914 19752 4322 1 7 . 1 1 11 11 THR H H 11 8.081 8.081 8.371 -0.290 19752 4323 1 7 . 1 1 12 12 SER N N 12 118.272 118.272 111.720 6.552 19752 4324 1 7 . 1 1 12 12 SER HA H 12 4.499 4.499 4.151 0.348 19752 4325 1 7 . 1 1 12 12 SER C C 12 174.766 174.766 173.903 0.863 19752 4326 1 7 . 1 1 12 12 SER CA C 12 58.432 58.432 60.309 -1.877 19752 4327 1 7 . 1 1 12 12 SER CB C 12 63.986 63.986 61.909 2.077 19752 4328 1 7 . 1 1 12 12 SER H H 12 8.413 8.413 8.593 -0.180 19752 4329 1 7 . 1 1 13 13 SER N N 13 118.106 118.106 118.849 -0.743 19752 4330 1 7 . 1 1 13 13 SER HA H 13 4.518 4.518 4.441 0.077 19752 4331 1 7 . 1 1 13 13 SER C C 13 174.674 174.674 174.970 -0.296 19752 4332 1 7 . 1 1 13 13 SER CA C 13 58.607 58.607 58.552 0.055 19752 4333 1 7 . 1 1 13 13 SER CB C 13 63.869 63.869 63.268 0.601 19752 4334 1 7 . 1 1 13 13 SER H H 13 8.414 8.414 7.965 0.450 19752 4335 1 7 . 1 1 14 14 SER N N 14 117.724 117.724 122.854 -5.130 19752 4336 1 7 . 1 1 14 14 SER HA H 14 4.535 4.535 4.452 0.083 19752 4337 1 7 . 1 1 14 14 SER C C 14 174.743 174.743 174.813 -0.070 19752 4338 1 7 . 1 1 14 14 SER CA C 14 58.630 58.630 59.587 -0.958 19752 4339 1 7 . 1 1 14 14 SER CB C 14 63.798 63.798 63.545 0.253 19752 4340 1 7 . 1 1 14 14 SER H H 14 8.379 8.379 8.694 -0.315 19752 4341 1 7 . 1 1 15 15 THR N N 15 116.549 116.549 119.045 -2.496 19752 4342 1 7 . 1 1 15 15 THR HA H 15 4.336 4.336 4.359 -0.023 19752 4343 1 7 . 1 1 15 15 THR C C 15 174.310 174.310 174.012 0.298 19752 4344 1 7 . 1 1 15 15 THR CA C 15 62.161 62.161 62.600 -0.439 19752 4345 1 7 . 1 1 15 15 THR CB C 15 69.603 69.603 69.451 0.152 19752 4346 1 7 . 1 1 15 15 THR H H 15 8.195 8.195 7.958 0.237 19752 4347 1 7 . 1 1 16 16 VAL N N 16 123.406 123.406 123.822 -0.416 19752 4348 1 7 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.158 -0.056 19752 4349 1 7 . 1 1 16 16 VAL C C 16 175.934 175.934 175.347 0.587 19752 4350 1 7 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.471 0.041 19752 4351 1 7 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.234 0.504 19752 4352 1 7 . 1 1 16 16 VAL H H 16 8.121 8.121 8.450 -0.329 19752 4353 1 7 . 1 1 17 17 VAL N N 17 125.445 125.445 126.730 -1.285 19752 4354 1 7 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.026 0.059 19752 4355 1 7 . 1 1 17 17 VAL C C 17 176.102 176.102 176.499 -0.397 19752 4356 1 7 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.591 -1.312 19752 4357 1 7 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.056 0.621 19752 4358 1 7 . 1 1 17 17 VAL H H 17 8.293 8.293 8.484 -0.191 19752 4359 1 7 . 1 1 18 18 LYS N N 18 126.281 126.281 118.960 7.321 19752 4360 1 7 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.215 0.127 19752 4361 1 7 . 1 1 18 18 LYS C C 18 176.138 176.138 176.734 -0.596 19752 4362 1 7 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.731 -0.526 19752 4363 1 7 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.167 0.979 19752 4364 1 7 . 1 1 18 18 LYS H H 18 8.478 8.478 8.056 0.422 19752 4365 1 7 . 1 1 19 19 ASP N N 19 121.904 121.904 119.964 1.940 19752 4366 1 7 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.537 0.027 19752 4367 1 7 . 1 1 19 19 ASP C C 19 176.698 176.698 175.918 0.780 19752 4368 1 7 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.177 0.208 19752 4369 1 7 . 1 1 19 19 ASP CB C 19 41.223 41.223 40.743 0.480 19752 4370 1 7 . 1 1 19 19 ASP H H 19 8.379 8.379 7.917 0.462 19752 4371 1 7 . 1 1 20 20 GLY N N 20 109.177 109.177 112.445 -3.268 19752 4372 1 7 . 1 1 20 20 GLY C C 20 174.374 174.374 173.507 0.867 19752 4373 1 7 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.690 0.948 19752 4374 1 7 . 1 1 20 20 GLY H H 20 8.390 8.390 8.229 0.161 19752 4375 1 7 . 1 1 21 21 LYS N N 21 120.814 120.814 121.785 -0.971 19752 4376 1 7 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.360 0.029 19752 4377 1 7 . 1 1 21 21 LYS C C 21 177.041 177.041 176.193 0.848 19752 4378 1 7 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.447 0.129 19752 4379 1 7 . 1 1 21 21 LYS CB C 21 33.090 33.090 31.644 1.446 19752 4380 1 7 . 1 1 21 21 LYS H H 21 8.229 8.229 7.907 0.322 19752 4381 1 7 . 1 1 22 22 THR N N 22 115.105 115.105 116.542 -1.437 19752 4382 1 7 . 1 1 22 22 THR HA H 22 4.393 4.393 4.475 -0.082 19752 4383 1 7 . 1 1 22 22 THR C C 22 174.607 174.607 174.387 0.220 19752 4384 1 7 . 1 1 22 22 THR CA C 22 61.880 61.880 60.249 1.631 19752 4385 1 7 . 1 1 22 22 THR CB C 22 69.736 69.736 69.409 0.327 19752 4386 1 7 . 1 1 22 22 THR H H 22 8.237 8.237 8.225 0.012 19752 4387 1 7 . 1 1 24 24 SER HA H 24 4.486 4.486 4.625 -0.139 19752 4388 1 7 . 1 1 24 24 SER C C 24 174.299 174.299 174.071 0.228 19752 4389 1 7 . 1 1 24 24 SER CA C 24 58.547 58.547 58.062 0.485 19752 4390 1 7 . 1 1 24 24 SER CB C 24 63.787 63.787 64.001 -0.214 19752 4391 1 7 . 1 1 25 25 ALA N N 25 125.891 125.891 128.852 -2.961 19752 4392 1 7 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.594 -0.218 19752 4393 1 7 . 1 1 25 25 ALA C C 25 177.660 177.660 177.209 0.451 19752 4394 1 7 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.811 0.818 19752 4395 1 7 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.902 0.389 19752 4396 1 7 . 1 1 25 25 ALA H H 25 8.328 8.328 8.757 -0.429 19752 4397 1 7 . 1 1 26 26 SER N N 26 115.155 115.155 118.907 -3.752 19752 4398 1 7 . 1 1 26 26 SER HA H 26 4.486 4.486 4.501 -0.015 19752 4399 1 7 . 1 1 26 26 SER C C 26 174.291 174.291 174.338 -0.047 19752 4400 1 7 . 1 1 26 26 SER CA C 26 58.237 58.237 58.461 -0.224 19752 4401 1 7 . 1 1 26 26 SER CB C 26 63.917 63.917 63.853 0.063 19752 4402 1 7 . 1 1 26 26 SER H H 26 8.267 8.267 8.919 -0.652 19752 4403 1 7 . 1 1 27 27 THR N N 27 118.324 118.324 118.200 0.124 19752 4404 1 7 . 1 1 27 27 THR HA H 27 4.627 4.627 4.225 0.402 19752 4405 1 7 . 1 1 27 27 THR C C 27 172.782 172.782 172.495 0.287 19752 4406 1 7 . 1 1 27 27 THR CA C 27 59.748 59.748 62.526 -2.777 19752 4407 1 7 . 1 1 27 27 THR CB C 27 69.702 69.702 68.803 0.899 19752 4408 1 7 . 1 1 27 27 THR H H 27 8.164 8.164 8.214 -0.050 19752 4409 1 7 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.376 0.027 19752 4410 1 7 . 1 1 28 28 PRO C C 28 176.630 176.630 175.535 1.095 19752 4411 1 7 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.888 0.362 19752 4412 1 7 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.898 1.267 19752 4413 1 7 . 1 1 29 29 ALA N N 29 124.263 124.263 126.113 -1.850 19752 4414 1 7 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.365 -0.016 19752 4415 1 7 . 1 1 29 29 ALA C C 29 177.974 177.974 178.652 -0.678 19752 4416 1 7 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.870 -1.215 19752 4417 1 7 . 1 1 29 29 ALA CB C 29 19.277 19.277 19.376 -0.099 19752 4418 1 7 . 1 1 29 29 ALA H H 29 8.432 8.432 7.992 0.440 19752 4419 1 7 . 1 1 30 30 THR N N 30 113.368 113.368 113.279 0.089 19752 4420 1 7 . 1 1 30 30 THR HA H 30 4.281 4.281 4.164 0.117 19752 4421 1 7 . 1 1 30 30 THR C C 30 174.257 174.257 174.334 -0.077 19752 4422 1 7 . 1 1 30 30 THR CA C 30 61.656 61.656 62.497 -0.841 19752 4423 1 7 . 1 1 30 30 THR CB C 30 69.801 69.801 69.239 0.562 19752 4424 1 7 . 1 1 30 30 THR H H 30 8.106 8.106 8.386 -0.280 19752 4425 1 7 . 1 1 31 31 ARG N N 31 124.700 124.700 117.365 7.335 19752 4426 1 7 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.180 0.470 19752 4427 1 7 . 1 1 31 31 ARG C C 31 174.094 174.094 174.509 -0.415 19752 4428 1 7 . 1 1 31 31 ARG CA C 31 54.051 54.051 55.796 -1.745 19752 4429 1 7 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.431 0.943 19752 4430 1 7 . 1 1 31 31 ARG H H 31 8.318 8.318 8.134 0.184 19752 4431 1 7 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.354 0.145 19752 4432 1 7 . 1 1 32 32 PRO C C 32 177.065 177.065 176.172 0.893 19752 4433 1 7 . 1 1 32 32 PRO CA C 32 63.060 63.060 65.135 -2.075 19752 4434 1 7 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.982 0.175 19752 4435 1 7 . 1 1 33 33 VAL N N 33 120.890 120.890 113.520 7.370 19752 4436 1 7 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.300 -0.092 19752 4437 1 7 . 1 1 33 33 VAL C C 33 176.668 176.668 174.918 1.750 19752 4438 1 7 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.593 0.015 19752 4439 1 7 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.775 -0.028 19752 4440 1 7 . 1 1 33 33 VAL H H 33 8.447 8.447 7.724 0.723 19752 4441 1 7 . 1 1 34 34 THR N N 34 116.709 116.709 115.918 0.791 19752 4442 1 7 . 1 1 34 34 THR HA H 34 4.377 4.377 4.487 -0.110 19752 4443 1 7 . 1 1 34 34 THR C C 34 174.791 174.791 174.815 -0.024 19752 4444 1 7 . 1 1 34 34 THR CA C 34 61.700 61.700 62.148 -0.448 19752 4445 1 7 . 1 1 34 34 THR CB C 34 69.697 69.697 68.553 1.144 19752 4446 1 7 . 1 1 34 34 THR H H 34 8.221 8.221 7.947 0.274 19752 4447 1 7 . 1 1 35 35 GLY N N 35 111.182 111.182 112.936 -1.754 19752 4448 1 7 . 1 1 35 35 GLY C C 35 173.940 173.940 175.049 -1.109 19752 4449 1 7 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.356 0.300 19752 4450 1 7 . 1 1 35 35 GLY H H 35 8.376 8.376 8.020 0.356 19752 4451 1 7 . 1 1 36 36 SER N N 36 116.779 116.779 115.334 1.445 19752 4452 1 7 . 1 1 36 36 SER HA H 36 4.456 4.456 4.389 0.066 19752 4453 1 7 . 1 1 36 36 SER C C 36 173.880 173.880 174.470 -0.590 19752 4454 1 7 . 1 1 36 36 SER CA C 36 58.255 58.255 60.087 -1.832 19752 4455 1 7 . 1 1 36 36 SER CB C 36 64.195 64.195 63.904 0.291 19752 4456 1 7 . 1 1 36 36 SER H H 36 8.456 8.456 8.519 -0.063 19752 4457 1 7 . 1 1 37 37 TRP N N 37 121.744 121.744 121.254 0.490 19752 4458 1 7 . 1 1 37 37 TRP HA H 37 4.528 4.528 5.162 -0.634 19752 4459 1 7 . 1 1 37 37 TRP C C 37 176.500 176.500 175.632 0.868 19752 4460 1 7 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.203 0.887 19752 4461 1 7 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.133 0.874 19752 4462 1 7 . 1 1 37 37 TRP H H 37 8.171 8.171 7.821 0.350 19752 4463 1 7 . 1 1 38 38 LYS N N 38 123.158 123.158 120.986 2.172 19752 4464 1 7 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.839 -0.213 19752 4465 1 7 . 1 1 38 38 LYS C C 38 172.839 172.839 174.711 -1.872 19752 4466 1 7 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.692 1.464 19752 4467 1 7 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.682 -0.027 19752 4468 1 7 . 1 1 38 38 LYS H H 38 8.736 8.736 8.626 0.110 19752 4469 1 7 . 1 1 39 39 LYS N N 39 121.526 121.526 122.970 -1.444 19752 4470 1 7 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.901 0.839 19752 4471 1 7 . 1 1 39 39 LYS C C 39 177.510 177.510 176.190 1.320 19752 4472 1 7 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.229 -0.913 19752 4473 1 7 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.457 0.900 19752 4474 1 7 . 1 1 39 39 LYS H H 39 8.123 8.123 8.262 -0.139 19752 4475 1 7 . 1 1 40 40 ASN N N 40 123.988 123.988 125.447 -1.459 19752 4476 1 7 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.891 0.165 19752 4477 1 7 . 1 1 40 40 ASN C C 40 177.524 177.524 176.530 0.994 19752 4478 1 7 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.577 -1.737 19752 4479 1 7 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.108 -1.952 19752 4480 1 7 . 1 1 40 40 ASN H H 40 8.583 8.583 8.763 -0.180 19752 4481 1 7 . 1 1 41 41 GLN N N 41 116.529 116.529 122.717 -6.188 19752 4482 1 7 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.937 0.123 19752 4483 1 7 . 1 1 41 41 GLN C C 41 175.829 175.829 175.928 -0.099 19752 4484 1 7 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.970 -0.209 19752 4485 1 7 . 1 1 41 41 GLN CB C 41 27.947 27.947 27.576 0.371 19752 4486 1 7 . 1 1 41 41 GLN H H 41 8.856 8.856 8.601 0.255 19752 4487 1 7 . 1 1 42 42 TYR N N 42 119.255 119.255 118.049 1.206 19752 4488 1 7 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.506 0.145 19752 4489 1 7 . 1 1 42 42 TYR C C 42 175.782 175.782 176.467 -0.685 19752 4490 1 7 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.871 -0.751 19752 4491 1 7 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.403 -0.285 19752 4492 1 7 . 1 1 42 42 TYR H H 42 7.604 7.604 7.993 -0.389 19752 4493 1 7 . 1 1 43 43 GLY N N 43 106.354 106.354 108.496 -2.142 19752 4494 1 7 . 1 1 43 43 GLY C C 43 173.297 173.297 174.195 -0.898 19752 4495 1 7 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.225 -0.062 19752 4496 1 7 . 1 1 43 43 GLY H H 43 7.993 7.993 8.035 -0.042 19752 4497 1 7 . 1 1 44 44 THR N N 44 120.062 120.062 116.751 3.311 19752 4498 1 7 . 1 1 44 44 THR HA H 44 4.176 4.176 4.677 -0.501 19752 4499 1 7 . 1 1 44 44 THR C C 44 173.969 173.969 173.606 0.363 19752 4500 1 7 . 1 1 44 44 THR CA C 44 62.132 62.132 62.229 -0.097 19752 4501 1 7 . 1 1 44 44 THR CB C 44 68.989 68.989 70.440 -1.451 19752 4502 1 7 . 1 1 44 44 THR H H 44 7.781 7.781 7.207 0.574 19752 4503 1 7 . 1 1 45 45 TRP N N 45 129.666 129.666 127.789 1.877 19752 4504 1 7 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.323 0.353 19752 4505 1 7 . 1 1 45 45 TRP C C 45 175.999 175.999 176.261 -0.262 19752 4506 1 7 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.671 -0.065 19752 4507 1 7 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.735 -0.094 19752 4508 1 7 . 1 1 45 45 TRP H H 45 8.041 8.041 8.729 -0.688 19752 4509 1 7 . 1 1 46 46 TYR N N 46 122.938 122.938 119.669 3.269 19752 4510 1 7 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.009 0.329 19752 4511 1 7 . 1 1 46 46 TYR C C 46 173.663 173.663 173.506 0.157 19752 4512 1 7 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.327 0.980 19752 4513 1 7 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.257 1.868 19752 4514 1 7 . 1 1 46 46 TYR H H 46 10.329 10.329 9.481 0.848 19752 4515 1 7 . 1 1 47 47 LYS N N 47 118.986 118.986 117.899 1.087 19752 4516 1 7 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.057 -0.286 19752 4517 1 7 . 1 1 47 47 LYS C C 47 172.462 172.462 173.987 -1.525 19752 4518 1 7 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.311 1.401 19752 4519 1 7 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.116 0.002 19752 4520 1 7 . 1 1 47 47 LYS H H 47 8.923 8.923 9.214 -0.291 19752 4521 1 7 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.944 -0.142 19752 4522 1 7 . 1 1 48 48 PRO C C 48 176.747 176.747 176.008 0.739 19752 4523 1 7 . 1 1 48 48 PRO CA C 48 62.665 62.665 63.126 -0.461 19752 4524 1 7 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.743 0.296 19752 4525 1 7 . 1 1 49 49 GLU N N 49 125.285 125.285 124.268 1.017 19752 4526 1 7 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.503 -0.515 19752 4527 1 7 . 1 1 49 49 GLU C C 49 170.927 170.927 174.141 -3.214 19752 4528 1 7 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.648 2.222 19752 4529 1 7 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.367 0.862 19752 4530 1 7 . 1 1 49 49 GLU H H 49 7.771 7.771 8.406 -0.635 19752 4531 1 7 . 1 1 50 50 ASN N N 50 122.328 122.328 123.502 -1.174 19752 4532 1 7 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.446 -0.048 19752 4533 1 7 . 1 1 50 50 ASN C C 50 173.648 173.648 173.969 -0.321 19752 4534 1 7 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.120 -0.434 19752 4535 1 7 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.712 -0.065 19752 4536 1 7 . 1 1 50 50 ASN H H 50 8.148 8.148 8.489 -0.341 19752 4537 1 7 . 1 1 51 51 ALA N N 51 126.527 126.527 128.735 -2.208 19752 4538 1 7 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.544 -0.091 19752 4539 1 7 . 1 1 51 51 ALA C C 51 172.872 172.872 174.539 -1.667 19752 4540 1 7 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.034 0.563 19752 4541 1 7 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.483 -2.813 19752 4542 1 7 . 1 1 51 51 ALA H H 51 7.085 7.085 7.533 -0.448 19752 4543 1 7 . 1 1 52 52 THR N N 52 112.831 112.831 114.430 -1.599 19752 4544 1 7 . 1 1 52 52 THR HA H 52 5.167 5.167 5.146 0.021 19752 4545 1 7 . 1 1 52 52 THR C C 52 172.852 172.852 173.371 -0.519 19752 4546 1 7 . 1 1 52 52 THR CA C 52 62.232 62.232 61.591 0.641 19752 4547 1 7 . 1 1 52 52 THR CB C 52 71.068 71.068 70.713 0.354 19752 4548 1 7 . 1 1 52 52 THR H H 52 8.036 8.036 8.465 -0.429 19752 4549 1 7 . 1 1 53 53 PHE N N 53 127.883 127.883 126.407 1.476 19752 4550 1 7 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.333 -0.010 19752 4551 1 7 . 1 1 53 53 PHE C C 53 172.928 172.928 172.960 -0.032 19752 4552 1 7 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.944 -0.669 19752 4553 1 7 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.025 0.180 19752 4554 1 7 . 1 1 53 53 PHE H H 53 9.714 9.714 9.504 0.210 19752 4555 1 7 . 1 1 54 54 VAL N N 54 127.284 127.284 128.170 -0.886 19752 4556 1 7 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.401 -0.081 19752 4557 1 7 . 1 1 54 54 VAL C C 54 175.842 175.842 174.054 1.788 19752 4558 1 7 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.316 -0.165 19752 4559 1 7 . 1 1 54 54 VAL CB C 54 31.738 31.738 33.096 -1.357 19752 4560 1 7 . 1 1 54 54 VAL H H 54 8.583 8.583 8.783 -0.200 19752 4561 1 7 . 1 1 55 55 ASN N N 55 125.723 125.723 125.306 0.417 19752 4562 1 7 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.077 0.083 19752 4563 1 7 . 1 1 55 55 ASN C C 55 176.333 176.333 175.063 1.270 19752 4564 1 7 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.506 0.083 19752 4565 1 7 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.710 -1.065 19752 4566 1 7 . 1 1 55 55 ASN H H 55 8.970 8.970 8.075 0.895 19752 4567 1 7 . 1 1 56 56 GLY N N 56 114.389 114.389 109.261 5.128 19752 4568 1 7 . 1 1 56 56 GLY C C 56 173.882 173.882 174.432 -0.550 19752 4569 1 7 . 1 1 56 56 GLY CA C 56 44.676 44.676 44.818 -0.142 19752 4570 1 7 . 1 1 56 56 GLY H H 56 8.360 8.360 8.220 0.140 19752 4571 1 7 . 1 1 57 57 ASN N N 57 115.511 115.511 117.417 -1.906 19752 4572 1 7 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.619 -0.108 19752 4573 1 7 . 1 1 57 57 ASN C C 57 174.741 174.741 174.631 0.110 19752 4574 1 7 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.783 0.430 19752 4575 1 7 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.050 0.579 19752 4576 1 7 . 1 1 57 57 ASN H H 57 8.149 8.149 8.572 -0.423 19752 4577 1 7 . 1 1 58 58 GLN N N 58 118.128 118.128 117.676 0.452 19752 4578 1 7 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.793 0.167 19752 4579 1 7 . 1 1 58 58 GLN C C 58 172.603 172.603 173.332 -0.729 19752 4580 1 7 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.649 -0.016 19752 4581 1 7 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.283 1.285 19752 4582 1 7 . 1 1 58 58 GLN H H 58 7.702 7.702 7.746 -0.044 19752 4583 1 7 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.707 0.233 19752 4584 1 7 . 1 1 59 59 PRO C C 59 176.506 176.506 176.306 0.200 19752 4585 1 7 . 1 1 59 59 PRO CA C 59 62.256 62.256 63.033 -0.777 19752 4586 1 7 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.123 0.537 19752 4587 1 7 . 1 1 60 60 ILE N N 60 120.974 120.974 125.480 -4.506 19752 4588 1 7 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.278 -0.004 19752 4589 1 7 . 1 1 60 60 ILE C C 60 175.190 175.190 175.072 0.118 19752 4590 1 7 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.259 0.428 19752 4591 1 7 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.828 1.917 19752 4592 1 7 . 1 1 60 60 ILE H H 60 8.126 8.126 8.846 -0.720 19752 4593 1 7 . 1 1 61 61 VAL N N 61 128.224 128.224 128.395 -0.171 19752 4594 1 7 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.133 -0.020 19752 4595 1 7 . 1 1 61 61 VAL C C 61 175.973 175.973 175.601 0.372 19752 4596 1 7 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.371 1.905 19752 4597 1 7 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.742 -0.812 19752 4598 1 7 . 1 1 61 61 VAL H H 61 8.421 8.421 8.643 -0.222 19752 4599 1 7 . 1 1 62 62 THR N N 62 118.454 118.454 122.301 -3.847 19752 4600 1 7 . 1 1 62 62 THR HA H 62 5.021 5.021 4.803 0.218 19752 4601 1 7 . 1 1 62 62 THR C C 62 174.936 174.936 173.566 1.370 19752 4602 1 7 . 1 1 62 62 THR CA C 62 61.286 61.286 60.507 0.779 19752 4603 1 7 . 1 1 62 62 THR CB C 62 71.133 71.133 71.808 -0.675 19752 4604 1 7 . 1 1 62 62 THR H H 62 7.989 7.989 9.170 -1.181 19752 4605 1 7 . 1 1 63 63 ARG N N 63 118.225 118.225 118.339 -0.114 19752 4606 1 7 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.384 0.045 19752 4607 1 7 . 1 1 63 63 ARG C C 63 175.607 175.607 175.136 0.471 19752 4608 1 7 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.356 -0.709 19752 4609 1 7 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.486 0.117 19752 4610 1 7 . 1 1 63 63 ARG H H 63 9.336 9.336 8.995 0.341 19752 4611 1 7 . 1 1 64 64 ILE N N 64 119.746 119.746 120.502 -0.756 19752 4612 1 7 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.521 -0.056 19752 4613 1 7 . 1 1 64 64 ILE C C 64 179.206 179.206 177.448 1.758 19752 4614 1 7 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.635 -0.445 19752 4615 1 7 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.242 -0.994 19752 4616 1 7 . 1 1 64 64 ILE H H 64 8.741 8.741 8.715 0.026 19752 4617 1 7 . 1 1 65 65 GLY N N 65 116.059 116.059 116.651 -0.592 19752 4618 1 7 . 1 1 65 65 GLY C C 65 174.185 174.185 173.826 0.359 19752 4619 1 7 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.342 1.329 19752 4620 1 7 . 1 1 65 65 GLY H H 65 9.316 9.316 9.364 -0.048 19752 4621 1 7 . 1 1 66 66 SER N N 66 114.840 114.840 114.772 0.068 19752 4622 1 7 . 1 1 66 66 SER HA H 66 4.160 4.160 4.334 -0.174 19752 4623 1 7 . 1 1 66 66 SER C C 66 170.281 170.281 171.341 -1.060 19752 4624 1 7 . 1 1 66 66 SER CA C 66 56.207 56.207 55.843 0.364 19752 4625 1 7 . 1 1 66 66 SER CB C 66 63.737 63.737 65.114 -1.377 19752 4626 1 7 . 1 1 66 66 SER H H 66 7.412 7.412 7.236 0.176 19752 4627 1 7 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.756 -1.117 19752 4628 1 7 . 1 1 67 67 PRO C C 67 170.030 170.030 174.162 -4.132 19752 4629 1 7 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.748 -2.078 19752 4630 1 7 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.128 -5.218 19752 4631 1 7 . 1 1 68 68 PHE N N 68 111.778 111.778 118.737 -6.959 19752 4632 1 7 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.342 0.151 19752 4633 1 7 . 1 1 68 68 PHE C C 68 177.055 177.055 174.846 2.209 19752 4634 1 7 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.775 -1.147 19752 4635 1 7 . 1 1 68 68 PHE CB C 68 43.358 43.358 40.777 2.581 19752 4636 1 7 . 1 1 68 68 PHE H H 68 6.610 6.610 7.007 -0.397 19752 4637 1 7 . 1 1 69 69 LEU N N 69 119.491 119.491 121.691 -2.200 19752 4638 1 7 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.605 -0.292 19752 4639 1 7 . 1 1 69 69 LEU C C 69 176.326 176.326 177.727 -1.401 19752 4640 1 7 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.227 -0.996 19752 4641 1 7 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.380 -1.510 19752 4642 1 7 . 1 1 69 69 LEU H H 69 8.388 8.388 8.462 -0.074 19752 4643 1 7 . 1 1 70 70 ASN N N 70 112.229 112.229 116.717 -4.488 19752 4644 1 7 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.711 0.131 19752 4645 1 7 . 1 1 70 70 ASN C C 70 175.620 175.620 174.250 1.370 19752 4646 1 7 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.144 -0.476 19752 4647 1 7 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.422 -0.769 19752 4648 1 7 . 1 1 70 70 ASN H H 70 7.675 7.675 8.328 -0.653 19752 4649 1 7 . 1 1 71 71 ALA N N 71 123.955 123.955 123.203 0.752 19752 4650 1 7 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.497 0.062 19752 4651 1 7 . 1 1 71 71 ALA C C 71 174.274 174.274 175.650 -1.376 19752 4652 1 7 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.657 0.813 19752 4653 1 7 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.267 -0.424 19752 4654 1 7 . 1 1 71 71 ALA H H 71 7.152 7.152 7.273 -0.121 19752 4655 1 7 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.261 0.152 19752 4656 1 7 . 1 1 72 72 PRO C C 72 176.342 176.342 175.861 0.481 19752 4657 1 7 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.645 -0.526 19752 4658 1 7 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.874 0.282 19752 4659 1 7 . 1 1 73 73 VAL N N 73 121.078 121.078 123.395 -2.317 19752 4660 1 7 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.275 0.009 19752 4661 1 7 . 1 1 73 73 VAL C C 73 177.864 177.864 177.403 0.461 19752 4662 1 7 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.760 2.517 19752 4663 1 7 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.182 -1.458 19752 4664 1 7 . 1 1 73 73 VAL H H 73 8.328 8.328 8.090 0.238 19752 4665 1 7 . 1 1 74 74 GLY N N 74 114.118 114.118 110.976 3.142 19752 4666 1 7 . 1 1 74 74 GLY C C 74 173.963 173.963 173.675 0.288 19752 4667 1 7 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.882 -0.097 19752 4668 1 7 . 1 1 74 74 GLY H H 74 8.781 8.781 8.801 -0.020 19752 4669 1 7 . 1 1 75 75 GLY N N 75 107.324 107.324 109.945 -2.621 19752 4670 1 7 . 1 1 75 75 GLY C C 75 173.460 173.460 172.041 1.419 19752 4671 1 7 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.370 -0.622 19752 4672 1 7 . 1 1 75 75 GLY H H 75 7.278 7.278 7.913 -0.635 19752 4673 1 7 . 1 1 76 76 ASN N N 76 119.682 119.682 123.873 -4.191 19752 4674 1 7 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.095 0.327 19752 4675 1 7 . 1 1 76 76 ASN C C 76 175.760 175.760 173.975 1.785 19752 4676 1 7 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.719 -0.442 19752 4677 1 7 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.467 -2.254 19752 4678 1 7 . 1 1 76 76 ASN H H 76 8.797 8.797 8.684 0.113 19752 4679 1 7 . 1 1 77 77 LEU N N 77 129.545 129.545 127.325 2.220 19752 4680 1 7 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.929 -0.058 19752 4681 1 7 . 1 1 77 77 LEU C C 77 174.374 174.374 174.472 -0.098 19752 4682 1 7 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.114 1.100 19752 4683 1 7 . 1 1 77 77 LEU CB C 77 43.071 43.071 44.281 -1.210 19752 4684 1 7 . 1 1 77 77 LEU H H 77 10.083 10.083 8.998 1.085 19752 4685 1 7 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.492 -0.163 19752 4686 1 7 . 1 1 78 78 PRO C C 78 177.553 177.553 176.059 1.494 19752 4687 1 7 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.240 0.341 19752 4688 1 7 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.663 0.058 19752 4689 1 7 . 1 1 79 79 ALA N N 79 125.294 125.294 121.044 4.250 19752 4690 1 7 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.047 0.213 19752 4691 1 7 . 1 1 79 79 ALA C C 79 179.984 179.984 178.258 1.726 19752 4692 1 7 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.589 0.589 19752 4693 1 7 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.413 -1.167 19752 4694 1 7 . 1 1 79 79 ALA H H 79 8.585 8.585 8.061 0.524 19752 4695 1 7 . 1 1 80 80 GLY N N 80 110.970 110.970 109.365 1.605 19752 4696 1 7 . 1 1 80 80 GLY C C 80 173.499 173.499 174.242 -0.743 19752 4697 1 7 . 1 1 80 80 GLY CA C 80 45.954 45.954 45.627 0.327 19752 4698 1 7 . 1 1 80 80 GLY H H 80 8.004 8.004 8.318 -0.314 19752 4699 1 7 . 1 1 81 81 ALA N N 81 122.249 122.249 122.797 -0.548 19752 4700 1 7 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.266 -0.015 19752 4701 1 7 . 1 1 81 81 ALA C C 81 175.709 175.709 176.459 -0.750 19752 4702 1 7 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.392 0.373 19752 4703 1 7 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.620 1.233 19752 4704 1 7 . 1 1 81 81 ALA H H 81 7.363 7.363 7.227 0.136 19752 4705 1 7 . 1 1 82 82 THR N N 82 114.980 114.980 120.878 -5.898 19752 4706 1 7 . 1 1 82 82 THR HA H 82 5.171 5.171 4.911 0.260 19752 4707 1 7 . 1 1 82 82 THR C C 82 174.618 174.618 173.745 0.873 19752 4708 1 7 . 1 1 82 82 THR CA C 82 62.118 62.118 62.501 -0.383 19752 4709 1 7 . 1 1 82 82 THR CB C 82 70.555 70.555 68.796 1.759 19752 4710 1 7 . 1 1 82 82 THR H H 82 8.181 8.181 8.320 -0.139 19752 4711 1 7 . 1 1 83 83 ILE N N 83 127.480 127.480 129.565 -2.085 19752 4712 1 7 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.355 0.049 19752 4713 1 7 . 1 1 83 83 ILE C C 83 173.926 173.926 174.216 -0.290 19752 4714 1 7 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.761 -0.422 19752 4715 1 7 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.321 0.907 19752 4716 1 7 . 1 1 83 83 ILE H H 83 9.627 9.627 9.282 0.345 19752 4717 1 7 . 1 1 84 84 VAL N N 84 128.246 128.246 127.086 1.160 19752 4718 1 7 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.541 0.132 19752 4719 1 7 . 1 1 84 84 VAL C C 84 175.501 175.501 174.899 0.602 19752 4720 1 7 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.081 2.054 19752 4721 1 7 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.489 -1.833 19752 4722 1 7 . 1 1 84 84 VAL H H 84 8.059 8.059 8.370 -0.311 19752 4723 1 7 . 1 1 85 85 TYR N N 85 126.862 126.862 125.979 0.883 19752 4724 1 7 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.973 0.452 19752 4725 1 7 . 1 1 85 85 TYR C C 85 174.273 174.273 174.621 -0.348 19752 4726 1 7 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.715 0.096 19752 4727 1 7 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.877 1.399 19752 4728 1 7 . 1 1 85 85 TYR H H 85 8.840 8.840 8.296 0.544 19752 4729 1 7 . 1 1 86 86 ASP N N 86 115.086 115.086 118.793 -3.707 19752 4730 1 7 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.751 0.717 19752 4731 1 7 . 1 1 86 86 ASP C C 86 177.943 177.943 175.906 2.037 19752 4732 1 7 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.479 -0.276 19752 4733 1 7 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.805 0.770 19752 4734 1 7 . 1 1 86 86 ASP H H 86 8.843 8.843 8.550 0.293 19752 4735 1 7 . 1 1 87 87 GLU N N 87 124.208 124.208 119.937 4.271 19752 4736 1 7 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.223 -0.108 19752 4737 1 7 . 1 1 87 87 GLU C C 87 173.613 173.613 174.278 -0.665 19752 4738 1 7 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.544 0.228 19752 4739 1 7 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.489 2.018 19752 4740 1 7 . 1 1 87 87 GLU H H 87 8.121 8.121 7.847 0.274 19752 4741 1 7 . 1 1 88 88 VAL N N 88 121.754 121.754 125.293 -3.539 19752 4742 1 7 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.811 0.903 19752 4743 1 7 . 1 1 88 88 VAL C C 88 175.480 175.480 174.617 0.863 19752 4744 1 7 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.624 -0.854 19752 4745 1 7 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.454 1.190 19752 4746 1 7 . 1 1 88 88 VAL H H 88 8.822 8.822 8.959 -0.137 19752 4747 1 7 . 1 1 89 89 CYS N N 89 118.234 118.234 124.843 -6.609 19752 4748 1 7 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.049 0.250 19752 4749 1 7 . 1 1 89 89 CYS C C 89 174.126 174.126 173.514 0.612 19752 4750 1 7 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.588 0.497 19752 4751 1 7 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.603 1.501 19752 4752 1 7 . 1 1 89 89 CYS H H 89 9.404 9.404 9.681 -0.277 19752 4753 1 7 . 1 1 90 90 ILE N N 90 122.085 122.085 122.858 -0.773 19752 4754 1 7 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.591 0.642 19752 4755 1 7 . 1 1 90 90 ILE C C 90 176.210 176.210 174.618 1.592 19752 4756 1 7 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.890 0.669 19752 4757 1 7 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.228 2.261 19752 4758 1 7 . 1 1 90 90 ILE H H 90 9.773 9.773 9.388 0.385 19752 4759 1 7 . 1 1 91 91 GLN N N 91 125.884 125.884 128.610 -2.726 19752 4760 1 7 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.797 -0.178 19752 4761 1 7 . 1 1 91 91 GLN C C 91 176.019 176.019 174.721 1.298 19752 4762 1 7 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.246 1.976 19752 4763 1 7 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.414 -0.221 19752 4764 1 7 . 1 1 91 91 GLN H H 91 8.910 8.910 8.356 0.554 19752 4765 1 7 . 1 1 92 92 ALA N N 92 131.300 131.300 130.748 0.552 19752 4766 1 7 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.147 0.377 19752 4767 1 7 . 1 1 92 92 ALA C C 92 178.514 178.514 177.799 0.715 19752 4768 1 7 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.834 -0.368 19752 4769 1 7 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.625 -0.356 19752 4770 1 7 . 1 1 92 92 ALA H H 92 9.888 9.888 9.000 0.888 19752 4771 1 7 . 1 1 93 93 GLY N N 93 107.622 107.622 112.938 -5.316 19752 4772 1 7 . 1 1 93 93 GLY C C 93 174.796 174.796 173.681 1.115 19752 4773 1 7 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.925 1.544 19752 4774 1 7 . 1 1 93 93 GLY H H 93 9.675 9.675 8.658 1.017 19752 4775 1 7 . 1 1 94 94 HIS N N 94 118.233 118.233 118.987 -0.754 19752 4776 1 7 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.094 -0.268 19752 4777 1 7 . 1 1 94 94 HIS C C 94 173.575 173.575 172.820 0.755 19752 4778 1 7 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.955 0.265 19752 4779 1 7 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.192 -2.459 19752 4780 1 7 . 1 1 94 94 HIS H H 94 8.337 8.337 8.455 -0.118 19752 4781 1 7 . 1 1 95 95 ILE N N 95 118.964 118.964 120.422 -1.458 19752 4782 1 7 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.623 0.588 19752 4783 1 7 . 1 1 95 95 ILE C C 95 174.555 174.555 173.577 0.978 19752 4784 1 7 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.883 1.099 19752 4785 1 7 . 1 1 95 95 ILE CB C 95 38.783 38.783 41.033 -2.250 19752 4786 1 7 . 1 1 95 95 ILE H H 95 8.116 8.116 8.343 -0.227 19752 4787 1 7 . 1 1 96 96 TRP N N 96 127.092 127.092 128.283 -1.191 19752 4788 1 7 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.742 -0.265 19752 4789 1 7 . 1 1 96 96 TRP C C 96 176.216 176.216 176.614 -0.398 19752 4790 1 7 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.081 -0.838 19752 4791 1 7 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.418 -0.650 19752 4792 1 7 . 1 1 96 96 TRP H H 96 9.869 9.869 9.379 0.490 19752 4793 1 7 . 1 1 97 97 ILE N N 97 113.283 113.283 119.945 -6.662 19752 4794 1 7 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.071 0.401 19752 4795 1 7 . 1 1 97 97 ILE C C 97 175.278 175.278 175.072 0.206 19752 4796 1 7 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.274 -0.090 19752 4797 1 7 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.617 0.032 19752 4798 1 7 . 1 1 97 97 ILE H H 97 8.893 8.893 8.950 -0.057 19752 4799 1 7 . 1 1 98 98 GLY N N 98 109.684 109.684 113.130 -3.446 19752 4800 1 7 . 1 1 98 98 GLY C C 98 172.048 172.048 172.371 -0.323 19752 4801 1 7 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.820 1.300 19752 4802 1 7 . 1 1 98 98 GLY H H 98 9.043 9.043 9.005 0.038 19752 4803 1 7 . 1 1 99 99 TYR N N 99 117.809 117.809 122.100 -4.291 19752 4804 1 7 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.128 -0.220 19752 4805 1 7 . 1 1 99 99 TYR C C 99 172.626 172.626 173.339 -0.713 19752 4806 1 7 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.911 1.348 19752 4807 1 7 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.843 -0.696 19752 4808 1 7 . 1 1 99 99 TYR H H 99 8.434 8.434 8.507 -0.073 19752 4809 1 7 . 1 1 100 100 ASN N N 100 117.139 117.139 121.071 -3.932 19752 4810 1 7 . 1 1 100 100 ASN HA H 100 5.286 5.286 4.972 0.314 19752 4811 1 7 . 1 1 100 100 ASN C C 100 175.315 175.315 175.256 0.059 19752 4812 1 7 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.774 -0.788 19752 4813 1 7 . 1 1 100 100 ASN CB C 100 39.375 39.375 38.893 0.482 19752 4814 1 7 . 1 1 100 100 ASN H H 100 8.844 8.844 8.758 0.086 19752 4815 1 7 . 1 1 101 101 ALA N N 101 126.218 126.218 127.108 -0.890 19752 4816 1 7 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.659 -0.022 19752 4817 1 7 . 1 1 101 101 ALA C C 101 179.095 179.095 178.469 0.626 19752 4818 1 7 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.532 0.680 19752 4819 1 7 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.045 0.597 19752 4820 1 7 . 1 1 101 101 ALA H H 101 8.870 8.870 8.817 0.053 19752 4821 1 7 . 1 1 102 102 TYR N N 102 121.067 121.067 119.058 2.009 19752 4822 1 7 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.257 0.082 19752 4823 1 7 . 1 1 102 102 TYR C C 102 175.986 175.986 176.197 -0.211 19752 4824 1 7 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.446 -0.302 19752 4825 1 7 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.972 -0.319 19752 4826 1 7 . 1 1 102 102 TYR H H 102 8.720 8.720 8.414 0.306 19752 4827 1 7 . 1 1 103 103 ASN N N 103 115.289 115.289 117.739 -2.450 19752 4828 1 7 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.672 -0.260 19752 4829 1 7 . 1 1 103 103 ASN C C 103 175.963 175.963 176.122 -0.159 19752 4830 1 7 . 1 1 103 103 ASN CA C 103 52.246 52.246 53.091 -0.845 19752 4831 1 7 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.910 -1.665 19752 4832 1 7 . 1 1 103 103 ASN H H 103 7.490 7.490 7.401 0.089 19752 4833 1 7 . 1 1 104 104 GLY N N 104 107.204 107.204 106.170 1.034 19752 4834 1 7 . 1 1 104 104 GLY C C 104 174.620 174.620 173.542 1.078 19752 4835 1 7 . 1 1 104 104 GLY CA C 104 45.128 45.128 44.793 0.335 19752 4836 1 7 . 1 1 104 104 GLY H H 104 8.020 8.020 8.041 -0.021 19752 4837 1 7 . 1 1 105 105 ASN N N 105 118.581 118.581 118.385 0.196 19752 4838 1 7 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.613 -0.037 19752 4839 1 7 . 1 1 105 105 ASN C C 105 173.805 173.805 174.336 -0.531 19752 4840 1 7 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.859 0.171 19752 4841 1 7 . 1 1 105 105 ASN CB C 105 38.984 38.984 38.989 -0.005 19752 4842 1 7 . 1 1 105 105 ASN H H 105 7.703 7.703 7.934 -0.231 19752 4843 1 7 . 1 1 106 106 ARG N N 106 123.191 123.191 122.803 0.388 19752 4844 1 7 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.422 0.142 19752 4845 1 7 . 1 1 106 106 ARG C C 106 174.360 174.360 175.120 -0.760 19752 4846 1 7 . 1 1 106 106 ARG CA C 106 54.662 54.662 56.070 -1.408 19752 4847 1 7 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.218 0.389 19752 4848 1 7 . 1 1 106 106 ARG H H 106 8.635 8.635 8.505 0.130 19752 4849 1 7 . 1 1 107 107 VAL N N 107 128.482 128.482 126.534 1.948 19752 4850 1 7 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.461 0.092 19752 4851 1 7 . 1 1 107 107 VAL C C 107 172.290 172.290 174.045 -1.755 19752 4852 1 7 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.054 -0.370 19752 4853 1 7 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.282 1.195 19752 4854 1 7 . 1 1 107 107 VAL H H 107 8.668 8.668 8.473 0.195 19752 4855 1 7 . 1 1 108 108 TYR N N 108 119.055 119.055 125.039 -5.984 19752 4856 1 7 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.737 -0.244 19752 4857 1 7 . 1 1 108 108 TYR C C 108 175.215 175.215 175.397 -0.182 19752 4858 1 7 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.097 0.475 19752 4859 1 7 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.422 1.013 19752 4860 1 7 . 1 1 108 108 TYR H H 108 8.944 8.944 9.311 -0.367 19752 4861 1 7 . 1 1 109 109 CYS N N 109 124.377 124.377 122.155 2.222 19752 4862 1 7 . 1 1 109 109 CYS HA H 109 5.445 5.445 4.983 0.462 19752 4863 1 7 . 1 1 109 109 CYS C C 109 171.899 171.899 173.423 -1.524 19752 4864 1 7 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.498 -1.333 19752 4865 1 7 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.148 -1.345 19752 4866 1 7 . 1 1 109 109 CYS H H 109 9.675 9.675 8.894 0.781 19752 4867 1 7 . 1 1 110 110 PRO HA H 110 4.179 4.179 2.796 1.383 19752 4868 1 7 . 1 1 110 110 PRO C C 110 175.490 175.490 177.027 -1.537 19752 4869 1 7 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.619 -1.021 19752 4870 1 7 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.736 -1.280 19752 4871 1 7 . 1 1 111 111 VAL N N 111 109.293 109.293 111.978 -2.685 19752 4872 1 7 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.557 0.852 19752 4873 1 7 . 1 1 111 111 VAL C C 111 173.598 173.598 174.673 -1.075 19752 4874 1 7 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.213 -4.120 19752 4875 1 7 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.841 3.680 19752 4876 1 7 . 1 1 111 111 VAL H H 111 8.382 8.382 7.445 0.937 19752 4877 1 7 . 1 1 112 112 ARG N N 112 110.825 110.825 115.951 -5.126 19752 4878 1 7 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.717 -1.559 19752 4879 1 7 . 1 1 112 112 ARG C C 112 175.480 175.480 175.261 0.219 19752 4880 1 7 . 1 1 112 112 ARG CA C 112 54.449 54.449 54.074 0.376 19752 4881 1 7 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.519 -1.373 19752 4882 1 7 . 1 1 112 112 ARG H H 112 6.735 6.735 7.972 -1.237 19752 4883 1 7 . 1 1 113 113 THR N N 113 111.002 111.002 118.253 -7.251 19752 4884 1 7 . 1 1 113 113 THR HA H 113 4.238 4.238 4.273 -0.035 19752 4885 1 7 . 1 1 113 113 THR C C 113 174.123 174.123 173.843 0.280 19752 4886 1 7 . 1 1 113 113 THR CA C 113 62.468 62.468 64.527 -2.059 19752 4887 1 7 . 1 1 113 113 THR CB C 113 70.502 70.502 68.957 1.544 19752 4888 1 7 . 1 1 113 113 THR H H 113 8.898 8.898 7.881 1.017 19752 4889 1 7 . 1 1 114 114 CYS N N 114 119.522 119.522 125.614 -6.092 19752 4890 1 7 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.445 -0.930 19752 4891 1 7 . 1 1 114 114 CYS C C 114 172.669 172.669 172.531 0.138 19752 4892 1 7 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.315 2.302 19752 4893 1 7 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.975 -1.430 19752 4894 1 7 . 1 1 114 114 CYS H H 114 7.936 7.936 8.154 -0.218 19752 4895 1 7 . 1 1 115 115 GLN N N 115 129.342 129.342 123.018 6.324 19752 4896 1 7 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.803 -0.175 19752 4897 1 7 . 1 1 115 115 GLN C C 115 175.456 175.456 175.174 0.282 19752 4898 1 7 . 1 1 115 115 GLN CA C 115 54.242 54.242 53.723 0.519 19752 4899 1 7 . 1 1 115 115 GLN CB C 115 31.176 31.176 32.779 -1.603 19752 4900 1 7 . 1 1 115 115 GLN H H 115 7.963 7.963 8.918 -0.955 19752 4901 1 7 . 1 1 116 116 GLY N N 116 112.311 112.311 107.616 4.695 19752 4902 1 7 . 1 1 116 116 GLY C C 116 171.907 171.907 172.144 -0.237 19752 4903 1 7 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.011 -0.794 19752 4904 1 7 . 1 1 116 116 GLY H H 116 8.591 8.591 8.198 0.393 19752 4905 1 7 . 1 1 117 117 VAL N N 117 110.113 110.113 114.917 -4.804 19752 4906 1 7 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.525 -0.387 19752 4907 1 7 . 1 1 117 117 VAL C C 117 171.857 171.857 173.272 -1.415 19752 4908 1 7 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.094 -0.137 19752 4909 1 7 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.999 -1.450 19752 4910 1 7 . 1 1 117 117 VAL H H 117 7.745 7.745 7.631 0.114 19752 4911 1 7 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.811 0.685 19752 4912 1 7 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.538 -1.048 19752 4913 1 7 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.680 -0.920 19752 4914 1 7 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.864 0.512 19752 4915 1 7 . 1 1 119 119 PRO C C 119 176.006 176.006 175.980 0.026 19752 4916 1 7 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.573 1.583 19752 4917 1 7 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.460 1.575 19752 4918 1 7 . 1 1 120 120 ASN N N 120 124.472 124.472 120.405 4.067 19752 4919 1 7 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.457 0.447 19752 4920 1 7 . 1 1 120 120 ASN C C 120 172.963 172.963 173.766 -0.803 19752 4921 1 7 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.523 0.592 19752 4922 1 7 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.481 0.746 19752 4923 1 7 . 1 1 120 120 ASN H H 120 8.414 8.414 7.929 0.485 19752 4924 1 7 . 1 1 121 121 HIS N N 121 120.276 120.276 121.763 -1.487 19752 4925 1 7 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.937 -0.510 19752 4926 1 7 . 1 1 121 121 HIS C C 121 174.788 174.788 174.492 0.296 19752 4927 1 7 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.602 2.098 19752 4928 1 7 . 1 1 121 121 HIS CB C 121 30.708 30.708 29.566 1.142 19752 4929 1 7 . 1 1 121 121 HIS H H 121 8.591 8.591 7.710 0.881 19752 4930 1 7 . 1 1 122 122 ILE N N 122 120.474 120.474 126.284 -5.810 19752 4931 1 7 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.542 -0.197 19752 4932 1 7 . 1 1 122 122 ILE C C 122 174.718 174.718 173.981 0.737 19752 4933 1 7 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.625 -0.495 19752 4934 1 7 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.378 1.392 19752 4935 1 7 . 1 1 122 122 ILE H H 122 8.883 8.883 9.149 -0.266 19752 4936 1 7 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.096 -0.600 19752 4937 1 7 . 1 1 123 123 PRO C C 123 177.104 177.104 176.249 0.855 19752 4938 1 7 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.986 0.621 19752 4939 1 7 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.604 -0.075 19752 4940 1 7 . 1 1 124 124 GLY N N 124 111.030 111.030 110.626 0.404 19752 4941 1 7 . 1 1 124 124 GLY C C 124 173.906 173.906 173.795 0.111 19752 4942 1 7 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.744 -1.627 19752 4943 1 7 . 1 1 124 124 GLY H H 124 8.553 8.553 8.682 -0.129 19752 4944 1 7 . 1 1 125 125 VAL N N 125 121.916 121.916 122.981 -1.065 19752 4945 1 7 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.859 0.061 19752 4946 1 7 . 1 1 125 125 VAL C C 125 176.148 176.148 174.652 1.496 19752 4947 1 7 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.857 1.781 19752 4948 1 7 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.116 1.002 19752 4949 1 7 . 1 1 125 125 VAL H H 125 8.493 8.493 8.054 0.439 19752 4950 1 7 . 1 1 126 126 ALA N N 126 127.872 127.872 130.320 -2.448 19752 4951 1 7 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.280 0.210 19752 4952 1 7 . 1 1 126 126 ALA C C 126 179.447 179.447 176.826 2.621 19752 4953 1 7 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.301 1.368 19752 4954 1 7 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.066 0.562 19752 4955 1 7 . 1 1 126 126 ALA H H 126 8.835 8.835 8.379 0.456 19752 4956 1 7 . 1 1 127 127 TRP N N 127 121.928 121.928 125.109 -3.181 19752 4957 1 7 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.871 0.242 19752 4958 1 7 . 1 1 127 127 TRP C C 127 174.684 174.684 175.326 -0.642 19752 4959 1 7 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.714 -1.085 19752 4960 1 7 . 1 1 127 127 TRP CB C 127 28.154 28.154 29.710 -1.556 19752 4961 1 7 . 1 1 127 127 TRP H H 127 8.555 8.555 8.555 -0.000 19752 4962 1 7 . 1 1 128 128 GLY N N 128 103.981 103.981 104.830 -0.849 19752 4963 1 7 . 1 1 128 128 GLY C C 128 171.694 171.694 172.456 -0.762 19752 4964 1 7 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.806 0.883 19752 4965 1 7 . 1 1 128 128 GLY H H 128 7.280 7.280 7.531 -0.251 19752 4966 1 7 . 1 1 129 129 VAL N N 129 119.078 119.078 120.176 -1.098 19752 4967 1 7 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.469 -0.126 19752 4968 1 7 . 1 1 129 129 VAL C C 129 173.255 173.255 174.907 -1.652 19752 4969 1 7 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.957 -0.296 19752 4970 1 7 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.554 0.997 19752 4971 1 7 . 1 1 129 129 VAL H H 129 8.274 8.274 8.583 -0.309 19752 4972 1 7 . 1 1 130 130 PHE N N 130 122.633 122.633 125.887 -3.254 19752 4973 1 7 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.312 0.232 19752 4974 1 7 . 1 1 130 130 PHE C C 130 175.771 175.771 175.898 -0.127 19752 4975 1 7 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.668 -0.492 19752 4976 1 7 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.738 -0.068 19752 4977 1 7 . 1 1 130 130 PHE H H 130 8.464 8.464 8.849 -0.385 19752 4978 1 8 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.898 -0.132 19752 4979 1 8 . 1 1 2 2 ASN C C 2 174.930 174.930 175.166 -0.236 19752 4980 1 8 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.236 -0.027 19752 4981 1 8 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.771 0.442 19752 4982 1 8 . 1 1 3 3 ALA N N 3 124.643 124.643 123.394 1.249 19752 4983 1 8 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.157 0.107 19752 4984 1 8 . 1 1 3 3 ALA C C 3 177.790 177.790 179.004 -1.214 19752 4985 1 8 . 1 1 3 3 ALA CA C 3 52.837 52.837 54.578 -1.740 19752 4986 1 8 . 1 1 3 3 ALA CB C 3 19.240 19.240 18.855 0.386 19752 4987 1 8 . 1 1 3 3 ALA H H 3 8.386 8.386 8.147 0.239 19752 4988 1 8 . 1 1 4 4 LYS N N 4 120.203 120.203 117.156 3.047 19752 4989 1 8 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.374 -0.151 19752 4990 1 8 . 1 1 4 4 LYS C C 4 176.230 176.230 176.601 -0.371 19752 4991 1 8 . 1 1 4 4 LYS CA C 4 56.534 56.534 57.118 -0.584 19752 4992 1 8 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.602 0.209 19752 4993 1 8 . 1 1 4 4 LYS H H 4 8.300 8.300 8.431 -0.131 19752 4994 1 8 . 1 1 5 5 ASN N N 5 119.229 119.229 115.994 3.235 19752 4995 1 8 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.398 0.270 19752 4996 1 8 . 1 1 5 5 ASN C C 5 175.033 175.033 173.893 1.140 19752 4997 1 8 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.474 -0.349 19752 4998 1 8 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.085 0.692 19752 4999 1 8 . 1 1 5 5 ASN H H 5 8.320 8.320 8.014 0.306 19752 5000 1 8 . 1 1 6 6 TYR N N 6 120.593 120.593 125.158 -4.565 19752 5001 1 8 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.614 -0.104 19752 5002 1 8 . 1 1 6 6 TYR C C 6 175.554 175.554 174.681 0.873 19752 5003 1 8 . 1 1 6 6 TYR CA C 6 58.213 58.213 58.075 0.138 19752 5004 1 8 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.182 -0.581 19752 5005 1 8 . 1 1 6 6 TYR H H 6 8.087 8.087 8.538 -0.451 19752 5006 1 8 . 1 1 7 7 MET N N 7 121.477 121.477 122.935 -1.458 19752 5007 1 8 . 1 1 7 7 MET HA H 7 4.391 4.391 4.618 -0.227 19752 5008 1 8 . 1 1 7 7 MET C C 7 175.609 175.609 174.457 1.152 19752 5009 1 8 . 1 1 7 7 MET CA C 7 55.494 55.494 54.501 0.993 19752 5010 1 8 . 1 1 7 7 MET CB C 7 32.970 32.970 35.032 -2.062 19752 5011 1 8 . 1 1 7 7 MET H H 7 8.121 8.121 7.927 0.194 19752 5012 1 8 . 1 1 8 8 ASP N N 8 121.704 121.704 121.498 0.206 19752 5013 1 8 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.750 -0.195 19752 5014 1 8 . 1 1 8 8 ASP C C 8 176.344 176.344 174.989 1.355 19752 5015 1 8 . 1 1 8 8 ASP CA C 8 54.471 54.471 53.431 1.040 19752 5016 1 8 . 1 1 8 8 ASP CB C 8 41.322 41.322 40.949 0.373 19752 5017 1 8 . 1 1 8 8 ASP H H 8 8.189 8.189 8.386 -0.197 19752 5018 1 8 . 1 1 9 9 LYS N N 9 122.168 122.168 122.057 0.111 19752 5019 1 8 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.073 0.234 19752 5020 1 8 . 1 1 9 9 LYS C C 9 177.267 177.267 177.743 -0.476 19752 5021 1 8 . 1 1 9 9 LYS CA C 9 56.622 56.622 57.147 -0.525 19752 5022 1 8 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.022 0.743 19752 5023 1 8 . 1 1 9 9 LYS H H 9 8.335 8.335 7.717 0.618 19752 5024 1 8 . 1 1 10 10 GLY N N 10 109.505 109.505 115.084 -5.579 19752 5025 1 8 . 1 1 10 10 GLY C C 10 174.568 174.568 175.251 -0.683 19752 5026 1 8 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.685 -0.102 19752 5027 1 8 . 1 1 10 10 GLY H H 10 8.497 8.497 8.362 0.135 19752 5028 1 8 . 1 1 11 11 THR N N 11 113.312 113.312 114.830 -1.518 19752 5029 1 8 . 1 1 11 11 THR HA H 11 4.396 4.396 4.560 -0.164 19752 5030 1 8 . 1 1 11 11 THR C C 11 174.719 174.719 173.683 1.036 19752 5031 1 8 . 1 1 11 11 THR CA C 11 61.779 61.779 61.226 0.553 19752 5032 1 8 . 1 1 11 11 THR CB C 11 69.963 69.963 69.575 0.388 19752 5033 1 8 . 1 1 11 11 THR H H 11 8.081 8.081 7.889 0.192 19752 5034 1 8 . 1 1 12 12 SER N N 12 118.272 118.272 119.474 -1.202 19752 5035 1 8 . 1 1 12 12 SER HA H 12 4.499 4.499 4.502 -0.003 19752 5036 1 8 . 1 1 12 12 SER C C 12 174.766 174.766 174.136 0.630 19752 5037 1 8 . 1 1 12 12 SER CA C 12 58.432 58.432 58.834 -0.403 19752 5038 1 8 . 1 1 12 12 SER CB C 12 63.986 63.986 62.129 1.857 19752 5039 1 8 . 1 1 12 12 SER H H 12 8.413 8.413 8.078 0.335 19752 5040 1 8 . 1 1 13 13 SER N N 13 118.106 118.106 121.382 -3.276 19752 5041 1 8 . 1 1 13 13 SER HA H 13 4.518 4.518 4.839 -0.321 19752 5042 1 8 . 1 1 13 13 SER C C 13 174.674 174.674 174.683 -0.009 19752 5043 1 8 . 1 1 13 13 SER CA C 13 58.607 58.607 58.273 0.334 19752 5044 1 8 . 1 1 13 13 SER CB C 13 63.869 63.869 63.959 -0.090 19752 5045 1 8 . 1 1 13 13 SER H H 13 8.414 8.414 8.152 0.262 19752 5046 1 8 . 1 1 14 14 SER N N 14 117.724 117.724 117.808 -0.084 19752 5047 1 8 . 1 1 14 14 SER HA H 14 4.535 4.535 4.419 0.116 19752 5048 1 8 . 1 1 14 14 SER C C 14 174.743 174.743 174.885 -0.142 19752 5049 1 8 . 1 1 14 14 SER CA C 14 58.630 58.630 59.747 -1.117 19752 5050 1 8 . 1 1 14 14 SER CB C 14 63.798 63.798 63.275 0.523 19752 5051 1 8 . 1 1 14 14 SER H H 14 8.379 8.379 8.299 0.080 19752 5052 1 8 . 1 1 15 15 THR N N 15 116.549 116.549 117.304 -0.755 19752 5053 1 8 . 1 1 15 15 THR HA H 15 4.336 4.336 4.494 -0.158 19752 5054 1 8 . 1 1 15 15 THR C C 15 174.310 174.310 173.292 1.018 19752 5055 1 8 . 1 1 15 15 THR CA C 15 62.161 62.161 61.588 0.573 19752 5056 1 8 . 1 1 15 15 THR CB C 15 69.603 69.603 70.213 -0.611 19752 5057 1 8 . 1 1 15 15 THR H H 15 8.195 8.195 7.783 0.412 19752 5058 1 8 . 1 1 16 16 VAL N N 16 123.406 123.406 121.778 1.628 19752 5059 1 8 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.339 -0.237 19752 5060 1 8 . 1 1 16 16 VAL C C 16 175.934 175.934 175.157 0.777 19752 5061 1 8 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.212 0.300 19752 5062 1 8 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.485 0.253 19752 5063 1 8 . 1 1 16 16 VAL H H 16 8.121 8.121 8.360 -0.239 19752 5064 1 8 . 1 1 17 17 VAL N N 17 125.445 125.445 124.947 0.498 19752 5065 1 8 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.064 0.021 19752 5066 1 8 . 1 1 17 17 VAL C C 17 176.102 176.102 176.939 -0.837 19752 5067 1 8 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.418 -0.139 19752 5068 1 8 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.710 -0.033 19752 5069 1 8 . 1 1 17 17 VAL H H 17 8.293 8.293 8.504 -0.211 19752 5070 1 8 . 1 1 18 18 LYS N N 18 126.281 126.281 118.429 7.852 19752 5071 1 8 . 1 1 18 18 LYS HA H 18 4.342 4.342 3.916 0.426 19752 5072 1 8 . 1 1 18 18 LYS C C 18 176.138 176.138 176.047 0.091 19752 5073 1 8 . 1 1 18 18 LYS CA C 18 56.205 56.205 58.381 -2.176 19752 5074 1 8 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.510 1.636 19752 5075 1 8 . 1 1 18 18 LYS H H 18 8.478 8.478 8.296 0.182 19752 5076 1 8 . 1 1 19 19 ASP N N 19 121.904 121.904 119.245 2.659 19752 5077 1 8 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.698 -0.134 19752 5078 1 8 . 1 1 19 19 ASP C C 19 176.698 176.698 175.692 1.006 19752 5079 1 8 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.186 0.199 19752 5080 1 8 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.975 -0.752 19752 5081 1 8 . 1 1 19 19 ASP H H 19 8.379 8.379 7.975 0.404 19752 5082 1 8 . 1 1 20 20 GLY N N 20 109.177 109.177 109.429 -0.252 19752 5083 1 8 . 1 1 20 20 GLY C C 20 174.374 174.374 174.349 0.025 19752 5084 1 8 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.494 0.144 19752 5085 1 8 . 1 1 20 20 GLY H H 20 8.390 8.390 8.554 -0.164 19752 5086 1 8 . 1 1 21 21 LYS N N 21 120.814 120.814 119.176 1.638 19752 5087 1 8 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.145 0.244 19752 5088 1 8 . 1 1 21 21 LYS C C 21 177.041 177.041 176.691 0.350 19752 5089 1 8 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.245 0.331 19752 5090 1 8 . 1 1 21 21 LYS CB C 21 33.090 33.090 29.979 3.111 19752 5091 1 8 . 1 1 21 21 LYS H H 21 8.229 8.229 7.932 0.297 19752 5092 1 8 . 1 1 22 22 THR N N 22 115.105 115.105 111.283 3.822 19752 5093 1 8 . 1 1 22 22 THR HA H 22 4.393 4.393 4.142 0.251 19752 5094 1 8 . 1 1 22 22 THR C C 22 174.607 174.607 175.821 -1.214 19752 5095 1 8 . 1 1 22 22 THR CA C 22 61.880 61.880 64.399 -2.519 19752 5096 1 8 . 1 1 22 22 THR CB C 22 69.736 69.736 69.125 0.611 19752 5097 1 8 . 1 1 22 22 THR H H 22 8.237 8.237 8.258 -0.020 19752 5098 1 8 . 1 1 24 24 SER HA H 24 4.486 4.486 4.620 -0.134 19752 5099 1 8 . 1 1 24 24 SER C C 24 174.299 174.299 174.453 -0.154 19752 5100 1 8 . 1 1 24 24 SER CA C 24 58.547 58.547 57.618 0.929 19752 5101 1 8 . 1 1 24 24 SER CB C 24 63.787 63.787 64.535 -0.748 19752 5102 1 8 . 1 1 25 25 ALA N N 25 125.891 125.891 128.453 -2.562 19752 5103 1 8 . 1 1 25 25 ALA HA H 25 4.376 4.376 3.995 0.381 19752 5104 1 8 . 1 1 25 25 ALA C C 25 177.660 177.660 177.227 0.433 19752 5105 1 8 . 1 1 25 25 ALA CA C 25 52.629 52.629 53.645 -1.016 19752 5106 1 8 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.000 1.290 19752 5107 1 8 . 1 1 25 25 ALA H H 25 8.328 8.328 8.797 -0.469 19752 5108 1 8 . 1 1 26 26 SER N N 26 115.155 115.155 110.855 4.300 19752 5109 1 8 . 1 1 26 26 SER HA H 26 4.486 4.486 4.632 -0.146 19752 5110 1 8 . 1 1 26 26 SER C C 26 174.291 174.291 171.919 2.372 19752 5111 1 8 . 1 1 26 26 SER CA C 26 58.237 58.237 58.133 0.104 19752 5112 1 8 . 1 1 26 26 SER CB C 26 63.917 63.917 64.718 -0.801 19752 5113 1 8 . 1 1 26 26 SER H H 26 8.267 8.267 7.891 0.376 19752 5114 1 8 . 1 1 27 27 THR N N 27 118.324 118.324 117.031 1.293 19752 5115 1 8 . 1 1 27 27 THR HA H 27 4.627 4.627 5.052 -0.425 19752 5116 1 8 . 1 1 27 27 THR C C 27 172.782 172.782 172.406 0.376 19752 5117 1 8 . 1 1 27 27 THR CA C 27 59.748 59.748 59.612 0.136 19752 5118 1 8 . 1 1 27 27 THR CB C 27 69.702 69.702 69.492 0.210 19752 5119 1 8 . 1 1 27 27 THR H H 27 8.164 8.164 8.070 0.094 19752 5120 1 8 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.474 -0.071 19752 5121 1 8 . 1 1 28 28 PRO C C 28 176.630 176.630 175.570 1.060 19752 5122 1 8 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.192 0.058 19752 5123 1 8 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.783 1.382 19752 5124 1 8 . 1 1 29 29 ALA N N 29 124.263 124.263 126.519 -2.256 19752 5125 1 8 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.475 -0.126 19752 5126 1 8 . 1 1 29 29 ALA C C 29 177.974 177.974 177.600 0.374 19752 5127 1 8 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.578 -0.923 19752 5128 1 8 . 1 1 29 29 ALA CB C 29 19.277 19.277 20.525 -1.248 19752 5129 1 8 . 1 1 29 29 ALA H H 29 8.432 8.432 8.112 0.320 19752 5130 1 8 . 1 1 30 30 THR N N 30 113.368 113.368 114.615 -1.247 19752 5131 1 8 . 1 1 30 30 THR HA H 30 4.281 4.281 4.202 0.079 19752 5132 1 8 . 1 1 30 30 THR C C 30 174.257 174.257 176.268 -2.011 19752 5133 1 8 . 1 1 30 30 THR CA C 30 61.656 61.656 64.901 -3.245 19752 5134 1 8 . 1 1 30 30 THR CB C 30 69.801 69.801 69.134 0.667 19752 5135 1 8 . 1 1 30 30 THR H H 30 8.106 8.106 8.254 -0.148 19752 5136 1 8 . 1 1 31 31 ARG N N 31 124.700 124.700 120.856 3.844 19752 5137 1 8 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.403 0.247 19752 5138 1 8 . 1 1 31 31 ARG C C 31 174.094 174.094 175.118 -1.024 19752 5139 1 8 . 1 1 31 31 ARG CA C 31 54.051 54.051 57.129 -3.078 19752 5140 1 8 . 1 1 31 31 ARG CB C 31 30.374 30.374 28.245 2.129 19752 5141 1 8 . 1 1 31 31 ARG H H 31 8.318 8.318 8.462 -0.144 19752 5142 1 8 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.537 -0.038 19752 5143 1 8 . 1 1 32 32 PRO C C 32 177.065 177.065 175.136 1.929 19752 5144 1 8 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.274 0.786 19752 5145 1 8 . 1 1 32 32 PRO CB C 32 32.157 32.157 30.297 1.860 19752 5146 1 8 . 1 1 33 33 VAL N N 33 120.890 120.890 122.652 -1.762 19752 5147 1 8 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.438 -0.230 19752 5148 1 8 . 1 1 33 33 VAL C C 33 176.668 176.668 175.566 1.102 19752 5149 1 8 . 1 1 33 33 VAL CA C 33 62.608 62.608 59.447 3.161 19752 5150 1 8 . 1 1 33 33 VAL CB C 33 32.747 32.747 34.467 -1.720 19752 5151 1 8 . 1 1 33 33 VAL H H 33 8.447 8.447 7.636 0.811 19752 5152 1 8 . 1 1 34 34 THR N N 34 116.709 116.709 123.985 -7.276 19752 5153 1 8 . 1 1 34 34 THR HA H 34 4.377 4.377 4.185 0.192 19752 5154 1 8 . 1 1 34 34 THR C C 34 174.791 174.791 174.051 0.740 19752 5155 1 8 . 1 1 34 34 THR CA C 34 61.700 61.700 63.666 -1.966 19752 5156 1 8 . 1 1 34 34 THR CB C 34 69.697 69.697 67.782 1.915 19752 5157 1 8 . 1 1 34 34 THR H H 34 8.221 8.221 8.560 -0.339 19752 5158 1 8 . 1 1 35 35 GLY N N 35 111.182 111.182 114.708 -3.526 19752 5159 1 8 . 1 1 35 35 GLY C C 35 173.940 173.940 175.298 -1.358 19752 5160 1 8 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.998 -0.342 19752 5161 1 8 . 1 1 35 35 GLY H H 35 8.376 8.376 8.283 0.093 19752 5162 1 8 . 1 1 36 36 SER N N 36 116.779 116.779 116.638 0.141 19752 5163 1 8 . 1 1 36 36 SER HA H 36 4.456 4.456 4.338 0.118 19752 5164 1 8 . 1 1 36 36 SER C C 36 173.880 173.880 175.190 -1.310 19752 5165 1 8 . 1 1 36 36 SER CA C 36 58.255 58.255 61.323 -3.068 19752 5166 1 8 . 1 1 36 36 SER CB C 36 64.195 64.195 63.914 0.281 19752 5167 1 8 . 1 1 36 36 SER H H 36 8.456 8.456 7.816 0.640 19752 5168 1 8 . 1 1 37 37 TRP N N 37 121.744 121.744 120.935 0.809 19752 5169 1 8 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.879 -0.351 19752 5170 1 8 . 1 1 37 37 TRP C C 37 176.500 176.500 175.285 1.215 19752 5171 1 8 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.031 1.059 19752 5172 1 8 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.402 0.605 19752 5173 1 8 . 1 1 37 37 TRP H H 37 8.171 8.171 7.980 0.191 19752 5174 1 8 . 1 1 38 38 LYS N N 38 123.158 123.158 120.331 2.827 19752 5175 1 8 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.635 -0.009 19752 5176 1 8 . 1 1 38 38 LYS C C 38 172.839 172.839 174.743 -1.904 19752 5177 1 8 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.464 0.692 19752 5178 1 8 . 1 1 38 38 LYS CB C 38 36.656 36.656 34.780 1.876 19752 5179 1 8 . 1 1 38 38 LYS H H 38 8.736 8.736 8.931 -0.195 19752 5180 1 8 . 1 1 39 39 LYS N N 39 121.526 121.526 123.033 -1.507 19752 5181 1 8 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.518 0.222 19752 5182 1 8 . 1 1 39 39 LYS C C 39 177.510 177.510 175.542 1.968 19752 5183 1 8 . 1 1 39 39 LYS CA C 39 54.316 54.316 54.132 0.185 19752 5184 1 8 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.781 -0.424 19752 5185 1 8 . 1 1 39 39 LYS H H 39 8.123 8.123 8.107 0.016 19752 5186 1 8 . 1 1 40 40 ASN N N 40 123.988 123.988 124.692 -0.704 19752 5187 1 8 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.994 0.062 19752 5188 1 8 . 1 1 40 40 ASN C C 40 177.524 177.524 175.796 1.728 19752 5189 1 8 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.233 -1.393 19752 5190 1 8 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.025 -1.869 19752 5191 1 8 . 1 1 40 40 ASN H H 40 8.583 8.583 9.030 -0.447 19752 5192 1 8 . 1 1 41 41 GLN N N 41 116.529 116.529 118.873 -2.344 19752 5193 1 8 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.008 0.052 19752 5194 1 8 . 1 1 41 41 GLN C C 41 175.829 175.829 176.362 -0.533 19752 5195 1 8 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.897 -0.136 19752 5196 1 8 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.509 -0.562 19752 5197 1 8 . 1 1 41 41 GLN H H 41 8.856 8.856 8.661 0.195 19752 5198 1 8 . 1 1 42 42 TYR N N 42 119.255 119.255 116.644 2.611 19752 5199 1 8 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.438 0.213 19752 5200 1 8 . 1 1 42 42 TYR C C 42 175.782 175.782 176.459 -0.677 19752 5201 1 8 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.765 -0.645 19752 5202 1 8 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.990 0.128 19752 5203 1 8 . 1 1 42 42 TYR H H 42 7.604 7.604 7.251 0.353 19752 5204 1 8 . 1 1 43 43 GLY N N 43 106.354 106.354 108.077 -1.723 19752 5205 1 8 . 1 1 43 43 GLY C C 43 173.297 173.297 174.346 -1.049 19752 5206 1 8 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.300 -0.137 19752 5207 1 8 . 1 1 43 43 GLY H H 43 7.993 7.993 7.757 0.236 19752 5208 1 8 . 1 1 44 44 THR N N 44 120.062 120.062 116.770 3.292 19752 5209 1 8 . 1 1 44 44 THR HA H 44 4.176 4.176 4.820 -0.644 19752 5210 1 8 . 1 1 44 44 THR C C 44 173.969 173.969 173.689 0.280 19752 5211 1 8 . 1 1 44 44 THR CA C 44 62.132 62.132 62.284 -0.152 19752 5212 1 8 . 1 1 44 44 THR CB C 44 68.989 68.989 69.702 -0.713 19752 5213 1 8 . 1 1 44 44 THR H H 44 7.781 7.781 7.267 0.514 19752 5214 1 8 . 1 1 45 45 TRP N N 45 129.666 129.666 128.996 0.670 19752 5215 1 8 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.401 0.275 19752 5216 1 8 . 1 1 45 45 TRP C C 45 175.999 175.999 176.287 -0.288 19752 5217 1 8 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.475 0.131 19752 5218 1 8 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.544 0.097 19752 5219 1 8 . 1 1 45 45 TRP H H 45 8.041 8.041 8.850 -0.809 19752 5220 1 8 . 1 1 46 46 TYR N N 46 122.938 122.938 118.888 4.050 19752 5221 1 8 . 1 1 46 46 TYR HA H 46 6.338 6.338 5.964 0.374 19752 5222 1 8 . 1 1 46 46 TYR C C 46 173.663 173.663 173.723 -0.060 19752 5223 1 8 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.294 1.013 19752 5224 1 8 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.129 1.996 19752 5225 1 8 . 1 1 46 46 TYR H H 46 10.329 10.329 9.431 0.898 19752 5226 1 8 . 1 1 47 47 LYS N N 47 118.986 118.986 118.633 0.353 19752 5227 1 8 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.803 -0.032 19752 5228 1 8 . 1 1 47 47 LYS C C 47 172.462 172.462 174.108 -1.646 19752 5229 1 8 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.499 1.213 19752 5230 1 8 . 1 1 47 47 LYS CB C 47 34.118 34.118 33.763 0.355 19752 5231 1 8 . 1 1 47 47 LYS H H 47 8.923 8.923 9.096 -0.173 19752 5232 1 8 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.862 -0.060 19752 5233 1 8 . 1 1 48 48 PRO C C 48 176.747 176.747 176.133 0.614 19752 5234 1 8 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.830 -0.165 19752 5235 1 8 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.661 0.378 19752 5236 1 8 . 1 1 49 49 GLU N N 49 125.285 125.285 124.923 0.362 19752 5237 1 8 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.405 -0.417 19752 5238 1 8 . 1 1 49 49 GLU C C 49 170.927 170.927 174.182 -3.255 19752 5239 1 8 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.987 1.883 19752 5240 1 8 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.800 0.430 19752 5241 1 8 . 1 1 49 49 GLU H H 49 7.771 7.771 8.258 -0.487 19752 5242 1 8 . 1 1 50 50 ASN N N 50 122.328 122.328 123.129 -0.801 19752 5243 1 8 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.599 -0.201 19752 5244 1 8 . 1 1 50 50 ASN C C 50 173.648 173.648 173.566 0.082 19752 5245 1 8 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.565 -0.879 19752 5246 1 8 . 1 1 50 50 ASN CB C 50 39.646 39.646 40.224 -0.578 19752 5247 1 8 . 1 1 50 50 ASN H H 50 8.148 8.148 8.438 -0.290 19752 5248 1 8 . 1 1 51 51 ALA N N 51 126.527 126.527 128.284 -1.757 19752 5249 1 8 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.468 -0.015 19752 5250 1 8 . 1 1 51 51 ALA C C 51 172.872 172.872 174.520 -1.648 19752 5251 1 8 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.416 0.180 19752 5252 1 8 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.276 -2.606 19752 5253 1 8 . 1 1 51 51 ALA H H 51 7.085 7.085 7.745 -0.660 19752 5254 1 8 . 1 1 52 52 THR N N 52 112.831 112.831 111.790 1.041 19752 5255 1 8 . 1 1 52 52 THR HA H 52 5.167 5.167 5.222 -0.055 19752 5256 1 8 . 1 1 52 52 THR C C 52 172.852 172.852 173.446 -0.594 19752 5257 1 8 . 1 1 52 52 THR CA C 52 62.232 62.232 60.063 2.169 19752 5258 1 8 . 1 1 52 52 THR CB C 52 71.068 71.068 70.803 0.265 19752 5259 1 8 . 1 1 52 52 THR H H 52 8.036 8.036 8.752 -0.716 19752 5260 1 8 . 1 1 53 53 PHE N N 53 127.883 127.883 124.572 3.311 19752 5261 1 8 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.286 0.037 19752 5262 1 8 . 1 1 53 53 PHE C C 53 172.928 172.928 173.198 -0.270 19752 5263 1 8 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.894 -0.619 19752 5264 1 8 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.860 0.345 19752 5265 1 8 . 1 1 53 53 PHE H H 53 9.714 9.714 9.473 0.241 19752 5266 1 8 . 1 1 54 54 VAL N N 54 127.284 127.284 128.162 -0.878 19752 5267 1 8 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.237 0.083 19752 5268 1 8 . 1 1 54 54 VAL C C 54 175.842 175.842 174.251 1.591 19752 5269 1 8 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.306 -0.154 19752 5270 1 8 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.176 0.562 19752 5271 1 8 . 1 1 54 54 VAL H H 54 8.583 8.583 8.812 -0.229 19752 5272 1 8 . 1 1 55 55 ASN N N 55 125.723 125.723 126.095 -0.372 19752 5273 1 8 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.382 -0.222 19752 5274 1 8 . 1 1 55 55 ASN C C 55 176.333 176.333 174.816 1.517 19752 5275 1 8 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.675 0.914 19752 5276 1 8 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.509 -0.864 19752 5277 1 8 . 1 1 55 55 ASN H H 55 8.970 8.970 8.679 0.291 19752 5278 1 8 . 1 1 56 56 GLY N N 56 114.389 114.389 113.336 1.053 19752 5279 1 8 . 1 1 56 56 GLY C C 56 173.882 173.882 174.018 -0.136 19752 5280 1 8 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.701 -1.025 19752 5281 1 8 . 1 1 56 56 GLY H H 56 8.360 8.360 8.168 0.192 19752 5282 1 8 . 1 1 57 57 ASN N N 57 115.511 115.511 119.828 -4.317 19752 5283 1 8 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.880 -0.369 19752 5284 1 8 . 1 1 57 57 ASN C C 57 174.741 174.741 174.467 0.274 19752 5285 1 8 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.553 0.660 19752 5286 1 8 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.773 -2.144 19752 5287 1 8 . 1 1 57 57 ASN H H 57 8.149 8.149 8.312 -0.163 19752 5288 1 8 . 1 1 58 58 GLN N N 58 118.128 118.128 117.148 0.980 19752 5289 1 8 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.758 0.202 19752 5290 1 8 . 1 1 58 58 GLN C C 58 172.603 172.603 173.082 -0.479 19752 5291 1 8 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.177 -0.544 19752 5292 1 8 . 1 1 58 58 GLN CB C 58 30.568 30.568 30.232 0.336 19752 5293 1 8 . 1 1 58 58 GLN H H 58 7.702 7.702 7.787 -0.085 19752 5294 1 8 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.755 0.185 19752 5295 1 8 . 1 1 59 59 PRO C C 59 176.506 176.506 176.048 0.458 19752 5296 1 8 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.807 -0.551 19752 5297 1 8 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.054 0.606 19752 5298 1 8 . 1 1 60 60 ILE N N 60 120.974 120.974 125.606 -4.632 19752 5299 1 8 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.143 0.131 19752 5300 1 8 . 1 1 60 60 ILE C C 60 175.190 175.190 175.300 -0.110 19752 5301 1 8 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.079 0.608 19752 5302 1 8 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.474 2.271 19752 5303 1 8 . 1 1 60 60 ILE H H 60 8.126 8.126 8.828 -0.702 19752 5304 1 8 . 1 1 61 61 VAL N N 61 128.224 128.224 129.036 -0.812 19752 5305 1 8 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.188 -0.075 19752 5306 1 8 . 1 1 61 61 VAL C C 61 175.973 175.973 176.531 -0.558 19752 5307 1 8 . 1 1 61 61 VAL CA C 61 64.276 64.276 63.054 1.222 19752 5308 1 8 . 1 1 61 61 VAL CB C 61 31.930 31.930 30.877 1.053 19752 5309 1 8 . 1 1 61 61 VAL H H 61 8.421 8.421 8.729 -0.308 19752 5310 1 8 . 1 1 62 62 THR N N 62 118.454 118.454 124.695 -6.241 19752 5311 1 8 . 1 1 62 62 THR HA H 62 5.021 5.021 4.653 0.368 19752 5312 1 8 . 1 1 62 62 THR C C 62 174.936 174.936 173.924 1.012 19752 5313 1 8 . 1 1 62 62 THR CA C 62 61.286 61.286 61.644 -0.358 19752 5314 1 8 . 1 1 62 62 THR CB C 62 71.133 71.133 70.350 0.783 19752 5315 1 8 . 1 1 62 62 THR H H 62 7.989 7.989 9.058 -1.069 19752 5316 1 8 . 1 1 63 63 ARG N N 63 118.225 118.225 121.145 -2.920 19752 5317 1 8 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.303 0.126 19752 5318 1 8 . 1 1 63 63 ARG C C 63 175.607 175.607 175.002 0.605 19752 5319 1 8 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.369 -0.722 19752 5320 1 8 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.844 0.759 19752 5321 1 8 . 1 1 63 63 ARG H H 63 9.336 9.336 9.205 0.131 19752 5322 1 8 . 1 1 64 64 ILE N N 64 119.746 119.746 122.079 -2.333 19752 5323 1 8 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.046 0.419 19752 5324 1 8 . 1 1 64 64 ILE C C 64 179.206 179.206 176.736 2.470 19752 5325 1 8 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.291 -1.102 19752 5326 1 8 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.686 -0.438 19752 5327 1 8 . 1 1 64 64 ILE H H 64 8.741 8.741 8.318 0.423 19752 5328 1 8 . 1 1 65 65 GLY N N 65 116.059 116.059 115.948 0.111 19752 5329 1 8 . 1 1 65 65 GLY C C 65 174.185 174.185 173.020 1.165 19752 5330 1 8 . 1 1 65 65 GLY CA C 65 47.671 47.671 45.898 1.773 19752 5331 1 8 . 1 1 65 65 GLY H H 65 9.316 9.316 8.918 0.398 19752 5332 1 8 . 1 1 66 66 SER N N 66 114.840 114.840 113.553 1.287 19752 5333 1 8 . 1 1 66 66 SER HA H 66 4.160 4.160 4.238 -0.078 19752 5334 1 8 . 1 1 66 66 SER C C 66 170.281 170.281 171.649 -1.368 19752 5335 1 8 . 1 1 66 66 SER CA C 66 56.207 56.207 55.467 0.740 19752 5336 1 8 . 1 1 66 66 SER CB C 66 63.737 63.737 65.870 -2.133 19752 5337 1 8 . 1 1 66 66 SER H H 66 7.412 7.412 7.620 -0.208 19752 5338 1 8 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.705 -1.066 19752 5339 1 8 . 1 1 67 67 PRO C C 67 170.030 170.030 174.353 -4.323 19752 5340 1 8 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.289 -1.619 19752 5341 1 8 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.142 -5.232 19752 5342 1 8 . 1 1 68 68 PHE N N 68 111.778 111.778 119.687 -7.909 19752 5343 1 8 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.471 0.022 19752 5344 1 8 . 1 1 68 68 PHE C C 68 177.055 177.055 175.738 1.317 19752 5345 1 8 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.790 -1.162 19752 5346 1 8 . 1 1 68 68 PHE CB C 68 43.358 43.358 42.352 1.006 19752 5347 1 8 . 1 1 68 68 PHE H H 68 6.610 6.610 7.044 -0.434 19752 5348 1 8 . 1 1 69 69 LEU N N 69 119.491 119.491 121.880 -2.389 19752 5349 1 8 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.640 -0.327 19752 5350 1 8 . 1 1 69 69 LEU C C 69 176.326 176.326 176.666 -0.340 19752 5351 1 8 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.744 -0.513 19752 5352 1 8 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.825 -0.955 19752 5353 1 8 . 1 1 69 69 LEU H H 69 8.388 8.388 8.884 -0.496 19752 5354 1 8 . 1 1 70 70 ASN N N 70 112.229 112.229 113.685 -1.456 19752 5355 1 8 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.779 0.063 19752 5356 1 8 . 1 1 70 70 ASN C C 70 175.620 175.620 174.680 0.940 19752 5357 1 8 . 1 1 70 70 ASN CA C 70 51.668 51.668 51.887 -0.219 19752 5358 1 8 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.923 -0.271 19752 5359 1 8 . 1 1 70 70 ASN H H 70 7.675 7.675 8.067 -0.392 19752 5360 1 8 . 1 1 71 71 ALA N N 71 123.955 123.955 125.354 -1.399 19752 5361 1 8 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.461 0.098 19752 5362 1 8 . 1 1 71 71 ALA C C 71 174.274 174.274 175.743 -1.469 19752 5363 1 8 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.750 0.720 19752 5364 1 8 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.296 -0.452 19752 5365 1 8 . 1 1 71 71 ALA H H 71 7.152 7.152 7.309 -0.157 19752 5366 1 8 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.291 0.122 19752 5367 1 8 . 1 1 72 72 PRO C C 72 176.342 176.342 175.904 0.438 19752 5368 1 8 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.740 -0.622 19752 5369 1 8 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.605 0.550 19752 5370 1 8 . 1 1 73 73 VAL N N 73 121.078 121.078 118.897 2.181 19752 5371 1 8 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.536 -0.252 19752 5372 1 8 . 1 1 73 73 VAL C C 73 177.864 177.864 177.387 0.477 19752 5373 1 8 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.300 3.977 19752 5374 1 8 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.674 -0.950 19752 5375 1 8 . 1 1 73 73 VAL H H 73 8.328 8.328 8.096 0.232 19752 5376 1 8 . 1 1 74 74 GLY N N 74 114.118 114.118 107.895 6.223 19752 5377 1 8 . 1 1 74 74 GLY C C 74 173.963 173.963 173.827 0.136 19752 5378 1 8 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.907 -0.123 19752 5379 1 8 . 1 1 74 74 GLY H H 74 8.781 8.781 8.699 0.082 19752 5380 1 8 . 1 1 75 75 GLY N N 75 107.324 107.324 107.466 -0.142 19752 5381 1 8 . 1 1 75 75 GLY C C 75 173.460 173.460 171.607 1.853 19752 5382 1 8 . 1 1 75 75 GLY CA C 75 43.748 43.748 45.115 -1.367 19752 5383 1 8 . 1 1 75 75 GLY H H 75 7.278 7.278 8.027 -0.749 19752 5384 1 8 . 1 1 76 76 ASN N N 76 119.682 119.682 121.686 -2.004 19752 5385 1 8 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.293 0.129 19752 5386 1 8 . 1 1 76 76 ASN C C 76 175.760 175.760 174.161 1.599 19752 5387 1 8 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.576 -0.299 19752 5388 1 8 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.318 -2.105 19752 5389 1 8 . 1 1 76 76 ASN H H 76 8.797 8.797 8.507 0.290 19752 5390 1 8 . 1 1 77 77 LEU N N 77 129.545 129.545 128.682 0.863 19752 5391 1 8 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.906 -0.035 19752 5392 1 8 . 1 1 77 77 LEU C C 77 174.374 174.374 174.683 -0.309 19752 5393 1 8 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.420 0.794 19752 5394 1 8 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.064 0.007 19752 5395 1 8 . 1 1 77 77 LEU H H 77 10.083 10.083 8.964 1.119 19752 5396 1 8 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.451 -0.122 19752 5397 1 8 . 1 1 78 78 PRO C C 78 177.553 177.553 175.980 1.573 19752 5398 1 8 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.325 0.256 19752 5399 1 8 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.662 0.059 19752 5400 1 8 . 1 1 79 79 ALA N N 79 125.294 125.294 123.118 2.176 19752 5401 1 8 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.027 0.233 19752 5402 1 8 . 1 1 79 79 ALA C C 79 179.984 179.984 178.206 1.778 19752 5403 1 8 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.565 0.613 19752 5404 1 8 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.008 -0.762 19752 5405 1 8 . 1 1 79 79 ALA H H 79 8.585 8.585 8.149 0.436 19752 5406 1 8 . 1 1 80 80 GLY N N 80 110.970 110.970 111.363 -0.393 19752 5407 1 8 . 1 1 80 80 GLY C C 80 173.499 173.499 173.985 -0.486 19752 5408 1 8 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.734 1.220 19752 5409 1 8 . 1 1 80 80 GLY H H 80 8.004 8.004 8.815 -0.811 19752 5410 1 8 . 1 1 81 81 ALA N N 81 122.249 122.249 123.421 -1.172 19752 5411 1 8 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.623 -0.372 19752 5412 1 8 . 1 1 81 81 ALA C C 81 175.709 175.709 176.027 -0.318 19752 5413 1 8 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.363 1.402 19752 5414 1 8 . 1 1 81 81 ALA CB C 81 20.853 20.853 20.590 0.264 19752 5415 1 8 . 1 1 81 81 ALA H H 81 7.363 7.363 7.363 0.000 19752 5416 1 8 . 1 1 82 82 THR N N 82 114.980 114.980 118.935 -3.955 19752 5417 1 8 . 1 1 82 82 THR HA H 82 5.171 5.171 5.262 -0.091 19752 5418 1 8 . 1 1 82 82 THR C C 82 174.618 174.618 173.611 1.007 19752 5419 1 8 . 1 1 82 82 THR CA C 82 62.118 62.118 61.608 0.511 19752 5420 1 8 . 1 1 82 82 THR CB C 82 70.555 70.555 69.398 1.157 19752 5421 1 8 . 1 1 82 82 THR H H 82 8.181 8.181 8.375 -0.194 19752 5422 1 8 . 1 1 83 83 ILE N N 83 127.480 127.480 128.612 -1.132 19752 5423 1 8 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.336 0.068 19752 5424 1 8 . 1 1 83 83 ILE C C 83 173.926 173.926 174.458 -0.532 19752 5425 1 8 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.347 -0.008 19752 5426 1 8 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.177 2.051 19752 5427 1 8 . 1 1 83 83 ILE H H 83 9.627 9.627 9.192 0.435 19752 5428 1 8 . 1 1 84 84 VAL N N 84 128.246 128.246 126.935 1.311 19752 5429 1 8 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.421 0.252 19752 5430 1 8 . 1 1 84 84 VAL C C 84 175.501 175.501 175.109 0.392 19752 5431 1 8 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.221 1.914 19752 5432 1 8 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.568 -0.912 19752 5433 1 8 . 1 1 84 84 VAL H H 84 8.059 8.059 8.352 -0.293 19752 5434 1 8 . 1 1 85 85 TYR N N 85 126.862 126.862 125.370 1.492 19752 5435 1 8 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.928 0.497 19752 5436 1 8 . 1 1 85 85 TYR C C 85 174.273 174.273 174.256 0.017 19752 5437 1 8 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.604 0.207 19752 5438 1 8 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.692 1.584 19752 5439 1 8 . 1 1 85 85 TYR H H 85 8.840 8.840 8.728 0.112 19752 5440 1 8 . 1 1 86 86 ASP N N 86 115.086 115.086 117.856 -2.770 19752 5441 1 8 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.861 0.607 19752 5442 1 8 . 1 1 86 86 ASP C C 86 177.943 177.943 176.186 1.757 19752 5443 1 8 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.725 0.478 19752 5444 1 8 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.089 0.486 19752 5445 1 8 . 1 1 86 86 ASP H H 86 8.843 8.843 8.854 -0.011 19752 5446 1 8 . 1 1 87 87 GLU N N 87 124.208 124.208 119.703 4.505 19752 5447 1 8 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.156 -0.041 19752 5448 1 8 . 1 1 87 87 GLU C C 87 173.613 173.613 174.400 -0.787 19752 5449 1 8 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.678 0.094 19752 5450 1 8 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.729 1.778 19752 5451 1 8 . 1 1 87 87 GLU H H 87 8.121 8.121 7.969 0.152 19752 5452 1 8 . 1 1 88 88 VAL N N 88 121.754 121.754 126.649 -4.895 19752 5453 1 8 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.535 1.179 19752 5454 1 8 . 1 1 88 88 VAL C C 88 175.480 175.480 174.781 0.699 19752 5455 1 8 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.181 -1.411 19752 5456 1 8 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.684 1.960 19752 5457 1 8 . 1 1 88 88 VAL H H 88 8.822 8.822 9.049 -0.227 19752 5458 1 8 . 1 1 89 89 CYS N N 89 118.234 118.234 124.909 -6.675 19752 5459 1 8 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.064 0.235 19752 5460 1 8 . 1 1 89 89 CYS C C 89 174.126 174.126 173.395 0.731 19752 5461 1 8 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.787 0.298 19752 5462 1 8 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.526 1.578 19752 5463 1 8 . 1 1 89 89 CYS H H 89 9.404 9.404 9.586 -0.182 19752 5464 1 8 . 1 1 90 90 ILE N N 90 122.085 122.085 122.307 -0.222 19752 5465 1 8 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.598 0.635 19752 5466 1 8 . 1 1 90 90 ILE C C 90 176.210 176.210 174.389 1.821 19752 5467 1 8 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.867 0.691 19752 5468 1 8 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.996 1.492 19752 5469 1 8 . 1 1 90 90 ILE H H 90 9.773 9.773 9.431 0.342 19752 5470 1 8 . 1 1 91 91 GLN N N 91 125.884 125.884 127.836 -1.952 19752 5471 1 8 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.877 -0.258 19752 5472 1 8 . 1 1 91 91 GLN C C 91 176.019 176.019 174.666 1.353 19752 5473 1 8 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.766 1.456 19752 5474 1 8 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.789 -0.596 19752 5475 1 8 . 1 1 91 91 GLN H H 91 8.910 8.910 8.451 0.459 19752 5476 1 8 . 1 1 92 92 ALA N N 92 131.300 131.300 130.754 0.546 19752 5477 1 8 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.106 0.418 19752 5478 1 8 . 1 1 92 92 ALA C C 92 178.514 178.514 177.036 1.478 19752 5479 1 8 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.933 -0.467 19752 5480 1 8 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.902 0.366 19752 5481 1 8 . 1 1 92 92 ALA H H 92 9.888 9.888 9.156 0.732 19752 5482 1 8 . 1 1 93 93 GLY N N 93 107.622 107.622 112.837 -5.215 19752 5483 1 8 . 1 1 93 93 GLY C C 93 174.796 174.796 172.788 2.008 19752 5484 1 8 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.029 1.441 19752 5485 1 8 . 1 1 93 93 GLY H H 93 9.675 9.675 8.143 1.532 19752 5486 1 8 . 1 1 94 94 HIS N N 94 118.233 118.233 118.516 -0.283 19752 5487 1 8 . 1 1 94 94 HIS HA H 94 4.826 4.826 4.997 -0.171 19752 5488 1 8 . 1 1 94 94 HIS C C 94 173.575 173.575 172.592 0.983 19752 5489 1 8 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.572 0.648 19752 5490 1 8 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.010 -2.276 19752 5491 1 8 . 1 1 94 94 HIS H H 94 8.337 8.337 8.303 0.034 19752 5492 1 8 . 1 1 95 95 ILE N N 95 118.964 118.964 120.628 -1.664 19752 5493 1 8 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.523 0.688 19752 5494 1 8 . 1 1 95 95 ILE C C 95 174.555 174.555 173.474 1.081 19752 5495 1 8 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.838 1.144 19752 5496 1 8 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.802 -2.019 19752 5497 1 8 . 1 1 95 95 ILE H H 95 8.116 8.116 7.930 0.186 19752 5498 1 8 . 1 1 96 96 TRP N N 96 127.092 127.092 128.294 -1.202 19752 5499 1 8 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.660 -0.183 19752 5500 1 8 . 1 1 96 96 TRP C C 96 176.216 176.216 176.731 -0.515 19752 5501 1 8 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.931 -0.688 19752 5502 1 8 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.234 -0.466 19752 5503 1 8 . 1 1 96 96 TRP H H 96 9.869 9.869 9.309 0.560 19752 5504 1 8 . 1 1 97 97 ILE N N 97 113.283 113.283 120.172 -6.889 19752 5505 1 8 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.153 0.319 19752 5506 1 8 . 1 1 97 97 ILE C C 97 175.278 175.278 175.132 0.146 19752 5507 1 8 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.324 -0.140 19752 5508 1 8 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.464 0.185 19752 5509 1 8 . 1 1 97 97 ILE H H 97 8.893 8.893 8.964 -0.071 19752 5510 1 8 . 1 1 98 98 GLY N N 98 109.684 109.684 113.615 -3.931 19752 5511 1 8 . 1 1 98 98 GLY C C 98 172.048 172.048 172.454 -0.406 19752 5512 1 8 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.506 1.614 19752 5513 1 8 . 1 1 98 98 GLY H H 98 9.043 9.043 9.142 -0.099 19752 5514 1 8 . 1 1 99 99 TYR N N 99 117.809 117.809 121.242 -3.433 19752 5515 1 8 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.627 -0.719 19752 5516 1 8 . 1 1 99 99 TYR C C 99 172.626 172.626 173.503 -0.877 19752 5517 1 8 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.523 1.736 19752 5518 1 8 . 1 1 99 99 TYR CB C 99 40.147 40.147 41.422 -1.275 19752 5519 1 8 . 1 1 99 99 TYR H H 99 8.434 8.434 8.014 0.420 19752 5520 1 8 . 1 1 100 100 ASN N N 100 117.139 117.139 120.493 -3.354 19752 5521 1 8 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.058 0.228 19752 5522 1 8 . 1 1 100 100 ASN C C 100 175.315 175.315 174.814 0.501 19752 5523 1 8 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.133 -0.147 19752 5524 1 8 . 1 1 100 100 ASN CB C 100 39.375 39.375 39.635 -0.260 19752 5525 1 8 . 1 1 100 100 ASN H H 100 8.844 8.844 8.233 0.611 19752 5526 1 8 . 1 1 101 101 ALA N N 101 126.218 126.218 126.798 -0.580 19752 5527 1 8 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.592 0.045 19752 5528 1 8 . 1 1 101 101 ALA C C 101 179.095 179.095 178.756 0.339 19752 5529 1 8 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.416 0.796 19752 5530 1 8 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.174 0.468 19752 5531 1 8 . 1 1 101 101 ALA H H 101 8.870 8.870 8.243 0.627 19752 5532 1 8 . 1 1 102 102 TYR N N 102 121.067 121.067 117.933 3.134 19752 5533 1 8 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.289 0.050 19752 5534 1 8 . 1 1 102 102 TYR C C 102 175.986 175.986 176.540 -0.554 19752 5535 1 8 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.503 0.641 19752 5536 1 8 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.966 -0.313 19752 5537 1 8 . 1 1 102 102 TYR H H 102 8.720 8.720 8.491 0.229 19752 5538 1 8 . 1 1 103 103 ASN N N 103 115.289 115.289 118.299 -3.010 19752 5539 1 8 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.598 -0.186 19752 5540 1 8 . 1 1 103 103 ASN C C 103 175.963 175.963 176.297 -0.334 19752 5541 1 8 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.974 -0.728 19752 5542 1 8 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.524 -1.279 19752 5543 1 8 . 1 1 103 103 ASN H H 103 7.490 7.490 7.579 -0.089 19752 5544 1 8 . 1 1 104 104 GLY N N 104 107.204 107.204 107.684 -0.480 19752 5545 1 8 . 1 1 104 104 GLY C C 104 174.620 174.620 173.163 1.457 19752 5546 1 8 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.080 0.048 19752 5547 1 8 . 1 1 104 104 GLY H H 104 8.020 8.020 7.939 0.081 19752 5548 1 8 . 1 1 105 105 ASN N N 105 118.581 118.581 118.725 -0.144 19752 5549 1 8 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.578 -0.002 19752 5550 1 8 . 1 1 105 105 ASN C C 105 173.805 173.805 174.210 -0.405 19752 5551 1 8 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.596 0.434 19752 5552 1 8 . 1 1 105 105 ASN CB C 105 38.984 38.984 38.891 0.093 19752 5553 1 8 . 1 1 105 105 ASN H H 105 7.703 7.703 7.902 -0.199 19752 5554 1 8 . 1 1 106 106 ARG N N 106 123.191 123.191 125.261 -2.070 19752 5555 1 8 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.476 0.088 19752 5556 1 8 . 1 1 106 106 ARG C C 106 174.360 174.360 175.090 -0.730 19752 5557 1 8 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.331 -0.669 19752 5558 1 8 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.011 0.596 19752 5559 1 8 . 1 1 106 106 ARG H H 106 8.635 8.635 8.549 0.086 19752 5560 1 8 . 1 1 107 107 VAL N N 107 128.482 128.482 126.239 2.243 19752 5561 1 8 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.341 0.212 19752 5562 1 8 . 1 1 107 107 VAL C C 107 172.290 172.290 173.896 -1.606 19752 5563 1 8 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.174 -0.490 19752 5564 1 8 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.443 1.034 19752 5565 1 8 . 1 1 107 107 VAL H H 107 8.668 8.668 7.943 0.725 19752 5566 1 8 . 1 1 108 108 TYR N N 108 119.055 119.055 123.887 -4.832 19752 5567 1 8 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.475 0.018 19752 5568 1 8 . 1 1 108 108 TYR C C 108 175.215 175.215 175.106 0.109 19752 5569 1 8 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.148 0.424 19752 5570 1 8 . 1 1 108 108 TYR CB C 108 42.435 42.435 42.191 0.244 19752 5571 1 8 . 1 1 108 108 TYR H H 108 8.944 8.944 9.088 -0.144 19752 5572 1 8 . 1 1 109 109 CYS N N 109 124.377 124.377 122.158 2.219 19752 5573 1 8 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.185 0.260 19752 5574 1 8 . 1 1 109 109 CYS C C 109 171.899 171.899 173.721 -1.822 19752 5575 1 8 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.152 -0.987 19752 5576 1 8 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.422 -1.619 19752 5577 1 8 . 1 1 109 109 CYS H H 109 9.675 9.675 8.574 1.101 19752 5578 1 8 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.263 0.916 19752 5579 1 8 . 1 1 110 110 PRO C C 110 175.490 175.490 177.365 -1.875 19752 5580 1 8 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.891 -1.293 19752 5581 1 8 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.105 -1.649 19752 5582 1 8 . 1 1 111 111 VAL N N 111 109.293 109.293 111.468 -2.175 19752 5583 1 8 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.457 0.952 19752 5584 1 8 . 1 1 111 111 VAL C C 111 173.598 173.598 174.160 -0.562 19752 5585 1 8 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.907 -3.814 19752 5586 1 8 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.097 3.424 19752 5587 1 8 . 1 1 111 111 VAL H H 111 8.382 8.382 7.412 0.970 19752 5588 1 8 . 1 1 112 112 ARG N N 112 110.825 110.825 115.034 -4.209 19752 5589 1 8 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.193 -1.035 19752 5590 1 8 . 1 1 112 112 ARG C C 112 175.480 175.480 174.221 1.259 19752 5591 1 8 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.708 0.741 19752 5592 1 8 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.215 -1.069 19752 5593 1 8 . 1 1 112 112 ARG H H 112 6.735 6.735 7.841 -1.106 19752 5594 1 8 . 1 1 113 113 THR N N 113 111.002 111.002 115.468 -4.466 19752 5595 1 8 . 1 1 113 113 THR HA H 113 4.238 4.238 4.268 -0.030 19752 5596 1 8 . 1 1 113 113 THR C C 113 174.123 174.123 173.424 0.699 19752 5597 1 8 . 1 1 113 113 THR CA C 113 62.468 62.468 63.432 -0.964 19752 5598 1 8 . 1 1 113 113 THR CB C 113 70.502 70.502 69.492 1.010 19752 5599 1 8 . 1 1 113 113 THR H H 113 8.898 8.898 7.728 1.170 19752 5600 1 8 . 1 1 114 114 CYS N N 114 119.522 119.522 126.753 -7.231 19752 5601 1 8 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.440 -0.925 19752 5602 1 8 . 1 1 114 114 CYS C C 114 172.669 172.669 172.358 0.311 19752 5603 1 8 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.173 2.444 19752 5604 1 8 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.665 -1.120 19752 5605 1 8 . 1 1 114 114 CYS H H 114 7.936 7.936 8.049 -0.113 19752 5606 1 8 . 1 1 115 115 GLN N N 115 129.342 129.342 124.590 4.752 19752 5607 1 8 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.646 -0.018 19752 5608 1 8 . 1 1 115 115 GLN C C 115 175.456 175.456 174.821 0.635 19752 5609 1 8 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.299 -0.057 19752 5610 1 8 . 1 1 115 115 GLN CB C 115 31.176 31.176 32.764 -1.587 19752 5611 1 8 . 1 1 115 115 GLN H H 115 7.963 7.963 8.823 -0.860 19752 5612 1 8 . 1 1 116 116 GLY N N 116 112.311 112.311 108.044 4.267 19752 5613 1 8 . 1 1 116 116 GLY C C 116 171.907 171.907 172.150 -0.243 19752 5614 1 8 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.901 -0.684 19752 5615 1 8 . 1 1 116 116 GLY H H 116 8.591 8.591 8.271 0.320 19752 5616 1 8 . 1 1 117 117 VAL N N 117 110.113 110.113 114.599 -4.486 19752 5617 1 8 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.594 -0.456 19752 5618 1 8 . 1 1 117 117 VAL C C 117 171.857 171.857 173.336 -1.479 19752 5619 1 8 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.788 0.169 19752 5620 1 8 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.305 -1.756 19752 5621 1 8 . 1 1 117 117 VAL H H 117 7.745 7.745 7.891 -0.146 19752 5622 1 8 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.925 0.571 19752 5623 1 8 . 1 1 118 118 PRO CA C 118 61.490 61.490 61.581 -0.091 19752 5624 1 8 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.391 -0.631 19752 5625 1 8 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.802 0.574 19752 5626 1 8 . 1 1 119 119 PRO C C 119 176.006 176.006 175.915 0.091 19752 5627 1 8 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.311 1.845 19752 5628 1 8 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.343 1.692 19752 5629 1 8 . 1 1 120 120 ASN N N 120 124.472 124.472 120.416 4.056 19752 5630 1 8 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.490 0.414 19752 5631 1 8 . 1 1 120 120 ASN C C 120 172.963 172.963 173.723 -0.760 19752 5632 1 8 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.511 0.604 19752 5633 1 8 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.486 0.741 19752 5634 1 8 . 1 1 120 120 ASN H H 120 8.414 8.414 7.845 0.569 19752 5635 1 8 . 1 1 121 121 HIS N N 121 120.276 120.276 122.561 -2.285 19752 5636 1 8 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.718 -0.291 19752 5637 1 8 . 1 1 121 121 HIS C C 121 174.788 174.788 174.243 0.545 19752 5638 1 8 . 1 1 121 121 HIS CA C 121 55.700 55.700 54.270 1.430 19752 5639 1 8 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.258 0.450 19752 5640 1 8 . 1 1 121 121 HIS H H 121 8.591 8.591 7.589 1.002 19752 5641 1 8 . 1 1 122 122 ILE N N 122 120.474 120.474 125.997 -5.523 19752 5642 1 8 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.418 -0.073 19752 5643 1 8 . 1 1 122 122 ILE C C 122 174.718 174.718 173.916 0.802 19752 5644 1 8 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.724 -0.593 19752 5645 1 8 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.492 1.278 19752 5646 1 8 . 1 1 122 122 ILE H H 122 8.883 8.883 9.059 -0.176 19752 5647 1 8 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.945 -0.449 19752 5648 1 8 . 1 1 123 123 PRO C C 123 177.104 177.104 176.378 0.726 19752 5649 1 8 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.968 0.639 19752 5650 1 8 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.184 0.345 19752 5651 1 8 . 1 1 124 124 GLY N N 124 111.030 111.030 111.987 -0.957 19752 5652 1 8 . 1 1 124 124 GLY C C 124 173.906 173.906 173.712 0.194 19752 5653 1 8 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.961 -0.844 19752 5654 1 8 . 1 1 124 124 GLY H H 124 8.553 8.553 8.538 0.015 19752 5655 1 8 . 1 1 125 125 VAL N N 125 121.916 121.916 122.328 -0.412 19752 5656 1 8 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.829 0.091 19752 5657 1 8 . 1 1 125 125 VAL C C 125 176.148 176.148 174.851 1.297 19752 5658 1 8 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.816 0.822 19752 5659 1 8 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.817 0.301 19752 5660 1 8 . 1 1 125 125 VAL H H 125 8.493 8.493 8.091 0.402 19752 5661 1 8 . 1 1 126 126 ALA N N 126 127.872 127.872 130.037 -2.165 19752 5662 1 8 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.115 0.375 19752 5663 1 8 . 1 1 126 126 ALA C C 126 179.447 179.447 176.754 2.693 19752 5664 1 8 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.935 1.734 19752 5665 1 8 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.406 0.222 19752 5666 1 8 . 1 1 126 126 ALA H H 126 8.835 8.835 8.285 0.550 19752 5667 1 8 . 1 1 127 127 TRP N N 127 121.928 121.928 121.953 -0.025 19752 5668 1 8 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.881 0.232 19752 5669 1 8 . 1 1 127 127 TRP C C 127 174.684 174.684 175.460 -0.776 19752 5670 1 8 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.853 -0.224 19752 5671 1 8 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.791 -2.637 19752 5672 1 8 . 1 1 127 127 TRP H H 127 8.555 8.555 8.653 -0.098 19752 5673 1 8 . 1 1 128 128 GLY N N 128 103.981 103.981 105.800 -1.819 19752 5674 1 8 . 1 1 128 128 GLY C C 128 171.694 171.694 172.334 -0.640 19752 5675 1 8 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.893 0.796 19752 5676 1 8 . 1 1 128 128 GLY H H 128 7.280 7.280 7.559 -0.279 19752 5677 1 8 . 1 1 129 129 VAL N N 129 119.078 119.078 120.141 -1.063 19752 5678 1 8 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.392 -0.049 19752 5679 1 8 . 1 1 129 129 VAL C C 129 173.255 173.255 174.927 -1.672 19752 5680 1 8 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.545 0.116 19752 5681 1 8 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.555 0.996 19752 5682 1 8 . 1 1 129 129 VAL H H 129 8.274 8.274 8.309 -0.035 19752 5683 1 8 . 1 1 130 130 PHE N N 130 122.633 122.633 126.970 -4.337 19752 5684 1 8 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.123 0.421 19752 5685 1 8 . 1 1 130 130 PHE C C 130 175.771 175.771 176.010 -0.239 19752 5686 1 8 . 1 1 130 130 PHE CA C 130 57.176 57.176 58.700 -1.524 19752 5687 1 8 . 1 1 130 130 PHE CB C 130 40.670 40.670 39.898 0.772 19752 5688 1 8 . 1 1 130 130 PHE H H 130 8.464 8.464 8.746 -0.282 19752 5689 1 9 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.637 0.129 19752 5690 1 9 . 1 1 2 2 ASN C C 2 174.930 174.930 174.972 -0.042 19752 5691 1 9 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.916 -0.707 19752 5692 1 9 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.562 0.651 19752 5693 1 9 . 1 1 3 3 ALA N N 3 124.643 124.643 123.926 0.717 19752 5694 1 9 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.522 -0.258 19752 5695 1 9 . 1 1 3 3 ALA C C 3 177.790 177.790 176.044 1.746 19752 5696 1 9 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.612 1.225 19752 5697 1 9 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.705 -0.465 19752 5698 1 9 . 1 1 3 3 ALA H H 3 8.386 8.386 8.268 0.118 19752 5699 1 9 . 1 1 4 4 LYS N N 4 120.203 120.203 123.247 -3.044 19752 5700 1 9 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.552 -0.329 19752 5701 1 9 . 1 1 4 4 LYS C C 4 176.230 176.230 175.313 0.917 19752 5702 1 9 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.279 0.255 19752 5703 1 9 . 1 1 4 4 LYS CB C 4 32.811 32.811 33.920 -1.109 19752 5704 1 9 . 1 1 4 4 LYS H H 4 8.300 8.300 8.633 -0.333 19752 5705 1 9 . 1 1 5 5 ASN N N 5 119.229 119.229 125.578 -6.349 19752 5706 1 9 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.831 -0.163 19752 5707 1 9 . 1 1 5 5 ASN C C 5 175.033 175.033 174.096 0.937 19752 5708 1 9 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.642 -0.517 19752 5709 1 9 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.061 -0.284 19752 5710 1 9 . 1 1 5 5 ASN H H 5 8.320 8.320 8.573 -0.253 19752 5711 1 9 . 1 1 6 6 TYR N N 6 120.593 120.593 122.939 -2.346 19752 5712 1 9 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.313 0.197 19752 5713 1 9 . 1 1 6 6 TYR C C 6 175.554 175.554 176.289 -0.735 19752 5714 1 9 . 1 1 6 6 TYR CA C 6 58.213 58.213 59.772 -1.559 19752 5715 1 9 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.096 -0.494 19752 5716 1 9 . 1 1 6 6 TYR H H 6 8.087 8.087 8.483 -0.396 19752 5717 1 9 . 1 1 7 7 MET N N 7 121.477 121.477 119.020 2.457 19752 5718 1 9 . 1 1 7 7 MET HA H 7 4.391 4.391 4.442 -0.051 19752 5719 1 9 . 1 1 7 7 MET C C 7 175.609 175.609 174.694 0.915 19752 5720 1 9 . 1 1 7 7 MET CA C 7 55.494 55.494 54.974 0.520 19752 5721 1 9 . 1 1 7 7 MET CB C 7 32.970 32.970 32.570 0.400 19752 5722 1 9 . 1 1 7 7 MET H H 7 8.121 8.121 8.121 0.000 19752 5723 1 9 . 1 1 8 8 ASP N N 8 121.704 121.704 125.846 -4.142 19752 5724 1 9 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.675 -0.120 19752 5725 1 9 . 1 1 8 8 ASP C C 8 176.344 176.344 175.949 0.395 19752 5726 1 9 . 1 1 8 8 ASP CA C 8 54.471 54.471 53.745 0.726 19752 5727 1 9 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.229 0.093 19752 5728 1 9 . 1 1 8 8 ASP H H 8 8.189 8.189 8.522 -0.333 19752 5729 1 9 . 1 1 9 9 LYS N N 9 122.168 122.168 120.743 1.425 19752 5730 1 9 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.007 0.300 19752 5731 1 9 . 1 1 9 9 LYS C C 9 177.267 177.267 176.724 0.543 19752 5732 1 9 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.800 -0.178 19752 5733 1 9 . 1 1 9 9 LYS CB C 9 32.765 32.765 30.588 2.177 19752 5734 1 9 . 1 1 9 9 LYS H H 9 8.335 8.335 8.484 -0.149 19752 5735 1 9 . 1 1 10 10 GLY N N 10 109.505 109.505 109.342 0.163 19752 5736 1 9 . 1 1 10 10 GLY C C 10 174.568 174.568 174.001 0.567 19752 5737 1 9 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.667 0.916 19752 5738 1 9 . 1 1 10 10 GLY H H 10 8.497 8.497 8.183 0.314 19752 5739 1 9 . 1 1 11 11 THR N N 11 113.312 113.312 116.480 -3.168 19752 5740 1 9 . 1 1 11 11 THR HA H 11 4.396 4.396 4.288 0.108 19752 5741 1 9 . 1 1 11 11 THR C C 11 174.719 174.719 174.838 -0.119 19752 5742 1 9 . 1 1 11 11 THR CA C 11 61.779 61.779 62.297 -0.518 19752 5743 1 9 . 1 1 11 11 THR CB C 11 69.963 69.963 68.627 1.336 19752 5744 1 9 . 1 1 11 11 THR H H 11 8.081 8.081 7.911 0.170 19752 5745 1 9 . 1 1 12 12 SER N N 12 118.272 118.272 122.544 -4.272 19752 5746 1 9 . 1 1 12 12 SER HA H 12 4.499 4.499 4.322 0.177 19752 5747 1 9 . 1 1 12 12 SER C C 12 174.766 174.766 174.510 0.256 19752 5748 1 9 . 1 1 12 12 SER CA C 12 58.432 58.432 60.197 -1.765 19752 5749 1 9 . 1 1 12 12 SER CB C 12 63.986 63.986 63.528 0.458 19752 5750 1 9 . 1 1 12 12 SER H H 12 8.413 8.413 8.526 -0.113 19752 5751 1 9 . 1 1 13 13 SER N N 13 118.106 118.106 116.638 1.468 19752 5752 1 9 . 1 1 13 13 SER HA H 13 4.518 4.518 4.556 -0.038 19752 5753 1 9 . 1 1 13 13 SER C C 13 174.674 174.674 173.718 0.956 19752 5754 1 9 . 1 1 13 13 SER CA C 13 58.607 58.607 57.861 0.746 19752 5755 1 9 . 1 1 13 13 SER CB C 13 63.869 63.869 65.832 -1.963 19752 5756 1 9 . 1 1 13 13 SER H H 13 8.414 8.414 8.073 0.341 19752 5757 1 9 . 1 1 14 14 SER N N 14 117.724 117.724 120.162 -2.438 19752 5758 1 9 . 1 1 14 14 SER HA H 14 4.535 4.535 4.541 -0.006 19752 5759 1 9 . 1 1 14 14 SER C C 14 174.743 174.743 174.773 -0.030 19752 5760 1 9 . 1 1 14 14 SER CA C 14 58.630 58.630 58.193 0.437 19752 5761 1 9 . 1 1 14 14 SER CB C 14 63.798 63.798 62.139 1.659 19752 5762 1 9 . 1 1 14 14 SER H H 14 8.379 8.379 8.675 -0.296 19752 5763 1 9 . 1 1 15 15 THR N N 15 116.549 116.549 119.270 -2.721 19752 5764 1 9 . 1 1 15 15 THR HA H 15 4.336 4.336 4.246 0.090 19752 5765 1 9 . 1 1 15 15 THR C C 15 174.310 174.310 173.750 0.560 19752 5766 1 9 . 1 1 15 15 THR CA C 15 62.161 62.161 63.537 -1.376 19752 5767 1 9 . 1 1 15 15 THR CB C 15 69.603 69.603 69.534 0.069 19752 5768 1 9 . 1 1 15 15 THR H H 15 8.195 8.195 8.523 -0.328 19752 5769 1 9 . 1 1 16 16 VAL N N 16 123.406 123.406 121.601 1.805 19752 5770 1 9 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.390 -0.288 19752 5771 1 9 . 1 1 16 16 VAL C C 16 175.934 175.934 174.692 1.242 19752 5772 1 9 . 1 1 16 16 VAL CA C 16 62.512 62.512 60.448 2.064 19752 5773 1 9 . 1 1 16 16 VAL CB C 16 32.738 32.738 34.533 -1.796 19752 5774 1 9 . 1 1 16 16 VAL H H 16 8.121 8.121 7.296 0.825 19752 5775 1 9 . 1 1 17 17 VAL N N 17 125.445 125.445 126.719 -1.274 19752 5776 1 9 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.134 -0.049 19752 5777 1 9 . 1 1 17 17 VAL C C 17 176.102 176.102 174.955 1.147 19752 5778 1 9 . 1 1 17 17 VAL CA C 17 62.279 62.279 61.459 0.820 19752 5779 1 9 . 1 1 17 17 VAL CB C 17 32.677 32.677 30.658 2.019 19752 5780 1 9 . 1 1 17 17 VAL H H 17 8.293 8.293 8.469 -0.176 19752 5781 1 9 . 1 1 18 18 LYS N N 18 126.281 126.281 127.052 -0.771 19752 5782 1 9 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.151 0.191 19752 5783 1 9 . 1 1 18 18 LYS C C 18 176.138 176.138 176.057 0.081 19752 5784 1 9 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.689 -0.484 19752 5785 1 9 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.934 0.212 19752 5786 1 9 . 1 1 18 18 LYS H H 18 8.478 8.478 8.006 0.472 19752 5787 1 9 . 1 1 19 19 ASP N N 19 121.904 121.904 124.782 -2.878 19752 5788 1 9 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.819 -0.255 19752 5789 1 9 . 1 1 19 19 ASP C C 19 176.698 176.698 176.046 0.652 19752 5790 1 9 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.142 0.243 19752 5791 1 9 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.728 -0.505 19752 5792 1 9 . 1 1 19 19 ASP H H 19 8.379 8.379 8.565 -0.186 19752 5793 1 9 . 1 1 20 20 GLY N N 20 109.177 109.177 112.883 -3.706 19752 5794 1 9 . 1 1 20 20 GLY C C 20 174.374 174.374 174.163 0.211 19752 5795 1 9 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.905 -0.267 19752 5796 1 9 . 1 1 20 20 GLY H H 20 8.390 8.390 8.682 -0.292 19752 5797 1 9 . 1 1 21 21 LYS N N 21 120.814 120.814 122.434 -1.620 19752 5798 1 9 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.374 0.015 19752 5799 1 9 . 1 1 21 21 LYS C C 21 177.041 177.041 175.321 1.720 19752 5800 1 9 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.344 0.232 19752 5801 1 9 . 1 1 21 21 LYS CB C 21 33.090 33.090 30.663 2.427 19752 5802 1 9 . 1 1 21 21 LYS H H 21 8.229 8.229 8.373 -0.144 19752 5803 1 9 . 1 1 22 22 THR N N 22 115.105 115.105 117.835 -2.730 19752 5804 1 9 . 1 1 22 22 THR HA H 22 4.393 4.393 4.390 0.003 19752 5805 1 9 . 1 1 22 22 THR C C 22 174.607 174.607 173.246 1.361 19752 5806 1 9 . 1 1 22 22 THR CA C 22 61.880 61.880 61.769 0.111 19752 5807 1 9 . 1 1 22 22 THR CB C 22 69.736 69.736 69.956 -0.220 19752 5808 1 9 . 1 1 22 22 THR H H 22 8.237 8.237 7.801 0.436 19752 5809 1 9 . 1 1 24 24 SER HA H 24 4.486 4.486 4.278 0.208 19752 5810 1 9 . 1 1 24 24 SER C C 24 174.299 174.299 174.681 -0.382 19752 5811 1 9 . 1 1 24 24 SER CA C 24 58.547 58.547 60.061 -1.514 19752 5812 1 9 . 1 1 24 24 SER CB C 24 63.787 63.787 63.630 0.157 19752 5813 1 9 . 1 1 25 25 ALA N N 25 125.891 125.891 122.221 3.670 19752 5814 1 9 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.540 -0.164 19752 5815 1 9 . 1 1 25 25 ALA C C 25 177.660 177.660 176.698 0.962 19752 5816 1 9 . 1 1 25 25 ALA CA C 25 52.629 52.629 52.017 0.612 19752 5817 1 9 . 1 1 25 25 ALA CB C 25 19.291 19.291 20.119 -0.828 19752 5818 1 9 . 1 1 25 25 ALA H H 25 8.328 8.328 7.829 0.499 19752 5819 1 9 . 1 1 26 26 SER N N 26 115.155 115.155 117.280 -2.125 19752 5820 1 9 . 1 1 26 26 SER HA H 26 4.486 4.486 4.503 -0.017 19752 5821 1 9 . 1 1 26 26 SER C C 26 174.291 174.291 174.590 -0.299 19752 5822 1 9 . 1 1 26 26 SER CA C 26 58.237 58.237 58.669 -0.432 19752 5823 1 9 . 1 1 26 26 SER CB C 26 63.917 63.917 63.783 0.134 19752 5824 1 9 . 1 1 26 26 SER H H 26 8.267 8.267 8.849 -0.582 19752 5825 1 9 . 1 1 27 27 THR N N 27 118.324 118.324 118.179 0.145 19752 5826 1 9 . 1 1 27 27 THR HA H 27 4.627 4.627 4.687 -0.060 19752 5827 1 9 . 1 1 27 27 THR C C 27 172.782 172.782 173.621 -0.839 19752 5828 1 9 . 1 1 27 27 THR CA C 27 59.748 59.748 60.170 -0.422 19752 5829 1 9 . 1 1 27 27 THR CB C 27 69.702 69.702 69.737 -0.035 19752 5830 1 9 . 1 1 27 27 THR H H 27 8.164 8.164 7.851 0.313 19752 5831 1 9 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.330 0.073 19752 5832 1 9 . 1 1 28 28 PRO C C 28 176.630 176.630 176.084 0.546 19752 5833 1 9 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.348 -0.098 19752 5834 1 9 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.697 0.468 19752 5835 1 9 . 1 1 29 29 ALA N N 29 124.263 124.263 119.990 4.273 19752 5836 1 9 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.136 0.213 19752 5837 1 9 . 1 1 29 29 ALA C C 29 177.974 177.974 177.453 0.521 19752 5838 1 9 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.864 -0.209 19752 5839 1 9 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.998 1.279 19752 5840 1 9 . 1 1 29 29 ALA H H 29 8.432 8.432 7.644 0.788 19752 5841 1 9 . 1 1 30 30 THR N N 30 113.368 113.368 113.351 0.017 19752 5842 1 9 . 1 1 30 30 THR HA H 30 4.281 4.281 4.375 -0.094 19752 5843 1 9 . 1 1 30 30 THR C C 30 174.257 174.257 174.151 0.106 19752 5844 1 9 . 1 1 30 30 THR CA C 30 61.656 61.656 62.720 -1.064 19752 5845 1 9 . 1 1 30 30 THR CB C 30 69.801 69.801 67.642 2.159 19752 5846 1 9 . 1 1 30 30 THR H H 30 8.106 8.106 8.267 -0.161 19752 5847 1 9 . 1 1 31 31 ARG N N 31 124.700 124.700 123.104 1.596 19752 5848 1 9 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.633 0.017 19752 5849 1 9 . 1 1 31 31 ARG C C 31 174.094 174.094 174.737 -0.643 19752 5850 1 9 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.514 -2.463 19752 5851 1 9 . 1 1 31 31 ARG CB C 31 30.374 30.374 30.460 -0.086 19752 5852 1 9 . 1 1 31 31 ARG H H 31 8.318 8.318 8.258 0.060 19752 5853 1 9 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.448 0.051 19752 5854 1 9 . 1 1 32 32 PRO C C 32 177.065 177.065 176.106 0.959 19752 5855 1 9 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.050 0.010 19752 5856 1 9 . 1 1 32 32 PRO CB C 32 32.157 32.157 30.975 1.182 19752 5857 1 9 . 1 1 33 33 VAL N N 33 120.890 120.890 126.316 -5.426 19752 5858 1 9 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.362 -0.154 19752 5859 1 9 . 1 1 33 33 VAL C C 33 176.668 176.668 175.660 1.008 19752 5860 1 9 . 1 1 33 33 VAL CA C 33 62.608 62.608 61.637 0.971 19752 5861 1 9 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.896 -0.149 19752 5862 1 9 . 1 1 33 33 VAL H H 33 8.447 8.447 7.983 0.464 19752 5863 1 9 . 1 1 34 34 THR N N 34 116.709 116.709 120.481 -3.772 19752 5864 1 9 . 1 1 34 34 THR HA H 34 4.377 4.377 4.530 -0.153 19752 5865 1 9 . 1 1 34 34 THR C C 34 174.791 174.791 175.112 -0.321 19752 5866 1 9 . 1 1 34 34 THR CA C 34 61.700 61.700 61.091 0.609 19752 5867 1 9 . 1 1 34 34 THR CB C 34 69.697 69.697 69.380 0.317 19752 5868 1 9 . 1 1 34 34 THR H H 34 8.221 8.221 8.601 -0.380 19752 5869 1 9 . 1 1 35 35 GLY N N 35 111.182 111.182 110.595 0.587 19752 5870 1 9 . 1 1 35 35 GLY C C 35 173.940 173.940 174.384 -0.444 19752 5871 1 9 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.532 0.124 19752 5872 1 9 . 1 1 35 35 GLY H H 35 8.376 8.376 8.206 0.170 19752 5873 1 9 . 1 1 36 36 SER N N 36 116.779 116.779 116.825 -0.046 19752 5874 1 9 . 1 1 36 36 SER HA H 36 4.456 4.456 4.576 -0.120 19752 5875 1 9 . 1 1 36 36 SER C C 36 173.880 173.880 174.276 -0.396 19752 5876 1 9 . 1 1 36 36 SER CA C 36 58.255 58.255 57.679 0.576 19752 5877 1 9 . 1 1 36 36 SER CB C 36 64.195 64.195 63.201 0.994 19752 5878 1 9 . 1 1 36 36 SER H H 36 8.456 8.456 8.486 -0.030 19752 5879 1 9 . 1 1 37 37 TRP N N 37 121.744 121.744 121.767 -0.023 19752 5880 1 9 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.842 -0.314 19752 5881 1 9 . 1 1 37 37 TRP C C 37 176.500 176.500 176.517 -0.017 19752 5882 1 9 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.667 1.423 19752 5883 1 9 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.616 0.391 19752 5884 1 9 . 1 1 37 37 TRP H H 37 8.171 8.171 7.544 0.627 19752 5885 1 9 . 1 1 38 38 LYS N N 38 123.158 123.158 122.645 0.513 19752 5886 1 9 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.851 -0.225 19752 5887 1 9 . 1 1 38 38 LYS C C 38 172.839 172.839 174.765 -1.926 19752 5888 1 9 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.458 0.698 19752 5889 1 9 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.447 1.209 19752 5890 1 9 . 1 1 38 38 LYS H H 38 8.736 8.736 9.088 -0.352 19752 5891 1 9 . 1 1 39 39 LYS N N 39 121.526 121.526 122.883 -1.357 19752 5892 1 9 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.694 0.046 19752 5893 1 9 . 1 1 39 39 LYS C C 39 177.510 177.510 176.750 0.760 19752 5894 1 9 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.066 -0.750 19752 5895 1 9 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.023 0.334 19752 5896 1 9 . 1 1 39 39 LYS H H 39 8.123 8.123 8.396 -0.273 19752 5897 1 9 . 1 1 40 40 ASN N N 40 123.988 123.988 126.499 -2.511 19752 5898 1 9 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.875 0.181 19752 5899 1 9 . 1 1 40 40 ASN C C 40 177.524 177.524 176.551 0.973 19752 5900 1 9 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.279 -1.440 19752 5901 1 9 . 1 1 40 40 ASN CB C 40 39.156 39.156 38.798 0.358 19752 5902 1 9 . 1 1 40 40 ASN H H 40 8.583 8.583 9.187 -0.604 19752 5903 1 9 . 1 1 41 41 GLN N N 41 116.529 116.529 117.278 -0.749 19752 5904 1 9 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.030 0.030 19752 5905 1 9 . 1 1 41 41 GLN C C 41 175.829 175.829 175.797 0.032 19752 5906 1 9 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.821 -0.060 19752 5907 1 9 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.160 -0.213 19752 5908 1 9 . 1 1 41 41 GLN H H 41 8.856 8.856 8.675 0.181 19752 5909 1 9 . 1 1 42 42 TYR N N 42 119.255 119.255 117.278 1.977 19752 5910 1 9 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.606 0.045 19752 5911 1 9 . 1 1 42 42 TYR C C 42 175.782 175.782 175.944 -0.162 19752 5912 1 9 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.689 -0.569 19752 5913 1 9 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.115 0.003 19752 5914 1 9 . 1 1 42 42 TYR H H 42 7.604 7.604 7.807 -0.203 19752 5915 1 9 . 1 1 43 43 GLY N N 43 106.354 106.354 108.895 -2.541 19752 5916 1 9 . 1 1 43 43 GLY C C 43 173.297 173.297 174.444 -1.147 19752 5917 1 9 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.453 -0.290 19752 5918 1 9 . 1 1 43 43 GLY H H 43 7.993 7.993 7.695 0.298 19752 5919 1 9 . 1 1 44 44 THR N N 44 120.062 120.062 116.293 3.769 19752 5920 1 9 . 1 1 44 44 THR HA H 44 4.176 4.176 4.667 -0.491 19752 5921 1 9 . 1 1 44 44 THR C C 44 173.969 173.969 173.531 0.438 19752 5922 1 9 . 1 1 44 44 THR CA C 44 62.132 62.132 63.081 -0.950 19752 5923 1 9 . 1 1 44 44 THR CB C 44 68.989 68.989 70.817 -1.828 19752 5924 1 9 . 1 1 44 44 THR H H 44 7.781 7.781 8.117 -0.336 19752 5925 1 9 . 1 1 45 45 TRP N N 45 129.666 129.666 127.454 2.212 19752 5926 1 9 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.506 0.170 19752 5927 1 9 . 1 1 45 45 TRP C C 45 175.999 175.999 176.184 -0.185 19752 5928 1 9 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.621 -0.015 19752 5929 1 9 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.111 0.530 19752 5930 1 9 . 1 1 45 45 TRP H H 45 8.041 8.041 8.886 -0.845 19752 5931 1 9 . 1 1 46 46 TYR N N 46 122.938 122.938 120.566 2.372 19752 5932 1 9 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.021 0.317 19752 5933 1 9 . 1 1 46 46 TYR C C 46 173.663 173.663 173.653 0.010 19752 5934 1 9 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.085 1.222 19752 5935 1 9 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.140 1.985 19752 5936 1 9 . 1 1 46 46 TYR H H 46 10.329 10.329 9.626 0.703 19752 5937 1 9 . 1 1 47 47 LYS N N 47 118.986 118.986 119.076 -0.090 19752 5938 1 9 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.774 -0.003 19752 5939 1 9 . 1 1 47 47 LYS C C 47 172.462 172.462 173.824 -1.362 19752 5940 1 9 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.858 0.854 19752 5941 1 9 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.407 -0.289 19752 5942 1 9 . 1 1 47 47 LYS H H 47 8.923 8.923 9.243 -0.320 19752 5943 1 9 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.731 0.071 19752 5944 1 9 . 1 1 48 48 PRO C C 48 176.747 176.747 176.084 0.663 19752 5945 1 9 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.641 0.024 19752 5946 1 9 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.610 0.429 19752 5947 1 9 . 1 1 49 49 GLU N N 49 125.285 125.285 122.359 2.926 19752 5948 1 9 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.385 -0.397 19752 5949 1 9 . 1 1 49 49 GLU C C 49 170.927 170.927 174.453 -3.526 19752 5950 1 9 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.307 1.563 19752 5951 1 9 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.706 0.524 19752 5952 1 9 . 1 1 49 49 GLU H H 49 7.771 7.771 8.224 -0.453 19752 5953 1 9 . 1 1 50 50 ASN N N 50 122.328 122.328 125.014 -2.686 19752 5954 1 9 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.501 -0.103 19752 5955 1 9 . 1 1 50 50 ASN C C 50 173.648 173.648 173.733 -0.085 19752 5956 1 9 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.799 -1.113 19752 5957 1 9 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.577 0.069 19752 5958 1 9 . 1 1 50 50 ASN H H 50 8.148 8.148 8.549 -0.401 19752 5959 1 9 . 1 1 51 51 ALA N N 51 126.527 126.527 128.742 -2.215 19752 5960 1 9 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.462 -0.009 19752 5961 1 9 . 1 1 51 51 ALA C C 51 172.872 172.872 174.644 -1.772 19752 5962 1 9 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.838 0.759 19752 5963 1 9 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.306 -2.636 19752 5964 1 9 . 1 1 51 51 ALA H H 51 7.085 7.085 8.294 -1.209 19752 5965 1 9 . 1 1 52 52 THR N N 52 112.831 112.831 115.206 -2.375 19752 5966 1 9 . 1 1 52 52 THR HA H 52 5.167 5.167 4.828 0.339 19752 5967 1 9 . 1 1 52 52 THR C C 52 172.852 172.852 172.905 -0.053 19752 5968 1 9 . 1 1 52 52 THR CA C 52 62.232 62.232 61.822 0.409 19752 5969 1 9 . 1 1 52 52 THR CB C 52 71.068 71.068 70.311 0.757 19752 5970 1 9 . 1 1 52 52 THR H H 52 8.036 8.036 8.461 -0.425 19752 5971 1 9 . 1 1 53 53 PHE N N 53 127.883 127.883 128.817 -0.934 19752 5972 1 9 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.336 -0.013 19752 5973 1 9 . 1 1 53 53 PHE C C 53 172.928 172.928 173.120 -0.192 19752 5974 1 9 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.463 -0.188 19752 5975 1 9 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.315 0.890 19752 5976 1 9 . 1 1 53 53 PHE H H 53 9.714 9.714 9.483 0.231 19752 5977 1 9 . 1 1 54 54 VAL N N 54 127.284 127.284 128.788 -1.504 19752 5978 1 9 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.245 0.075 19752 5979 1 9 . 1 1 54 54 VAL C C 54 175.842 175.842 174.115 1.727 19752 5980 1 9 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.680 -0.528 19752 5981 1 9 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.849 -0.111 19752 5982 1 9 . 1 1 54 54 VAL H H 54 8.583 8.583 8.890 -0.307 19752 5983 1 9 . 1 1 55 55 ASN N N 55 125.723 125.723 125.341 0.382 19752 5984 1 9 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.250 -0.090 19752 5985 1 9 . 1 1 55 55 ASN C C 55 176.333 176.333 175.278 1.055 19752 5986 1 9 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.416 1.173 19752 5987 1 9 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.684 -1.039 19752 5988 1 9 . 1 1 55 55 ASN H H 55 8.970 8.970 8.446 0.524 19752 5989 1 9 . 1 1 56 56 GLY N N 56 114.389 114.389 113.133 1.256 19752 5990 1 9 . 1 1 56 56 GLY C C 56 173.882 173.882 174.538 -0.656 19752 5991 1 9 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.825 -1.149 19752 5992 1 9 . 1 1 56 56 GLY H H 56 8.360 8.360 8.131 0.229 19752 5993 1 9 . 1 1 57 57 ASN N N 57 115.511 115.511 119.651 -4.140 19752 5994 1 9 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.765 -0.254 19752 5995 1 9 . 1 1 57 57 ASN C C 57 174.741 174.741 174.991 -0.250 19752 5996 1 9 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.158 0.055 19752 5997 1 9 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.174 -1.545 19752 5998 1 9 . 1 1 57 57 ASN H H 57 8.149 8.149 8.308 -0.159 19752 5999 1 9 . 1 1 58 58 GLN N N 58 118.128 118.128 115.758 2.370 19752 6000 1 9 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.726 0.234 19752 6001 1 9 . 1 1 58 58 GLN C C 58 172.603 172.603 173.020 -0.417 19752 6002 1 9 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.128 -0.495 19752 6003 1 9 . 1 1 58 58 GLN CB C 58 30.568 30.568 30.084 0.484 19752 6004 1 9 . 1 1 58 58 GLN H H 58 7.702 7.702 7.803 -0.101 19752 6005 1 9 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.737 0.203 19752 6006 1 9 . 1 1 59 59 PRO C C 59 176.506 176.506 176.100 0.406 19752 6007 1 9 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.898 -0.642 19752 6008 1 9 . 1 1 59 59 PRO CB C 59 32.660 32.660 31.891 0.769 19752 6009 1 9 . 1 1 60 60 ILE N N 60 120.974 120.974 126.998 -6.024 19752 6010 1 9 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.234 0.040 19752 6011 1 9 . 1 1 60 60 ILE C C 60 175.190 175.190 175.227 -0.037 19752 6012 1 9 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.145 0.542 19752 6013 1 9 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.174 2.571 19752 6014 1 9 . 1 1 60 60 ILE H H 60 8.126 8.126 9.078 -0.952 19752 6015 1 9 . 1 1 61 61 VAL N N 61 128.224 128.224 125.010 3.214 19752 6016 1 9 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.888 -0.775 19752 6017 1 9 . 1 1 61 61 VAL C C 61 175.973 175.973 175.840 0.133 19752 6018 1 9 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.388 2.888 19752 6019 1 9 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.478 -0.548 19752 6020 1 9 . 1 1 61 61 VAL H H 61 8.421 8.421 8.483 -0.062 19752 6021 1 9 . 1 1 62 62 THR N N 62 118.454 118.454 117.703 0.751 19752 6022 1 9 . 1 1 62 62 THR HA H 62 5.021 5.021 4.861 0.160 19752 6023 1 9 . 1 1 62 62 THR C C 62 174.936 174.936 174.132 0.804 19752 6024 1 9 . 1 1 62 62 THR CA C 62 61.286 61.286 60.087 1.199 19752 6025 1 9 . 1 1 62 62 THR CB C 62 71.133 71.133 71.685 -0.552 19752 6026 1 9 . 1 1 62 62 THR H H 62 7.989 7.989 9.063 -1.074 19752 6027 1 9 . 1 1 63 63 ARG N N 63 118.225 118.225 119.081 -0.856 19752 6028 1 9 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.389 0.040 19752 6029 1 9 . 1 1 63 63 ARG C C 63 175.607 175.607 175.280 0.327 19752 6030 1 9 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.346 -0.699 19752 6031 1 9 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.932 0.671 19752 6032 1 9 . 1 1 63 63 ARG H H 63 9.336 9.336 9.069 0.267 19752 6033 1 9 . 1 1 64 64 ILE N N 64 119.746 119.746 122.940 -3.194 19752 6034 1 9 . 1 1 64 64 ILE HA H 64 4.465 4.465 3.978 0.487 19752 6035 1 9 . 1 1 64 64 ILE C C 64 179.206 179.206 176.909 2.297 19752 6036 1 9 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.876 -1.687 19752 6037 1 9 . 1 1 64 64 ILE CB C 64 38.248 38.248 37.948 0.300 19752 6038 1 9 . 1 1 64 64 ILE H H 64 8.741 8.741 8.707 0.034 19752 6039 1 9 . 1 1 65 65 GLY N N 65 116.059 116.059 116.000 0.059 19752 6040 1 9 . 1 1 65 65 GLY C C 65 174.185 174.185 173.670 0.515 19752 6041 1 9 . 1 1 65 65 GLY CA C 65 47.671 47.671 45.866 1.805 19752 6042 1 9 . 1 1 65 65 GLY H H 65 9.316 9.316 8.684 0.632 19752 6043 1 9 . 1 1 66 66 SER N N 66 114.840 114.840 114.538 0.302 19752 6044 1 9 . 1 1 66 66 SER HA H 66 4.160 4.160 4.118 0.042 19752 6045 1 9 . 1 1 66 66 SER C C 66 170.281 170.281 171.558 -1.277 19752 6046 1 9 . 1 1 66 66 SER CA C 66 56.207 56.207 55.466 0.741 19752 6047 1 9 . 1 1 66 66 SER CB C 66 63.737 63.737 65.202 -1.465 19752 6048 1 9 . 1 1 66 66 SER H H 66 7.412 7.412 7.602 -0.190 19752 6049 1 9 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.688 -1.049 19752 6050 1 9 . 1 1 67 67 PRO C C 67 170.030 170.030 174.033 -4.003 19752 6051 1 9 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.786 -2.116 19752 6052 1 9 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.109 -5.199 19752 6053 1 9 . 1 1 68 68 PHE N N 68 111.778 111.778 119.050 -7.272 19752 6054 1 9 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.435 0.058 19752 6055 1 9 . 1 1 68 68 PHE C C 68 177.055 177.055 175.265 1.790 19752 6056 1 9 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.780 -1.152 19752 6057 1 9 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.320 2.038 19752 6058 1 9 . 1 1 68 68 PHE H H 68 6.610 6.610 6.920 -0.310 19752 6059 1 9 . 1 1 69 69 LEU N N 69 119.491 119.491 121.876 -2.385 19752 6060 1 9 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.612 -0.299 19752 6061 1 9 . 1 1 69 69 LEU C C 69 176.326 176.326 178.115 -1.789 19752 6062 1 9 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.099 -0.868 19752 6063 1 9 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.560 -0.690 19752 6064 1 9 . 1 1 69 69 LEU H H 69 8.388 8.388 8.927 -0.539 19752 6065 1 9 . 1 1 70 70 ASN N N 70 112.229 112.229 116.451 -4.222 19752 6066 1 9 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.712 0.130 19752 6067 1 9 . 1 1 70 70 ASN C C 70 175.620 175.620 174.530 1.090 19752 6068 1 9 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.388 -0.720 19752 6069 1 9 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.006 0.647 19752 6070 1 9 . 1 1 70 70 ASN H H 70 7.675 7.675 8.374 -0.699 19752 6071 1 9 . 1 1 71 71 ALA N N 71 123.955 123.955 123.745 0.210 19752 6072 1 9 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.485 0.074 19752 6073 1 9 . 1 1 71 71 ALA C C 71 174.274 174.274 175.457 -1.183 19752 6074 1 9 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.441 1.030 19752 6075 1 9 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.460 -0.617 19752 6076 1 9 . 1 1 71 71 ALA H H 71 7.152 7.152 7.253 -0.101 19752 6077 1 9 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.303 0.110 19752 6078 1 9 . 1 1 72 72 PRO C C 72 176.342 176.342 175.609 0.733 19752 6079 1 9 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.743 -0.624 19752 6080 1 9 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.866 0.290 19752 6081 1 9 . 1 1 73 73 VAL N N 73 121.078 121.078 123.842 -2.764 19752 6082 1 9 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.826 -0.542 19752 6083 1 9 . 1 1 73 73 VAL C C 73 177.864 177.864 177.037 0.827 19752 6084 1 9 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.502 2.775 19752 6085 1 9 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.886 -2.162 19752 6086 1 9 . 1 1 73 73 VAL H H 73 8.328 8.328 8.088 0.240 19752 6087 1 9 . 1 1 74 74 GLY N N 74 114.118 114.118 110.821 3.297 19752 6088 1 9 . 1 1 74 74 GLY C C 74 173.963 173.963 173.854 0.109 19752 6089 1 9 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.846 -0.061 19752 6090 1 9 . 1 1 74 74 GLY H H 74 8.781 8.781 8.777 0.004 19752 6091 1 9 . 1 1 75 75 GLY N N 75 107.324 107.324 110.564 -3.240 19752 6092 1 9 . 1 1 75 75 GLY C C 75 173.460 173.460 172.313 1.147 19752 6093 1 9 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.706 -0.958 19752 6094 1 9 . 1 1 75 75 GLY H H 75 7.278 7.278 8.111 -0.833 19752 6095 1 9 . 1 1 76 76 ASN N N 76 119.682 119.682 123.340 -3.658 19752 6096 1 9 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.150 0.272 19752 6097 1 9 . 1 1 76 76 ASN C C 76 175.760 175.760 174.403 1.357 19752 6098 1 9 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.350 -0.073 19752 6099 1 9 . 1 1 76 76 ASN CB C 76 39.213 39.213 40.920 -1.707 19752 6100 1 9 . 1 1 76 76 ASN H H 76 8.797 8.797 8.364 0.433 19752 6101 1 9 . 1 1 77 77 LEU N N 77 129.545 129.545 129.266 0.279 19752 6102 1 9 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.966 -0.095 19752 6103 1 9 . 1 1 77 77 LEU C C 77 174.374 174.374 174.569 -0.195 19752 6104 1 9 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.191 1.023 19752 6105 1 9 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.755 -0.684 19752 6106 1 9 . 1 1 77 77 LEU H H 77 10.083 10.083 8.942 1.141 19752 6107 1 9 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.514 -0.185 19752 6108 1 9 . 1 1 78 78 PRO C C 78 177.553 177.553 175.857 1.696 19752 6109 1 9 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.088 0.493 19752 6110 1 9 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.842 -0.121 19752 6111 1 9 . 1 1 79 79 ALA N N 79 125.294 125.294 121.813 3.481 19752 6112 1 9 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.028 0.232 19752 6113 1 9 . 1 1 79 79 ALA C C 79 179.984 179.984 178.136 1.848 19752 6114 1 9 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.585 0.593 19752 6115 1 9 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.964 -0.718 19752 6116 1 9 . 1 1 79 79 ALA H H 79 8.585 8.585 8.112 0.473 19752 6117 1 9 . 1 1 80 80 GLY N N 80 110.970 110.970 110.640 0.330 19752 6118 1 9 . 1 1 80 80 GLY C C 80 173.499 173.499 173.892 -0.393 19752 6119 1 9 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.716 1.238 19752 6120 1 9 . 1 1 80 80 GLY H H 80 8.004 8.004 8.605 -0.601 19752 6121 1 9 . 1 1 81 81 ALA N N 81 122.249 122.249 123.657 -1.408 19752 6122 1 9 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.570 -0.319 19752 6123 1 9 . 1 1 81 81 ALA C C 81 175.709 175.709 176.135 -0.426 19752 6124 1 9 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.580 1.185 19752 6125 1 9 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.887 0.967 19752 6126 1 9 . 1 1 81 81 ALA H H 81 7.363 7.363 7.363 -0.000 19752 6127 1 9 . 1 1 82 82 THR N N 82 114.980 114.980 120.596 -5.616 19752 6128 1 9 . 1 1 82 82 THR HA H 82 5.171 5.171 4.818 0.353 19752 6129 1 9 . 1 1 82 82 THR C C 82 174.618 174.618 173.454 1.164 19752 6130 1 9 . 1 1 82 82 THR CA C 82 62.118 62.118 62.085 0.033 19752 6131 1 9 . 1 1 82 82 THR CB C 82 70.555 70.555 68.888 1.667 19752 6132 1 9 . 1 1 82 82 THR H H 82 8.181 8.181 8.472 -0.291 19752 6133 1 9 . 1 1 83 83 ILE N N 83 127.480 127.480 128.660 -1.180 19752 6134 1 9 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.493 -0.089 19752 6135 1 9 . 1 1 83 83 ILE C C 83 173.926 173.926 174.153 -0.227 19752 6136 1 9 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.705 -0.366 19752 6137 1 9 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.194 1.034 19752 6138 1 9 . 1 1 83 83 ILE H H 83 9.627 9.627 9.244 0.383 19752 6139 1 9 . 1 1 84 84 VAL N N 84 128.246 128.246 127.810 0.436 19752 6140 1 9 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.402 0.271 19752 6141 1 9 . 1 1 84 84 VAL C C 84 175.501 175.501 174.704 0.797 19752 6142 1 9 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.959 1.176 19752 6143 1 9 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.182 -1.526 19752 6144 1 9 . 1 1 84 84 VAL H H 84 8.059 8.059 8.694 -0.635 19752 6145 1 9 . 1 1 85 85 TYR N N 85 126.862 126.862 125.115 1.747 19752 6146 1 9 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.909 0.516 19752 6147 1 9 . 1 1 85 85 TYR C C 85 174.273 174.273 173.587 0.686 19752 6148 1 9 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.431 0.380 19752 6149 1 9 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.403 1.873 19752 6150 1 9 . 1 1 85 85 TYR H H 85 8.840 8.840 8.828 0.012 19752 6151 1 9 . 1 1 86 86 ASP N N 86 115.086 115.086 120.458 -5.372 19752 6152 1 9 . 1 1 86 86 ASP HA H 86 5.468 5.468 5.007 0.461 19752 6153 1 9 . 1 1 86 86 ASP C C 86 177.943 177.943 175.222 2.721 19752 6154 1 9 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.369 0.834 19752 6155 1 9 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.637 -0.062 19752 6156 1 9 . 1 1 86 86 ASP H H 86 8.843 8.843 8.873 -0.030 19752 6157 1 9 . 1 1 87 87 GLU N N 87 124.208 124.208 119.416 4.792 19752 6158 1 9 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.113 0.002 19752 6159 1 9 . 1 1 87 87 GLU C C 87 173.613 173.613 174.304 -0.691 19752 6160 1 9 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.410 0.362 19752 6161 1 9 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.622 1.885 19752 6162 1 9 . 1 1 87 87 GLU H H 87 8.121 8.121 7.936 0.185 19752 6163 1 9 . 1 1 88 88 VAL N N 88 121.754 121.754 125.572 -3.818 19752 6164 1 9 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.806 0.908 19752 6165 1 9 . 1 1 88 88 VAL C C 88 175.480 175.480 174.602 0.878 19752 6166 1 9 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.496 -0.726 19752 6167 1 9 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.260 1.384 19752 6168 1 9 . 1 1 88 88 VAL H H 88 8.822 8.822 9.237 -0.415 19752 6169 1 9 . 1 1 89 89 CYS N N 89 118.234 118.234 124.599 -6.365 19752 6170 1 9 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.162 0.137 19752 6171 1 9 . 1 1 89 89 CYS C C 89 174.126 174.126 173.465 0.661 19752 6172 1 9 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.995 0.090 19752 6173 1 9 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.742 1.362 19752 6174 1 9 . 1 1 89 89 CYS H H 89 9.404 9.404 9.667 -0.263 19752 6175 1 9 . 1 1 90 90 ILE N N 90 122.085 122.085 123.029 -0.944 19752 6176 1 9 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.549 0.684 19752 6177 1 9 . 1 1 90 90 ILE C C 90 176.210 176.210 174.471 1.739 19752 6178 1 9 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.901 0.658 19752 6179 1 9 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.333 2.156 19752 6180 1 9 . 1 1 90 90 ILE H H 90 9.773 9.773 9.442 0.331 19752 6181 1 9 . 1 1 91 91 GLN N N 91 125.884 125.884 128.656 -2.772 19752 6182 1 9 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.888 -0.269 19752 6183 1 9 . 1 1 91 91 GLN C C 91 176.019 176.019 174.493 1.526 19752 6184 1 9 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.328 1.894 19752 6185 1 9 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.837 -0.644 19752 6186 1 9 . 1 1 91 91 GLN H H 91 8.910 8.910 8.458 0.452 19752 6187 1 9 . 1 1 92 92 ALA N N 92 131.300 131.300 131.045 0.255 19752 6188 1 9 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.128 0.396 19752 6189 1 9 . 1 1 92 92 ALA C C 92 178.514 178.514 177.470 1.044 19752 6190 1 9 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.754 -0.288 19752 6191 1 9 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.167 0.102 19752 6192 1 9 . 1 1 92 92 ALA H H 92 9.888 9.888 9.075 0.813 19752 6193 1 9 . 1 1 93 93 GLY N N 93 107.622 107.622 113.546 -5.924 19752 6194 1 9 . 1 1 93 93 GLY C C 93 174.796 174.796 173.425 1.371 19752 6195 1 9 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.233 1.237 19752 6196 1 9 . 1 1 93 93 GLY H H 93 9.675 9.675 8.436 1.239 19752 6197 1 9 . 1 1 94 94 HIS N N 94 118.233 118.233 119.347 -1.114 19752 6198 1 9 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.126 -0.300 19752 6199 1 9 . 1 1 94 94 HIS C C 94 173.575 173.575 172.539 1.036 19752 6200 1 9 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.852 0.368 19752 6201 1 9 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.050 -2.317 19752 6202 1 9 . 1 1 94 94 HIS H H 94 8.337 8.337 8.413 -0.076 19752 6203 1 9 . 1 1 95 95 ILE N N 95 118.964 118.964 120.888 -1.924 19752 6204 1 9 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.388 0.823 19752 6205 1 9 . 1 1 95 95 ILE C C 95 174.555 174.555 173.621 0.934 19752 6206 1 9 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.050 0.932 19752 6207 1 9 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.147 -1.364 19752 6208 1 9 . 1 1 95 95 ILE H H 95 8.116 8.116 7.874 0.242 19752 6209 1 9 . 1 1 96 96 TRP N N 96 127.092 127.092 129.019 -1.927 19752 6210 1 9 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.721 -0.244 19752 6211 1 9 . 1 1 96 96 TRP C C 96 176.216 176.216 176.812 -0.596 19752 6212 1 9 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.771 -0.528 19752 6213 1 9 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.694 0.074 19752 6214 1 9 . 1 1 96 96 TRP H H 96 9.869 9.869 9.307 0.562 19752 6215 1 9 . 1 1 97 97 ILE N N 97 113.283 113.283 120.348 -7.065 19752 6216 1 9 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.082 0.390 19752 6217 1 9 . 1 1 97 97 ILE C C 97 175.278 175.278 175.497 -0.219 19752 6218 1 9 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.291 -0.107 19752 6219 1 9 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.160 0.489 19752 6220 1 9 . 1 1 97 97 ILE H H 97 8.893 8.893 9.140 -0.247 19752 6221 1 9 . 1 1 98 98 GLY N N 98 109.684 109.684 114.270 -4.586 19752 6222 1 9 . 1 1 98 98 GLY C C 98 172.048 172.048 172.645 -0.597 19752 6223 1 9 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.760 1.360 19752 6224 1 9 . 1 1 98 98 GLY H H 98 9.043 9.043 9.147 -0.104 19752 6225 1 9 . 1 1 99 99 TYR N N 99 117.809 117.809 123.025 -5.216 19752 6226 1 9 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.931 -0.023 19752 6227 1 9 . 1 1 99 99 TYR C C 99 172.626 172.626 173.212 -0.586 19752 6228 1 9 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.932 1.327 19752 6229 1 9 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.820 -0.673 19752 6230 1 9 . 1 1 99 99 TYR H H 99 8.434 8.434 8.700 -0.266 19752 6231 1 9 . 1 1 100 100 ASN N N 100 117.139 117.139 119.431 -2.292 19752 6232 1 9 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.311 -0.025 19752 6233 1 9 . 1 1 100 100 ASN C C 100 175.315 175.315 174.796 0.519 19752 6234 1 9 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.346 -0.360 19752 6235 1 9 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.984 -1.609 19752 6236 1 9 . 1 1 100 100 ASN H H 100 8.844 8.844 8.695 0.149 19752 6237 1 9 . 1 1 101 101 ALA N N 101 126.218 126.218 126.307 -0.089 19752 6238 1 9 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.769 -0.132 19752 6239 1 9 . 1 1 101 101 ALA C C 101 179.095 179.095 178.960 0.135 19752 6240 1 9 . 1 1 101 101 ALA CA C 101 51.212 51.212 51.157 0.055 19752 6241 1 9 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.168 0.475 19752 6242 1 9 . 1 1 101 101 ALA H H 101 8.870 8.870 8.853 0.017 19752 6243 1 9 . 1 1 102 102 TYR N N 102 121.067 121.067 118.138 2.929 19752 6244 1 9 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.261 0.078 19752 6245 1 9 . 1 1 102 102 TYR C C 102 175.986 175.986 175.478 0.508 19752 6246 1 9 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.283 -0.139 19752 6247 1 9 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.844 -0.191 19752 6248 1 9 . 1 1 102 102 TYR H H 102 8.720 8.720 8.821 -0.101 19752 6249 1 9 . 1 1 103 103 ASN N N 103 115.289 115.289 115.604 -0.315 19752 6250 1 9 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.556 -0.144 19752 6251 1 9 . 1 1 103 103 ASN C C 103 175.963 175.963 175.894 0.069 19752 6252 1 9 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.118 0.128 19752 6253 1 9 . 1 1 103 103 ASN CB C 103 37.245 37.245 37.910 -0.665 19752 6254 1 9 . 1 1 103 103 ASN H H 103 7.490 7.490 7.434 0.056 19752 6255 1 9 . 1 1 104 104 GLY N N 104 107.204 107.204 109.299 -2.095 19752 6256 1 9 . 1 1 104 104 GLY C C 104 174.620 174.620 173.964 0.656 19752 6257 1 9 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.596 -0.468 19752 6258 1 9 . 1 1 104 104 GLY H H 104 8.020 8.020 8.046 -0.026 19752 6259 1 9 . 1 1 105 105 ASN N N 105 118.581 118.581 119.247 -0.666 19752 6260 1 9 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.553 0.023 19752 6261 1 9 . 1 1 105 105 ASN C C 105 173.805 173.805 174.094 -0.289 19752 6262 1 9 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.403 0.627 19752 6263 1 9 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.834 -0.850 19752 6264 1 9 . 1 1 105 105 ASN H H 105 7.703 7.703 7.717 -0.014 19752 6265 1 9 . 1 1 106 106 ARG N N 106 123.191 123.191 126.815 -3.624 19752 6266 1 9 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.609 -0.045 19752 6267 1 9 . 1 1 106 106 ARG C C 106 174.360 174.360 174.895 -0.535 19752 6268 1 9 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.067 -0.405 19752 6269 1 9 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.722 0.885 19752 6270 1 9 . 1 1 106 106 ARG H H 106 8.635 8.635 8.628 0.007 19752 6271 1 9 . 1 1 107 107 VAL N N 107 128.482 128.482 125.332 3.150 19752 6272 1 9 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.323 0.230 19752 6273 1 9 . 1 1 107 107 VAL C C 107 172.290 172.290 173.987 -1.697 19752 6274 1 9 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.120 0.564 19752 6275 1 9 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.826 0.651 19752 6276 1 9 . 1 1 107 107 VAL H H 107 8.668 8.668 8.358 0.310 19752 6277 1 9 . 1 1 108 108 TYR N N 108 119.055 119.055 123.218 -4.163 19752 6278 1 9 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.631 -0.138 19752 6279 1 9 . 1 1 108 108 TYR C C 108 175.215 175.215 175.314 -0.099 19752 6280 1 9 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.244 0.328 19752 6281 1 9 . 1 1 108 108 TYR CB C 108 42.435 42.435 40.867 1.568 19752 6282 1 9 . 1 1 108 108 TYR H H 108 8.944 8.944 9.305 -0.361 19752 6283 1 9 . 1 1 109 109 CYS N N 109 124.377 124.377 122.693 1.684 19752 6284 1 9 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.109 0.336 19752 6285 1 9 . 1 1 109 109 CYS C C 109 171.899 171.899 173.680 -1.781 19752 6286 1 9 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.743 -1.578 19752 6287 1 9 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.108 -1.305 19752 6288 1 9 . 1 1 109 109 CYS H H 109 9.675 9.675 9.051 0.624 19752 6289 1 9 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.324 0.855 19752 6290 1 9 . 1 1 110 110 PRO C C 110 175.490 175.490 177.098 -1.608 19752 6291 1 9 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.186 -1.588 19752 6292 1 9 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.005 -1.549 19752 6293 1 9 . 1 1 111 111 VAL N N 111 109.293 109.293 112.226 -2.933 19752 6294 1 9 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.565 0.844 19752 6295 1 9 . 1 1 111 111 VAL C C 111 173.598 173.598 174.351 -0.753 19752 6296 1 9 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.122 -4.029 19752 6297 1 9 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.252 3.269 19752 6298 1 9 . 1 1 111 111 VAL H H 111 8.382 8.382 7.499 0.883 19752 6299 1 9 . 1 1 112 112 ARG N N 112 110.825 110.825 115.402 -4.577 19752 6300 1 9 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.690 -1.532 19752 6301 1 9 . 1 1 112 112 ARG C C 112 175.480 175.480 175.091 0.389 19752 6302 1 9 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.916 0.533 19752 6303 1 9 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.408 -1.262 19752 6304 1 9 . 1 1 112 112 ARG H H 112 6.735 6.735 7.994 -1.259 19752 6305 1 9 . 1 1 113 113 THR N N 113 111.002 111.002 118.700 -7.698 19752 6306 1 9 . 1 1 113 113 THR HA H 113 4.238 4.238 4.118 0.120 19752 6307 1 9 . 1 1 113 113 THR C C 113 174.123 174.123 173.820 0.303 19752 6308 1 9 . 1 1 113 113 THR CA C 113 62.468 62.468 64.587 -2.119 19752 6309 1 9 . 1 1 113 113 THR CB C 113 70.502 70.502 69.032 1.470 19752 6310 1 9 . 1 1 113 113 THR H H 113 8.898 8.898 7.790 1.108 19752 6311 1 9 . 1 1 114 114 CYS N N 114 119.522 119.522 125.277 -5.755 19752 6312 1 9 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.580 -1.065 19752 6313 1 9 . 1 1 114 114 CYS C C 114 172.669 172.669 173.252 -0.583 19752 6314 1 9 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.707 1.910 19752 6315 1 9 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.442 -1.897 19752 6316 1 9 . 1 1 114 114 CYS H H 114 7.936 7.936 8.178 -0.242 19752 6317 1 9 . 1 1 115 115 GLN N N 115 129.342 129.342 121.984 7.358 19752 6318 1 9 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.790 -0.162 19752 6319 1 9 . 1 1 115 115 GLN C C 115 175.456 175.456 175.641 -0.185 19752 6320 1 9 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.265 -0.023 19752 6321 1 9 . 1 1 115 115 GLN CB C 115 31.176 31.176 32.264 -1.088 19752 6322 1 9 . 1 1 115 115 GLN H H 115 7.963 7.963 8.413 -0.450 19752 6323 1 9 . 1 1 116 116 GLY N N 116 112.311 112.311 108.623 3.688 19752 6324 1 9 . 1 1 116 116 GLY C C 116 171.907 171.907 172.205 -0.298 19752 6325 1 9 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.953 -0.736 19752 6326 1 9 . 1 1 116 116 GLY H H 116 8.591 8.591 8.257 0.334 19752 6327 1 9 . 1 1 117 117 VAL N N 117 110.113 110.113 119.884 -9.771 19752 6328 1 9 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.273 -0.135 19752 6329 1 9 . 1 1 117 117 VAL C C 117 171.857 171.857 173.521 -1.664 19752 6330 1 9 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.456 -0.499 19752 6331 1 9 . 1 1 117 117 VAL CB C 117 32.549 32.549 35.030 -2.481 19752 6332 1 9 . 1 1 117 117 VAL H H 117 7.745 7.745 7.806 -0.061 19752 6333 1 9 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.979 0.517 19752 6334 1 9 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.350 -0.860 19752 6335 1 9 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.857 -1.097 19752 6336 1 9 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.100 0.276 19752 6337 1 9 . 1 1 119 119 PRO C C 119 176.006 176.006 176.389 -0.383 19752 6338 1 9 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.678 0.478 19752 6339 1 9 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.430 1.605 19752 6340 1 9 . 1 1 120 120 ASN N N 120 124.472 124.472 119.527 4.945 19752 6341 1 9 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.496 0.408 19752 6342 1 9 . 1 1 120 120 ASN C C 120 172.963 172.963 173.840 -0.877 19752 6343 1 9 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.351 0.764 19752 6344 1 9 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.427 0.800 19752 6345 1 9 . 1 1 120 120 ASN H H 120 8.414 8.414 7.664 0.750 19752 6346 1 9 . 1 1 121 121 HIS N N 121 120.276 120.276 121.468 -1.192 19752 6347 1 9 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.118 -0.691 19752 6348 1 9 . 1 1 121 121 HIS C C 121 174.788 174.788 174.366 0.422 19752 6349 1 9 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.220 2.480 19752 6350 1 9 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.329 -0.621 19752 6351 1 9 . 1 1 121 121 HIS H H 121 8.591 8.591 7.720 0.871 19752 6352 1 9 . 1 1 122 122 ILE N N 122 120.474 120.474 124.059 -3.585 19752 6353 1 9 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.431 -0.086 19752 6354 1 9 . 1 1 122 122 ILE C C 122 174.718 174.718 173.984 0.734 19752 6355 1 9 . 1 1 122 122 ILE CA C 122 58.130 58.130 56.723 1.407 19752 6356 1 9 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.002 2.768 19752 6357 1 9 . 1 1 122 122 ILE H H 122 8.883 8.883 9.136 -0.253 19752 6358 1 9 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.926 -0.430 19752 6359 1 9 . 1 1 123 123 PRO C C 123 177.104 177.104 176.483 0.621 19752 6360 1 9 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.860 0.747 19752 6361 1 9 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.192 0.337 19752 6362 1 9 . 1 1 124 124 GLY N N 124 111.030 111.030 112.467 -1.437 19752 6363 1 9 . 1 1 124 124 GLY C C 124 173.906 173.906 173.345 0.561 19752 6364 1 9 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.385 -1.268 19752 6365 1 9 . 1 1 124 124 GLY H H 124 8.553 8.553 8.701 -0.148 19752 6366 1 9 . 1 1 125 125 VAL N N 125 121.916 121.916 121.656 0.260 19752 6367 1 9 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.904 0.016 19752 6368 1 9 . 1 1 125 125 VAL C C 125 176.148 176.148 174.745 1.403 19752 6369 1 9 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.238 1.400 19752 6370 1 9 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.630 -0.512 19752 6371 1 9 . 1 1 125 125 VAL H H 125 8.493 8.493 8.112 0.381 19752 6372 1 9 . 1 1 126 126 ALA N N 126 127.872 127.872 128.817 -0.945 19752 6373 1 9 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.542 -0.052 19752 6374 1 9 . 1 1 126 126 ALA C C 126 179.447 179.447 177.071 2.376 19752 6375 1 9 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.791 1.878 19752 6376 1 9 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.511 0.117 19752 6377 1 9 . 1 1 126 126 ALA H H 126 8.835 8.835 8.148 0.687 19752 6378 1 9 . 1 1 127 127 TRP N N 127 121.928 121.928 123.727 -1.799 19752 6379 1 9 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.917 0.196 19752 6380 1 9 . 1 1 127 127 TRP C C 127 174.684 174.684 175.174 -0.490 19752 6381 1 9 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.369 -0.740 19752 6382 1 9 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.453 -2.299 19752 6383 1 9 . 1 1 127 127 TRP H H 127 8.555 8.555 8.917 -0.362 19752 6384 1 9 . 1 1 128 128 GLY N N 128 103.981 103.981 105.703 -1.722 19752 6385 1 9 . 1 1 128 128 GLY C C 128 171.694 171.694 172.386 -0.692 19752 6386 1 9 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.807 0.882 19752 6387 1 9 . 1 1 128 128 GLY H H 128 7.280 7.280 7.623 -0.343 19752 6388 1 9 . 1 1 129 129 VAL N N 129 119.078 119.078 120.805 -1.727 19752 6389 1 9 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.415 -0.072 19752 6390 1 9 . 1 1 129 129 VAL C C 129 173.255 173.255 174.706 -1.451 19752 6391 1 9 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.958 -0.297 19752 6392 1 9 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.996 1.555 19752 6393 1 9 . 1 1 129 129 VAL H H 129 8.274 8.274 8.313 -0.039 19752 6394 1 9 . 1 1 130 130 PHE N N 130 122.633 122.633 127.451 -4.818 19752 6395 1 9 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.427 0.117 19752 6396 1 9 . 1 1 130 130 PHE C C 130 175.771 175.771 175.820 -0.049 19752 6397 1 9 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.609 -0.433 19752 6398 1 9 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.822 -0.152 19752 6399 1 9 . 1 1 130 130 PHE H H 130 8.464 8.464 8.774 -0.310 19752 6400 1 10 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.929 -0.163 19752 6401 1 10 . 1 1 2 2 ASN C C 2 174.930 174.930 173.835 1.095 19752 6402 1 10 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.261 -0.052 19752 6403 1 10 . 1 1 2 2 ASN CB C 2 39.213 39.213 37.850 1.363 19752 6404 1 10 . 1 1 3 3 ALA N N 3 124.643 124.643 125.061 -0.418 19752 6405 1 10 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.435 -0.171 19752 6406 1 10 . 1 1 3 3 ALA C C 3 177.790 177.790 175.556 2.234 19752 6407 1 10 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.983 0.854 19752 6408 1 10 . 1 1 3 3 ALA CB C 3 19.240 19.240 20.793 -1.553 19752 6409 1 10 . 1 1 3 3 ALA H H 3 8.386 8.386 7.809 0.577 19752 6410 1 10 . 1 1 4 4 LYS N N 4 120.203 120.203 123.427 -3.224 19752 6411 1 10 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.388 -0.165 19752 6412 1 10 . 1 1 4 4 LYS C C 4 176.230 176.230 176.991 -0.761 19752 6413 1 10 . 1 1 4 4 LYS CA C 4 56.534 56.534 55.646 0.888 19752 6414 1 10 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.542 0.269 19752 6415 1 10 . 1 1 4 4 LYS H H 4 8.300 8.300 8.510 -0.210 19752 6416 1 10 . 1 1 5 5 ASN N N 5 119.229 119.229 121.996 -2.767 19752 6417 1 10 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.490 0.178 19752 6418 1 10 . 1 1 5 5 ASN C C 5 175.033 175.033 174.469 0.564 19752 6419 1 10 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.398 -0.273 19752 6420 1 10 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.830 -0.053 19752 6421 1 10 . 1 1 5 5 ASN H H 5 8.320 8.320 8.850 -0.530 19752 6422 1 10 . 1 1 6 6 TYR N N 6 120.593 120.593 123.935 -3.342 19752 6423 1 10 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.495 0.015 19752 6424 1 10 . 1 1 6 6 TYR C C 6 175.554 175.554 175.057 0.497 19752 6425 1 10 . 1 1 6 6 TYR CA C 6 58.213 58.213 58.454 -0.241 19752 6426 1 10 . 1 1 6 6 TYR CB C 6 38.601 38.601 38.282 0.319 19752 6427 1 10 . 1 1 6 6 TYR H H 6 8.087 8.087 8.588 -0.501 19752 6428 1 10 . 1 1 7 7 MET N N 7 121.477 121.477 126.662 -5.185 19752 6429 1 10 . 1 1 7 7 MET HA H 7 4.391 4.391 4.682 -0.291 19752 6430 1 10 . 1 1 7 7 MET C C 7 175.609 175.609 173.936 1.673 19752 6431 1 10 . 1 1 7 7 MET CA C 7 55.494 55.494 55.371 0.123 19752 6432 1 10 . 1 1 7 7 MET CB C 7 32.970 32.970 33.462 -0.492 19752 6433 1 10 . 1 1 7 7 MET H H 7 8.121 8.121 8.184 -0.063 19752 6434 1 10 . 1 1 8 8 ASP N N 8 121.704 121.704 123.242 -1.538 19752 6435 1 10 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.725 -0.170 19752 6436 1 10 . 1 1 8 8 ASP C C 8 176.344 176.344 173.932 2.412 19752 6437 1 10 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.326 0.145 19752 6438 1 10 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.577 -0.255 19752 6439 1 10 . 1 1 8 8 ASP H H 8 8.189 8.189 8.119 0.070 19752 6440 1 10 . 1 1 9 9 LYS N N 9 122.168 122.168 122.816 -0.648 19752 6441 1 10 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.363 -0.056 19752 6442 1 10 . 1 1 9 9 LYS C C 9 177.267 177.267 174.762 2.505 19752 6443 1 10 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.491 0.131 19752 6444 1 10 . 1 1 9 9 LYS CB C 9 32.765 32.765 33.549 -0.784 19752 6445 1 10 . 1 1 9 9 LYS H H 9 8.335 8.335 8.029 0.306 19752 6446 1 10 . 1 1 10 10 GLY N N 10 109.505 109.505 110.869 -1.364 19752 6447 1 10 . 1 1 10 10 GLY C C 10 174.568 174.568 174.455 0.113 19752 6448 1 10 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.937 0.646 19752 6449 1 10 . 1 1 10 10 GLY H H 10 8.497 8.497 8.089 0.408 19752 6450 1 10 . 1 1 11 11 THR N N 11 113.312 113.312 117.756 -4.444 19752 6451 1 10 . 1 1 11 11 THR HA H 11 4.396 4.396 4.526 -0.130 19752 6452 1 10 . 1 1 11 11 THR C C 11 174.719 174.719 174.603 0.116 19752 6453 1 10 . 1 1 11 11 THR CA C 11 61.779 61.779 61.805 -0.026 19752 6454 1 10 . 1 1 11 11 THR CB C 11 69.963 69.963 69.191 0.772 19752 6455 1 10 . 1 1 11 11 THR H H 11 8.081 8.081 8.307 -0.226 19752 6456 1 10 . 1 1 12 12 SER N N 12 118.272 118.272 117.369 0.903 19752 6457 1 10 . 1 1 12 12 SER HA H 12 4.499 4.499 4.575 -0.076 19752 6458 1 10 . 1 1 12 12 SER C C 12 174.766 174.766 173.994 0.772 19752 6459 1 10 . 1 1 12 12 SER CA C 12 58.432 58.432 59.013 -0.581 19752 6460 1 10 . 1 1 12 12 SER CB C 12 63.986 63.986 64.045 -0.059 19752 6461 1 10 . 1 1 12 12 SER H H 12 8.413 8.413 8.471 -0.058 19752 6462 1 10 . 1 1 13 13 SER N N 13 118.106 118.106 117.022 1.084 19752 6463 1 10 . 1 1 13 13 SER HA H 13 4.518 4.518 4.580 -0.062 19752 6464 1 10 . 1 1 13 13 SER C C 13 174.674 174.674 173.533 1.141 19752 6465 1 10 . 1 1 13 13 SER CA C 13 58.607 58.607 57.420 1.187 19752 6466 1 10 . 1 1 13 13 SER CB C 13 63.869 63.869 64.047 -0.178 19752 6467 1 10 . 1 1 13 13 SER H H 13 8.414 8.414 8.069 0.345 19752 6468 1 10 . 1 1 14 14 SER N N 14 117.724 117.724 123.760 -6.036 19752 6469 1 10 . 1 1 14 14 SER HA H 14 4.535 4.535 4.540 -0.005 19752 6470 1 10 . 1 1 14 14 SER C C 14 174.743 174.743 174.105 0.638 19752 6471 1 10 . 1 1 14 14 SER CA C 14 58.630 58.630 58.354 0.276 19752 6472 1 10 . 1 1 14 14 SER CB C 14 63.798 63.798 63.031 0.767 19752 6473 1 10 . 1 1 14 14 SER H H 14 8.379 8.379 8.770 -0.391 19752 6474 1 10 . 1 1 15 15 THR N N 15 116.549 116.549 117.384 -0.835 19752 6475 1 10 . 1 1 15 15 THR HA H 15 4.336 4.336 4.175 0.161 19752 6476 1 10 . 1 1 15 15 THR C C 15 174.310 174.310 174.751 -0.441 19752 6477 1 10 . 1 1 15 15 THR CA C 15 62.161 62.161 62.410 -0.249 19752 6478 1 10 . 1 1 15 15 THR CB C 15 69.603 69.603 69.256 0.347 19752 6479 1 10 . 1 1 15 15 THR H H 15 8.195 8.195 8.032 0.163 19752 6480 1 10 . 1 1 16 16 VAL N N 16 123.406 123.406 119.726 3.680 19752 6481 1 10 . 1 1 16 16 VAL HA H 16 4.102 4.102 3.939 0.163 19752 6482 1 10 . 1 1 16 16 VAL C C 16 175.934 175.934 175.929 0.005 19752 6483 1 10 . 1 1 16 16 VAL CA C 16 62.512 62.512 63.973 -1.461 19752 6484 1 10 . 1 1 16 16 VAL CB C 16 32.738 32.738 31.883 0.855 19752 6485 1 10 . 1 1 16 16 VAL H H 16 8.121 8.121 8.355 -0.234 19752 6486 1 10 . 1 1 17 17 VAL N N 17 125.445 125.445 117.954 7.491 19752 6487 1 10 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.868 0.217 19752 6488 1 10 . 1 1 17 17 VAL C C 17 176.102 176.102 175.193 0.909 19752 6489 1 10 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.114 0.165 19752 6490 1 10 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.194 1.483 19752 6491 1 10 . 1 1 17 17 VAL H H 17 8.293 8.293 7.653 0.640 19752 6492 1 10 . 1 1 18 18 LYS N N 18 126.281 126.281 126.087 0.194 19752 6493 1 10 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.361 -0.019 19752 6494 1 10 . 1 1 18 18 LYS C C 18 176.138 176.138 175.345 0.793 19752 6495 1 10 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.421 -0.216 19752 6496 1 10 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.175 1.971 19752 6497 1 10 . 1 1 18 18 LYS H H 18 8.478 8.478 8.410 0.068 19752 6498 1 10 . 1 1 19 19 ASP N N 19 121.904 121.904 122.829 -0.925 19752 6499 1 10 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.754 -0.190 19752 6500 1 10 . 1 1 19 19 ASP C C 19 176.698 176.698 175.615 1.083 19752 6501 1 10 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.156 0.229 19752 6502 1 10 . 1 1 19 19 ASP CB C 19 41.223 41.223 43.045 -1.823 19752 6503 1 10 . 1 1 19 19 ASP H H 19 8.379 8.379 7.936 0.443 19752 6504 1 10 . 1 1 20 20 GLY N N 20 109.177 109.177 110.718 -1.541 19752 6505 1 10 . 1 1 20 20 GLY C C 20 174.374 174.374 174.993 -0.619 19752 6506 1 10 . 1 1 20 20 GLY CA C 20 45.638 45.638 46.004 -0.366 19752 6507 1 10 . 1 1 20 20 GLY H H 20 8.390 8.390 8.527 -0.137 19752 6508 1 10 . 1 1 21 21 LYS N N 21 120.814 120.814 121.408 -0.594 19752 6509 1 10 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.663 -0.274 19752 6510 1 10 . 1 1 21 21 LYS C C 21 177.041 177.041 175.761 1.280 19752 6511 1 10 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.337 0.239 19752 6512 1 10 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.652 0.438 19752 6513 1 10 . 1 1 21 21 LYS H H 21 8.229 8.229 7.829 0.400 19752 6514 1 10 . 1 1 22 22 THR N N 22 115.105 115.105 116.525 -1.420 19752 6515 1 10 . 1 1 22 22 THR HA H 22 4.393 4.393 4.460 -0.067 19752 6516 1 10 . 1 1 22 22 THR C C 22 174.607 174.607 174.804 -0.197 19752 6517 1 10 . 1 1 22 22 THR CA C 22 61.880 61.880 63.025 -1.145 19752 6518 1 10 . 1 1 22 22 THR CB C 22 69.736 69.736 69.713 0.022 19752 6519 1 10 . 1 1 22 22 THR H H 22 8.237 8.237 9.044 -0.807 19752 6520 1 10 . 1 1 24 24 SER HA H 24 4.486 4.486 4.529 -0.043 19752 6521 1 10 . 1 1 24 24 SER C C 24 174.299 174.299 174.363 -0.064 19752 6522 1 10 . 1 1 24 24 SER CA C 24 58.547 58.547 58.573 -0.026 19752 6523 1 10 . 1 1 24 24 SER CB C 24 63.787 63.787 63.554 0.232 19752 6524 1 10 . 1 1 25 25 ALA N N 25 125.891 125.891 130.347 -4.456 19752 6525 1 10 . 1 1 25 25 ALA HA H 25 4.376 4.376 3.901 0.475 19752 6526 1 10 . 1 1 25 25 ALA C C 25 177.660 177.660 176.430 1.230 19752 6527 1 10 . 1 1 25 25 ALA CA C 25 52.629 52.629 53.492 -0.863 19752 6528 1 10 . 1 1 25 25 ALA CB C 25 19.291 19.291 17.538 1.752 19752 6529 1 10 . 1 1 25 25 ALA H H 25 8.328 8.328 8.825 -0.497 19752 6530 1 10 . 1 1 26 26 SER N N 26 115.155 115.155 115.462 -0.307 19752 6531 1 10 . 1 1 26 26 SER HA H 26 4.486 4.486 4.643 -0.157 19752 6532 1 10 . 1 1 26 26 SER C C 26 174.291 174.291 173.176 1.115 19752 6533 1 10 . 1 1 26 26 SER CA C 26 58.237 58.237 57.798 0.438 19752 6534 1 10 . 1 1 26 26 SER CB C 26 63.917 63.917 64.842 -0.925 19752 6535 1 10 . 1 1 26 26 SER H H 26 8.267 8.267 8.055 0.212 19752 6536 1 10 . 1 1 27 27 THR N N 27 118.324 118.324 119.546 -1.222 19752 6537 1 10 . 1 1 27 27 THR HA H 27 4.627 4.627 4.857 -0.230 19752 6538 1 10 . 1 1 27 27 THR C C 27 172.782 172.782 173.771 -0.989 19752 6539 1 10 . 1 1 27 27 THR CA C 27 59.748 59.748 59.188 0.560 19752 6540 1 10 . 1 1 27 27 THR CB C 27 69.702 69.702 68.109 1.594 19752 6541 1 10 . 1 1 27 27 THR H H 27 8.164 8.164 8.360 -0.196 19752 6542 1 10 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.286 0.117 19752 6543 1 10 . 1 1 28 28 PRO C C 28 176.630 176.630 177.742 -1.112 19752 6544 1 10 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.577 -0.327 19752 6545 1 10 . 1 1 28 28 PRO CB C 28 32.165 32.165 32.172 -0.007 19752 6546 1 10 . 1 1 29 29 ALA N N 29 124.263 124.263 118.992 5.271 19752 6547 1 10 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.996 0.353 19752 6548 1 10 . 1 1 29 29 ALA C C 29 177.974 177.974 177.203 0.771 19752 6549 1 10 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.374 -0.719 19752 6550 1 10 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.276 2.001 19752 6551 1 10 . 1 1 29 29 ALA H H 29 8.432 8.432 8.345 0.087 19752 6552 1 10 . 1 1 30 30 THR N N 30 113.368 113.368 107.489 5.879 19752 6553 1 10 . 1 1 30 30 THR HA H 30 4.281 4.281 3.761 0.520 19752 6554 1 10 . 1 1 30 30 THR C C 30 174.257 174.257 175.192 -0.935 19752 6555 1 10 . 1 1 30 30 THR CA C 30 61.656 61.656 63.466 -1.810 19752 6556 1 10 . 1 1 30 30 THR CB C 30 69.801 69.801 67.517 2.284 19752 6557 1 10 . 1 1 30 30 THR H H 30 8.106 8.106 8.244 -0.138 19752 6558 1 10 . 1 1 31 31 ARG N N 31 124.700 124.700 120.081 4.619 19752 6559 1 10 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.419 0.231 19752 6560 1 10 . 1 1 31 31 ARG C C 31 174.094 174.094 174.656 -0.562 19752 6561 1 10 . 1 1 31 31 ARG CA C 31 54.051 54.051 59.849 -5.798 19752 6562 1 10 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.543 0.831 19752 6563 1 10 . 1 1 31 31 ARG H H 31 8.318 8.318 8.122 0.196 19752 6564 1 10 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.660 -0.161 19752 6565 1 10 . 1 1 32 32 PRO C C 32 177.065 177.065 176.190 0.875 19752 6566 1 10 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.388 0.672 19752 6567 1 10 . 1 1 32 32 PRO CB C 32 32.157 32.157 32.482 -0.325 19752 6568 1 10 . 1 1 33 33 VAL N N 33 120.890 120.890 122.638 -1.748 19752 6569 1 10 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.057 0.151 19752 6570 1 10 . 1 1 33 33 VAL C C 33 176.668 176.668 176.232 0.436 19752 6571 1 10 . 1 1 33 33 VAL CA C 33 62.608 62.608 63.866 -1.258 19752 6572 1 10 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.114 0.633 19752 6573 1 10 . 1 1 33 33 VAL H H 33 8.447 8.447 8.838 -0.391 19752 6574 1 10 . 1 1 34 34 THR N N 34 116.709 116.709 113.725 2.984 19752 6575 1 10 . 1 1 34 34 THR HA H 34 4.377 4.377 4.397 -0.021 19752 6576 1 10 . 1 1 34 34 THR C C 34 174.791 174.791 175.128 -0.337 19752 6577 1 10 . 1 1 34 34 THR CA C 34 61.700 61.700 61.521 0.179 19752 6578 1 10 . 1 1 34 34 THR CB C 34 69.697 69.697 67.015 2.682 19752 6579 1 10 . 1 1 34 34 THR H H 34 8.221 8.221 7.993 0.228 19752 6580 1 10 . 1 1 35 35 GLY N N 35 111.182 111.182 114.967 -3.785 19752 6581 1 10 . 1 1 35 35 GLY C C 35 173.940 173.940 174.634 -0.694 19752 6582 1 10 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.629 -0.973 19752 6583 1 10 . 1 1 35 35 GLY H H 35 8.376 8.376 8.229 0.147 19752 6584 1 10 . 1 1 36 36 SER N N 36 116.779 116.779 119.808 -3.029 19752 6585 1 10 . 1 1 36 36 SER HA H 36 4.456 4.456 4.617 -0.161 19752 6586 1 10 . 1 1 36 36 SER C C 36 173.880 173.880 173.555 0.325 19752 6587 1 10 . 1 1 36 36 SER CA C 36 58.255 58.255 58.478 -0.223 19752 6588 1 10 . 1 1 36 36 SER CB C 36 64.195 64.195 63.623 0.572 19752 6589 1 10 . 1 1 36 36 SER H H 36 8.456 8.456 8.389 0.068 19752 6590 1 10 . 1 1 37 37 TRP N N 37 121.744 121.744 123.440 -1.696 19752 6591 1 10 . 1 1 37 37 TRP HA H 37 4.528 4.528 5.042 -0.514 19752 6592 1 10 . 1 1 37 37 TRP C C 37 176.500 176.500 176.003 0.497 19752 6593 1 10 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.295 0.795 19752 6594 1 10 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.482 0.525 19752 6595 1 10 . 1 1 37 37 TRP H H 37 8.171 8.171 8.265 -0.094 19752 6596 1 10 . 1 1 38 38 LYS N N 38 123.158 123.158 122.599 0.559 19752 6597 1 10 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.899 -0.273 19752 6598 1 10 . 1 1 38 38 LYS C C 38 172.839 172.839 174.788 -1.949 19752 6599 1 10 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.659 1.497 19752 6600 1 10 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.750 -0.094 19752 6601 1 10 . 1 1 38 38 LYS H H 38 8.736 8.736 8.973 -0.237 19752 6602 1 10 . 1 1 39 39 LYS N N 39 121.526 121.526 124.761 -3.235 19752 6603 1 10 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.450 0.290 19752 6604 1 10 . 1 1 39 39 LYS C C 39 177.510 177.510 176.047 1.463 19752 6605 1 10 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.403 -1.087 19752 6606 1 10 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.647 0.710 19752 6607 1 10 . 1 1 39 39 LYS H H 39 8.123 8.123 8.496 -0.373 19752 6608 1 10 . 1 1 40 40 ASN N N 40 123.988 123.988 124.626 -0.638 19752 6609 1 10 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.790 0.266 19752 6610 1 10 . 1 1 40 40 ASN C C 40 177.524 177.524 176.730 0.794 19752 6611 1 10 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.901 -2.061 19752 6612 1 10 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.150 -0.994 19752 6613 1 10 . 1 1 40 40 ASN H H 40 8.583 8.583 9.223 -0.640 19752 6614 1 10 . 1 1 41 41 GLN N N 41 116.529 116.529 120.223 -3.694 19752 6615 1 10 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.177 -0.117 19752 6616 1 10 . 1 1 41 41 GLN C C 41 175.829 175.829 175.336 0.493 19752 6617 1 10 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.369 0.392 19752 6618 1 10 . 1 1 41 41 GLN CB C 41 27.947 27.947 27.786 0.161 19752 6619 1 10 . 1 1 41 41 GLN H H 41 8.856 8.856 8.935 -0.079 19752 6620 1 10 . 1 1 42 42 TYR N N 42 119.255 119.255 117.298 1.957 19752 6621 1 10 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.590 0.061 19752 6622 1 10 . 1 1 42 42 TYR C C 42 175.782 175.782 176.139 -0.357 19752 6623 1 10 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.051 -0.931 19752 6624 1 10 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.175 -0.057 19752 6625 1 10 . 1 1 42 42 TYR H H 42 7.604 7.604 7.550 0.054 19752 6626 1 10 . 1 1 43 43 GLY N N 43 106.354 106.354 107.428 -1.074 19752 6627 1 10 . 1 1 43 43 GLY C C 43 173.297 173.297 173.491 -0.194 19752 6628 1 10 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.284 -0.121 19752 6629 1 10 . 1 1 43 43 GLY H H 43 7.993 7.993 7.959 0.034 19752 6630 1 10 . 1 1 44 44 THR N N 44 120.062 120.062 115.329 4.733 19752 6631 1 10 . 1 1 44 44 THR HA H 44 4.176 4.176 4.311 -0.135 19752 6632 1 10 . 1 1 44 44 THR C C 44 173.969 173.969 173.752 0.217 19752 6633 1 10 . 1 1 44 44 THR CA C 44 62.132 62.132 62.244 -0.112 19752 6634 1 10 . 1 1 44 44 THR CB C 44 68.989 68.989 69.821 -0.832 19752 6635 1 10 . 1 1 44 44 THR H H 44 7.781 7.781 7.348 0.433 19752 6636 1 10 . 1 1 45 45 TRP N N 45 129.666 129.666 126.822 2.844 19752 6637 1 10 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.302 0.374 19752 6638 1 10 . 1 1 45 45 TRP C C 45 175.999 175.999 176.249 -0.250 19752 6639 1 10 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.745 -0.139 19752 6640 1 10 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.004 0.637 19752 6641 1 10 . 1 1 45 45 TRP H H 45 8.041 8.041 8.688 -0.647 19752 6642 1 10 . 1 1 46 46 TYR N N 46 122.938 122.938 119.937 3.001 19752 6643 1 10 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.160 0.178 19752 6644 1 10 . 1 1 46 46 TYR C C 46 173.663 173.663 173.406 0.257 19752 6645 1 10 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.113 1.194 19752 6646 1 10 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.515 1.610 19752 6647 1 10 . 1 1 46 46 TYR H H 46 10.329 10.329 9.654 0.675 19752 6648 1 10 . 1 1 47 47 LYS N N 47 118.986 118.986 118.035 0.951 19752 6649 1 10 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.676 0.095 19752 6650 1 10 . 1 1 47 47 LYS C C 47 172.462 172.462 173.595 -1.133 19752 6651 1 10 . 1 1 47 47 LYS CA C 47 53.712 53.712 53.082 0.630 19752 6652 1 10 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.848 -0.730 19752 6653 1 10 . 1 1 47 47 LYS H H 47 8.923 8.923 9.275 -0.352 19752 6654 1 10 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.978 -0.176 19752 6655 1 10 . 1 1 48 48 PRO C C 48 176.747 176.747 175.903 0.844 19752 6656 1 10 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.800 -0.135 19752 6657 1 10 . 1 1 48 48 PRO CB C 48 32.039 32.039 32.053 -0.014 19752 6658 1 10 . 1 1 49 49 GLU N N 49 125.285 125.285 124.092 1.193 19752 6659 1 10 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.455 -0.467 19752 6660 1 10 . 1 1 49 49 GLU C C 49 170.927 170.927 174.411 -3.484 19752 6661 1 10 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.655 2.215 19752 6662 1 10 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.741 0.489 19752 6663 1 10 . 1 1 49 49 GLU H H 49 7.771 7.771 8.737 -0.966 19752 6664 1 10 . 1 1 50 50 ASN N N 50 122.328 122.328 124.485 -2.157 19752 6665 1 10 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.386 0.012 19752 6666 1 10 . 1 1 50 50 ASN C C 50 173.648 173.648 173.794 -0.146 19752 6667 1 10 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.627 -0.941 19752 6668 1 10 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.408 0.238 19752 6669 1 10 . 1 1 50 50 ASN H H 50 8.148 8.148 8.532 -0.384 19752 6670 1 10 . 1 1 51 51 ALA N N 51 126.527 126.527 128.926 -2.399 19752 6671 1 10 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.492 -0.039 19752 6672 1 10 . 1 1 51 51 ALA C C 51 172.872 172.872 174.426 -1.554 19752 6673 1 10 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.106 0.491 19752 6674 1 10 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.354 -2.684 19752 6675 1 10 . 1 1 51 51 ALA H H 51 7.085 7.085 7.603 -0.518 19752 6676 1 10 . 1 1 52 52 THR N N 52 112.831 112.831 114.520 -1.689 19752 6677 1 10 . 1 1 52 52 THR HA H 52 5.167 5.167 5.000 0.167 19752 6678 1 10 . 1 1 52 52 THR C C 52 172.852 172.852 172.791 0.061 19752 6679 1 10 . 1 1 52 52 THR CA C 52 62.232 62.232 61.355 0.876 19752 6680 1 10 . 1 1 52 52 THR CB C 52 71.068 71.068 71.097 -0.029 19752 6681 1 10 . 1 1 52 52 THR H H 52 8.036 8.036 8.596 -0.560 19752 6682 1 10 . 1 1 53 53 PHE N N 53 127.883 127.883 125.879 2.004 19752 6683 1 10 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.197 0.126 19752 6684 1 10 . 1 1 53 53 PHE C C 53 172.928 172.928 172.844 0.084 19752 6685 1 10 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.947 -0.672 19752 6686 1 10 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.840 0.366 19752 6687 1 10 . 1 1 53 53 PHE H H 53 9.714 9.714 9.450 0.264 19752 6688 1 10 . 1 1 54 54 VAL N N 54 127.284 127.284 127.681 -0.397 19752 6689 1 10 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.261 0.059 19752 6690 1 10 . 1 1 54 54 VAL C C 54 175.842 175.842 174.085 1.757 19752 6691 1 10 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.046 0.106 19752 6692 1 10 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.684 0.054 19752 6693 1 10 . 1 1 54 54 VAL H H 54 8.583 8.583 8.805 -0.222 19752 6694 1 10 . 1 1 55 55 ASN N N 55 125.723 125.723 125.455 0.268 19752 6695 1 10 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.344 -0.184 19752 6696 1 10 . 1 1 55 55 ASN C C 55 176.333 176.333 175.110 1.223 19752 6697 1 10 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.755 0.834 19752 6698 1 10 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.924 -1.279 19752 6699 1 10 . 1 1 55 55 ASN H H 55 8.970 8.970 8.290 0.680 19752 6700 1 10 . 1 1 56 56 GLY N N 56 114.389 114.389 113.647 0.742 19752 6701 1 10 . 1 1 56 56 GLY C C 56 173.882 173.882 174.798 -0.916 19752 6702 1 10 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.792 -1.117 19752 6703 1 10 . 1 1 56 56 GLY H H 56 8.360 8.360 8.746 -0.386 19752 6704 1 10 . 1 1 57 57 ASN N N 57 115.511 115.511 119.315 -3.804 19752 6705 1 10 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.614 -0.103 19752 6706 1 10 . 1 1 57 57 ASN C C 57 174.741 174.741 175.573 -0.832 19752 6707 1 10 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.632 -0.419 19752 6708 1 10 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.139 -0.509 19752 6709 1 10 . 1 1 57 57 ASN H H 57 8.149 8.149 8.546 -0.397 19752 6710 1 10 . 1 1 58 58 GLN N N 58 118.128 118.128 118.088 0.040 19752 6711 1 10 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.665 0.295 19752 6712 1 10 . 1 1 58 58 GLN C C 58 172.603 172.603 173.325 -0.722 19752 6713 1 10 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.334 -0.701 19752 6714 1 10 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.658 0.910 19752 6715 1 10 . 1 1 58 58 GLN H H 58 7.702 7.702 8.165 -0.463 19752 6716 1 10 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.769 0.171 19752 6717 1 10 . 1 1 59 59 PRO C C 59 176.506 176.506 176.138 0.368 19752 6718 1 10 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.714 -0.458 19752 6719 1 10 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.332 0.328 19752 6720 1 10 . 1 1 60 60 ILE N N 60 120.974 120.974 124.599 -3.625 19752 6721 1 10 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.251 0.023 19752 6722 1 10 . 1 1 60 60 ILE C C 60 175.190 175.190 175.039 0.151 19752 6723 1 10 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.188 0.499 19752 6724 1 10 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.306 1.440 19752 6725 1 10 . 1 1 60 60 ILE H H 60 8.126 8.126 8.859 -0.733 19752 6726 1 10 . 1 1 61 61 VAL N N 61 128.224 128.224 128.701 -0.477 19752 6727 1 10 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.446 -0.333 19752 6728 1 10 . 1 1 61 61 VAL C C 61 175.973 175.973 175.927 0.046 19752 6729 1 10 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.337 2.938 19752 6730 1 10 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.215 -0.285 19752 6731 1 10 . 1 1 61 61 VAL H H 61 8.421 8.421 8.514 -0.093 19752 6732 1 10 . 1 1 62 62 THR N N 62 118.454 118.454 121.927 -3.473 19752 6733 1 10 . 1 1 62 62 THR HA H 62 5.021 5.021 4.902 0.119 19752 6734 1 10 . 1 1 62 62 THR C C 62 174.936 174.936 173.741 1.195 19752 6735 1 10 . 1 1 62 62 THR CA C 62 61.286 61.286 60.799 0.487 19752 6736 1 10 . 1 1 62 62 THR CB C 62 71.133 71.133 71.266 -0.133 19752 6737 1 10 . 1 1 62 62 THR H H 62 7.989 7.989 9.168 -1.179 19752 6738 1 10 . 1 1 63 63 ARG N N 63 118.225 118.225 118.264 -0.039 19752 6739 1 10 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.529 -0.100 19752 6740 1 10 . 1 1 63 63 ARG C C 63 175.607 175.607 175.270 0.337 19752 6741 1 10 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.126 -0.479 19752 6742 1 10 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.613 -0.010 19752 6743 1 10 . 1 1 63 63 ARG H H 63 9.336 9.336 8.934 0.402 19752 6744 1 10 . 1 1 64 64 ILE N N 64 119.746 119.746 120.246 -0.500 19752 6745 1 10 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.225 0.240 19752 6746 1 10 . 1 1 64 64 ILE C C 64 179.206 179.206 176.934 2.272 19752 6747 1 10 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.851 -0.662 19752 6748 1 10 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.703 -1.455 19752 6749 1 10 . 1 1 64 64 ILE H H 64 8.741 8.741 8.096 0.645 19752 6750 1 10 . 1 1 65 65 GLY N N 65 116.059 116.059 116.072 -0.013 19752 6751 1 10 . 1 1 65 65 GLY C C 65 174.185 174.185 173.533 0.652 19752 6752 1 10 . 1 1 65 65 GLY CA C 65 47.671 47.671 45.850 1.821 19752 6753 1 10 . 1 1 65 65 GLY H H 65 9.316 9.316 9.283 0.033 19752 6754 1 10 . 1 1 66 66 SER N N 66 114.840 114.840 114.773 0.067 19752 6755 1 10 . 1 1 66 66 SER HA H 66 4.160 4.160 4.050 0.110 19752 6756 1 10 . 1 1 66 66 SER C C 66 170.281 170.281 171.216 -0.935 19752 6757 1 10 . 1 1 66 66 SER CA C 66 56.207 56.207 55.561 0.646 19752 6758 1 10 . 1 1 66 66 SER CB C 66 63.737 63.737 65.170 -1.433 19752 6759 1 10 . 1 1 66 66 SER H H 66 7.412 7.412 7.430 -0.018 19752 6760 1 10 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.733 -1.095 19752 6761 1 10 . 1 1 67 67 PRO C C 67 170.030 170.030 174.169 -4.139 19752 6762 1 10 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.505 -1.835 19752 6763 1 10 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.253 -5.343 19752 6764 1 10 . 1 1 68 68 PHE N N 68 111.778 111.778 119.124 -7.346 19752 6765 1 10 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.469 0.024 19752 6766 1 10 . 1 1 68 68 PHE C C 68 177.055 177.055 175.024 2.031 19752 6767 1 10 . 1 1 68 68 PHE CA C 68 55.628 55.628 57.328 -1.700 19752 6768 1 10 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.730 1.628 19752 6769 1 10 . 1 1 68 68 PHE H H 68 6.610 6.610 6.949 -0.339 19752 6770 1 10 . 1 1 69 69 LEU N N 69 119.491 119.491 121.281 -1.790 19752 6771 1 10 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.461 -0.148 19752 6772 1 10 . 1 1 69 69 LEU C C 69 176.326 176.326 178.214 -1.888 19752 6773 1 10 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.721 -1.490 19752 6774 1 10 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.153 -1.283 19752 6775 1 10 . 1 1 69 69 LEU H H 69 8.388 8.388 8.887 -0.499 19752 6776 1 10 . 1 1 70 70 ASN N N 70 112.229 112.229 116.430 -4.201 19752 6777 1 10 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.674 0.168 19752 6778 1 10 . 1 1 70 70 ASN C C 70 175.620 175.620 174.601 1.019 19752 6779 1 10 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.705 -1.037 19752 6780 1 10 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.599 0.054 19752 6781 1 10 . 1 1 70 70 ASN H H 70 7.675 7.675 8.396 -0.721 19752 6782 1 10 . 1 1 71 71 ALA N N 71 123.955 123.955 123.925 0.030 19752 6783 1 10 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.437 0.122 19752 6784 1 10 . 1 1 71 71 ALA C C 71 174.274 174.274 175.441 -1.167 19752 6785 1 10 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.715 0.755 19752 6786 1 10 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.210 -0.367 19752 6787 1 10 . 1 1 71 71 ALA H H 71 7.152 7.152 7.117 0.035 19752 6788 1 10 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.236 0.177 19752 6789 1 10 . 1 1 72 72 PRO C C 72 176.342 176.342 175.823 0.519 19752 6790 1 10 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.921 -0.802 19752 6791 1 10 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.591 0.565 19752 6792 1 10 . 1 1 73 73 VAL N N 73 121.078 121.078 121.868 -0.790 19752 6793 1 10 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.297 -0.013 19752 6794 1 10 . 1 1 73 73 VAL C C 73 177.864 177.864 177.853 0.011 19752 6795 1 10 . 1 1 73 73 VAL CA C 73 63.277 63.277 61.412 1.865 19752 6796 1 10 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.430 -0.706 19752 6797 1 10 . 1 1 73 73 VAL H H 73 8.328 8.328 8.090 0.238 19752 6798 1 10 . 1 1 74 74 GLY N N 74 114.118 114.118 110.367 3.751 19752 6799 1 10 . 1 1 74 74 GLY C C 74 173.963 173.963 174.418 -0.455 19752 6800 1 10 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.916 -0.131 19752 6801 1 10 . 1 1 74 74 GLY H H 74 8.781 8.781 8.817 -0.036 19752 6802 1 10 . 1 1 75 75 GLY N N 75 107.324 107.324 110.588 -3.264 19752 6803 1 10 . 1 1 75 75 GLY C C 75 173.460 173.460 172.589 0.871 19752 6804 1 10 . 1 1 75 75 GLY CA C 75 43.748 43.748 45.013 -1.265 19752 6805 1 10 . 1 1 75 75 GLY H H 75 7.278 7.278 8.175 -0.897 19752 6806 1 10 . 1 1 76 76 ASN N N 76 119.682 119.682 123.132 -3.450 19752 6807 1 10 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.191 0.231 19752 6808 1 10 . 1 1 76 76 ASN C C 76 175.760 175.760 174.638 1.122 19752 6809 1 10 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.561 -0.284 19752 6810 1 10 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.807 -2.594 19752 6811 1 10 . 1 1 76 76 ASN H H 76 8.797 8.797 8.535 0.262 19752 6812 1 10 . 1 1 77 77 LEU N N 77 129.545 129.545 128.000 1.545 19752 6813 1 10 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.935 -0.064 19752 6814 1 10 . 1 1 77 77 LEU C C 77 174.374 174.374 174.512 -0.138 19752 6815 1 10 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.283 0.931 19752 6816 1 10 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.711 -0.640 19752 6817 1 10 . 1 1 77 77 LEU H H 77 10.083 10.083 9.222 0.861 19752 6818 1 10 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.482 -0.153 19752 6819 1 10 . 1 1 78 78 PRO C C 78 177.553 177.553 175.821 1.732 19752 6820 1 10 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.540 0.041 19752 6821 1 10 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.486 0.235 19752 6822 1 10 . 1 1 79 79 ALA N N 79 125.294 125.294 124.144 1.150 19752 6823 1 10 . 1 1 79 79 ALA HA H 79 4.260 4.260 3.991 0.269 19752 6824 1 10 . 1 1 79 79 ALA C C 79 179.984 179.984 178.065 1.919 19752 6825 1 10 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.065 1.113 19752 6826 1 10 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.516 -1.270 19752 6827 1 10 . 1 1 79 79 ALA H H 79 8.585 8.585 8.123 0.462 19752 6828 1 10 . 1 1 80 80 GLY N N 80 110.970 110.970 110.314 0.656 19752 6829 1 10 . 1 1 80 80 GLY C C 80 173.499 173.499 173.770 -0.271 19752 6830 1 10 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.848 1.106 19752 6831 1 10 . 1 1 80 80 GLY H H 80 8.004 8.004 8.601 -0.597 19752 6832 1 10 . 1 1 81 81 ALA N N 81 122.249 122.249 124.094 -1.845 19752 6833 1 10 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.550 -0.299 19752 6834 1 10 . 1 1 81 81 ALA C C 81 175.709 175.709 176.036 -0.327 19752 6835 1 10 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.780 0.985 19752 6836 1 10 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.712 1.141 19752 6837 1 10 . 1 1 81 81 ALA H H 81 7.363 7.363 7.306 0.057 19752 6838 1 10 . 1 1 82 82 THR N N 82 114.980 114.980 120.841 -5.861 19752 6839 1 10 . 1 1 82 82 THR HA H 82 5.171 5.171 4.561 0.610 19752 6840 1 10 . 1 1 82 82 THR C C 82 174.618 174.618 173.624 0.994 19752 6841 1 10 . 1 1 82 82 THR CA C 82 62.118 62.118 62.730 -0.612 19752 6842 1 10 . 1 1 82 82 THR CB C 82 70.555 70.555 68.945 1.610 19752 6843 1 10 . 1 1 82 82 THR H H 82 8.181 8.181 8.480 -0.299 19752 6844 1 10 . 1 1 83 83 ILE N N 83 127.480 127.480 129.110 -1.630 19752 6845 1 10 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.362 0.042 19752 6846 1 10 . 1 1 83 83 ILE C C 83 173.926 173.926 174.132 -0.206 19752 6847 1 10 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.906 -0.567 19752 6848 1 10 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.075 1.153 19752 6849 1 10 . 1 1 83 83 ILE H H 83 9.627 9.627 9.303 0.324 19752 6850 1 10 . 1 1 84 84 VAL N N 84 128.246 128.246 127.486 0.760 19752 6851 1 10 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.332 0.341 19752 6852 1 10 . 1 1 84 84 VAL C C 84 175.501 175.501 174.451 1.050 19752 6853 1 10 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.537 1.598 19752 6854 1 10 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.520 -1.864 19752 6855 1 10 . 1 1 84 84 VAL H H 84 8.059 8.059 8.533 -0.474 19752 6856 1 10 . 1 1 85 85 TYR N N 85 126.862 126.862 124.956 1.906 19752 6857 1 10 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.876 0.549 19752 6858 1 10 . 1 1 85 85 TYR C C 85 174.273 174.273 173.545 0.728 19752 6859 1 10 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.504 0.307 19752 6860 1 10 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.105 2.171 19752 6861 1 10 . 1 1 85 85 TYR H H 85 8.840 8.840 8.734 0.106 19752 6862 1 10 . 1 1 86 86 ASP N N 86 115.086 115.086 120.537 -5.451 19752 6863 1 10 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.977 0.491 19752 6864 1 10 . 1 1 86 86 ASP C C 86 177.943 177.943 175.541 2.402 19752 6865 1 10 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.162 0.041 19752 6866 1 10 . 1 1 86 86 ASP CB C 86 43.575 43.575 44.105 -0.530 19752 6867 1 10 . 1 1 86 86 ASP H H 86 8.843 8.843 8.649 0.194 19752 6868 1 10 . 1 1 87 87 GLU N N 87 124.208 124.208 120.215 3.993 19752 6869 1 10 . 1 1 87 87 GLU HA H 87 5.115 5.115 4.866 0.249 19752 6870 1 10 . 1 1 87 87 GLU C C 87 173.613 173.613 174.591 -0.978 19752 6871 1 10 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.206 0.566 19752 6872 1 10 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.132 2.375 19752 6873 1 10 . 1 1 87 87 GLU H H 87 8.121 8.121 8.415 -0.294 19752 6874 1 10 . 1 1 88 88 VAL N N 88 121.754 121.754 126.255 -4.501 19752 6875 1 10 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.913 0.801 19752 6876 1 10 . 1 1 88 88 VAL C C 88 175.480 175.480 174.789 0.691 19752 6877 1 10 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.481 -0.711 19752 6878 1 10 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.319 1.325 19752 6879 1 10 . 1 1 88 88 VAL H H 88 8.822 8.822 9.157 -0.335 19752 6880 1 10 . 1 1 89 89 CYS N N 89 118.234 118.234 125.106 -6.872 19752 6881 1 10 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.081 0.218 19752 6882 1 10 . 1 1 89 89 CYS C C 89 174.126 174.126 173.774 0.352 19752 6883 1 10 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.748 0.336 19752 6884 1 10 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.262 1.843 19752 6885 1 10 . 1 1 89 89 CYS H H 89 9.404 9.404 9.669 -0.265 19752 6886 1 10 . 1 1 90 90 ILE N N 90 122.085 122.085 123.634 -1.549 19752 6887 1 10 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.406 0.827 19752 6888 1 10 . 1 1 90 90 ILE C C 90 176.210 176.210 174.482 1.728 19752 6889 1 10 . 1 1 90 90 ILE CA C 90 61.559 61.559 61.082 0.477 19752 6890 1 10 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.416 3.073 19752 6891 1 10 . 1 1 90 90 ILE H H 90 9.773 9.773 9.356 0.417 19752 6892 1 10 . 1 1 91 91 GLN N N 91 125.884 125.884 127.698 -1.814 19752 6893 1 10 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.868 -0.249 19752 6894 1 10 . 1 1 91 91 GLN C C 91 176.019 176.019 174.575 1.444 19752 6895 1 10 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.276 1.946 19752 6896 1 10 . 1 1 91 91 GLN CB C 91 31.193 31.193 33.043 -1.850 19752 6897 1 10 . 1 1 91 91 GLN H H 91 8.910 8.910 8.239 0.671 19752 6898 1 10 . 1 1 92 92 ALA N N 92 131.300 131.300 128.349 2.951 19752 6899 1 10 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.126 0.398 19752 6900 1 10 . 1 1 92 92 ALA C C 92 178.514 178.514 177.222 1.292 19752 6901 1 10 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.799 -0.333 19752 6902 1 10 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.747 0.522 19752 6903 1 10 . 1 1 92 92 ALA H H 92 9.888 9.888 8.863 1.025 19752 6904 1 10 . 1 1 93 93 GLY N N 93 107.622 107.622 112.396 -4.774 19752 6905 1 10 . 1 1 93 93 GLY C C 93 174.796 174.796 173.330 1.466 19752 6906 1 10 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.770 1.700 19752 6907 1 10 . 1 1 93 93 GLY H H 93 9.675 9.675 8.244 1.431 19752 6908 1 10 . 1 1 94 94 HIS N N 94 118.233 118.233 119.376 -1.143 19752 6909 1 10 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.052 -0.226 19752 6910 1 10 . 1 1 94 94 HIS C C 94 173.575 173.575 172.666 0.909 19752 6911 1 10 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.357 0.863 19752 6912 1 10 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.886 -2.153 19752 6913 1 10 . 1 1 94 94 HIS H H 94 8.337 8.337 8.108 0.229 19752 6914 1 10 . 1 1 95 95 ILE N N 95 118.964 118.964 122.173 -3.209 19752 6915 1 10 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.489 0.722 19752 6916 1 10 . 1 1 95 95 ILE C C 95 174.555 174.555 173.829 0.726 19752 6917 1 10 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.950 1.032 19752 6918 1 10 . 1 1 95 95 ILE CB C 95 38.783 38.783 39.689 -0.906 19752 6919 1 10 . 1 1 95 95 ILE H H 95 8.116 8.116 7.765 0.351 19752 6920 1 10 . 1 1 96 96 TRP N N 96 127.092 127.092 129.550 -2.458 19752 6921 1 10 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.559 -0.082 19752 6922 1 10 . 1 1 96 96 TRP C C 96 176.216 176.216 176.946 -0.730 19752 6923 1 10 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.921 -0.678 19752 6924 1 10 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.144 0.624 19752 6925 1 10 . 1 1 96 96 TRP H H 96 9.869 9.869 9.218 0.651 19752 6926 1 10 . 1 1 97 97 ILE N N 97 113.283 113.283 120.586 -7.303 19752 6927 1 10 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.157 0.315 19752 6928 1 10 . 1 1 97 97 ILE C C 97 175.278 175.278 175.386 -0.108 19752 6929 1 10 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.313 -0.129 19752 6930 1 10 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.060 0.589 19752 6931 1 10 . 1 1 97 97 ILE H H 97 8.893 8.893 9.208 -0.315 19752 6932 1 10 . 1 1 98 98 GLY N N 98 109.684 109.684 114.295 -4.611 19752 6933 1 10 . 1 1 98 98 GLY C C 98 172.048 172.048 172.479 -0.431 19752 6934 1 10 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.469 1.651 19752 6935 1 10 . 1 1 98 98 GLY H H 98 9.043 9.043 9.163 -0.120 19752 6936 1 10 . 1 1 99 99 TYR N N 99 117.809 117.809 121.560 -3.751 19752 6937 1 10 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.120 -0.212 19752 6938 1 10 . 1 1 99 99 TYR C C 99 172.626 172.626 173.087 -0.461 19752 6939 1 10 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.017 1.242 19752 6940 1 10 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.987 -0.840 19752 6941 1 10 . 1 1 99 99 TYR H H 99 8.434 8.434 8.575 -0.141 19752 6942 1 10 . 1 1 100 100 ASN N N 100 117.139 117.139 119.171 -2.032 19752 6943 1 10 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.535 -0.249 19752 6944 1 10 . 1 1 100 100 ASN C C 100 175.315 175.315 174.249 1.066 19752 6945 1 10 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.895 0.091 19752 6946 1 10 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.257 -0.882 19752 6947 1 10 . 1 1 100 100 ASN H H 100 8.844 8.844 8.627 0.217 19752 6948 1 10 . 1 1 101 101 ALA N N 101 126.218 126.218 126.412 -0.194 19752 6949 1 10 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.779 -0.142 19752 6950 1 10 . 1 1 101 101 ALA C C 101 179.095 179.095 178.768 0.327 19752 6951 1 10 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.517 0.695 19752 6952 1 10 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.488 0.154 19752 6953 1 10 . 1 1 101 101 ALA H H 101 8.870 8.870 8.679 0.191 19752 6954 1 10 . 1 1 102 102 TYR N N 102 121.067 121.067 116.715 4.352 19752 6955 1 10 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.257 0.082 19752 6956 1 10 . 1 1 102 102 TYR C C 102 175.986 175.986 176.238 -0.252 19752 6957 1 10 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.990 0.154 19752 6958 1 10 . 1 1 102 102 TYR CB C 102 37.653 37.653 38.001 -0.348 19752 6959 1 10 . 1 1 102 102 TYR H H 102 8.720 8.720 8.647 0.073 19752 6960 1 10 . 1 1 103 103 ASN N N 103 115.289 115.289 116.877 -1.588 19752 6961 1 10 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.749 -0.337 19752 6962 1 10 . 1 1 103 103 ASN C C 103 175.963 175.963 175.651 0.312 19752 6963 1 10 . 1 1 103 103 ASN CA C 103 52.246 52.246 51.955 0.291 19752 6964 1 10 . 1 1 103 103 ASN CB C 103 37.245 37.245 39.148 -1.903 19752 6965 1 10 . 1 1 103 103 ASN H H 103 7.490 7.490 7.607 -0.117 19752 6966 1 10 . 1 1 104 104 GLY N N 104 107.204 107.204 108.911 -1.707 19752 6967 1 10 . 1 1 104 104 GLY C C 104 174.620 174.620 173.659 0.961 19752 6968 1 10 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.412 -0.284 19752 6969 1 10 . 1 1 104 104 GLY H H 104 8.020 8.020 8.152 -0.132 19752 6970 1 10 . 1 1 105 105 ASN N N 105 118.581 118.581 118.475 0.106 19752 6971 1 10 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.408 0.168 19752 6972 1 10 . 1 1 105 105 ASN C C 105 173.805 173.805 174.662 -0.857 19752 6973 1 10 . 1 1 105 105 ASN CA C 105 53.030 53.030 53.681 -0.651 19752 6974 1 10 . 1 1 105 105 ASN CB C 105 38.984 38.984 38.657 0.327 19752 6975 1 10 . 1 1 105 105 ASN H H 105 7.703 7.703 7.573 0.130 19752 6976 1 10 . 1 1 106 106 ARG N N 106 123.191 123.191 126.118 -2.927 19752 6977 1 10 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.745 -0.181 19752 6978 1 10 . 1 1 106 106 ARG C C 106 174.360 174.360 175.061 -0.701 19752 6979 1 10 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.216 -0.554 19752 6980 1 10 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.885 0.722 19752 6981 1 10 . 1 1 106 106 ARG H H 106 8.635 8.635 8.606 0.029 19752 6982 1 10 . 1 1 107 107 VAL N N 107 128.482 128.482 126.098 2.384 19752 6983 1 10 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.403 0.150 19752 6984 1 10 . 1 1 107 107 VAL C C 107 172.290 172.290 174.157 -1.867 19752 6985 1 10 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.249 -0.565 19752 6986 1 10 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.352 1.125 19752 6987 1 10 . 1 1 107 107 VAL H H 107 8.668 8.668 8.347 0.321 19752 6988 1 10 . 1 1 108 108 TYR N N 108 119.055 119.055 124.523 -5.468 19752 6989 1 10 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.484 0.009 19752 6990 1 10 . 1 1 108 108 TYR C C 108 175.215 175.215 175.334 -0.119 19752 6991 1 10 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.270 0.302 19752 6992 1 10 . 1 1 108 108 TYR CB C 108 42.435 42.435 40.840 1.595 19752 6993 1 10 . 1 1 108 108 TYR H H 108 8.944 8.944 9.253 -0.309 19752 6994 1 10 . 1 1 109 109 CYS N N 109 124.377 124.377 123.138 1.239 19752 6995 1 10 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.100 0.345 19752 6996 1 10 . 1 1 109 109 CYS C C 109 171.899 171.899 173.694 -1.795 19752 6997 1 10 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.779 -1.614 19752 6998 1 10 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.152 -1.349 19752 6999 1 10 . 1 1 109 109 CYS H H 109 9.675 9.675 9.146 0.529 19752 7000 1 10 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.305 0.874 19752 7001 1 10 . 1 1 110 110 PRO C C 110 175.490 175.490 177.263 -1.773 19752 7002 1 10 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.352 -1.754 19752 7003 1 10 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.094 -1.638 19752 7004 1 10 . 1 1 111 111 VAL N N 111 109.293 109.293 111.586 -2.293 19752 7005 1 10 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.493 0.916 19752 7006 1 10 . 1 1 111 111 VAL C C 111 173.598 173.598 174.209 -0.611 19752 7007 1 10 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.096 -4.003 19752 7008 1 10 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.840 3.680 19752 7009 1 10 . 1 1 111 111 VAL H H 111 8.382 8.382 7.577 0.805 19752 7010 1 10 . 1 1 112 112 ARG N N 112 110.825 110.825 115.972 -5.147 19752 7011 1 10 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.511 -1.353 19752 7012 1 10 . 1 1 112 112 ARG C C 112 175.480 175.480 174.803 0.677 19752 7013 1 10 . 1 1 112 112 ARG CA C 112 54.449 54.449 54.169 0.280 19752 7014 1 10 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.311 -1.165 19752 7015 1 10 . 1 1 112 112 ARG H H 112 6.735 6.735 8.070 -1.335 19752 7016 1 10 . 1 1 113 113 THR N N 113 111.002 111.002 118.234 -7.232 19752 7017 1 10 . 1 1 113 113 THR HA H 113 4.238 4.238 4.496 -0.258 19752 7018 1 10 . 1 1 113 113 THR C C 113 174.123 174.123 173.804 0.319 19752 7019 1 10 . 1 1 113 113 THR CA C 113 62.468 62.468 64.382 -1.915 19752 7020 1 10 . 1 1 113 113 THR CB C 113 70.502 70.502 69.507 0.995 19752 7021 1 10 . 1 1 113 113 THR H H 113 8.898 8.898 7.724 1.174 19752 7022 1 10 . 1 1 114 114 CYS N N 114 119.522 119.522 125.248 -5.726 19752 7023 1 10 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.387 -0.872 19752 7024 1 10 . 1 1 114 114 CYS C C 114 172.669 172.669 172.373 0.296 19752 7025 1 10 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.502 2.115 19752 7026 1 10 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.666 -1.121 19752 7027 1 10 . 1 1 114 114 CYS H H 114 7.936 7.936 8.197 -0.261 19752 7028 1 10 . 1 1 115 115 GLN N N 115 129.342 129.342 126.012 3.330 19752 7029 1 10 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.517 0.111 19752 7030 1 10 . 1 1 115 115 GLN C C 115 175.456 175.456 174.463 0.993 19752 7031 1 10 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.743 -0.501 19752 7032 1 10 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.473 -0.297 19752 7033 1 10 . 1 1 115 115 GLN H H 115 7.963 7.963 8.815 -0.852 19752 7034 1 10 . 1 1 116 116 GLY N N 116 112.311 112.311 110.823 1.488 19752 7035 1 10 . 1 1 116 116 GLY C C 116 171.907 171.907 172.800 -0.893 19752 7036 1 10 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.415 -1.198 19752 7037 1 10 . 1 1 116 116 GLY H H 116 8.591 8.591 8.057 0.534 19752 7038 1 10 . 1 1 117 117 VAL N N 117 110.113 110.113 116.690 -6.577 19752 7039 1 10 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.405 -0.267 19752 7040 1 10 . 1 1 117 117 VAL C C 117 171.857 171.857 173.725 -1.868 19752 7041 1 10 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.759 0.198 19752 7042 1 10 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.322 -0.773 19752 7043 1 10 . 1 1 117 117 VAL H H 117 7.745 7.745 8.226 -0.481 19752 7044 1 10 . 1 1 118 118 PRO HA H 118 4.496 4.496 4.075 0.421 19752 7045 1 10 . 1 1 118 118 PRO CA C 118 61.490 61.490 61.750 -0.260 19752 7046 1 10 . 1 1 118 118 PRO CB C 118 29.760 29.760 31.115 -1.355 19752 7047 1 10 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.128 0.248 19752 7048 1 10 . 1 1 119 119 PRO C C 119 176.006 176.006 175.995 0.011 19752 7049 1 10 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.485 1.671 19752 7050 1 10 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.239 1.796 19752 7051 1 10 . 1 1 120 120 ASN N N 120 124.472 124.472 120.545 3.927 19752 7052 1 10 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.512 0.392 19752 7053 1 10 . 1 1 120 120 ASN C C 120 172.963 172.963 173.819 -0.856 19752 7054 1 10 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.130 -0.015 19752 7055 1 10 . 1 1 120 120 ASN CB C 120 39.227 39.227 37.928 1.299 19752 7056 1 10 . 1 1 120 120 ASN H H 120 8.414 8.414 7.890 0.524 19752 7057 1 10 . 1 1 121 121 HIS N N 121 120.276 120.276 120.301 -0.025 19752 7058 1 10 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.865 -0.438 19752 7059 1 10 . 1 1 121 121 HIS C C 121 174.788 174.788 174.179 0.609 19752 7060 1 10 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.867 1.833 19752 7061 1 10 . 1 1 121 121 HIS CB C 121 30.708 30.708 29.919 0.789 19752 7062 1 10 . 1 1 121 121 HIS H H 121 8.591 8.591 7.800 0.791 19752 7063 1 10 . 1 1 122 122 ILE N N 122 120.474 120.474 126.338 -5.864 19752 7064 1 10 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.431 -0.086 19752 7065 1 10 . 1 1 122 122 ILE C C 122 174.718 174.718 173.737 0.981 19752 7066 1 10 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.355 -0.225 19752 7067 1 10 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.530 1.240 19752 7068 1 10 . 1 1 122 122 ILE H H 122 8.883 8.883 9.000 -0.117 19752 7069 1 10 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.034 -0.538 19752 7070 1 10 . 1 1 123 123 PRO C C 123 177.104 177.104 176.348 0.756 19752 7071 1 10 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.892 0.715 19752 7072 1 10 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.388 0.141 19752 7073 1 10 . 1 1 124 124 GLY N N 124 111.030 111.030 110.592 0.438 19752 7074 1 10 . 1 1 124 124 GLY C C 124 173.906 173.906 173.785 0.121 19752 7075 1 10 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.551 -1.434 19752 7076 1 10 . 1 1 124 124 GLY H H 124 8.553 8.553 8.638 -0.085 19752 7077 1 10 . 1 1 125 125 VAL N N 125 121.916 121.916 122.676 -0.760 19752 7078 1 10 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.988 -0.068 19752 7079 1 10 . 1 1 125 125 VAL C C 125 176.148 176.148 174.395 1.753 19752 7080 1 10 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.815 1.823 19752 7081 1 10 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.624 -0.506 19752 7082 1 10 . 1 1 125 125 VAL H H 125 8.493 8.493 8.017 0.476 19752 7083 1 10 . 1 1 126 126 ALA N N 126 127.872 127.872 129.214 -1.342 19752 7084 1 10 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.294 0.196 19752 7085 1 10 . 1 1 126 126 ALA C C 126 179.447 179.447 176.956 2.491 19752 7086 1 10 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.987 1.682 19752 7087 1 10 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.486 0.142 19752 7088 1 10 . 1 1 126 126 ALA H H 126 8.835 8.835 8.384 0.451 19752 7089 1 10 . 1 1 127 127 TRP N N 127 121.928 121.928 124.270 -2.342 19752 7090 1 10 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.974 0.139 19752 7091 1 10 . 1 1 127 127 TRP C C 127 174.684 174.684 175.403 -0.719 19752 7092 1 10 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.967 -0.338 19752 7093 1 10 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.383 -2.229 19752 7094 1 10 . 1 1 127 127 TRP H H 127 8.555 8.555 9.048 -0.493 19752 7095 1 10 . 1 1 128 128 GLY N N 128 103.981 103.981 105.644 -1.663 19752 7096 1 10 . 1 1 128 128 GLY C C 128 171.694 171.694 172.523 -0.829 19752 7097 1 10 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.981 0.708 19752 7098 1 10 . 1 1 128 128 GLY H H 128 7.280 7.280 7.615 -0.335 19752 7099 1 10 . 1 1 129 129 VAL N N 129 119.078 119.078 120.582 -1.504 19752 7100 1 10 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.445 -0.102 19752 7101 1 10 . 1 1 129 129 VAL C C 129 173.255 173.255 174.836 -1.581 19752 7102 1 10 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.122 -0.461 19752 7103 1 10 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.881 1.670 19752 7104 1 10 . 1 1 129 129 VAL H H 129 8.274 8.274 8.262 0.012 19752 7105 1 10 . 1 1 130 130 PHE N N 130 122.633 122.633 126.473 -3.840 19752 7106 1 10 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.090 0.454 19752 7107 1 10 . 1 1 130 130 PHE C C 130 175.771 175.771 175.564 0.207 19752 7108 1 10 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.745 -0.569 19752 7109 1 10 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.372 -0.702 19752 7110 1 10 . 1 1 130 130 PHE H H 130 8.464 8.464 8.822 -0.358 19752 7111 1 11 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.986 -0.220 19752 7112 1 11 . 1 1 2 2 ASN C C 2 174.930 174.930 173.380 1.550 19752 7113 1 11 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.455 0.754 19752 7114 1 11 . 1 1 2 2 ASN CB C 2 39.213 39.213 40.816 -1.603 19752 7115 1 11 . 1 1 3 3 ALA N N 3 124.643 124.643 126.639 -1.996 19752 7116 1 11 . 1 1 3 3 ALA HA H 3 4.264 4.264 5.092 -0.828 19752 7117 1 11 . 1 1 3 3 ALA C C 3 177.790 177.790 177.343 0.447 19752 7118 1 11 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.333 1.504 19752 7119 1 11 . 1 1 3 3 ALA CB C 3 19.240 19.240 21.343 -2.103 19752 7120 1 11 . 1 1 3 3 ALA H H 3 8.386 8.386 8.167 0.219 19752 7121 1 11 . 1 1 4 4 LYS N N 4 120.203 120.203 118.201 2.002 19752 7122 1 11 . 1 1 4 4 LYS HA H 4 4.223 4.223 3.923 0.300 19752 7123 1 11 . 1 1 4 4 LYS C C 4 176.230 176.230 177.160 -0.930 19752 7124 1 11 . 1 1 4 4 LYS CA C 4 56.534 56.534 58.495 -1.961 19752 7125 1 11 . 1 1 4 4 LYS CB C 4 32.811 32.811 30.718 2.093 19752 7126 1 11 . 1 1 4 4 LYS H H 4 8.300 8.300 8.778 -0.478 19752 7127 1 11 . 1 1 5 5 ASN N N 5 119.229 119.229 118.548 0.681 19752 7128 1 11 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.716 -0.048 19752 7129 1 11 . 1 1 5 5 ASN C C 5 175.033 175.033 176.253 -1.220 19752 7130 1 11 . 1 1 5 5 ASN CA C 5 53.125 53.125 54.713 -1.588 19752 7131 1 11 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.602 -0.825 19752 7132 1 11 . 1 1 5 5 ASN H H 5 8.320 8.320 8.101 0.219 19752 7133 1 11 . 1 1 6 6 TYR N N 6 120.593 120.593 119.844 0.749 19752 7134 1 11 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.763 -0.253 19752 7135 1 11 . 1 1 6 6 TYR C C 6 175.554 175.554 175.560 -0.006 19752 7136 1 11 . 1 1 6 6 TYR CA C 6 58.213 58.213 55.866 2.347 19752 7137 1 11 . 1 1 6 6 TYR CB C 6 38.601 38.601 36.417 2.184 19752 7138 1 11 . 1 1 6 6 TYR H H 6 8.087 8.087 7.772 0.315 19752 7139 1 11 . 1 1 7 7 MET N N 7 121.477 121.477 119.110 2.367 19752 7140 1 11 . 1 1 7 7 MET HA H 7 4.391 4.391 4.009 0.382 19752 7141 1 11 . 1 1 7 7 MET C C 7 175.609 175.609 174.592 1.017 19752 7142 1 11 . 1 1 7 7 MET CA C 7 55.494 55.494 56.641 -1.147 19752 7143 1 11 . 1 1 7 7 MET CB C 7 32.970 32.970 32.264 0.706 19752 7144 1 11 . 1 1 7 7 MET H H 7 8.121 8.121 8.041 0.080 19752 7145 1 11 . 1 1 8 8 ASP N N 8 121.704 121.704 120.793 0.911 19752 7146 1 11 . 1 1 8 8 ASP HA H 8 4.555 4.555 5.046 -0.491 19752 7147 1 11 . 1 1 8 8 ASP C C 8 176.344 176.344 175.507 0.837 19752 7148 1 11 . 1 1 8 8 ASP CA C 8 54.471 54.471 53.504 0.967 19752 7149 1 11 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.794 -0.472 19752 7150 1 11 . 1 1 8 8 ASP H H 8 8.189 8.189 8.288 -0.099 19752 7151 1 11 . 1 1 9 9 LYS N N 9 122.168 122.168 127.156 -4.988 19752 7152 1 11 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.562 -0.255 19752 7153 1 11 . 1 1 9 9 LYS C C 9 177.267 177.267 177.032 0.235 19752 7154 1 11 . 1 1 9 9 LYS CA C 9 56.622 56.622 54.395 2.227 19752 7155 1 11 . 1 1 9 9 LYS CB C 9 32.765 32.765 33.215 -0.450 19752 7156 1 11 . 1 1 9 9 LYS H H 9 8.335 8.335 8.970 -0.635 19752 7157 1 11 . 1 1 10 10 GLY N N 10 109.505 109.505 115.824 -6.319 19752 7158 1 11 . 1 1 10 10 GLY C C 10 174.568 174.568 173.969 0.599 19752 7159 1 11 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.747 -0.164 19752 7160 1 11 . 1 1 10 10 GLY H H 10 8.497 8.497 8.812 -0.315 19752 7161 1 11 . 1 1 11 11 THR N N 11 113.312 113.312 115.857 -2.545 19752 7162 1 11 . 1 1 11 11 THR HA H 11 4.396 4.396 4.447 -0.051 19752 7163 1 11 . 1 1 11 11 THR C C 11 174.719 174.719 172.849 1.870 19752 7164 1 11 . 1 1 11 11 THR CA C 11 61.779 61.779 61.974 -0.195 19752 7165 1 11 . 1 1 11 11 THR CB C 11 69.963 69.963 69.728 0.235 19752 7166 1 11 . 1 1 11 11 THR H H 11 8.081 8.081 8.061 0.020 19752 7167 1 11 . 1 1 12 12 SER N N 12 118.272 118.272 120.129 -1.857 19752 7168 1 11 . 1 1 12 12 SER HA H 12 4.499 4.499 4.313 0.186 19752 7169 1 11 . 1 1 12 12 SER C C 12 174.766 174.766 175.175 -0.409 19752 7170 1 11 . 1 1 12 12 SER CA C 12 58.432 58.432 59.086 -0.654 19752 7171 1 11 . 1 1 12 12 SER CB C 12 63.986 63.986 62.972 1.014 19752 7172 1 11 . 1 1 12 12 SER H H 12 8.413 8.413 8.862 -0.449 19752 7173 1 11 . 1 1 13 13 SER N N 13 118.106 118.106 120.249 -2.143 19752 7174 1 11 . 1 1 13 13 SER HA H 13 4.518 4.518 4.287 0.231 19752 7175 1 11 . 1 1 13 13 SER C C 13 174.674 174.674 174.065 0.609 19752 7176 1 11 . 1 1 13 13 SER CA C 13 58.607 58.607 59.210 -0.603 19752 7177 1 11 . 1 1 13 13 SER CB C 13 63.869 63.869 63.605 0.264 19752 7178 1 11 . 1 1 13 13 SER H H 13 8.414 8.414 8.659 -0.245 19752 7179 1 11 . 1 1 14 14 SER N N 14 117.724 117.724 117.160 0.564 19752 7180 1 11 . 1 1 14 14 SER HA H 14 4.535 4.535 4.358 0.177 19752 7181 1 11 . 1 1 14 14 SER C C 14 174.743 174.743 173.556 1.187 19752 7182 1 11 . 1 1 14 14 SER CA C 14 58.630 58.630 58.636 -0.006 19752 7183 1 11 . 1 1 14 14 SER CB C 14 63.798 63.798 62.948 0.850 19752 7184 1 11 . 1 1 14 14 SER H H 14 8.379 8.379 8.132 0.247 19752 7185 1 11 . 1 1 15 15 THR N N 15 116.549 116.549 118.687 -2.138 19752 7186 1 11 . 1 1 15 15 THR HA H 15 4.336 4.336 4.436 -0.100 19752 7187 1 11 . 1 1 15 15 THR C C 15 174.310 174.310 174.191 0.119 19752 7188 1 11 . 1 1 15 15 THR CA C 15 62.161 62.161 62.518 -0.357 19752 7189 1 11 . 1 1 15 15 THR CB C 15 69.603 69.603 68.640 0.963 19752 7190 1 11 . 1 1 15 15 THR H H 15 8.195 8.195 8.303 -0.108 19752 7191 1 11 . 1 1 16 16 VAL N N 16 123.406 123.406 130.125 -6.719 19752 7192 1 11 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.216 -0.114 19752 7193 1 11 . 1 1 16 16 VAL C C 16 175.934 175.934 175.702 0.232 19752 7194 1 11 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.821 0.691 19752 7195 1 11 . 1 1 16 16 VAL CB C 16 32.738 32.738 30.833 1.905 19752 7196 1 11 . 1 1 16 16 VAL H H 16 8.121 8.121 8.699 -0.578 19752 7197 1 11 . 1 1 17 17 VAL N N 17 125.445 125.445 124.698 0.747 19752 7198 1 11 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.477 0.608 19752 7199 1 11 . 1 1 17 17 VAL C C 17 176.102 176.102 176.055 0.047 19752 7200 1 11 . 1 1 17 17 VAL CA C 17 62.279 62.279 65.305 -3.026 19752 7201 1 11 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.110 1.567 19752 7202 1 11 . 1 1 17 17 VAL H H 17 8.293 8.293 8.672 -0.379 19752 7203 1 11 . 1 1 18 18 LYS N N 18 126.281 126.281 117.699 8.582 19752 7204 1 11 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.435 -0.093 19752 7205 1 11 . 1 1 18 18 LYS C C 18 176.138 176.138 174.871 1.267 19752 7206 1 11 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.194 0.011 19752 7207 1 11 . 1 1 18 18 LYS CB C 18 33.146 33.146 34.422 -1.276 19752 7208 1 11 . 1 1 18 18 LYS H H 18 8.478 8.478 8.107 0.371 19752 7209 1 11 . 1 1 19 19 ASP N N 19 121.904 121.904 118.102 3.802 19752 7210 1 11 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.739 -0.175 19752 7211 1 11 . 1 1 19 19 ASP C C 19 176.698 176.698 174.831 1.867 19752 7212 1 11 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.001 0.384 19752 7213 1 11 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.680 -1.457 19752 7214 1 11 . 1 1 19 19 ASP H H 19 8.379 8.379 7.985 0.394 19752 7215 1 11 . 1 1 20 20 GLY N N 20 109.177 109.177 109.893 -0.716 19752 7216 1 11 . 1 1 20 20 GLY C C 20 174.374 174.374 173.504 0.870 19752 7217 1 11 . 1 1 20 20 GLY CA C 20 45.638 45.638 46.395 -0.757 19752 7218 1 11 . 1 1 20 20 GLY H H 20 8.390 8.390 8.666 -0.276 19752 7219 1 11 . 1 1 21 21 LYS N N 21 120.814 120.814 121.000 -0.186 19752 7220 1 11 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.465 -0.076 19752 7221 1 11 . 1 1 21 21 LYS C C 21 177.041 177.041 177.029 0.012 19752 7222 1 11 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.412 0.164 19752 7223 1 11 . 1 1 21 21 LYS CB C 21 33.090 33.090 31.110 1.980 19752 7224 1 11 . 1 1 21 21 LYS H H 21 8.229 8.229 8.454 -0.225 19752 7225 1 11 . 1 1 22 22 THR N N 22 115.105 115.105 110.550 4.555 19752 7226 1 11 . 1 1 22 22 THR HA H 22 4.393 4.393 4.213 0.180 19752 7227 1 11 . 1 1 22 22 THR C C 22 174.607 174.607 174.926 -0.319 19752 7228 1 11 . 1 1 22 22 THR CA C 22 61.880 61.880 62.696 -0.816 19752 7229 1 11 . 1 1 22 22 THR CB C 22 69.736 69.736 68.958 0.778 19752 7230 1 11 . 1 1 22 22 THR H H 22 8.237 8.237 8.007 0.230 19752 7231 1 11 . 1 1 24 24 SER HA H 24 4.486 4.486 4.524 -0.038 19752 7232 1 11 . 1 1 24 24 SER C C 24 174.299 174.299 174.668 -0.369 19752 7233 1 11 . 1 1 24 24 SER CA C 24 58.547 58.547 57.776 0.771 19752 7234 1 11 . 1 1 24 24 SER CB C 24 63.787 63.787 63.668 0.119 19752 7235 1 11 . 1 1 25 25 ALA N N 25 125.891 125.891 123.446 2.445 19752 7236 1 11 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.120 0.256 19752 7237 1 11 . 1 1 25 25 ALA C C 25 177.660 177.660 177.171 0.489 19752 7238 1 11 . 1 1 25 25 ALA CA C 25 52.629 52.629 53.044 -0.415 19752 7239 1 11 . 1 1 25 25 ALA CB C 25 19.291 19.291 17.705 1.586 19752 7240 1 11 . 1 1 25 25 ALA H H 25 8.328 8.328 8.682 -0.354 19752 7241 1 11 . 1 1 26 26 SER N N 26 115.155 115.155 113.456 1.699 19752 7242 1 11 . 1 1 26 26 SER HA H 26 4.486 4.486 4.293 0.193 19752 7243 1 11 . 1 1 26 26 SER C C 26 174.291 174.291 174.918 -0.627 19752 7244 1 11 . 1 1 26 26 SER CA C 26 58.237 58.237 59.035 -0.798 19752 7245 1 11 . 1 1 26 26 SER CB C 26 63.917 63.917 63.494 0.423 19752 7246 1 11 . 1 1 26 26 SER H H 26 8.267 8.267 8.346 -0.079 19752 7247 1 11 . 1 1 27 27 THR N N 27 118.324 118.324 113.627 4.697 19752 7248 1 11 . 1 1 27 27 THR HA H 27 4.627 4.627 4.653 -0.026 19752 7249 1 11 . 1 1 27 27 THR C C 27 172.782 172.782 172.885 -0.103 19752 7250 1 11 . 1 1 27 27 THR CA C 27 59.748 59.748 58.940 0.808 19752 7251 1 11 . 1 1 27 27 THR CB C 27 69.702 69.702 69.254 0.448 19752 7252 1 11 . 1 1 27 27 THR H H 27 8.164 8.164 7.606 0.558 19752 7253 1 11 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.544 -0.141 19752 7254 1 11 . 1 1 28 28 PRO C C 28 176.630 176.630 175.976 0.654 19752 7255 1 11 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.738 0.512 19752 7256 1 11 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.631 0.534 19752 7257 1 11 . 1 1 29 29 ALA N N 29 124.263 124.263 123.867 0.396 19752 7258 1 11 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.267 0.082 19752 7259 1 11 . 1 1 29 29 ALA C C 29 177.974 177.974 177.796 0.178 19752 7260 1 11 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.928 -0.273 19752 7261 1 11 . 1 1 29 29 ALA CB C 29 19.277 19.277 18.128 1.149 19752 7262 1 11 . 1 1 29 29 ALA H H 29 8.432 8.432 7.821 0.611 19752 7263 1 11 . 1 1 30 30 THR N N 30 113.368 113.368 114.080 -0.712 19752 7264 1 11 . 1 1 30 30 THR HA H 30 4.281 4.281 3.888 0.393 19752 7265 1 11 . 1 1 30 30 THR C C 30 174.257 174.257 174.586 -0.329 19752 7266 1 11 . 1 1 30 30 THR CA C 30 61.656 61.656 64.398 -2.742 19752 7267 1 11 . 1 1 30 30 THR CB C 30 69.801 69.801 66.915 2.886 19752 7268 1 11 . 1 1 30 30 THR H H 30 8.106 8.106 8.631 -0.525 19752 7269 1 11 . 1 1 31 31 ARG N N 31 124.700 124.700 122.023 2.677 19752 7270 1 11 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.583 0.067 19752 7271 1 11 . 1 1 31 31 ARG C C 31 174.094 174.094 174.850 -0.756 19752 7272 1 11 . 1 1 31 31 ARG CA C 31 54.051 54.051 57.503 -3.452 19752 7273 1 11 . 1 1 31 31 ARG CB C 31 30.374 30.374 28.887 1.487 19752 7274 1 11 . 1 1 31 31 ARG H H 31 8.318 8.318 8.705 -0.387 19752 7275 1 11 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.656 -0.157 19752 7276 1 11 . 1 1 32 32 PRO C C 32 177.065 177.065 176.030 1.035 19752 7277 1 11 . 1 1 32 32 PRO CA C 32 63.060 63.060 61.916 1.144 19752 7278 1 11 . 1 1 32 32 PRO CB C 32 32.157 32.157 32.416 -0.259 19752 7279 1 11 . 1 1 33 33 VAL N N 33 120.890 120.890 122.544 -1.654 19752 7280 1 11 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.205 0.003 19752 7281 1 11 . 1 1 33 33 VAL C C 33 176.668 176.668 175.148 1.520 19752 7282 1 11 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.917 -0.309 19752 7283 1 11 . 1 1 33 33 VAL CB C 33 32.747 32.747 29.599 3.148 19752 7284 1 11 . 1 1 33 33 VAL H H 33 8.447 8.447 8.511 -0.064 19752 7285 1 11 . 1 1 34 34 THR N N 34 116.709 116.709 117.016 -0.307 19752 7286 1 11 . 1 1 34 34 THR HA H 34 4.377 4.377 4.679 -0.302 19752 7287 1 11 . 1 1 34 34 THR C C 34 174.791 174.791 174.947 -0.156 19752 7288 1 11 . 1 1 34 34 THR CA C 34 61.700 61.700 60.855 0.845 19752 7289 1 11 . 1 1 34 34 THR CB C 34 69.697 69.697 70.454 -0.757 19752 7290 1 11 . 1 1 34 34 THR H H 34 8.221 8.221 8.143 0.078 19752 7291 1 11 . 1 1 35 35 GLY N N 35 111.182 111.182 111.749 -0.567 19752 7292 1 11 . 1 1 35 35 GLY C C 35 173.940 173.940 175.495 -1.555 19752 7293 1 11 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.461 -0.805 19752 7294 1 11 . 1 1 35 35 GLY H H 35 8.376 8.376 8.375 0.001 19752 7295 1 11 . 1 1 36 36 SER N N 36 116.779 116.779 114.573 2.206 19752 7296 1 11 . 1 1 36 36 SER HA H 36 4.456 4.456 4.668 -0.212 19752 7297 1 11 . 1 1 36 36 SER C C 36 173.880 173.880 173.510 0.370 19752 7298 1 11 . 1 1 36 36 SER CA C 36 58.255 58.255 56.961 1.294 19752 7299 1 11 . 1 1 36 36 SER CB C 36 64.195 64.195 63.890 0.305 19752 7300 1 11 . 1 1 36 36 SER H H 36 8.456 8.456 8.007 0.449 19752 7301 1 11 . 1 1 37 37 TRP N N 37 121.744 121.744 123.447 -1.703 19752 7302 1 11 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.772 -0.244 19752 7303 1 11 . 1 1 37 37 TRP C C 37 176.500 176.500 176.434 0.066 19752 7304 1 11 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.978 1.112 19752 7305 1 11 . 1 1 37 37 TRP CB C 37 31.007 31.007 29.904 1.103 19752 7306 1 11 . 1 1 37 37 TRP H H 37 8.171 8.171 7.807 0.364 19752 7307 1 11 . 1 1 38 38 LYS N N 38 123.158 123.158 125.928 -2.770 19752 7308 1 11 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.789 -0.163 19752 7309 1 11 . 1 1 38 38 LYS C C 38 172.839 172.839 174.566 -1.727 19752 7310 1 11 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.887 1.269 19752 7311 1 11 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.849 0.807 19752 7312 1 11 . 1 1 38 38 LYS H H 38 8.736 8.736 9.061 -0.325 19752 7313 1 11 . 1 1 39 39 LYS N N 39 121.526 121.526 125.391 -3.865 19752 7314 1 11 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.216 0.524 19752 7315 1 11 . 1 1 39 39 LYS C C 39 177.510 177.510 176.232 1.278 19752 7316 1 11 . 1 1 39 39 LYS CA C 39 54.316 54.316 56.108 -1.792 19752 7317 1 11 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.074 0.283 19752 7318 1 11 . 1 1 39 39 LYS H H 39 8.123 8.123 8.392 -0.269 19752 7319 1 11 . 1 1 40 40 ASN N N 40 123.988 123.988 123.801 0.187 19752 7320 1 11 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.997 0.059 19752 7321 1 11 . 1 1 40 40 ASN C C 40 177.524 177.524 176.594 0.930 19752 7322 1 11 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.197 -1.357 19752 7323 1 11 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.806 -1.650 19752 7324 1 11 . 1 1 40 40 ASN H H 40 8.583 8.583 9.100 -0.517 19752 7325 1 11 . 1 1 41 41 GLN N N 41 116.529 116.529 119.268 -2.739 19752 7326 1 11 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.006 0.054 19752 7327 1 11 . 1 1 41 41 GLN C C 41 175.829 175.829 176.832 -1.003 19752 7328 1 11 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.998 -0.237 19752 7329 1 11 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.279 -0.332 19752 7330 1 11 . 1 1 41 41 GLN H H 41 8.856 8.856 8.958 -0.102 19752 7331 1 11 . 1 1 42 42 TYR N N 42 119.255 119.255 117.156 2.099 19752 7332 1 11 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.435 0.216 19752 7333 1 11 . 1 1 42 42 TYR C C 42 175.782 175.782 176.633 -0.851 19752 7334 1 11 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.299 -1.179 19752 7335 1 11 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.564 -0.446 19752 7336 1 11 . 1 1 42 42 TYR H H 42 7.604 7.604 7.508 0.096 19752 7337 1 11 . 1 1 43 43 GLY N N 43 106.354 106.354 108.054 -1.700 19752 7338 1 11 . 1 1 43 43 GLY C C 43 173.297 173.297 174.055 -0.758 19752 7339 1 11 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.403 -0.240 19752 7340 1 11 . 1 1 43 43 GLY H H 43 7.993 7.993 7.948 0.045 19752 7341 1 11 . 1 1 44 44 THR N N 44 120.062 120.062 115.235 4.827 19752 7342 1 11 . 1 1 44 44 THR HA H 44 4.176 4.176 4.511 -0.335 19752 7343 1 11 . 1 1 44 44 THR C C 44 173.969 173.969 173.604 0.365 19752 7344 1 11 . 1 1 44 44 THR CA C 44 62.132 62.132 62.944 -0.812 19752 7345 1 11 . 1 1 44 44 THR CB C 44 68.989 68.989 70.244 -1.255 19752 7346 1 11 . 1 1 44 44 THR H H 44 7.781 7.781 7.168 0.613 19752 7347 1 11 . 1 1 45 45 TRP N N 45 129.666 129.666 126.421 3.245 19752 7348 1 11 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.218 0.458 19752 7349 1 11 . 1 1 45 45 TRP C C 45 175.999 175.999 175.724 0.275 19752 7350 1 11 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.747 -0.141 19752 7351 1 11 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.657 -0.016 19752 7352 1 11 . 1 1 45 45 TRP H H 45 8.041 8.041 8.569 -0.528 19752 7353 1 11 . 1 1 46 46 TYR N N 46 122.938 122.938 119.174 3.764 19752 7354 1 11 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.212 0.126 19752 7355 1 11 . 1 1 46 46 TYR C C 46 173.663 173.663 173.629 0.034 19752 7356 1 11 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.309 0.998 19752 7357 1 11 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.607 1.518 19752 7358 1 11 . 1 1 46 46 TYR H H 46 10.329 10.329 9.606 0.723 19752 7359 1 11 . 1 1 47 47 LYS N N 47 118.986 118.986 118.563 0.423 19752 7360 1 11 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.028 -0.257 19752 7361 1 11 . 1 1 47 47 LYS C C 47 172.462 172.462 174.020 -1.558 19752 7362 1 11 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.657 1.055 19752 7363 1 11 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.287 -0.169 19752 7364 1 11 . 1 1 47 47 LYS H H 47 8.923 8.923 9.280 -0.357 19752 7365 1 11 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.971 -0.169 19752 7366 1 11 . 1 1 48 48 PRO C C 48 176.747 176.747 175.998 0.749 19752 7367 1 11 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.865 -0.200 19752 7368 1 11 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.613 0.426 19752 7369 1 11 . 1 1 49 49 GLU N N 49 125.285 125.285 124.458 0.827 19752 7370 1 11 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.462 -0.474 19752 7371 1 11 . 1 1 49 49 GLU C C 49 170.927 170.927 174.609 -3.682 19752 7372 1 11 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.559 2.311 19752 7373 1 11 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.888 0.342 19752 7374 1 11 . 1 1 49 49 GLU H H 49 7.771 7.771 7.957 -0.186 19752 7375 1 11 . 1 1 50 50 ASN N N 50 122.328 122.328 124.636 -2.308 19752 7376 1 11 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.438 -0.040 19752 7377 1 11 . 1 1 50 50 ASN C C 50 173.648 173.648 174.271 -0.623 19752 7378 1 11 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.781 -1.095 19752 7379 1 11 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.033 0.613 19752 7380 1 11 . 1 1 50 50 ASN H H 50 8.148 8.148 8.675 -0.527 19752 7381 1 11 . 1 1 51 51 ALA N N 51 126.527 126.527 128.526 -1.999 19752 7382 1 11 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.609 -0.156 19752 7383 1 11 . 1 1 51 51 ALA C C 51 172.872 172.872 174.540 -1.668 19752 7384 1 11 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.925 0.672 19752 7385 1 11 . 1 1 51 51 ALA CB C 51 19.670 19.670 21.914 -2.244 19752 7386 1 11 . 1 1 51 51 ALA H H 51 7.085 7.085 8.247 -1.162 19752 7387 1 11 . 1 1 52 52 THR N N 52 112.831 112.831 114.359 -1.528 19752 7388 1 11 . 1 1 52 52 THR HA H 52 5.167 5.167 5.088 0.079 19752 7389 1 11 . 1 1 52 52 THR C C 52 172.852 172.852 173.083 -0.231 19752 7390 1 11 . 1 1 52 52 THR CA C 52 62.232 62.232 61.951 0.281 19752 7391 1 11 . 1 1 52 52 THR CB C 52 71.068 71.068 70.407 0.661 19752 7392 1 11 . 1 1 52 52 THR H H 52 8.036 8.036 7.941 0.095 19752 7393 1 11 . 1 1 53 53 PHE N N 53 127.883 127.883 125.974 1.909 19752 7394 1 11 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.375 -0.053 19752 7395 1 11 . 1 1 53 53 PHE C C 53 172.928 172.928 172.802 0.126 19752 7396 1 11 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.947 -0.672 19752 7397 1 11 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.352 -0.147 19752 7398 1 11 . 1 1 53 53 PHE H H 53 9.714 9.714 9.484 0.230 19752 7399 1 11 . 1 1 54 54 VAL N N 54 127.284 127.284 127.252 0.032 19752 7400 1 11 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.476 -0.156 19752 7401 1 11 . 1 1 54 54 VAL C C 54 175.842 175.842 173.887 1.955 19752 7402 1 11 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.124 0.028 19752 7403 1 11 . 1 1 54 54 VAL CB C 54 31.738 31.738 33.515 -1.777 19752 7404 1 11 . 1 1 54 54 VAL H H 54 8.583 8.583 8.623 -0.040 19752 7405 1 11 . 1 1 55 55 ASN N N 55 125.723 125.723 124.889 0.834 19752 7406 1 11 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.191 -0.031 19752 7407 1 11 . 1 1 55 55 ASN C C 55 176.333 176.333 174.974 1.359 19752 7408 1 11 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.473 0.116 19752 7409 1 11 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.395 -0.750 19752 7410 1 11 . 1 1 55 55 ASN H H 55 8.970 8.970 8.290 0.680 19752 7411 1 11 . 1 1 56 56 GLY N N 56 114.389 114.389 114.908 -0.519 19752 7412 1 11 . 1 1 56 56 GLY C C 56 173.882 173.882 175.016 -1.134 19752 7413 1 11 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.011 -1.335 19752 7414 1 11 . 1 1 56 56 GLY H H 56 8.360 8.360 8.799 -0.439 19752 7415 1 11 . 1 1 57 57 ASN N N 57 115.511 115.511 118.968 -3.457 19752 7416 1 11 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.649 -0.138 19752 7417 1 11 . 1 1 57 57 ASN C C 57 174.741 174.741 175.543 -0.802 19752 7418 1 11 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.830 0.383 19752 7419 1 11 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.075 -0.446 19752 7420 1 11 . 1 1 57 57 ASN H H 57 8.149 8.149 8.010 0.139 19752 7421 1 11 . 1 1 58 58 GLN N N 58 118.128 118.128 119.855 -1.727 19752 7422 1 11 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.715 0.245 19752 7423 1 11 . 1 1 58 58 GLN C C 58 172.603 172.603 173.878 -1.275 19752 7424 1 11 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.785 -0.152 19752 7425 1 11 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.489 1.079 19752 7426 1 11 . 1 1 58 58 GLN H H 58 7.702 7.702 8.146 -0.444 19752 7427 1 11 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.615 0.325 19752 7428 1 11 . 1 1 59 59 PRO C C 59 176.506 176.506 176.259 0.247 19752 7429 1 11 . 1 1 59 59 PRO CA C 59 62.256 62.256 63.126 -0.870 19752 7430 1 11 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.084 0.576 19752 7431 1 11 . 1 1 60 60 ILE N N 60 120.974 120.974 126.367 -5.393 19752 7432 1 11 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.211 0.063 19752 7433 1 11 . 1 1 60 60 ILE C C 60 175.190 175.190 175.456 -0.266 19752 7434 1 11 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.255 0.432 19752 7435 1 11 . 1 1 60 60 ILE CB C 60 42.745 42.745 39.703 3.042 19752 7436 1 11 . 1 1 60 60 ILE H H 60 8.126 8.126 8.867 -0.741 19752 7437 1 11 . 1 1 61 61 VAL N N 61 128.224 128.224 124.969 3.255 19752 7438 1 11 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.445 -0.332 19752 7439 1 11 . 1 1 61 61 VAL C C 61 175.973 175.973 175.864 0.109 19752 7440 1 11 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.613 2.663 19752 7441 1 11 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.225 -0.295 19752 7442 1 11 . 1 1 61 61 VAL H H 61 8.421 8.421 8.520 -0.099 19752 7443 1 11 . 1 1 62 62 THR N N 62 118.454 118.454 117.789 0.665 19752 7444 1 11 . 1 1 62 62 THR HA H 62 5.021 5.021 4.787 0.234 19752 7445 1 11 . 1 1 62 62 THR C C 62 174.936 174.936 174.140 0.796 19752 7446 1 11 . 1 1 62 62 THR CA C 62 61.286 61.286 60.404 0.881 19752 7447 1 11 . 1 1 62 62 THR CB C 62 71.133 71.133 72.349 -1.216 19752 7448 1 11 . 1 1 62 62 THR H H 62 7.989 7.989 8.836 -0.847 19752 7449 1 11 . 1 1 63 63 ARG N N 63 118.225 118.225 118.626 -0.401 19752 7450 1 11 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.260 0.169 19752 7451 1 11 . 1 1 63 63 ARG C C 63 175.607 175.607 175.010 0.597 19752 7452 1 11 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.493 -0.846 19752 7453 1 11 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.729 -0.126 19752 7454 1 11 . 1 1 63 63 ARG H H 63 9.336 9.336 9.081 0.255 19752 7455 1 11 . 1 1 64 64 ILE N N 64 119.746 119.746 120.770 -1.024 19752 7456 1 11 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.357 0.108 19752 7457 1 11 . 1 1 64 64 ILE C C 64 179.206 179.206 177.093 2.113 19752 7458 1 11 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.917 -0.728 19752 7459 1 11 . 1 1 64 64 ILE CB C 64 38.248 38.248 39.568 -1.320 19752 7460 1 11 . 1 1 64 64 ILE H H 64 8.741 8.741 8.396 0.345 19752 7461 1 11 . 1 1 65 65 GLY N N 65 116.059 116.059 115.995 0.064 19752 7462 1 11 . 1 1 65 65 GLY C C 65 174.185 174.185 173.623 0.562 19752 7463 1 11 . 1 1 65 65 GLY CA C 65 47.671 47.671 45.829 1.842 19752 7464 1 11 . 1 1 65 65 GLY H H 65 9.316 9.316 9.286 0.030 19752 7465 1 11 . 1 1 66 66 SER N N 66 114.840 114.840 114.677 0.163 19752 7466 1 11 . 1 1 66 66 SER HA H 66 4.160 4.160 4.203 -0.043 19752 7467 1 11 . 1 1 66 66 SER C C 66 170.281 170.281 171.457 -1.176 19752 7468 1 11 . 1 1 66 66 SER CA C 66 56.207 56.207 55.454 0.753 19752 7469 1 11 . 1 1 66 66 SER CB C 66 63.737 63.737 65.193 -1.456 19752 7470 1 11 . 1 1 66 66 SER H H 66 7.412 7.412 7.535 -0.123 19752 7471 1 11 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.655 -1.016 19752 7472 1 11 . 1 1 67 67 PRO C C 67 170.030 170.030 174.056 -4.026 19752 7473 1 11 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.708 -2.038 19752 7474 1 11 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.009 -5.099 19752 7475 1 11 . 1 1 68 68 PHE N N 68 111.778 111.778 119.035 -7.257 19752 7476 1 11 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.366 0.127 19752 7477 1 11 . 1 1 68 68 PHE C C 68 177.055 177.055 174.113 2.942 19752 7478 1 11 . 1 1 68 68 PHE CA C 68 55.628 55.628 57.005 -1.377 19752 7479 1 11 . 1 1 68 68 PHE CB C 68 43.358 43.358 40.585 2.773 19752 7480 1 11 . 1 1 68 68 PHE H H 68 6.610 6.610 6.931 -0.321 19752 7481 1 11 . 1 1 69 69 LEU N N 69 119.491 119.491 121.277 -1.786 19752 7482 1 11 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.617 -0.304 19752 7483 1 11 . 1 1 69 69 LEU C C 69 176.326 176.326 178.432 -2.106 19752 7484 1 11 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.349 -1.118 19752 7485 1 11 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.955 -1.085 19752 7486 1 11 . 1 1 69 69 LEU H H 69 8.388 8.388 8.435 -0.047 19752 7487 1 11 . 1 1 70 70 ASN N N 70 112.229 112.229 117.694 -5.465 19752 7488 1 11 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.645 0.197 19752 7489 1 11 . 1 1 70 70 ASN C C 70 175.620 175.620 174.861 0.759 19752 7490 1 11 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.753 -1.085 19752 7491 1 11 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.434 -0.782 19752 7492 1 11 . 1 1 70 70 ASN H H 70 7.675 7.675 8.341 -0.666 19752 7493 1 11 . 1 1 71 71 ALA N N 71 123.955 123.955 122.838 1.117 19752 7494 1 11 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.270 0.289 19752 7495 1 11 . 1 1 71 71 ALA C C 71 174.274 174.274 175.344 -1.070 19752 7496 1 11 . 1 1 71 71 ALA CA C 71 51.470 51.470 51.088 0.382 19752 7497 1 11 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.042 -0.199 19752 7498 1 11 . 1 1 71 71 ALA H H 71 7.152 7.152 7.578 -0.426 19752 7499 1 11 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.269 0.144 19752 7500 1 11 . 1 1 72 72 PRO C C 72 176.342 176.342 176.183 0.159 19752 7501 1 11 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.678 -0.559 19752 7502 1 11 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.813 0.343 19752 7503 1 11 . 1 1 73 73 VAL N N 73 121.078 121.078 118.994 2.084 19752 7504 1 11 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.269 0.015 19752 7505 1 11 . 1 1 73 73 VAL C C 73 177.864 177.864 177.204 0.660 19752 7506 1 11 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.439 2.838 19752 7507 1 11 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.757 -1.032 19752 7508 1 11 . 1 1 73 73 VAL H H 73 8.328 8.328 8.198 0.130 19752 7509 1 11 . 1 1 74 74 GLY N N 74 114.118 114.118 108.822 5.296 19752 7510 1 11 . 1 1 74 74 GLY C C 74 173.963 173.963 173.961 0.002 19752 7511 1 11 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.699 0.086 19752 7512 1 11 . 1 1 74 74 GLY H H 74 8.781 8.781 8.849 -0.068 19752 7513 1 11 . 1 1 75 75 GLY N N 75 107.324 107.324 109.327 -2.003 19752 7514 1 11 . 1 1 75 75 GLY C C 75 173.460 173.460 172.262 1.198 19752 7515 1 11 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.388 -0.640 19752 7516 1 11 . 1 1 75 75 GLY H H 75 7.278 7.278 7.916 -0.638 19752 7517 1 11 . 1 1 76 76 ASN N N 76 119.682 119.682 123.625 -3.943 19752 7518 1 11 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.097 0.325 19752 7519 1 11 . 1 1 76 76 ASN C C 76 175.760 175.760 174.081 1.679 19752 7520 1 11 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.942 -0.665 19752 7521 1 11 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.629 -2.416 19752 7522 1 11 . 1 1 76 76 ASN H H 76 8.797 8.797 8.748 0.049 19752 7523 1 11 . 1 1 77 77 LEU N N 77 129.545 129.545 126.797 2.748 19752 7524 1 11 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.003 -0.132 19752 7525 1 11 . 1 1 77 77 LEU C C 77 174.374 174.374 174.183 0.191 19752 7526 1 11 . 1 1 77 77 LEU CA C 77 52.214 52.214 50.969 1.245 19752 7527 1 11 . 1 1 77 77 LEU CB C 77 43.071 43.071 44.244 -1.173 19752 7528 1 11 . 1 1 77 77 LEU H H 77 10.083 10.083 9.050 1.033 19752 7529 1 11 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.505 -0.176 19752 7530 1 11 . 1 1 78 78 PRO C C 78 177.553 177.553 176.079 1.474 19752 7531 1 11 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.110 0.471 19752 7532 1 11 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.680 0.041 19752 7533 1 11 . 1 1 79 79 ALA N N 79 125.294 125.294 123.040 2.254 19752 7534 1 11 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.011 0.249 19752 7535 1 11 . 1 1 79 79 ALA C C 79 179.984 179.984 177.965 2.019 19752 7536 1 11 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.167 1.011 19752 7537 1 11 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.053 -0.807 19752 7538 1 11 . 1 1 79 79 ALA H H 79 8.585 8.585 8.204 0.381 19752 7539 1 11 . 1 1 80 80 GLY N N 80 110.970 110.970 111.459 -0.489 19752 7540 1 11 . 1 1 80 80 GLY C C 80 173.499 173.499 174.038 -0.539 19752 7541 1 11 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.793 1.161 19752 7542 1 11 . 1 1 80 80 GLY H H 80 8.004 8.004 8.390 -0.386 19752 7543 1 11 . 1 1 81 81 ALA N N 81 122.249 122.249 123.727 -1.478 19752 7544 1 11 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.303 -0.052 19752 7545 1 11 . 1 1 81 81 ALA C C 81 175.709 175.709 176.088 -0.379 19752 7546 1 11 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.739 0.027 19752 7547 1 11 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.384 1.469 19752 7548 1 11 . 1 1 81 81 ALA H H 81 7.363 7.363 7.297 0.066 19752 7549 1 11 . 1 1 82 82 THR N N 82 114.980 114.980 119.627 -4.647 19752 7550 1 11 . 1 1 82 82 THR HA H 82 5.171 5.171 5.052 0.119 19752 7551 1 11 . 1 1 82 82 THR C C 82 174.618 174.618 173.829 0.789 19752 7552 1 11 . 1 1 82 82 THR CA C 82 62.118 62.118 62.086 0.032 19752 7553 1 11 . 1 1 82 82 THR CB C 82 70.555 70.555 69.473 1.082 19752 7554 1 11 . 1 1 82 82 THR H H 82 8.181 8.181 8.199 -0.018 19752 7555 1 11 . 1 1 83 83 ILE N N 83 127.480 127.480 128.606 -1.126 19752 7556 1 11 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.374 0.030 19752 7557 1 11 . 1 1 83 83 ILE C C 83 173.926 173.926 174.046 -0.120 19752 7558 1 11 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.867 -0.528 19752 7559 1 11 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.953 0.275 19752 7560 1 11 . 1 1 83 83 ILE H H 83 9.627 9.627 9.212 0.415 19752 7561 1 11 . 1 1 84 84 VAL N N 84 128.246 128.246 127.241 1.005 19752 7562 1 11 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.507 0.166 19752 7563 1 11 . 1 1 84 84 VAL C C 84 175.501 175.501 175.142 0.359 19752 7564 1 11 . 1 1 84 84 VAL CA C 84 62.135 62.135 59.995 2.140 19752 7565 1 11 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.516 -0.860 19752 7566 1 11 . 1 1 84 84 VAL H H 84 8.059 8.059 8.383 -0.324 19752 7567 1 11 . 1 1 85 85 TYR N N 85 126.862 126.862 125.720 1.142 19752 7568 1 11 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.822 0.603 19752 7569 1 11 . 1 1 85 85 TYR C C 85 174.273 174.273 174.465 -0.192 19752 7570 1 11 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.757 0.055 19752 7571 1 11 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.224 2.052 19752 7572 1 11 . 1 1 85 85 TYR H H 85 8.840 8.840 8.712 0.128 19752 7573 1 11 . 1 1 86 86 ASP N N 86 115.086 115.086 116.666 -1.580 19752 7574 1 11 . 1 1 86 86 ASP HA H 86 5.468 5.468 5.113 0.355 19752 7575 1 11 . 1 1 86 86 ASP C C 86 177.943 177.943 175.902 2.041 19752 7576 1 11 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.031 1.172 19752 7577 1 11 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.795 0.779 19752 7578 1 11 . 1 1 86 86 ASP H H 86 8.843 8.843 8.629 0.214 19752 7579 1 11 . 1 1 87 87 GLU N N 87 124.208 124.208 119.208 5.000 19752 7580 1 11 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.244 -0.129 19752 7581 1 11 . 1 1 87 87 GLU C C 87 173.613 173.613 174.352 -0.739 19752 7582 1 11 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.860 -0.088 19752 7583 1 11 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.569 1.938 19752 7584 1 11 . 1 1 87 87 GLU H H 87 8.121 8.121 7.772 0.349 19752 7585 1 11 . 1 1 88 88 VAL N N 88 121.754 121.754 125.887 -4.133 19752 7586 1 11 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.882 0.832 19752 7587 1 11 . 1 1 88 88 VAL C C 88 175.480 175.480 174.828 0.652 19752 7588 1 11 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.502 -0.732 19752 7589 1 11 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.188 1.456 19752 7590 1 11 . 1 1 88 88 VAL H H 88 8.822 8.822 9.196 -0.374 19752 7591 1 11 . 1 1 89 89 CYS N N 89 118.234 118.234 124.827 -6.593 19752 7592 1 11 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.179 0.120 19752 7593 1 11 . 1 1 89 89 CYS C C 89 174.126 174.126 173.665 0.461 19752 7594 1 11 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.725 0.360 19752 7595 1 11 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.603 1.501 19752 7596 1 11 . 1 1 89 89 CYS H H 89 9.404 9.404 9.600 -0.196 19752 7597 1 11 . 1 1 90 90 ILE N N 90 122.085 122.085 123.276 -1.191 19752 7598 1 11 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.430 0.803 19752 7599 1 11 . 1 1 90 90 ILE C C 90 176.210 176.210 174.524 1.686 19752 7600 1 11 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.988 0.571 19752 7601 1 11 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.773 2.716 19752 7602 1 11 . 1 1 90 90 ILE H H 90 9.773 9.773 9.241 0.532 19752 7603 1 11 . 1 1 91 91 GLN N N 91 125.884 125.884 127.549 -1.665 19752 7604 1 11 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.726 -0.107 19752 7605 1 11 . 1 1 91 91 GLN C C 91 176.019 176.019 174.367 1.652 19752 7606 1 11 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.446 1.776 19752 7607 1 11 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.112 -0.919 19752 7608 1 11 . 1 1 91 91 GLN H H 91 8.910 8.910 8.215 0.695 19752 7609 1 11 . 1 1 92 92 ALA N N 92 131.300 131.300 130.083 1.217 19752 7610 1 11 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.058 0.466 19752 7611 1 11 . 1 1 92 92 ALA C C 92 178.514 178.514 177.346 1.168 19752 7612 1 11 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.858 -0.391 19752 7613 1 11 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.630 0.639 19752 7614 1 11 . 1 1 92 92 ALA H H 92 9.888 9.888 8.916 0.972 19752 7615 1 11 . 1 1 93 93 GLY N N 93 107.622 107.622 113.241 -5.619 19752 7616 1 11 . 1 1 93 93 GLY C C 93 174.796 174.796 173.489 1.307 19752 7617 1 11 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.981 1.488 19752 7618 1 11 . 1 1 93 93 GLY H H 93 9.675 9.675 8.592 1.083 19752 7619 1 11 . 1 1 94 94 HIS N N 94 118.233 118.233 119.502 -1.269 19752 7620 1 11 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.211 -0.385 19752 7621 1 11 . 1 1 94 94 HIS C C 94 173.575 173.575 172.716 0.859 19752 7622 1 11 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.644 0.576 19752 7623 1 11 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.160 -2.427 19752 7624 1 11 . 1 1 94 94 HIS H H 94 8.337 8.337 8.521 -0.184 19752 7625 1 11 . 1 1 95 95 ILE N N 95 118.964 118.964 121.258 -2.294 19752 7626 1 11 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.533 0.678 19752 7627 1 11 . 1 1 95 95 ILE C C 95 174.555 174.555 173.720 0.835 19752 7628 1 11 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.705 1.277 19752 7629 1 11 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.125 -1.342 19752 7630 1 11 . 1 1 95 95 ILE H H 95 8.116 8.116 8.066 0.050 19752 7631 1 11 . 1 1 96 96 TRP N N 96 127.092 127.092 129.522 -2.430 19752 7632 1 11 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.551 -0.074 19752 7633 1 11 . 1 1 96 96 TRP C C 96 176.216 176.216 176.957 -0.741 19752 7634 1 11 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.097 -0.854 19752 7635 1 11 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.048 0.720 19752 7636 1 11 . 1 1 96 96 TRP H H 96 9.869 9.869 9.221 0.648 19752 7637 1 11 . 1 1 97 97 ILE N N 97 113.283 113.283 120.233 -6.950 19752 7638 1 11 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.115 0.357 19752 7639 1 11 . 1 1 97 97 ILE C C 97 175.278 175.278 175.281 -0.003 19752 7640 1 11 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.208 -0.024 19752 7641 1 11 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.456 0.193 19752 7642 1 11 . 1 1 97 97 ILE H H 97 8.893 8.893 9.245 -0.352 19752 7643 1 11 . 1 1 98 98 GLY N N 98 109.684 109.684 113.616 -3.932 19752 7644 1 11 . 1 1 98 98 GLY C C 98 172.048 172.048 172.404 -0.356 19752 7645 1 11 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.560 1.560 19752 7646 1 11 . 1 1 98 98 GLY H H 98 9.043 9.043 9.183 -0.140 19752 7647 1 11 . 1 1 99 99 TYR N N 99 117.809 117.809 121.312 -3.503 19752 7648 1 11 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.169 -0.261 19752 7649 1 11 . 1 1 99 99 TYR C C 99 172.626 172.626 173.525 -0.899 19752 7650 1 11 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.568 1.691 19752 7651 1 11 . 1 1 99 99 TYR CB C 99 40.147 40.147 41.123 -0.976 19752 7652 1 11 . 1 1 99 99 TYR H H 99 8.434 8.434 8.772 -0.338 19752 7653 1 11 . 1 1 100 100 ASN N N 100 117.139 117.139 121.877 -4.738 19752 7654 1 11 . 1 1 100 100 ASN HA H 100 5.286 5.286 4.942 0.344 19752 7655 1 11 . 1 1 100 100 ASN C C 100 175.315 175.315 174.892 0.423 19752 7656 1 11 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.054 -0.068 19752 7657 1 11 . 1 1 100 100 ASN CB C 100 39.375 39.375 39.489 -0.114 19752 7658 1 11 . 1 1 100 100 ASN H H 100 8.844 8.844 8.624 0.220 19752 7659 1 11 . 1 1 101 101 ALA N N 101 126.218 126.218 129.353 -3.135 19752 7660 1 11 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.642 -0.005 19752 7661 1 11 . 1 1 101 101 ALA C C 101 179.095 179.095 178.787 0.308 19752 7662 1 11 . 1 1 101 101 ALA CA C 101 51.212 51.212 51.386 -0.174 19752 7663 1 11 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.145 0.497 19752 7664 1 11 . 1 1 101 101 ALA H H 101 8.870 8.870 8.832 0.038 19752 7665 1 11 . 1 1 102 102 TYR N N 102 121.067 121.067 120.836 0.231 19752 7666 1 11 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.169 0.170 19752 7667 1 11 . 1 1 102 102 TYR C C 102 175.986 175.986 176.242 -0.256 19752 7668 1 11 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.674 -0.530 19752 7669 1 11 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.759 -0.106 19752 7670 1 11 . 1 1 102 102 TYR H H 102 8.720 8.720 8.857 -0.137 19752 7671 1 11 . 1 1 103 103 ASN N N 103 115.289 115.289 117.974 -2.685 19752 7672 1 11 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.608 -0.196 19752 7673 1 11 . 1 1 103 103 ASN C C 103 175.963 175.963 175.847 0.116 19752 7674 1 11 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.707 -0.461 19752 7675 1 11 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.460 -1.215 19752 7676 1 11 . 1 1 103 103 ASN H H 103 7.490 7.490 7.278 0.212 19752 7677 1 11 . 1 1 104 104 GLY N N 104 107.204 107.204 106.164 1.040 19752 7678 1 11 . 1 1 104 104 GLY C C 104 174.620 174.620 173.419 1.201 19752 7679 1 11 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.066 0.062 19752 7680 1 11 . 1 1 104 104 GLY H H 104 8.020 8.020 8.206 -0.186 19752 7681 1 11 . 1 1 105 105 ASN N N 105 118.581 118.581 118.059 0.522 19752 7682 1 11 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.690 -0.114 19752 7683 1 11 . 1 1 105 105 ASN C C 105 173.805 173.805 173.948 -0.143 19752 7684 1 11 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.679 0.351 19752 7685 1 11 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.604 -0.620 19752 7686 1 11 . 1 1 105 105 ASN H H 105 7.703 7.703 7.579 0.124 19752 7687 1 11 . 1 1 106 106 ARG N N 106 123.191 123.191 124.038 -0.847 19752 7688 1 11 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.474 0.090 19752 7689 1 11 . 1 1 106 106 ARG C C 106 174.360 174.360 174.889 -0.529 19752 7690 1 11 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.334 -0.672 19752 7691 1 11 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.989 0.618 19752 7692 1 11 . 1 1 106 106 ARG H H 106 8.635 8.635 8.651 -0.016 19752 7693 1 11 . 1 1 107 107 VAL N N 107 128.482 128.482 126.819 1.663 19752 7694 1 11 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.526 0.027 19752 7695 1 11 . 1 1 107 107 VAL C C 107 172.290 172.290 174.104 -1.814 19752 7696 1 11 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.496 0.188 19752 7697 1 11 . 1 1 107 107 VAL CB C 107 34.477 34.477 32.640 1.837 19752 7698 1 11 . 1 1 107 107 VAL H H 107 8.668 8.668 8.598 0.070 19752 7699 1 11 . 1 1 108 108 TYR N N 108 119.055 119.055 125.304 -6.249 19752 7700 1 11 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.553 -0.059 19752 7701 1 11 . 1 1 108 108 TYR C C 108 175.215 175.215 175.124 0.091 19752 7702 1 11 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.310 0.262 19752 7703 1 11 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.237 1.198 19752 7704 1 11 . 1 1 108 108 TYR H H 108 8.944 8.944 9.315 -0.371 19752 7705 1 11 . 1 1 109 109 CYS N N 109 124.377 124.377 122.213 2.164 19752 7706 1 11 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.111 0.334 19752 7707 1 11 . 1 1 109 109 CYS C C 109 171.899 171.899 173.633 -1.734 19752 7708 1 11 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.470 -1.305 19752 7709 1 11 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.442 -1.639 19752 7710 1 11 . 1 1 109 109 CYS H H 109 9.675 9.675 9.172 0.503 19752 7711 1 11 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.032 1.147 19752 7712 1 11 . 1 1 110 110 PRO C C 110 175.490 175.490 177.291 -1.801 19752 7713 1 11 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.914 -1.316 19752 7714 1 11 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.870 -1.415 19752 7715 1 11 . 1 1 111 111 VAL N N 111 109.293 109.293 110.956 -1.663 19752 7716 1 11 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.464 0.945 19752 7717 1 11 . 1 1 111 111 VAL C C 111 173.598 173.598 174.077 -0.479 19752 7718 1 11 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.932 -3.839 19752 7719 1 11 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.173 3.348 19752 7720 1 11 . 1 1 111 111 VAL H H 111 8.382 8.382 7.357 1.025 19752 7721 1 11 . 1 1 112 112 ARG N N 112 110.825 110.825 116.352 -5.527 19752 7722 1 11 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.670 -1.512 19752 7723 1 11 . 1 1 112 112 ARG C C 112 175.480 175.480 175.124 0.356 19752 7724 1 11 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.554 0.895 19752 7725 1 11 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.404 -1.258 19752 7726 1 11 . 1 1 112 112 ARG H H 112 6.735 6.735 7.984 -1.249 19752 7727 1 11 . 1 1 113 113 THR N N 113 111.002 111.002 120.160 -9.158 19752 7728 1 11 . 1 1 113 113 THR HA H 113 4.238 4.238 4.260 -0.022 19752 7729 1 11 . 1 1 113 113 THR C C 113 174.123 174.123 173.885 0.238 19752 7730 1 11 . 1 1 113 113 THR CA C 113 62.468 62.468 64.598 -2.130 19752 7731 1 11 . 1 1 113 113 THR CB C 113 70.502 70.502 69.252 1.250 19752 7732 1 11 . 1 1 113 113 THR H H 113 8.898 8.898 7.747 1.151 19752 7733 1 11 . 1 1 114 114 CYS N N 114 119.522 119.522 125.280 -5.758 19752 7734 1 11 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.677 -1.162 19752 7735 1 11 . 1 1 114 114 CYS C C 114 172.669 172.669 173.264 -0.595 19752 7736 1 11 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.422 2.195 19752 7737 1 11 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.995 -1.450 19752 7738 1 11 . 1 1 114 114 CYS H H 114 7.936 7.936 8.654 -0.718 19752 7739 1 11 . 1 1 115 115 GLN N N 115 129.342 129.342 123.949 5.393 19752 7740 1 11 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.588 0.040 19752 7741 1 11 . 1 1 115 115 GLN C C 115 175.456 175.456 174.674 0.782 19752 7742 1 11 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.832 -0.590 19752 7743 1 11 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.717 -0.541 19752 7744 1 11 . 1 1 115 115 GLN H H 115 7.963 7.963 8.241 -0.278 19752 7745 1 11 . 1 1 116 116 GLY N N 116 112.311 112.311 109.228 3.083 19752 7746 1 11 . 1 1 116 116 GLY C C 116 171.907 171.907 172.177 -0.270 19752 7747 1 11 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.095 -0.878 19752 7748 1 11 . 1 1 116 116 GLY H H 116 8.591 8.591 8.361 0.230 19752 7749 1 11 . 1 1 117 117 VAL N N 117 110.113 110.113 115.141 -5.028 19752 7750 1 11 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.569 -0.431 19752 7751 1 11 . 1 1 117 117 VAL C C 117 171.857 171.857 173.336 -1.479 19752 7752 1 11 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.556 0.401 19752 7753 1 11 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.667 -1.119 19752 7754 1 11 . 1 1 117 117 VAL H H 117 7.745 7.745 7.795 -0.050 19752 7755 1 11 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.968 0.528 19752 7756 1 11 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.575 -1.085 19752 7757 1 11 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.574 -0.814 19752 7758 1 11 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.239 0.137 19752 7759 1 11 . 1 1 119 119 PRO C C 119 176.006 176.006 176.239 -0.233 19752 7760 1 11 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.125 1.031 19752 7761 1 11 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.947 1.088 19752 7762 1 11 . 1 1 120 120 ASN N N 120 124.472 124.472 120.292 4.180 19752 7763 1 11 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.588 0.316 19752 7764 1 11 . 1 1 120 120 ASN C C 120 172.963 172.963 173.818 -0.855 19752 7765 1 11 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.242 -0.127 19752 7766 1 11 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.129 1.098 19752 7767 1 11 . 1 1 120 120 ASN H H 120 8.414 8.414 7.843 0.571 19752 7768 1 11 . 1 1 121 121 HIS N N 121 120.276 120.276 119.692 0.584 19752 7769 1 11 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.965 -0.538 19752 7770 1 11 . 1 1 121 121 HIS C C 121 174.788 174.788 174.349 0.439 19752 7771 1 11 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.457 2.243 19752 7772 1 11 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.182 -0.474 19752 7773 1 11 . 1 1 121 121 HIS H H 121 8.591 8.591 7.668 0.923 19752 7774 1 11 . 1 1 122 122 ILE N N 122 120.474 120.474 125.094 -4.620 19752 7775 1 11 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.282 0.063 19752 7776 1 11 . 1 1 122 122 ILE C C 122 174.718 174.718 174.623 0.095 19752 7777 1 11 . 1 1 122 122 ILE CA C 122 58.130 58.130 57.569 0.562 19752 7778 1 11 . 1 1 122 122 ILE CB C 122 39.770 39.770 36.825 2.945 19752 7779 1 11 . 1 1 122 122 ILE H H 122 8.883 8.883 9.106 -0.223 19752 7780 1 11 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.897 -0.401 19752 7781 1 11 . 1 1 123 123 PRO C C 123 177.104 177.104 176.374 0.730 19752 7782 1 11 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.953 0.654 19752 7783 1 11 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.267 0.262 19752 7784 1 11 . 1 1 124 124 GLY N N 124 111.030 111.030 113.084 -2.054 19752 7785 1 11 . 1 1 124 124 GLY C C 124 173.906 173.906 173.471 0.435 19752 7786 1 11 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.589 -0.472 19752 7787 1 11 . 1 1 124 124 GLY H H 124 8.553 8.553 8.768 -0.215 19752 7788 1 11 . 1 1 125 125 VAL N N 125 121.916 121.916 122.408 -0.492 19752 7789 1 11 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.885 0.035 19752 7790 1 11 . 1 1 125 125 VAL C C 125 176.148 176.148 174.744 1.404 19752 7791 1 11 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.739 1.899 19752 7792 1 11 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.463 0.655 19752 7793 1 11 . 1 1 125 125 VAL H H 125 8.493 8.493 8.071 0.422 19752 7794 1 11 . 1 1 126 126 ALA N N 126 127.872 127.872 129.741 -1.869 19752 7795 1 11 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.402 0.088 19752 7796 1 11 . 1 1 126 126 ALA C C 126 179.447 179.447 177.095 2.352 19752 7797 1 11 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.144 1.525 19752 7798 1 11 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.123 0.505 19752 7799 1 11 . 1 1 126 126 ALA H H 126 8.835 8.835 8.379 0.456 19752 7800 1 11 . 1 1 127 127 TRP N N 127 121.928 121.928 125.022 -3.094 19752 7801 1 11 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.843 0.270 19752 7802 1 11 . 1 1 127 127 TRP C C 127 174.684 174.684 175.271 -0.587 19752 7803 1 11 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.953 -1.324 19752 7804 1 11 . 1 1 127 127 TRP CB C 127 28.154 28.154 29.631 -1.477 19752 7805 1 11 . 1 1 127 127 TRP H H 127 8.555 8.555 8.477 0.078 19752 7806 1 11 . 1 1 128 128 GLY N N 128 103.981 103.981 105.435 -1.454 19752 7807 1 11 . 1 1 128 128 GLY C C 128 171.694 171.694 172.578 -0.884 19752 7808 1 11 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.656 1.033 19752 7809 1 11 . 1 1 128 128 GLY H H 128 7.280 7.280 7.615 -0.335 19752 7810 1 11 . 1 1 129 129 VAL N N 129 119.078 119.078 120.084 -1.006 19752 7811 1 11 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.515 -0.172 19752 7812 1 11 . 1 1 129 129 VAL C C 129 173.255 173.255 174.722 -1.467 19752 7813 1 11 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.316 0.345 19752 7814 1 11 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.473 1.078 19752 7815 1 11 . 1 1 129 129 VAL H H 129 8.274 8.274 8.514 -0.240 19752 7816 1 11 . 1 1 130 130 PHE N N 130 122.633 122.633 124.691 -2.058 19752 7817 1 11 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.419 0.125 19752 7818 1 11 . 1 1 130 130 PHE C C 130 175.771 175.771 175.898 -0.127 19752 7819 1 11 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.092 0.084 19752 7820 1 11 . 1 1 130 130 PHE CB C 130 40.670 40.670 42.400 -1.730 19752 7821 1 11 . 1 1 130 130 PHE H H 130 8.464 8.464 8.739 -0.275 19752 7822 1 12 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.819 -0.053 19752 7823 1 12 . 1 1 2 2 ASN C C 2 174.930 174.930 174.097 0.833 19752 7824 1 12 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.940 0.269 19752 7825 1 12 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.255 0.958 19752 7826 1 12 . 1 1 3 3 ALA N N 3 124.643 124.643 124.972 -0.329 19752 7827 1 12 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.404 -0.140 19752 7828 1 12 . 1 1 3 3 ALA C C 3 177.790 177.790 177.429 0.361 19752 7829 1 12 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.185 0.652 19752 7830 1 12 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.836 -0.596 19752 7831 1 12 . 1 1 3 3 ALA H H 3 8.386 8.386 8.101 0.285 19752 7832 1 12 . 1 1 4 4 LYS N N 4 120.203 120.203 121.927 -1.724 19752 7833 1 12 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.220 0.003 19752 7834 1 12 . 1 1 4 4 LYS C C 4 176.230 176.230 176.220 0.010 19752 7835 1 12 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.377 0.158 19752 7836 1 12 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.452 0.359 19752 7837 1 12 . 1 1 4 4 LYS H H 4 8.300 8.300 8.441 -0.141 19752 7838 1 12 . 1 1 5 5 ASN N N 5 119.229 119.229 122.055 -2.826 19752 7839 1 12 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.318 0.350 19752 7840 1 12 . 1 1 5 5 ASN C C 5 175.033 175.033 173.416 1.617 19752 7841 1 12 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.675 -0.550 19752 7842 1 12 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.058 0.719 19752 7843 1 12 . 1 1 5 5 ASN H H 5 8.320 8.320 8.655 -0.335 19752 7844 1 12 . 1 1 6 6 TYR N N 6 120.593 120.593 121.560 -0.967 19752 7845 1 12 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.663 -0.153 19752 7846 1 12 . 1 1 6 6 TYR C C 6 175.554 175.554 175.429 0.125 19752 7847 1 12 . 1 1 6 6 TYR CA C 6 58.213 58.213 56.683 1.530 19752 7848 1 12 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.487 -0.886 19752 7849 1 12 . 1 1 6 6 TYR H H 6 8.087 8.087 7.675 0.412 19752 7850 1 12 . 1 1 7 7 MET N N 7 121.477 121.477 123.965 -2.488 19752 7851 1 12 . 1 1 7 7 MET HA H 7 4.391 4.391 4.300 0.091 19752 7852 1 12 . 1 1 7 7 MET C C 7 175.609 175.609 175.272 0.337 19752 7853 1 12 . 1 1 7 7 MET CA C 7 55.494 55.494 55.271 0.223 19752 7854 1 12 . 1 1 7 7 MET CB C 7 32.970 32.970 31.859 1.111 19752 7855 1 12 . 1 1 7 7 MET H H 7 8.121 8.121 8.667 -0.546 19752 7856 1 12 . 1 1 8 8 ASP N N 8 121.704 121.704 122.468 -0.764 19752 7857 1 12 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.607 -0.052 19752 7858 1 12 . 1 1 8 8 ASP C C 8 176.344 176.344 176.771 -0.427 19752 7859 1 12 . 1 1 8 8 ASP CA C 8 54.471 54.471 55.701 -1.230 19752 7860 1 12 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.153 0.169 19752 7861 1 12 . 1 1 8 8 ASP H H 8 8.189 8.189 8.523 -0.334 19752 7862 1 12 . 1 1 9 9 LYS N N 9 122.168 122.168 119.149 3.019 19752 7863 1 12 . 1 1 9 9 LYS HA H 9 4.307 4.307 3.999 0.308 19752 7864 1 12 . 1 1 9 9 LYS C C 9 177.267 177.267 175.624 1.643 19752 7865 1 12 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.719 -0.097 19752 7866 1 12 . 1 1 9 9 LYS CB C 9 32.765 32.765 31.436 1.329 19752 7867 1 12 . 1 1 9 9 LYS H H 9 8.335 8.335 8.422 -0.087 19752 7868 1 12 . 1 1 10 10 GLY N N 10 109.505 109.505 111.651 -2.146 19752 7869 1 12 . 1 1 10 10 GLY C C 10 174.568 174.568 175.032 -0.464 19752 7870 1 12 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.345 0.238 19752 7871 1 12 . 1 1 10 10 GLY H H 10 8.497 8.497 8.195 0.302 19752 7872 1 12 . 1 1 11 11 THR N N 11 113.312 113.312 115.797 -2.485 19752 7873 1 12 . 1 1 11 11 THR HA H 11 4.396 4.396 4.198 0.198 19752 7874 1 12 . 1 1 11 11 THR C C 11 174.719 174.719 175.411 -0.692 19752 7875 1 12 . 1 1 11 11 THR CA C 11 61.779 61.779 63.535 -1.756 19752 7876 1 12 . 1 1 11 11 THR CB C 11 69.963 69.963 69.138 0.825 19752 7877 1 12 . 1 1 11 11 THR H H 11 8.081 8.081 8.039 0.042 19752 7878 1 12 . 1 1 12 12 SER N N 12 118.272 118.272 117.314 0.958 19752 7879 1 12 . 1 1 12 12 SER HA H 12 4.499 4.499 4.606 -0.107 19752 7880 1 12 . 1 1 12 12 SER C C 12 174.766 174.766 174.334 0.432 19752 7881 1 12 . 1 1 12 12 SER CA C 12 58.432 58.432 58.549 -0.117 19752 7882 1 12 . 1 1 12 12 SER CB C 12 63.986 63.986 62.245 1.741 19752 7883 1 12 . 1 1 12 12 SER H H 12 8.413 8.413 8.198 0.215 19752 7884 1 12 . 1 1 13 13 SER N N 13 118.106 118.106 120.867 -2.761 19752 7885 1 12 . 1 1 13 13 SER HA H 13 4.518 4.518 4.568 -0.050 19752 7886 1 12 . 1 1 13 13 SER C C 13 174.674 174.674 174.967 -0.293 19752 7887 1 12 . 1 1 13 13 SER CA C 13 58.607 58.607 59.192 -0.585 19752 7888 1 12 . 1 1 13 13 SER CB C 13 63.869 63.869 64.302 -0.433 19752 7889 1 12 . 1 1 13 13 SER H H 13 8.414 8.414 8.319 0.095 19752 7890 1 12 . 1 1 14 14 SER N N 14 117.724 117.724 119.128 -1.404 19752 7891 1 12 . 1 1 14 14 SER HA H 14 4.535 4.535 4.610 -0.075 19752 7892 1 12 . 1 1 14 14 SER C C 14 174.743 174.743 173.753 0.990 19752 7893 1 12 . 1 1 14 14 SER CA C 14 58.630 58.630 58.796 -0.166 19752 7894 1 12 . 1 1 14 14 SER CB C 14 63.798 63.798 62.928 0.870 19752 7895 1 12 . 1 1 14 14 SER H H 14 8.379 8.379 8.436 -0.057 19752 7896 1 12 . 1 1 15 15 THR N N 15 116.549 116.549 120.123 -3.574 19752 7897 1 12 . 1 1 15 15 THR HA H 15 4.336 4.336 4.535 -0.199 19752 7898 1 12 . 1 1 15 15 THR C C 15 174.310 174.310 173.780 0.530 19752 7899 1 12 . 1 1 15 15 THR CA C 15 62.161 62.161 61.897 0.264 19752 7900 1 12 . 1 1 15 15 THR CB C 15 69.603 69.603 70.723 -1.120 19752 7901 1 12 . 1 1 15 15 THR H H 15 8.195 8.195 7.880 0.315 19752 7902 1 12 . 1 1 16 16 VAL N N 16 123.406 123.406 123.625 -0.219 19752 7903 1 12 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.446 -0.344 19752 7904 1 12 . 1 1 16 16 VAL C C 16 175.934 175.934 176.371 -0.437 19752 7905 1 12 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.360 1.152 19752 7906 1 12 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.743 -0.005 19752 7907 1 12 . 1 1 16 16 VAL H H 16 8.121 8.121 8.070 0.051 19752 7908 1 12 . 1 1 17 17 VAL N N 17 125.445 125.445 121.089 4.356 19752 7909 1 12 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.929 0.157 19752 7910 1 12 . 1 1 17 17 VAL C C 17 176.102 176.102 176.315 -0.213 19752 7911 1 12 . 1 1 17 17 VAL CA C 17 62.279 62.279 64.170 -1.891 19752 7912 1 12 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.056 0.621 19752 7913 1 12 . 1 1 17 17 VAL H H 17 8.293 8.293 8.268 0.025 19752 7914 1 12 . 1 1 18 18 LYS N N 18 126.281 126.281 116.992 9.289 19752 7915 1 12 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.381 -0.039 19752 7916 1 12 . 1 1 18 18 LYS C C 18 176.138 176.138 174.642 1.496 19752 7917 1 12 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.198 0.007 19752 7918 1 12 . 1 1 18 18 LYS CB C 18 33.146 33.146 33.778 -0.632 19752 7919 1 12 . 1 1 18 18 LYS H H 18 8.478 8.478 7.503 0.975 19752 7920 1 12 . 1 1 19 19 ASP N N 19 121.904 121.904 122.188 -0.284 19752 7921 1 12 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.724 -0.160 19752 7922 1 12 . 1 1 19 19 ASP C C 19 176.698 176.698 176.184 0.514 19752 7923 1 12 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.439 -0.054 19752 7924 1 12 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.242 -1.018 19752 7925 1 12 . 1 1 19 19 ASP H H 19 8.379 8.379 8.536 -0.157 19752 7926 1 12 . 1 1 20 20 GLY N N 20 109.177 109.177 108.381 0.796 19752 7927 1 12 . 1 1 20 20 GLY C C 20 174.374 174.374 175.713 -1.339 19752 7928 1 12 . 1 1 20 20 GLY CA C 20 45.638 45.638 46.282 -0.644 19752 7929 1 12 . 1 1 20 20 GLY H H 20 8.390 8.390 8.459 -0.069 19752 7930 1 12 . 1 1 21 21 LYS N N 21 120.814 120.814 121.171 -0.357 19752 7931 1 12 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.335 0.054 19752 7932 1 12 . 1 1 21 21 LYS C C 21 177.041 177.041 177.127 -0.086 19752 7933 1 12 . 1 1 21 21 LYS CA C 21 56.576 56.576 57.130 -0.554 19752 7934 1 12 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.941 0.149 19752 7935 1 12 . 1 1 21 21 LYS H H 21 8.229 8.229 8.107 0.122 19752 7936 1 12 . 1 1 22 22 THR N N 22 115.105 115.105 118.788 -3.683 19752 7937 1 12 . 1 1 22 22 THR HA H 22 4.393 4.393 4.194 0.199 19752 7938 1 12 . 1 1 22 22 THR C C 22 174.607 174.607 174.942 -0.335 19752 7939 1 12 . 1 1 22 22 THR CA C 22 61.880 61.880 63.554 -1.674 19752 7940 1 12 . 1 1 22 22 THR CB C 22 69.736 69.736 68.383 1.353 19752 7941 1 12 . 1 1 22 22 THR H H 22 8.237 8.237 8.836 -0.599 19752 7942 1 12 . 1 1 24 24 SER HA H 24 4.486 4.486 4.412 0.074 19752 7943 1 12 . 1 1 24 24 SER C C 24 174.299 174.299 173.759 0.540 19752 7944 1 12 . 1 1 24 24 SER CA C 24 58.547 58.547 58.353 0.194 19752 7945 1 12 . 1 1 24 24 SER CB C 24 63.787 63.787 63.025 0.762 19752 7946 1 12 . 1 1 25 25 ALA N N 25 125.891 125.891 130.585 -4.694 19752 7947 1 12 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.337 0.039 19752 7948 1 12 . 1 1 25 25 ALA C C 25 177.660 177.660 177.268 0.392 19752 7949 1 12 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.564 1.065 19752 7950 1 12 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.925 0.366 19752 7951 1 12 . 1 1 25 25 ALA H H 25 8.328 8.328 8.355 -0.027 19752 7952 1 12 . 1 1 26 26 SER N N 26 115.155 115.155 120.511 -5.356 19752 7953 1 12 . 1 1 26 26 SER HA H 26 4.486 4.486 4.281 0.205 19752 7954 1 12 . 1 1 26 26 SER C C 26 174.291 174.291 174.835 -0.544 19752 7955 1 12 . 1 1 26 26 SER CA C 26 58.237 58.237 59.467 -1.230 19752 7956 1 12 . 1 1 26 26 SER CB C 26 63.917 63.917 63.716 0.201 19752 7957 1 12 . 1 1 26 26 SER H H 26 8.267 8.267 8.332 -0.065 19752 7958 1 12 . 1 1 27 27 THR N N 27 118.324 118.324 112.017 6.307 19752 7959 1 12 . 1 1 27 27 THR HA H 27 4.627 4.627 4.134 0.493 19752 7960 1 12 . 1 1 27 27 THR C C 27 172.782 172.782 172.729 0.053 19752 7961 1 12 . 1 1 27 27 THR CA C 27 59.748 59.748 61.761 -2.013 19752 7962 1 12 . 1 1 27 27 THR CB C 27 69.702 69.702 67.796 1.906 19752 7963 1 12 . 1 1 27 27 THR H H 27 8.164 8.164 8.300 -0.136 19752 7964 1 12 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.371 0.032 19752 7965 1 12 . 1 1 28 28 PRO C C 28 176.630 176.630 175.704 0.926 19752 7966 1 12 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.094 0.156 19752 7967 1 12 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.642 1.523 19752 7968 1 12 . 1 1 29 29 ALA N N 29 124.263 124.263 127.748 -3.485 19752 7969 1 12 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.397 -0.048 19752 7970 1 12 . 1 1 29 29 ALA C C 29 177.974 177.974 178.694 -0.720 19752 7971 1 12 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.392 -0.737 19752 7972 1 12 . 1 1 29 29 ALA CB C 29 19.277 19.277 19.901 -0.625 19752 7973 1 12 . 1 1 29 29 ALA H H 29 8.432 8.432 8.127 0.305 19752 7974 1 12 . 1 1 30 30 THR N N 30 113.368 113.368 112.021 1.347 19752 7975 1 12 . 1 1 30 30 THR HA H 30 4.281 4.281 3.863 0.418 19752 7976 1 12 . 1 1 30 30 THR C C 30 174.257 174.257 175.927 -1.670 19752 7977 1 12 . 1 1 30 30 THR CA C 30 61.656 61.656 64.682 -3.026 19752 7978 1 12 . 1 1 30 30 THR CB C 30 69.801 69.801 68.577 1.224 19752 7979 1 12 . 1 1 30 30 THR H H 30 8.106 8.106 8.586 -0.480 19752 7980 1 12 . 1 1 31 31 ARG N N 31 124.700 124.700 120.736 3.964 19752 7981 1 12 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.490 0.160 19752 7982 1 12 . 1 1 31 31 ARG C C 31 174.094 174.094 176.396 -2.302 19752 7983 1 12 . 1 1 31 31 ARG CA C 31 54.051 54.051 58.886 -4.835 19752 7984 1 12 . 1 1 31 31 ARG CB C 31 30.374 30.374 27.651 2.723 19752 7985 1 12 . 1 1 31 31 ARG H H 31 8.318 8.318 8.326 -0.008 19752 7986 1 12 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.408 0.091 19752 7987 1 12 . 1 1 32 32 PRO C C 32 177.065 177.065 176.616 0.449 19752 7988 1 12 . 1 1 32 32 PRO CA C 32 63.060 63.060 64.225 -1.165 19752 7989 1 12 . 1 1 32 32 PRO CB C 32 32.157 32.157 32.157 0.000 19752 7990 1 12 . 1 1 33 33 VAL N N 33 120.890 120.890 120.940 -0.050 19752 7991 1 12 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.146 0.062 19752 7992 1 12 . 1 1 33 33 VAL C C 33 176.668 176.668 174.518 2.150 19752 7993 1 12 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.211 0.397 19752 7994 1 12 . 1 1 33 33 VAL CB C 33 32.747 32.747 30.984 1.763 19752 7995 1 12 . 1 1 33 33 VAL H H 33 8.447 8.447 7.814 0.633 19752 7996 1 12 . 1 1 34 34 THR N N 34 116.709 116.709 122.122 -5.413 19752 7997 1 12 . 1 1 34 34 THR HA H 34 4.377 4.377 4.876 -0.499 19752 7998 1 12 . 1 1 34 34 THR C C 34 174.791 174.791 173.962 0.829 19752 7999 1 12 . 1 1 34 34 THR CA C 34 61.700 61.700 61.683 0.017 19752 8000 1 12 . 1 1 34 34 THR CB C 34 69.697 69.697 70.509 -0.812 19752 8001 1 12 . 1 1 34 34 THR H H 34 8.221 8.221 7.901 0.320 19752 8002 1 12 . 1 1 35 35 GLY N N 35 111.182 111.182 113.487 -2.305 19752 8003 1 12 . 1 1 35 35 GLY C C 35 173.940 173.940 174.998 -1.058 19752 8004 1 12 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.120 0.536 19752 8005 1 12 . 1 1 35 35 GLY H H 35 8.376 8.376 8.416 -0.040 19752 8006 1 12 . 1 1 36 36 SER N N 36 116.779 116.779 116.081 0.698 19752 8007 1 12 . 1 1 36 36 SER HA H 36 4.456 4.456 4.388 0.068 19752 8008 1 12 . 1 1 36 36 SER C C 36 173.880 173.880 174.331 -0.451 19752 8009 1 12 . 1 1 36 36 SER CA C 36 58.255 58.255 59.549 -1.294 19752 8010 1 12 . 1 1 36 36 SER CB C 36 64.195 64.195 63.600 0.595 19752 8011 1 12 . 1 1 36 36 SER H H 36 8.456 8.456 8.279 0.177 19752 8012 1 12 . 1 1 37 37 TRP N N 37 121.744 121.744 121.941 -0.197 19752 8013 1 12 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.962 -0.434 19752 8014 1 12 . 1 1 37 37 TRP C C 37 176.500 176.500 175.635 0.865 19752 8015 1 12 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.828 1.262 19752 8016 1 12 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.112 0.895 19752 8017 1 12 . 1 1 37 37 TRP H H 37 8.171 8.171 7.994 0.177 19752 8018 1 12 . 1 1 38 38 LYS N N 38 123.158 123.158 122.477 0.681 19752 8019 1 12 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.758 -0.132 19752 8020 1 12 . 1 1 38 38 LYS C C 38 172.839 172.839 175.054 -2.215 19752 8021 1 12 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.534 1.622 19752 8022 1 12 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.577 1.079 19752 8023 1 12 . 1 1 38 38 LYS H H 38 8.736 8.736 9.081 -0.345 19752 8024 1 12 . 1 1 39 39 LYS N N 39 121.526 121.526 123.337 -1.811 19752 8025 1 12 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.804 0.936 19752 8026 1 12 . 1 1 39 39 LYS C C 39 177.510 177.510 175.973 1.537 19752 8027 1 12 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.315 -0.999 19752 8028 1 12 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.560 0.797 19752 8029 1 12 . 1 1 39 39 LYS H H 39 8.123 8.123 8.271 -0.148 19752 8030 1 12 . 1 1 40 40 ASN N N 40 123.988 123.988 125.269 -1.281 19752 8031 1 12 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.781 0.275 19752 8032 1 12 . 1 1 40 40 ASN C C 40 177.524 177.524 176.653 0.871 19752 8033 1 12 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.276 -1.436 19752 8034 1 12 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.995 -1.839 19752 8035 1 12 . 1 1 40 40 ASN H H 40 8.583 8.583 8.834 -0.251 19752 8036 1 12 . 1 1 41 41 GLN N N 41 116.529 116.529 124.756 -8.227 19752 8037 1 12 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.997 0.063 19752 8038 1 12 . 1 1 41 41 GLN C C 41 175.829 175.829 176.551 -0.722 19752 8039 1 12 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.411 -0.650 19752 8040 1 12 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.061 -0.114 19752 8041 1 12 . 1 1 41 41 GLN H H 41 8.856 8.856 8.750 0.106 19752 8042 1 12 . 1 1 42 42 TYR N N 42 119.255 119.255 117.159 2.096 19752 8043 1 12 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.428 0.223 19752 8044 1 12 . 1 1 42 42 TYR C C 42 175.782 175.782 176.704 -0.922 19752 8045 1 12 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.280 -1.160 19752 8046 1 12 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.479 -0.361 19752 8047 1 12 . 1 1 42 42 TYR H H 42 7.604 7.604 8.017 -0.413 19752 8048 1 12 . 1 1 43 43 GLY N N 43 106.354 106.354 108.432 -2.078 19752 8049 1 12 . 1 1 43 43 GLY C C 43 173.297 173.297 173.945 -0.648 19752 8050 1 12 . 1 1 43 43 GLY CA C 43 45.163 45.163 44.965 0.198 19752 8051 1 12 . 1 1 43 43 GLY H H 43 7.993 7.993 7.980 0.013 19752 8052 1 12 . 1 1 44 44 THR N N 44 120.062 120.062 116.397 3.665 19752 8053 1 12 . 1 1 44 44 THR HA H 44 4.176 4.176 5.029 -0.853 19752 8054 1 12 . 1 1 44 44 THR C C 44 173.969 173.969 173.477 0.492 19752 8055 1 12 . 1 1 44 44 THR CA C 44 62.132 62.132 62.776 -0.644 19752 8056 1 12 . 1 1 44 44 THR CB C 44 68.989 68.989 70.600 -1.611 19752 8057 1 12 . 1 1 44 44 THR H H 44 7.781 7.781 7.244 0.537 19752 8058 1 12 . 1 1 45 45 TRP N N 45 129.666 129.666 127.139 2.527 19752 8059 1 12 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.557 0.119 19752 8060 1 12 . 1 1 45 45 TRP C C 45 175.999 175.999 175.929 0.070 19752 8061 1 12 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.550 0.056 19752 8062 1 12 . 1 1 45 45 TRP CB C 45 30.641 30.641 31.245 -0.605 19752 8063 1 12 . 1 1 45 45 TRP H H 45 8.041 8.041 9.041 -1.000 19752 8064 1 12 . 1 1 46 46 TYR N N 46 122.938 122.938 118.806 4.132 19752 8065 1 12 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.035 0.303 19752 8066 1 12 . 1 1 46 46 TYR C C 46 173.663 173.663 173.270 0.393 19752 8067 1 12 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.500 0.807 19752 8068 1 12 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.553 1.572 19752 8069 1 12 . 1 1 46 46 TYR H H 46 10.329 10.329 9.494 0.835 19752 8070 1 12 . 1 1 47 47 LYS N N 47 118.986 118.986 118.208 0.778 19752 8071 1 12 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.970 -0.199 19752 8072 1 12 . 1 1 47 47 LYS C C 47 172.462 172.462 174.031 -1.569 19752 8073 1 12 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.568 1.144 19752 8074 1 12 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.791 -0.673 19752 8075 1 12 . 1 1 47 47 LYS H H 47 8.923 8.923 9.162 -0.239 19752 8076 1 12 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.716 0.086 19752 8077 1 12 . 1 1 48 48 PRO C C 48 176.747 176.747 176.081 0.666 19752 8078 1 12 . 1 1 48 48 PRO CA C 48 62.665 62.665 63.064 -0.399 19752 8079 1 12 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.853 0.186 19752 8080 1 12 . 1 1 49 49 GLU N N 49 125.285 125.285 123.314 1.971 19752 8081 1 12 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.533 -0.545 19752 8082 1 12 . 1 1 49 49 GLU C C 49 170.927 170.927 174.126 -3.199 19752 8083 1 12 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.663 2.207 19752 8084 1 12 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.862 0.368 19752 8085 1 12 . 1 1 49 49 GLU H H 49 7.771 7.771 8.752 -0.981 19752 8086 1 12 . 1 1 50 50 ASN N N 50 122.328 122.328 124.602 -2.274 19752 8087 1 12 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.481 -0.083 19752 8088 1 12 . 1 1 50 50 ASN C C 50 173.648 173.648 173.856 -0.208 19752 8089 1 12 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.869 -1.183 19752 8090 1 12 . 1 1 50 50 ASN CB C 50 39.646 39.646 38.725 0.921 19752 8091 1 12 . 1 1 50 50 ASN H H 50 8.148 8.148 8.542 -0.394 19752 8092 1 12 . 1 1 51 51 ALA N N 51 126.527 126.527 129.010 -2.483 19752 8093 1 12 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.447 0.006 19752 8094 1 12 . 1 1 51 51 ALA C C 51 172.872 172.872 174.662 -1.790 19752 8095 1 12 . 1 1 51 51 ALA CA C 51 51.597 51.597 50.913 0.684 19752 8096 1 12 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.596 -2.926 19752 8097 1 12 . 1 1 51 51 ALA H H 51 7.085 7.085 8.027 -0.942 19752 8098 1 12 . 1 1 52 52 THR N N 52 112.831 112.831 114.958 -2.127 19752 8099 1 12 . 1 1 52 52 THR HA H 52 5.167 5.167 5.016 0.151 19752 8100 1 12 . 1 1 52 52 THR C C 52 172.852 172.852 172.930 -0.078 19752 8101 1 12 . 1 1 52 52 THR CA C 52 62.232 62.232 61.585 0.647 19752 8102 1 12 . 1 1 52 52 THR CB C 52 71.068 71.068 70.746 0.323 19752 8103 1 12 . 1 1 52 52 THR H H 52 8.036 8.036 8.748 -0.712 19752 8104 1 12 . 1 1 53 53 PHE N N 53 127.883 127.883 127.409 0.474 19752 8105 1 12 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.429 -0.106 19752 8106 1 12 . 1 1 53 53 PHE C C 53 172.928 172.928 172.971 -0.043 19752 8107 1 12 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.638 -0.363 19752 8108 1 12 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.012 0.193 19752 8109 1 12 . 1 1 53 53 PHE H H 53 9.714 9.714 9.522 0.192 19752 8110 1 12 . 1 1 54 54 VAL N N 54 127.284 127.284 126.993 0.291 19752 8111 1 12 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.819 -0.499 19752 8112 1 12 . 1 1 54 54 VAL C C 54 175.842 175.842 174.773 1.069 19752 8113 1 12 . 1 1 54 54 VAL CA C 54 60.152 60.152 59.906 0.246 19752 8114 1 12 . 1 1 54 54 VAL CB C 54 31.738 31.738 33.695 -1.957 19752 8115 1 12 . 1 1 54 54 VAL H H 54 8.583 8.583 8.624 -0.041 19752 8116 1 12 . 1 1 55 55 ASN N N 55 125.723 125.723 125.634 0.089 19752 8117 1 12 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.387 -0.227 19752 8118 1 12 . 1 1 55 55 ASN C C 55 176.333 176.333 175.964 0.369 19752 8119 1 12 . 1 1 55 55 ASN CA C 55 53.589 53.589 54.193 -0.604 19752 8120 1 12 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.723 -0.078 19752 8121 1 12 . 1 1 55 55 ASN H H 55 8.970 8.970 8.264 0.706 19752 8122 1 12 . 1 1 56 56 GLY N N 56 114.389 114.389 110.558 3.831 19752 8123 1 12 . 1 1 56 56 GLY C C 56 173.882 173.882 174.541 -0.659 19752 8124 1 12 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.183 -0.507 19752 8125 1 12 . 1 1 56 56 GLY H H 56 8.360 8.360 8.765 -0.405 19752 8126 1 12 . 1 1 57 57 ASN N N 57 115.511 115.511 116.834 -1.323 19752 8127 1 12 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.642 -0.131 19752 8128 1 12 . 1 1 57 57 ASN C C 57 174.741 174.741 174.808 -0.067 19752 8129 1 12 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.228 0.985 19752 8130 1 12 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.384 0.245 19752 8131 1 12 . 1 1 57 57 ASN H H 57 8.149 8.149 8.611 -0.462 19752 8132 1 12 . 1 1 58 58 GLN N N 58 118.128 118.128 119.885 -1.757 19752 8133 1 12 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.794 0.166 19752 8134 1 12 . 1 1 58 58 GLN C C 58 172.603 172.603 173.545 -0.942 19752 8135 1 12 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.770 -0.137 19752 8136 1 12 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.615 0.953 19752 8137 1 12 . 1 1 58 58 GLN H H 58 7.702 7.702 7.838 -0.136 19752 8138 1 12 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.697 0.243 19752 8139 1 12 . 1 1 59 59 PRO C C 59 176.506 176.506 176.088 0.418 19752 8140 1 12 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.680 -0.424 19752 8141 1 12 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.355 0.305 19752 8142 1 12 . 1 1 60 60 ILE N N 60 120.974 120.974 124.720 -3.746 19752 8143 1 12 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.250 0.024 19752 8144 1 12 . 1 1 60 60 ILE C C 60 175.190 175.190 175.323 -0.133 19752 8145 1 12 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.192 0.495 19752 8146 1 12 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.631 2.114 19752 8147 1 12 . 1 1 60 60 ILE H H 60 8.126 8.126 9.024 -0.898 19752 8148 1 12 . 1 1 61 61 VAL N N 61 128.224 128.224 128.247 -0.023 19752 8149 1 12 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.241 -0.128 19752 8150 1 12 . 1 1 61 61 VAL C C 61 175.973 175.973 175.754 0.219 19752 8151 1 12 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.099 2.177 19752 8152 1 12 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.700 -0.770 19752 8153 1 12 . 1 1 61 61 VAL H H 61 8.421 8.421 8.689 -0.268 19752 8154 1 12 . 1 1 62 62 THR N N 62 118.454 118.454 120.930 -2.476 19752 8155 1 12 . 1 1 62 62 THR HA H 62 5.021 5.021 4.933 0.088 19752 8156 1 12 . 1 1 62 62 THR C C 62 174.936 174.936 173.833 1.103 19752 8157 1 12 . 1 1 62 62 THR CA C 62 61.286 61.286 60.658 0.628 19752 8158 1 12 . 1 1 62 62 THR CB C 62 71.133 71.133 71.695 -0.562 19752 8159 1 12 . 1 1 62 62 THR H H 62 7.989 7.989 8.910 -0.921 19752 8160 1 12 . 1 1 63 63 ARG N N 63 118.225 118.225 119.448 -1.223 19752 8161 1 12 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.286 0.143 19752 8162 1 12 . 1 1 63 63 ARG C C 63 175.607 175.607 175.289 0.318 19752 8163 1 12 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.230 -0.583 19752 8164 1 12 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.197 0.406 19752 8165 1 12 . 1 1 63 63 ARG H H 63 9.336 9.336 9.147 0.189 19752 8166 1 12 . 1 1 64 64 ILE N N 64 119.746 119.746 120.947 -1.201 19752 8167 1 12 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.182 0.283 19752 8168 1 12 . 1 1 64 64 ILE C C 64 179.206 179.206 177.615 1.591 19752 8169 1 12 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.275 -1.086 19752 8170 1 12 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.366 -0.118 19752 8171 1 12 . 1 1 64 64 ILE H H 64 8.741 8.741 8.552 0.189 19752 8172 1 12 . 1 1 65 65 GLY N N 65 116.059 116.059 117.991 -1.932 19752 8173 1 12 . 1 1 65 65 GLY C C 65 174.185 174.185 173.840 0.345 19752 8174 1 12 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.561 1.110 19752 8175 1 12 . 1 1 65 65 GLY H H 65 9.316 9.316 9.207 0.109 19752 8176 1 12 . 1 1 66 66 SER N N 66 114.840 114.840 115.548 -0.708 19752 8177 1 12 . 1 1 66 66 SER HA H 66 4.160 4.160 4.254 -0.094 19752 8178 1 12 . 1 1 66 66 SER C C 66 170.281 170.281 171.533 -1.252 19752 8179 1 12 . 1 1 66 66 SER CA C 66 56.207 56.207 54.948 1.259 19752 8180 1 12 . 1 1 66 66 SER CB C 66 63.737 63.737 65.444 -1.707 19752 8181 1 12 . 1 1 66 66 SER H H 66 7.412 7.412 7.514 -0.102 19752 8182 1 12 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.607 -0.968 19752 8183 1 12 . 1 1 67 67 PRO C C 67 170.030 170.030 174.312 -4.282 19752 8184 1 12 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.341 -1.671 19752 8185 1 12 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.276 -5.366 19752 8186 1 12 . 1 1 68 68 PHE N N 68 111.778 111.778 118.385 -6.607 19752 8187 1 12 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.458 0.035 19752 8188 1 12 . 1 1 68 68 PHE C C 68 177.055 177.055 175.765 1.290 19752 8189 1 12 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.691 -1.063 19752 8190 1 12 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.925 1.433 19752 8191 1 12 . 1 1 68 68 PHE H H 68 6.610 6.610 7.067 -0.457 19752 8192 1 12 . 1 1 69 69 LEU N N 69 119.491 119.491 122.582 -3.091 19752 8193 1 12 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.576 -0.263 19752 8194 1 12 . 1 1 69 69 LEU C C 69 176.326 176.326 176.983 -0.657 19752 8195 1 12 . 1 1 69 69 LEU CA C 69 56.231 56.231 55.906 0.325 19752 8196 1 12 . 1 1 69 69 LEU CB C 69 40.870 40.870 40.844 0.026 19752 8197 1 12 . 1 1 69 69 LEU H H 69 8.388 8.388 8.905 -0.517 19752 8198 1 12 . 1 1 70 70 ASN N N 70 112.229 112.229 114.669 -2.440 19752 8199 1 12 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.766 0.076 19752 8200 1 12 . 1 1 70 70 ASN C C 70 175.620 175.620 174.655 0.965 19752 8201 1 12 . 1 1 70 70 ASN CA C 70 51.668 51.668 51.964 -0.296 19752 8202 1 12 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.294 0.359 19752 8203 1 12 . 1 1 70 70 ASN H H 70 7.675 7.675 8.177 -0.502 19752 8204 1 12 . 1 1 71 71 ALA N N 71 123.955 123.955 124.849 -0.894 19752 8205 1 12 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.355 0.204 19752 8206 1 12 . 1 1 71 71 ALA C C 71 174.274 174.274 176.108 -1.834 19752 8207 1 12 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.937 0.533 19752 8208 1 12 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.116 -0.273 19752 8209 1 12 . 1 1 71 71 ALA H H 71 7.152 7.152 7.240 -0.088 19752 8210 1 12 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.345 0.068 19752 8211 1 12 . 1 1 72 72 PRO C C 72 176.342 176.342 176.210 0.132 19752 8212 1 12 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.294 -0.175 19752 8213 1 12 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.895 0.261 19752 8214 1 12 . 1 1 73 73 VAL N N 73 121.078 121.078 118.942 2.136 19752 8215 1 12 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.338 -0.054 19752 8216 1 12 . 1 1 73 73 VAL C C 73 177.864 177.864 177.057 0.807 19752 8217 1 12 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.293 2.984 19752 8218 1 12 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.845 -1.121 19752 8219 1 12 . 1 1 73 73 VAL H H 73 8.328 8.328 8.193 0.135 19752 8220 1 12 . 1 1 74 74 GLY N N 74 114.118 114.118 108.548 5.570 19752 8221 1 12 . 1 1 74 74 GLY C C 74 173.963 173.963 173.670 0.293 19752 8222 1 12 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.792 -0.007 19752 8223 1 12 . 1 1 74 74 GLY H H 74 8.781 8.781 8.852 -0.071 19752 8224 1 12 . 1 1 75 75 GLY N N 75 107.324 107.324 108.192 -0.868 19752 8225 1 12 . 1 1 75 75 GLY C C 75 173.460 173.460 172.183 1.277 19752 8226 1 12 . 1 1 75 75 GLY CA C 75 43.748 43.748 45.254 -1.506 19752 8227 1 12 . 1 1 75 75 GLY H H 75 7.278 7.278 7.930 -0.652 19752 8228 1 12 . 1 1 76 76 ASN N N 76 119.682 119.682 122.978 -3.296 19752 8229 1 12 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.950 0.472 19752 8230 1 12 . 1 1 76 76 ASN C C 76 175.760 175.760 174.355 1.405 19752 8231 1 12 . 1 1 76 76 ASN CA C 76 52.277 52.277 53.045 -0.768 19752 8232 1 12 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.069 -1.856 19752 8233 1 12 . 1 1 76 76 ASN H H 76 8.797 8.797 8.678 0.119 19752 8234 1 12 . 1 1 77 77 LEU N N 77 129.545 129.545 128.179 1.366 19752 8235 1 12 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.968 -0.097 19752 8236 1 12 . 1 1 77 77 LEU C C 77 174.374 174.374 174.313 0.061 19752 8237 1 12 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.093 1.121 19752 8238 1 12 . 1 1 77 77 LEU CB C 77 43.071 43.071 44.407 -1.336 19752 8239 1 12 . 1 1 77 77 LEU H H 77 10.083 10.083 9.104 0.979 19752 8240 1 12 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.460 -0.131 19752 8241 1 12 . 1 1 78 78 PRO C C 78 177.553 177.553 175.885 1.668 19752 8242 1 12 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.614 -0.032 19752 8243 1 12 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.455 0.266 19752 8244 1 12 . 1 1 79 79 ALA N N 79 125.294 125.294 122.927 2.367 19752 8245 1 12 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.067 0.193 19752 8246 1 12 . 1 1 79 79 ALA C C 79 179.984 179.984 178.354 1.630 19752 8247 1 12 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.302 0.876 19752 8248 1 12 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.358 -1.111 19752 8249 1 12 . 1 1 79 79 ALA H H 79 8.585 8.585 8.274 0.311 19752 8250 1 12 . 1 1 80 80 GLY N N 80 110.970 110.970 110.111 0.859 19752 8251 1 12 . 1 1 80 80 GLY C C 80 173.499 173.499 174.305 -0.806 19752 8252 1 12 . 1 1 80 80 GLY CA C 80 45.954 45.954 45.316 0.638 19752 8253 1 12 . 1 1 80 80 GLY H H 80 8.004 8.004 8.119 -0.115 19752 8254 1 12 . 1 1 81 81 ALA N N 81 122.249 122.249 122.900 -0.651 19752 8255 1 12 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.469 -0.218 19752 8256 1 12 . 1 1 81 81 ALA C C 81 175.709 175.709 176.341 -0.632 19752 8257 1 12 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.901 0.864 19752 8258 1 12 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.792 1.061 19752 8259 1 12 . 1 1 81 81 ALA H H 81 7.363 7.363 7.323 0.040 19752 8260 1 12 . 1 1 82 82 THR N N 82 114.980 114.980 119.879 -4.899 19752 8261 1 12 . 1 1 82 82 THR HA H 82 5.171 5.171 4.810 0.361 19752 8262 1 12 . 1 1 82 82 THR C C 82 174.618 174.618 173.476 1.142 19752 8263 1 12 . 1 1 82 82 THR CA C 82 62.118 62.118 62.190 -0.072 19752 8264 1 12 . 1 1 82 82 THR CB C 82 70.555 70.555 68.859 1.696 19752 8265 1 12 . 1 1 82 82 THR H H 82 8.181 8.181 8.422 -0.241 19752 8266 1 12 . 1 1 83 83 ILE N N 83 127.480 127.480 129.016 -1.536 19752 8267 1 12 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.409 -0.005 19752 8268 1 12 . 1 1 83 83 ILE C C 83 173.926 173.926 173.898 0.028 19752 8269 1 12 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.383 -0.044 19752 8270 1 12 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.656 1.572 19752 8271 1 12 . 1 1 83 83 ILE H H 83 9.627 9.627 9.375 0.252 19752 8272 1 12 . 1 1 84 84 VAL N N 84 128.246 128.246 129.172 -0.926 19752 8273 1 12 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.358 0.315 19752 8274 1 12 . 1 1 84 84 VAL C C 84 175.501 175.501 174.583 0.918 19752 8275 1 12 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.933 1.202 19752 8276 1 12 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.870 -1.214 19752 8277 1 12 . 1 1 84 84 VAL H H 84 8.059 8.059 8.632 -0.573 19752 8278 1 12 . 1 1 85 85 TYR N N 85 126.862 126.862 125.952 0.910 19752 8279 1 12 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.814 0.611 19752 8280 1 12 . 1 1 85 85 TYR C C 85 174.273 174.273 174.152 0.121 19752 8281 1 12 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.541 0.270 19752 8282 1 12 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.231 2.045 19752 8283 1 12 . 1 1 85 85 TYR H H 85 8.840 8.840 8.754 0.086 19752 8284 1 12 . 1 1 86 86 ASP N N 86 115.086 115.086 120.359 -5.273 19752 8285 1 12 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.943 0.525 19752 8286 1 12 . 1 1 86 86 ASP C C 86 177.943 177.943 175.554 2.389 19752 8287 1 12 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.665 0.538 19752 8288 1 12 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.629 -0.054 19752 8289 1 12 . 1 1 86 86 ASP H H 86 8.843 8.843 9.072 -0.229 19752 8290 1 12 . 1 1 87 87 GLU N N 87 124.208 124.208 119.259 4.949 19752 8291 1 12 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.020 0.095 19752 8292 1 12 . 1 1 87 87 GLU C C 87 173.613 173.613 174.354 -0.741 19752 8293 1 12 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.340 0.432 19752 8294 1 12 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.800 1.707 19752 8295 1 12 . 1 1 87 87 GLU H H 87 8.121 8.121 8.058 0.063 19752 8296 1 12 . 1 1 88 88 VAL N N 88 121.754 121.754 125.492 -3.738 19752 8297 1 12 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.801 0.913 19752 8298 1 12 . 1 1 88 88 VAL C C 88 175.480 175.480 174.843 0.637 19752 8299 1 12 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.811 -1.041 19752 8300 1 12 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.558 2.086 19752 8301 1 12 . 1 1 88 88 VAL H H 88 8.822 8.822 9.227 -0.405 19752 8302 1 12 . 1 1 89 89 CYS N N 89 118.234 118.234 126.418 -8.184 19752 8303 1 12 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.719 0.580 19752 8304 1 12 . 1 1 89 89 CYS C C 89 174.126 174.126 174.241 -0.115 19752 8305 1 12 . 1 1 89 89 CYS CA C 89 56.085 56.085 57.348 -1.263 19752 8306 1 12 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.681 1.423 19752 8307 1 12 . 1 1 89 89 CYS H H 89 9.404 9.404 9.535 -0.131 19752 8308 1 12 . 1 1 90 90 ILE N N 90 122.085 122.085 124.021 -1.936 19752 8309 1 12 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.536 0.697 19752 8310 1 12 . 1 1 90 90 ILE C C 90 176.210 176.210 174.318 1.892 19752 8311 1 12 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.746 0.813 19752 8312 1 12 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.390 2.099 19752 8313 1 12 . 1 1 90 90 ILE H H 90 9.773 9.773 9.650 0.123 19752 8314 1 12 . 1 1 91 91 GLN N N 91 125.884 125.884 128.348 -2.464 19752 8315 1 12 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.878 -0.259 19752 8316 1 12 . 1 1 91 91 GLN C C 91 176.019 176.019 174.619 1.400 19752 8317 1 12 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.400 1.822 19752 8318 1 12 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.972 -0.779 19752 8319 1 12 . 1 1 91 91 GLN H H 91 8.910 8.910 8.777 0.133 19752 8320 1 12 . 1 1 92 92 ALA N N 92 131.300 131.300 130.764 0.536 19752 8321 1 12 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.099 0.425 19752 8322 1 12 . 1 1 92 92 ALA C C 92 178.514 178.514 177.276 1.238 19752 8323 1 12 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.899 -0.433 19752 8324 1 12 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.833 0.436 19752 8325 1 12 . 1 1 92 92 ALA H H 92 9.888 9.888 9.170 0.718 19752 8326 1 12 . 1 1 93 93 GLY N N 93 107.622 107.622 113.357 -5.735 19752 8327 1 12 . 1 1 93 93 GLY C C 93 174.796 174.796 173.549 1.247 19752 8328 1 12 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.115 1.355 19752 8329 1 12 . 1 1 93 93 GLY H H 93 9.675 9.675 8.254 1.421 19752 8330 1 12 . 1 1 94 94 HIS N N 94 118.233 118.233 120.362 -2.129 19752 8331 1 12 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.176 -0.350 19752 8332 1 12 . 1 1 94 94 HIS C C 94 173.575 173.575 172.737 0.838 19752 8333 1 12 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.951 0.269 19752 8334 1 12 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.080 -2.347 19752 8335 1 12 . 1 1 94 94 HIS H H 94 8.337 8.337 8.712 -0.375 19752 8336 1 12 . 1 1 95 95 ILE N N 95 118.964 118.964 121.600 -2.636 19752 8337 1 12 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.659 0.552 19752 8338 1 12 . 1 1 95 95 ILE C C 95 174.555 174.555 173.759 0.796 19752 8339 1 12 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.830 1.153 19752 8340 1 12 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.539 -1.756 19752 8341 1 12 . 1 1 95 95 ILE H H 95 8.116 8.116 8.048 0.068 19752 8342 1 12 . 1 1 96 96 TRP N N 96 127.092 127.092 128.578 -1.486 19752 8343 1 12 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.615 -0.138 19752 8344 1 12 . 1 1 96 96 TRP C C 96 176.216 176.216 175.896 0.320 19752 8345 1 12 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.036 -0.793 19752 8346 1 12 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.467 -0.699 19752 8347 1 12 . 1 1 96 96 TRP H H 96 9.869 9.869 9.304 0.565 19752 8348 1 12 . 1 1 97 97 ILE N N 97 113.283 113.283 119.215 -5.932 19752 8349 1 12 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.203 0.269 19752 8350 1 12 . 1 1 97 97 ILE C C 97 175.278 175.278 175.322 -0.044 19752 8351 1 12 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.027 0.157 19752 8352 1 12 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.227 0.422 19752 8353 1 12 . 1 1 97 97 ILE H H 97 8.893 8.893 8.921 -0.028 19752 8354 1 12 . 1 1 98 98 GLY N N 98 109.684 109.684 114.062 -4.378 19752 8355 1 12 . 1 1 98 98 GLY C C 98 172.048 172.048 172.501 -0.453 19752 8356 1 12 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.680 1.440 19752 8357 1 12 . 1 1 98 98 GLY H H 98 9.043 9.043 9.230 -0.187 19752 8358 1 12 . 1 1 99 99 TYR N N 99 117.809 117.809 122.756 -4.947 19752 8359 1 12 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.891 0.017 19752 8360 1 12 . 1 1 99 99 TYR C C 99 172.626 172.626 172.941 -0.315 19752 8361 1 12 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.308 0.951 19752 8362 1 12 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.554 -0.407 19752 8363 1 12 . 1 1 99 99 TYR H H 99 8.434 8.434 8.395 0.039 19752 8364 1 12 . 1 1 100 100 ASN N N 100 117.139 117.139 119.156 -2.017 19752 8365 1 12 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.172 0.114 19752 8366 1 12 . 1 1 100 100 ASN C C 100 175.315 175.315 174.696 0.619 19752 8367 1 12 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.119 -0.133 19752 8368 1 12 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.384 -1.009 19752 8369 1 12 . 1 1 100 100 ASN H H 100 8.844 8.844 8.738 0.106 19752 8370 1 12 . 1 1 101 101 ALA N N 101 126.218 126.218 125.975 0.243 19752 8371 1 12 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.922 -0.285 19752 8372 1 12 . 1 1 101 101 ALA C C 101 179.095 179.095 178.535 0.560 19752 8373 1 12 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.389 0.823 19752 8374 1 12 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.636 0.006 19752 8375 1 12 . 1 1 101 101 ALA H H 101 8.870 8.870 8.912 -0.042 19752 8376 1 12 . 1 1 102 102 TYR N N 102 121.067 121.067 118.931 2.136 19752 8377 1 12 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.255 0.084 19752 8378 1 12 . 1 1 102 102 TYR C C 102 175.986 175.986 176.377 -0.391 19752 8379 1 12 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.278 -0.134 19752 8380 1 12 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.697 -0.044 19752 8381 1 12 . 1 1 102 102 TYR H H 102 8.720 8.720 8.592 0.128 19752 8382 1 12 . 1 1 103 103 ASN N N 103 115.289 115.289 118.080 -2.791 19752 8383 1 12 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.728 -0.316 19752 8384 1 12 . 1 1 103 103 ASN C C 103 175.963 175.963 176.085 -0.122 19752 8385 1 12 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.809 -0.564 19752 8386 1 12 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.808 -1.563 19752 8387 1 12 . 1 1 103 103 ASN H H 103 7.490 7.490 7.460 0.030 19752 8388 1 12 . 1 1 104 104 GLY N N 104 107.204 107.204 107.354 -0.150 19752 8389 1 12 . 1 1 104 104 GLY C C 104 174.620 174.620 173.545 1.075 19752 8390 1 12 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.094 0.034 19752 8391 1 12 . 1 1 104 104 GLY H H 104 8.020 8.020 8.283 -0.263 19752 8392 1 12 . 1 1 105 105 ASN N N 105 118.581 118.581 119.024 -0.443 19752 8393 1 12 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.659 -0.083 19752 8394 1 12 . 1 1 105 105 ASN C C 105 173.805 173.805 174.038 -0.233 19752 8395 1 12 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.908 1.121 19752 8396 1 12 . 1 1 105 105 ASN CB C 105 38.984 38.984 40.139 -1.155 19752 8397 1 12 . 1 1 105 105 ASN H H 105 7.703 7.703 7.619 0.084 19752 8398 1 12 . 1 1 106 106 ARG N N 106 123.191 123.191 124.966 -1.775 19752 8399 1 12 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.431 0.133 19752 8400 1 12 . 1 1 106 106 ARG C C 106 174.360 174.360 175.029 -0.669 19752 8401 1 12 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.939 -1.277 19752 8402 1 12 . 1 1 106 106 ARG CB C 106 30.607 30.607 30.025 0.582 19752 8403 1 12 . 1 1 106 106 ARG H H 106 8.635 8.635 8.640 -0.005 19752 8404 1 12 . 1 1 107 107 VAL N N 107 128.482 128.482 126.491 1.991 19752 8405 1 12 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.511 0.042 19752 8406 1 12 . 1 1 107 107 VAL C C 107 172.290 172.290 173.750 -1.460 19752 8407 1 12 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.814 -0.130 19752 8408 1 12 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.774 -0.297 19752 8409 1 12 . 1 1 107 107 VAL H H 107 8.668 8.668 8.325 0.343 19752 8410 1 12 . 1 1 108 108 TYR N N 108 119.055 119.055 123.525 -4.470 19752 8411 1 12 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.647 -0.154 19752 8412 1 12 . 1 1 108 108 TYR C C 108 175.215 175.215 175.331 -0.116 19752 8413 1 12 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.133 0.439 19752 8414 1 12 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.868 0.567 19752 8415 1 12 . 1 1 108 108 TYR H H 108 8.944 8.944 9.227 -0.283 19752 8416 1 12 . 1 1 109 109 CYS N N 109 124.377 124.377 122.320 2.057 19752 8417 1 12 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.203 0.242 19752 8418 1 12 . 1 1 109 109 CYS C C 109 171.899 171.899 173.778 -1.879 19752 8419 1 12 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.229 -1.064 19752 8420 1 12 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.281 -1.478 19752 8421 1 12 . 1 1 109 109 CYS H H 109 9.675 9.675 8.767 0.908 19752 8422 1 12 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.154 1.025 19752 8423 1 12 . 1 1 110 110 PRO C C 110 175.490 175.490 177.215 -1.725 19752 8424 1 12 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.825 -1.227 19752 8425 1 12 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.173 -1.717 19752 8426 1 12 . 1 1 111 111 VAL N N 111 109.293 109.293 112.097 -2.804 19752 8427 1 12 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.535 0.874 19752 8428 1 12 . 1 1 111 111 VAL C C 111 173.598 173.598 174.442 -0.844 19752 8429 1 12 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.178 -4.085 19752 8430 1 12 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.703 3.818 19752 8431 1 12 . 1 1 111 111 VAL H H 111 8.382 8.382 7.550 0.832 19752 8432 1 12 . 1 1 112 112 ARG N N 112 110.825 110.825 116.028 -5.203 19752 8433 1 12 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.523 -1.365 19752 8434 1 12 . 1 1 112 112 ARG C C 112 175.480 175.480 174.856 0.624 19752 8435 1 12 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.843 0.606 19752 8436 1 12 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.405 -1.259 19752 8437 1 12 . 1 1 112 112 ARG H H 112 6.735 6.735 7.846 -1.111 19752 8438 1 12 . 1 1 113 113 THR N N 113 111.002 111.002 118.764 -7.762 19752 8439 1 12 . 1 1 113 113 THR HA H 113 4.238 4.238 3.674 0.564 19752 8440 1 12 . 1 1 113 113 THR C C 113 174.123 174.123 173.948 0.175 19752 8441 1 12 . 1 1 113 113 THR CA C 113 62.468 62.468 64.834 -2.366 19752 8442 1 12 . 1 1 113 113 THR CB C 113 70.502 70.502 68.970 1.532 19752 8443 1 12 . 1 1 113 113 THR H H 113 8.898 8.898 7.675 1.223 19752 8444 1 12 . 1 1 114 114 CYS N N 114 119.522 119.522 126.093 -6.571 19752 8445 1 12 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.372 -0.857 19752 8446 1 12 . 1 1 114 114 CYS C C 114 172.669 172.669 173.278 -0.609 19752 8447 1 12 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.755 1.862 19752 8448 1 12 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.069 -0.524 19752 8449 1 12 . 1 1 114 114 CYS H H 114 7.936 7.936 8.449 -0.513 19752 8450 1 12 . 1 1 115 115 GLN N N 115 129.342 129.342 123.147 6.195 19752 8451 1 12 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.703 -0.075 19752 8452 1 12 . 1 1 115 115 GLN C C 115 175.456 175.456 175.578 -0.122 19752 8453 1 12 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.887 -0.645 19752 8454 1 12 . 1 1 115 115 GLN CB C 115 31.176 31.176 30.715 0.461 19752 8455 1 12 . 1 1 115 115 GLN H H 115 7.963 7.963 8.656 -0.693 19752 8456 1 12 . 1 1 116 116 GLY N N 116 112.311 112.311 107.247 5.064 19752 8457 1 12 . 1 1 116 116 GLY C C 116 171.907 171.907 172.255 -0.348 19752 8458 1 12 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.696 -0.479 19752 8459 1 12 . 1 1 116 116 GLY H H 116 8.591 8.591 8.128 0.463 19752 8460 1 12 . 1 1 117 117 VAL N N 117 110.113 110.113 114.680 -4.567 19752 8461 1 12 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.523 -0.385 19752 8462 1 12 . 1 1 117 117 VAL C C 117 171.857 171.857 173.008 -1.151 19752 8463 1 12 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.894 0.063 19752 8464 1 12 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.954 -1.405 19752 8465 1 12 . 1 1 117 117 VAL H H 117 7.745 7.745 7.692 0.053 19752 8466 1 12 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.937 0.559 19752 8467 1 12 . 1 1 118 118 PRO CA C 118 61.490 61.490 61.910 -0.420 19752 8468 1 12 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.837 -1.077 19752 8469 1 12 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.906 0.470 19752 8470 1 12 . 1 1 119 119 PRO C C 119 176.006 176.006 176.188 -0.182 19752 8471 1 12 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.090 1.065 19752 8472 1 12 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.538 1.497 19752 8473 1 12 . 1 1 120 120 ASN N N 120 124.472 124.472 119.374 5.098 19752 8474 1 12 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.462 0.442 19752 8475 1 12 . 1 1 120 120 ASN C C 120 172.963 172.963 173.727 -0.764 19752 8476 1 12 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.432 0.683 19752 8477 1 12 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.451 0.776 19752 8478 1 12 . 1 1 120 120 ASN H H 120 8.414 8.414 7.786 0.628 19752 8479 1 12 . 1 1 121 121 HIS N N 121 120.276 120.276 120.689 -0.413 19752 8480 1 12 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.128 -0.701 19752 8481 1 12 . 1 1 121 121 HIS C C 121 174.788 174.788 174.571 0.217 19752 8482 1 12 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.222 2.478 19752 8483 1 12 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.796 -0.088 19752 8484 1 12 . 1 1 121 121 HIS H H 121 8.591 8.591 7.539 1.052 19752 8485 1 12 . 1 1 122 122 ILE N N 122 120.474 120.474 124.725 -4.251 19752 8486 1 12 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.436 -0.091 19752 8487 1 12 . 1 1 122 122 ILE C C 122 174.718 174.718 174.193 0.525 19752 8488 1 12 . 1 1 122 122 ILE CA C 122 58.130 58.130 57.968 0.162 19752 8489 1 12 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.747 2.023 19752 8490 1 12 . 1 1 122 122 ILE H H 122 8.883 8.883 9.105 -0.222 19752 8491 1 12 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.414 -0.918 19752 8492 1 12 . 1 1 123 123 PRO C C 123 177.104 177.104 176.541 0.563 19752 8493 1 12 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.468 1.139 19752 8494 1 12 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.792 -0.263 19752 8495 1 12 . 1 1 124 124 GLY N N 124 111.030 111.030 110.171 0.859 19752 8496 1 12 . 1 1 124 124 GLY C C 124 173.906 173.906 173.786 0.120 19752 8497 1 12 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.846 -1.729 19752 8498 1 12 . 1 1 124 124 GLY H H 124 8.553 8.553 8.458 0.095 19752 8499 1 12 . 1 1 125 125 VAL N N 125 121.916 121.916 122.422 -0.506 19752 8500 1 12 . 1 1 125 125 VAL HA H 125 3.920 3.920 4.054 -0.134 19752 8501 1 12 . 1 1 125 125 VAL C C 125 176.148 176.148 174.646 1.502 19752 8502 1 12 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.274 2.364 19752 8503 1 12 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.392 -0.274 19752 8504 1 12 . 1 1 125 125 VAL H H 125 8.493 8.493 7.991 0.502 19752 8505 1 12 . 1 1 126 126 ALA N N 126 127.872 127.872 129.609 -1.737 19752 8506 1 12 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.387 0.103 19752 8507 1 12 . 1 1 126 126 ALA C C 126 179.447 179.447 176.988 2.459 19752 8508 1 12 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.253 1.416 19752 8509 1 12 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.336 0.292 19752 8510 1 12 . 1 1 126 126 ALA H H 126 8.835 8.835 8.482 0.353 19752 8511 1 12 . 1 1 127 127 TRP N N 127 121.928 121.928 124.434 -2.506 19752 8512 1 12 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.963 0.150 19752 8513 1 12 . 1 1 127 127 TRP C C 127 174.684 174.684 175.647 -0.963 19752 8514 1 12 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.228 -0.599 19752 8515 1 12 . 1 1 127 127 TRP CB C 127 28.154 28.154 29.562 -1.408 19752 8516 1 12 . 1 1 127 127 TRP H H 127 8.555 8.555 8.760 -0.205 19752 8517 1 12 . 1 1 128 128 GLY N N 128 103.981 103.981 105.513 -1.532 19752 8518 1 12 . 1 1 128 128 GLY C C 128 171.694 171.694 172.441 -0.747 19752 8519 1 12 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.820 0.869 19752 8520 1 12 . 1 1 128 128 GLY H H 128 7.280 7.280 7.623 -0.344 19752 8521 1 12 . 1 1 129 129 VAL N N 129 119.078 119.078 120.558 -1.480 19752 8522 1 12 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.506 -0.163 19752 8523 1 12 . 1 1 129 129 VAL C C 129 173.255 173.255 174.858 -1.603 19752 8524 1 12 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.370 0.291 19752 8525 1 12 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.882 1.669 19752 8526 1 12 . 1 1 129 129 VAL H H 129 8.274 8.274 8.397 -0.123 19752 8527 1 12 . 1 1 130 130 PHE N N 130 122.633 122.633 126.321 -3.688 19752 8528 1 12 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.267 0.277 19752 8529 1 12 . 1 1 130 130 PHE C C 130 175.771 175.771 176.000 -0.229 19752 8530 1 12 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.850 -0.674 19752 8531 1 12 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.509 0.161 19752 8532 1 12 . 1 1 130 130 PHE H H 130 8.464 8.464 8.936 -0.472 19752 8533 1 13 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.799 -0.033 19752 8534 1 13 . 1 1 2 2 ASN C C 2 174.930 174.930 174.696 0.234 19752 8535 1 13 . 1 1 2 2 ASN CA C 2 53.209 53.209 52.961 0.249 19752 8536 1 13 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.835 0.378 19752 8537 1 13 . 1 1 3 3 ALA N N 3 124.643 124.643 129.011 -4.368 19752 8538 1 13 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.342 -0.078 19752 8539 1 13 . 1 1 3 3 ALA C C 3 177.790 177.790 176.618 1.172 19752 8540 1 13 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.903 0.934 19752 8541 1 13 . 1 1 3 3 ALA CB C 3 19.240 19.240 17.627 1.613 19752 8542 1 13 . 1 1 3 3 ALA H H 3 8.386 8.386 8.889 -0.503 19752 8543 1 13 . 1 1 4 4 LYS N N 4 120.203 120.203 120.964 -0.761 19752 8544 1 13 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.160 0.063 19752 8545 1 13 . 1 1 4 4 LYS C C 4 176.230 176.230 177.032 -0.802 19752 8546 1 13 . 1 1 4 4 LYS CA C 4 56.534 56.534 57.010 -0.476 19752 8547 1 13 . 1 1 4 4 LYS CB C 4 32.811 32.811 33.375 -0.564 19752 8548 1 13 . 1 1 4 4 LYS H H 4 8.300 8.300 8.092 0.208 19752 8549 1 13 . 1 1 5 5 ASN N N 5 119.229 119.229 118.035 1.194 19752 8550 1 13 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.636 0.032 19752 8551 1 13 . 1 1 5 5 ASN C C 5 175.033 175.033 175.702 -0.669 19752 8552 1 13 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.512 -0.387 19752 8553 1 13 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.057 0.720 19752 8554 1 13 . 1 1 5 5 ASN H H 5 8.320 8.320 8.115 0.205 19752 8555 1 13 . 1 1 6 6 TYR N N 6 120.593 120.593 111.606 8.987 19752 8556 1 13 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.134 0.376 19752 8557 1 13 . 1 1 6 6 TYR C C 6 175.554 175.554 175.648 -0.094 19752 8558 1 13 . 1 1 6 6 TYR CA C 6 58.213 58.213 59.734 -1.521 19752 8559 1 13 . 1 1 6 6 TYR CB C 6 38.601 38.601 35.961 2.640 19752 8560 1 13 . 1 1 6 6 TYR H H 6 8.087 8.087 7.850 0.237 19752 8561 1 13 . 1 1 7 7 MET N N 7 121.477 121.477 118.937 2.540 19752 8562 1 13 . 1 1 7 7 MET HA H 7 4.391 4.391 4.746 -0.355 19752 8563 1 13 . 1 1 7 7 MET C C 7 175.609 175.609 175.895 -0.286 19752 8564 1 13 . 1 1 7 7 MET CA C 7 55.494 55.494 54.296 1.198 19752 8565 1 13 . 1 1 7 7 MET CB C 7 32.970 32.970 30.079 2.891 19752 8566 1 13 . 1 1 7 7 MET H H 7 8.121 8.121 8.177 -0.056 19752 8567 1 13 . 1 1 8 8 ASP N N 8 121.704 121.704 120.535 1.169 19752 8568 1 13 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.746 -0.191 19752 8569 1 13 . 1 1 8 8 ASP C C 8 176.344 176.344 176.755 -0.411 19752 8570 1 13 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.341 0.130 19752 8571 1 13 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.910 -0.588 19752 8572 1 13 . 1 1 8 8 ASP H H 8 8.189 8.189 8.403 -0.214 19752 8573 1 13 . 1 1 9 9 LYS N N 9 122.168 122.168 121.879 0.289 19752 8574 1 13 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.325 -0.018 19752 8575 1 13 . 1 1 9 9 LYS C C 9 177.267 177.267 177.966 -0.699 19752 8576 1 13 . 1 1 9 9 LYS CA C 9 56.622 56.622 57.232 -0.610 19752 8577 1 13 . 1 1 9 9 LYS CB C 9 32.765 32.765 33.314 -0.549 19752 8578 1 13 . 1 1 9 9 LYS H H 9 8.335 8.335 7.729 0.606 19752 8579 1 13 . 1 1 10 10 GLY N N 10 109.505 109.505 109.769 -0.264 19752 8580 1 13 . 1 1 10 10 GLY C C 10 174.568 174.568 173.489 1.079 19752 8581 1 13 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.188 0.395 19752 8582 1 13 . 1 1 10 10 GLY H H 10 8.497 8.497 8.075 0.422 19752 8583 1 13 . 1 1 11 11 THR N N 11 113.312 113.312 118.675 -5.363 19752 8584 1 13 . 1 1 11 11 THR HA H 11 4.396 4.396 4.608 -0.212 19752 8585 1 13 . 1 1 11 11 THR C C 11 174.719 174.719 173.626 1.093 19752 8586 1 13 . 1 1 11 11 THR CA C 11 61.779 61.779 61.663 0.116 19752 8587 1 13 . 1 1 11 11 THR CB C 11 69.963 69.963 72.599 -2.636 19752 8588 1 13 . 1 1 11 11 THR H H 11 8.081 8.081 7.760 0.321 19752 8589 1 13 . 1 1 12 12 SER N N 12 118.272 118.272 122.221 -3.949 19752 8590 1 13 . 1 1 12 12 SER HA H 12 4.499 4.499 4.435 0.064 19752 8591 1 13 . 1 1 12 12 SER C C 12 174.766 174.766 174.622 0.144 19752 8592 1 13 . 1 1 12 12 SER CA C 12 58.432 58.432 58.197 0.235 19752 8593 1 13 . 1 1 12 12 SER CB C 12 63.986 63.986 63.550 0.436 19752 8594 1 13 . 1 1 12 12 SER H H 12 8.413 8.413 8.470 -0.057 19752 8595 1 13 . 1 1 13 13 SER N N 13 118.106 118.106 120.144 -2.038 19752 8596 1 13 . 1 1 13 13 SER HA H 13 4.518 4.518 4.591 -0.073 19752 8597 1 13 . 1 1 13 13 SER C C 13 174.674 174.674 174.514 0.160 19752 8598 1 13 . 1 1 13 13 SER CA C 13 58.607 58.607 57.117 1.490 19752 8599 1 13 . 1 1 13 13 SER CB C 13 63.869 63.869 63.468 0.401 19752 8600 1 13 . 1 1 13 13 SER H H 13 8.414 8.414 8.329 0.085 19752 8601 1 13 . 1 1 14 14 SER N N 14 117.724 117.724 119.954 -2.230 19752 8602 1 13 . 1 1 14 14 SER HA H 14 4.535 4.535 4.145 0.390 19752 8603 1 13 . 1 1 14 14 SER C C 14 174.743 174.743 173.876 0.867 19752 8604 1 13 . 1 1 14 14 SER CA C 14 58.630 58.630 59.430 -0.800 19752 8605 1 13 . 1 1 14 14 SER CB C 14 63.798 63.798 62.473 1.325 19752 8606 1 13 . 1 1 14 14 SER H H 14 8.379 8.379 9.007 -0.628 19752 8607 1 13 . 1 1 15 15 THR N N 15 116.549 116.549 116.204 0.345 19752 8608 1 13 . 1 1 15 15 THR HA H 15 4.336 4.336 4.356 -0.020 19752 8609 1 13 . 1 1 15 15 THR C C 15 174.310 174.310 174.008 0.302 19752 8610 1 13 . 1 1 15 15 THR CA C 15 62.161 62.161 62.142 0.019 19752 8611 1 13 . 1 1 15 15 THR CB C 15 69.603 69.603 68.147 1.456 19752 8612 1 13 . 1 1 15 15 THR H H 15 8.195 8.195 7.982 0.213 19752 8613 1 13 . 1 1 16 16 VAL N N 16 123.406 123.406 120.541 2.865 19752 8614 1 13 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.382 -0.280 19752 8615 1 13 . 1 1 16 16 VAL C C 16 175.934 175.934 176.005 -0.071 19752 8616 1 13 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.641 0.871 19752 8617 1 13 . 1 1 16 16 VAL CB C 16 32.738 32.738 31.828 0.910 19752 8618 1 13 . 1 1 16 16 VAL H H 16 8.121 8.121 7.681 0.440 19752 8619 1 13 . 1 1 17 17 VAL N N 17 125.445 125.445 121.962 3.483 19752 8620 1 13 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.050 0.035 19752 8621 1 13 . 1 1 17 17 VAL C C 17 176.102 176.102 175.997 0.105 19752 8622 1 13 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.154 -0.875 19752 8623 1 13 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.655 0.022 19752 8624 1 13 . 1 1 17 17 VAL H H 17 8.293 8.293 7.614 0.679 19752 8625 1 13 . 1 1 18 18 LYS N N 18 126.281 126.281 128.561 -2.280 19752 8626 1 13 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.380 -0.038 19752 8627 1 13 . 1 1 18 18 LYS C C 18 176.138 176.138 175.676 0.462 19752 8628 1 13 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.275 0.930 19752 8629 1 13 . 1 1 18 18 LYS CB C 18 33.146 33.146 33.134 0.012 19752 8630 1 13 . 1 1 18 18 LYS H H 18 8.478 8.478 8.230 0.248 19752 8631 1 13 . 1 1 19 19 ASP N N 19 121.904 121.904 126.400 -4.496 19752 8632 1 13 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.480 0.084 19752 8633 1 13 . 1 1 19 19 ASP C C 19 176.698 176.698 176.590 0.108 19752 8634 1 13 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.572 -0.188 19752 8635 1 13 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.547 -0.324 19752 8636 1 13 . 1 1 19 19 ASP H H 19 8.379 8.379 8.544 -0.165 19752 8637 1 13 . 1 1 20 20 GLY N N 20 109.177 109.177 110.707 -1.530 19752 8638 1 13 . 1 1 20 20 GLY C C 20 174.374 174.374 174.251 0.123 19752 8639 1 13 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.424 1.214 19752 8640 1 13 . 1 1 20 20 GLY H H 20 8.390 8.390 8.354 0.036 19752 8641 1 13 . 1 1 21 21 LYS N N 21 120.814 120.814 123.611 -2.797 19752 8642 1 13 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.304 0.085 19752 8643 1 13 . 1 1 21 21 LYS C C 21 177.041 177.041 175.881 1.160 19752 8644 1 13 . 1 1 21 21 LYS CA C 21 56.576 56.576 57.142 -0.566 19752 8645 1 13 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.278 0.812 19752 8646 1 13 . 1 1 21 21 LYS H H 21 8.229 8.229 8.507 -0.278 19752 8647 1 13 . 1 1 22 22 THR N N 22 115.105 115.105 121.562 -6.457 19752 8648 1 13 . 1 1 22 22 THR HA H 22 4.393 4.393 4.562 -0.169 19752 8649 1 13 . 1 1 22 22 THR C C 22 174.607 174.607 173.288 1.319 19752 8650 1 13 . 1 1 22 22 THR CA C 22 61.880 61.880 61.130 0.750 19752 8651 1 13 . 1 1 22 22 THR CB C 22 69.736 69.736 70.413 -0.677 19752 8652 1 13 . 1 1 22 22 THR H H 22 8.237 8.237 8.121 0.116 19752 8653 1 13 . 1 1 24 24 SER HA H 24 4.486 4.486 4.357 0.129 19752 8654 1 13 . 1 1 24 24 SER C C 24 174.299 174.299 174.361 -0.062 19752 8655 1 13 . 1 1 24 24 SER CA C 24 58.547 58.547 59.029 -0.482 19752 8656 1 13 . 1 1 24 24 SER CB C 24 63.787 63.787 63.582 0.205 19752 8657 1 13 . 1 1 25 25 ALA N N 25 125.891 125.891 128.642 -2.751 19752 8658 1 13 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.508 -0.132 19752 8659 1 13 . 1 1 25 25 ALA C C 25 177.660 177.660 176.774 0.886 19752 8660 1 13 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.838 0.791 19752 8661 1 13 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.651 -0.360 19752 8662 1 13 . 1 1 25 25 ALA H H 25 8.328 8.328 7.999 0.329 19752 8663 1 13 . 1 1 26 26 SER N N 26 115.155 115.155 115.093 0.062 19752 8664 1 13 . 1 1 26 26 SER HA H 26 4.486 4.486 4.362 0.124 19752 8665 1 13 . 1 1 26 26 SER C C 26 174.291 174.291 173.558 0.733 19752 8666 1 13 . 1 1 26 26 SER CA C 26 58.237 58.237 58.587 -0.350 19752 8667 1 13 . 1 1 26 26 SER CB C 26 63.917 63.917 62.909 1.008 19752 8668 1 13 . 1 1 26 26 SER H H 26 8.267 8.267 8.202 0.065 19752 8669 1 13 . 1 1 27 27 THR N N 27 118.324 118.324 114.851 3.473 19752 8670 1 13 . 1 1 27 27 THR HA H 27 4.627 4.627 4.525 0.102 19752 8671 1 13 . 1 1 27 27 THR C C 27 172.782 172.782 173.801 -1.019 19752 8672 1 13 . 1 1 27 27 THR CA C 27 59.748 59.748 60.045 -0.297 19752 8673 1 13 . 1 1 27 27 THR CB C 27 69.702 69.702 68.986 0.716 19752 8674 1 13 . 1 1 27 27 THR H H 27 8.164 8.164 7.939 0.225 19752 8675 1 13 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.132 0.271 19752 8676 1 13 . 1 1 28 28 PRO C C 28 176.630 176.630 176.889 -0.259 19752 8677 1 13 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.251 -1.001 19752 8678 1 13 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.416 0.750 19752 8679 1 13 . 1 1 29 29 ALA N N 29 124.263 124.263 117.913 6.350 19752 8680 1 13 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.993 0.356 19752 8681 1 13 . 1 1 29 29 ALA C C 29 177.974 177.974 176.532 1.442 19752 8682 1 13 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.735 -0.080 19752 8683 1 13 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.606 1.671 19752 8684 1 13 . 1 1 29 29 ALA H H 29 8.432 8.432 7.870 0.562 19752 8685 1 13 . 1 1 30 30 THR N N 30 113.368 113.368 109.575 3.793 19752 8686 1 13 . 1 1 30 30 THR HA H 30 4.281 4.281 3.999 0.282 19752 8687 1 13 . 1 1 30 30 THR C C 30 174.257 174.257 173.946 0.311 19752 8688 1 13 . 1 1 30 30 THR CA C 30 61.656 61.656 63.042 -1.386 19752 8689 1 13 . 1 1 30 30 THR CB C 30 69.801 69.801 68.639 1.162 19752 8690 1 13 . 1 1 30 30 THR H H 30 8.106 8.106 7.848 0.258 19752 8691 1 13 . 1 1 31 31 ARG N N 31 124.700 124.700 122.173 2.527 19752 8692 1 13 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.450 0.200 19752 8693 1 13 . 1 1 31 31 ARG C C 31 174.094 174.094 174.549 -0.455 19752 8694 1 13 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.432 -2.381 19752 8695 1 13 . 1 1 31 31 ARG CB C 31 30.374 30.374 30.712 -0.338 19752 8696 1 13 . 1 1 31 31 ARG H H 31 8.318 8.318 8.253 0.065 19752 8697 1 13 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.625 -0.126 19752 8698 1 13 . 1 1 32 32 PRO C C 32 177.065 177.065 175.905 1.160 19752 8699 1 13 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.776 0.284 19752 8700 1 13 . 1 1 32 32 PRO CB C 32 32.157 32.157 30.605 1.552 19752 8701 1 13 . 1 1 33 33 VAL N N 33 120.890 120.890 119.270 1.620 19752 8702 1 13 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.473 -0.265 19752 8703 1 13 . 1 1 33 33 VAL C C 33 176.668 176.668 176.488 0.180 19752 8704 1 13 . 1 1 33 33 VAL CA C 33 62.608 62.608 59.026 3.582 19752 8705 1 13 . 1 1 33 33 VAL CB C 33 32.747 32.747 33.328 -0.581 19752 8706 1 13 . 1 1 33 33 VAL H H 33 8.447 8.447 7.731 0.716 19752 8707 1 13 . 1 1 34 34 THR N N 34 116.709 116.709 118.450 -1.741 19752 8708 1 13 . 1 1 34 34 THR HA H 34 4.377 4.377 4.220 0.157 19752 8709 1 13 . 1 1 34 34 THR C C 34 174.791 174.791 174.886 -0.095 19752 8710 1 13 . 1 1 34 34 THR CA C 34 61.700 61.700 63.386 -1.687 19752 8711 1 13 . 1 1 34 34 THR CB C 34 69.697 69.697 66.876 2.821 19752 8712 1 13 . 1 1 34 34 THR H H 34 8.221 8.221 8.509 -0.288 19752 8713 1 13 . 1 1 35 35 GLY N N 35 111.182 111.182 110.868 0.314 19752 8714 1 13 . 1 1 35 35 GLY C C 35 173.940 173.940 175.053 -1.113 19752 8715 1 13 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.108 0.547 19752 8716 1 13 . 1 1 35 35 GLY H H 35 8.376 8.376 8.231 0.145 19752 8717 1 13 . 1 1 36 36 SER N N 36 116.779 116.779 114.828 1.951 19752 8718 1 13 . 1 1 36 36 SER HA H 36 4.456 4.456 4.566 -0.110 19752 8719 1 13 . 1 1 36 36 SER C C 36 173.880 173.880 174.293 -0.413 19752 8720 1 13 . 1 1 36 36 SER CA C 36 58.255 58.255 58.988 -0.733 19752 8721 1 13 . 1 1 36 36 SER CB C 36 64.195 64.195 64.373 -0.178 19752 8722 1 13 . 1 1 36 36 SER H H 36 8.456 8.456 8.005 0.451 19752 8723 1 13 . 1 1 37 37 TRP N N 37 121.744 121.744 121.287 0.457 19752 8724 1 13 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.852 -0.324 19752 8725 1 13 . 1 1 37 37 TRP C C 37 176.500 176.500 175.606 0.894 19752 8726 1 13 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.252 0.838 19752 8727 1 13 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.694 0.313 19752 8728 1 13 . 1 1 37 37 TRP H H 37 8.171 8.171 7.690 0.481 19752 8729 1 13 . 1 1 38 38 LYS N N 38 123.158 123.158 120.145 3.013 19752 8730 1 13 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.844 -0.218 19752 8731 1 13 . 1 1 38 38 LYS C C 38 172.839 172.839 174.747 -1.908 19752 8732 1 13 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.192 0.964 19752 8733 1 13 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.698 0.958 19752 8734 1 13 . 1 1 38 38 LYS H H 38 8.736 8.736 8.883 -0.147 19752 8735 1 13 . 1 1 39 39 LYS N N 39 121.526 121.526 123.267 -1.741 19752 8736 1 13 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.554 0.186 19752 8737 1 13 . 1 1 39 39 LYS C C 39 177.510 177.510 175.979 1.531 19752 8738 1 13 . 1 1 39 39 LYS CA C 39 54.316 54.316 54.544 -0.228 19752 8739 1 13 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.405 -0.048 19752 8740 1 13 . 1 1 39 39 LYS H H 39 8.123 8.123 8.327 -0.204 19752 8741 1 13 . 1 1 40 40 ASN N N 40 123.988 123.988 126.148 -2.160 19752 8742 1 13 . 1 1 40 40 ASN HA H 40 5.056 5.056 5.051 0.005 19752 8743 1 13 . 1 1 40 40 ASN C C 40 177.524 177.524 176.393 1.131 19752 8744 1 13 . 1 1 40 40 ASN CA C 40 50.840 50.840 51.900 -1.060 19752 8745 1 13 . 1 1 40 40 ASN CB C 40 39.156 39.156 39.614 -0.458 19752 8746 1 13 . 1 1 40 40 ASN H H 40 8.583 8.583 8.956 -0.373 19752 8747 1 13 . 1 1 41 41 GLN N N 41 116.529 116.529 117.374 -0.845 19752 8748 1 13 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.979 0.081 19752 8749 1 13 . 1 1 41 41 GLN C C 41 175.829 175.829 175.859 -0.030 19752 8750 1 13 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.353 -0.592 19752 8751 1 13 . 1 1 41 41 GLN CB C 41 27.947 27.947 27.999 -0.052 19752 8752 1 13 . 1 1 41 41 GLN H H 41 8.856 8.856 8.773 0.083 19752 8753 1 13 . 1 1 42 42 TYR N N 42 119.255 119.255 118.668 0.587 19752 8754 1 13 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.503 0.148 19752 8755 1 13 . 1 1 42 42 TYR C C 42 175.782 175.782 175.957 -0.175 19752 8756 1 13 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.642 -0.522 19752 8757 1 13 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.042 0.076 19752 8758 1 13 . 1 1 42 42 TYR H H 42 7.604 7.604 7.489 0.115 19752 8759 1 13 . 1 1 43 43 GLY N N 43 106.354 106.354 107.558 -1.204 19752 8760 1 13 . 1 1 43 43 GLY C C 43 173.297 173.297 174.601 -1.304 19752 8761 1 13 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.029 0.133 19752 8762 1 13 . 1 1 43 43 GLY H H 43 7.993 7.993 7.866 0.127 19752 8763 1 13 . 1 1 44 44 THR N N 44 120.062 120.062 118.664 1.398 19752 8764 1 13 . 1 1 44 44 THR HA H 44 4.176 4.176 4.512 -0.336 19752 8765 1 13 . 1 1 44 44 THR C C 44 173.969 173.969 173.801 0.168 19752 8766 1 13 . 1 1 44 44 THR CA C 44 62.132 62.132 63.460 -1.328 19752 8767 1 13 . 1 1 44 44 THR CB C 44 68.989 68.989 69.957 -0.967 19752 8768 1 13 . 1 1 44 44 THR H H 44 7.781 7.781 8.129 -0.348 19752 8769 1 13 . 1 1 45 45 TRP N N 45 129.666 129.666 126.423 3.243 19752 8770 1 13 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.334 0.342 19752 8771 1 13 . 1 1 45 45 TRP C C 45 175.999 175.999 176.480 -0.481 19752 8772 1 13 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.751 -0.145 19752 8773 1 13 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.823 -0.182 19752 8774 1 13 . 1 1 45 45 TRP H H 45 8.041 8.041 8.543 -0.502 19752 8775 1 13 . 1 1 46 46 TYR N N 46 122.938 122.938 118.417 4.521 19752 8776 1 13 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.084 0.254 19752 8777 1 13 . 1 1 46 46 TYR C C 46 173.663 173.663 173.382 0.281 19752 8778 1 13 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.430 0.877 19752 8779 1 13 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.348 1.777 19752 8780 1 13 . 1 1 46 46 TYR H H 46 10.329 10.329 9.495 0.834 19752 8781 1 13 . 1 1 47 47 LYS N N 47 118.986 118.986 117.214 1.772 19752 8782 1 13 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.784 -0.013 19752 8783 1 13 . 1 1 47 47 LYS C C 47 172.462 172.462 173.771 -1.309 19752 8784 1 13 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.736 0.976 19752 8785 1 13 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.520 -0.402 19752 8786 1 13 . 1 1 47 47 LYS H H 47 8.923 8.923 9.176 -0.253 19752 8787 1 13 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.951 -0.149 19752 8788 1 13 . 1 1 48 48 PRO C C 48 176.747 176.747 175.927 0.820 19752 8789 1 13 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.652 0.013 19752 8790 1 13 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.741 0.298 19752 8791 1 13 . 1 1 49 49 GLU N N 49 125.285 125.285 124.453 0.832 19752 8792 1 13 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.477 -0.489 19752 8793 1 13 . 1 1 49 49 GLU C C 49 170.927 170.927 174.375 -3.448 19752 8794 1 13 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.765 2.105 19752 8795 1 13 . 1 1 49 49 GLU CB C 49 33.230 33.230 33.215 0.015 19752 8796 1 13 . 1 1 49 49 GLU H H 49 7.771 7.771 8.457 -0.686 19752 8797 1 13 . 1 1 50 50 ASN N N 50 122.328 122.328 123.738 -1.410 19752 8798 1 13 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.612 -0.214 19752 8799 1 13 . 1 1 50 50 ASN C C 50 173.648 173.648 173.465 0.183 19752 8800 1 13 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.227 -0.541 19752 8801 1 13 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.627 0.019 19752 8802 1 13 . 1 1 50 50 ASN H H 50 8.148 8.148 8.530 -0.382 19752 8803 1 13 . 1 1 51 51 ALA N N 51 126.527 126.527 127.974 -1.447 19752 8804 1 13 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.416 0.037 19752 8805 1 13 . 1 1 51 51 ALA C C 51 172.872 172.872 174.476 -1.604 19752 8806 1 13 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.171 0.426 19752 8807 1 13 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.220 -2.550 19752 8808 1 13 . 1 1 51 51 ALA H H 51 7.085 7.085 7.468 -0.383 19752 8809 1 13 . 1 1 52 52 THR N N 52 112.831 112.831 115.426 -2.595 19752 8810 1 13 . 1 1 52 52 THR HA H 52 5.167 5.167 4.924 0.243 19752 8811 1 13 . 1 1 52 52 THR C C 52 172.852 172.852 172.984 -0.132 19752 8812 1 13 . 1 1 52 52 THR CA C 52 62.232 62.232 62.083 0.149 19752 8813 1 13 . 1 1 52 52 THR CB C 52 71.068 71.068 69.965 1.103 19752 8814 1 13 . 1 1 52 52 THR H H 52 8.036 8.036 8.391 -0.355 19752 8815 1 13 . 1 1 53 53 PHE N N 53 127.883 127.883 129.294 -1.411 19752 8816 1 13 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.219 0.104 19752 8817 1 13 . 1 1 53 53 PHE C C 53 172.928 172.928 173.145 -0.217 19752 8818 1 13 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.559 -0.284 19752 8819 1 13 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.016 1.189 19752 8820 1 13 . 1 1 53 53 PHE H H 53 9.714 9.714 9.562 0.152 19752 8821 1 13 . 1 1 54 54 VAL N N 54 127.284 127.284 128.728 -1.444 19752 8822 1 13 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.013 0.307 19752 8823 1 13 . 1 1 54 54 VAL C C 54 175.842 175.842 174.188 1.654 19752 8824 1 13 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.977 -0.825 19752 8825 1 13 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.542 0.196 19752 8826 1 13 . 1 1 54 54 VAL H H 54 8.583 8.583 8.823 -0.240 19752 8827 1 13 . 1 1 55 55 ASN N N 55 125.723 125.723 125.009 0.714 19752 8828 1 13 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.391 -0.231 19752 8829 1 13 . 1 1 55 55 ASN C C 55 176.333 176.333 174.809 1.524 19752 8830 1 13 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.644 0.945 19752 8831 1 13 . 1 1 55 55 ASN CB C 55 38.645 38.645 40.613 -1.968 19752 8832 1 13 . 1 1 55 55 ASN H H 55 8.970 8.970 7.970 1.000 19752 8833 1 13 . 1 1 56 56 GLY N N 56 114.389 114.389 110.342 4.047 19752 8834 1 13 . 1 1 56 56 GLY C C 56 173.882 173.882 174.050 -0.168 19752 8835 1 13 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.057 -1.381 19752 8836 1 13 . 1 1 56 56 GLY H H 56 8.360 8.360 8.616 -0.256 19752 8837 1 13 . 1 1 57 57 ASN N N 57 115.511 115.511 119.149 -3.638 19752 8838 1 13 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.603 -0.092 19752 8839 1 13 . 1 1 57 57 ASN C C 57 174.741 174.741 175.528 -0.787 19752 8840 1 13 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.081 0.132 19752 8841 1 13 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.421 0.208 19752 8842 1 13 . 1 1 57 57 ASN H H 57 8.149 8.149 8.618 -0.469 19752 8843 1 13 . 1 1 58 58 GLN N N 58 118.128 118.128 116.842 1.286 19752 8844 1 13 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.769 0.191 19752 8845 1 13 . 1 1 58 58 GLN C C 58 172.603 172.603 173.055 -0.452 19752 8846 1 13 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.504 0.129 19752 8847 1 13 . 1 1 58 58 GLN CB C 58 30.568 30.568 28.492 2.076 19752 8848 1 13 . 1 1 58 58 GLN H H 58 7.702 7.702 7.777 -0.075 19752 8849 1 13 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.862 0.078 19752 8850 1 13 . 1 1 59 59 PRO C C 59 176.506 176.506 176.246 0.260 19752 8851 1 13 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.447 -0.191 19752 8852 1 13 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.731 -0.071 19752 8853 1 13 . 1 1 60 60 ILE N N 60 120.974 120.974 122.631 -1.657 19752 8854 1 13 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.289 -0.015 19752 8855 1 13 . 1 1 60 60 ILE C C 60 175.190 175.190 175.099 0.091 19752 8856 1 13 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.531 0.156 19752 8857 1 13 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.882 0.863 19752 8858 1 13 . 1 1 60 60 ILE H H 60 8.126 8.126 8.907 -0.781 19752 8859 1 13 . 1 1 61 61 VAL N N 61 128.224 128.224 129.055 -0.831 19752 8860 1 13 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.449 -0.336 19752 8861 1 13 . 1 1 61 61 VAL C C 61 175.973 175.973 175.415 0.558 19752 8862 1 13 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.521 2.755 19752 8863 1 13 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.721 -0.791 19752 8864 1 13 . 1 1 61 61 VAL H H 61 8.421 8.421 8.690 -0.269 19752 8865 1 13 . 1 1 62 62 THR N N 62 118.454 118.454 122.491 -4.037 19752 8866 1 13 . 1 1 62 62 THR HA H 62 5.021 5.021 4.751 0.270 19752 8867 1 13 . 1 1 62 62 THR C C 62 174.936 174.936 174.246 0.690 19752 8868 1 13 . 1 1 62 62 THR CA C 62 61.286 61.286 61.166 0.120 19752 8869 1 13 . 1 1 62 62 THR CB C 62 71.133 71.133 70.610 0.523 19752 8870 1 13 . 1 1 62 62 THR H H 62 7.989 7.989 9.262 -1.273 19752 8871 1 13 . 1 1 63 63 ARG N N 63 118.225 118.225 118.655 -0.430 19752 8872 1 13 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.440 -0.011 19752 8873 1 13 . 1 1 63 63 ARG C C 63 175.607 175.607 175.658 -0.051 19752 8874 1 13 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.091 -0.444 19752 8875 1 13 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.173 0.430 19752 8876 1 13 . 1 1 63 63 ARG H H 63 9.336 9.336 9.145 0.191 19752 8877 1 13 . 1 1 64 64 ILE N N 64 119.746 119.746 121.904 -2.158 19752 8878 1 13 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.062 0.403 19752 8879 1 13 . 1 1 64 64 ILE C C 64 179.206 179.206 177.349 1.857 19752 8880 1 13 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.655 -1.466 19752 8881 1 13 . 1 1 64 64 ILE CB C 64 38.248 38.248 37.684 0.564 19752 8882 1 13 . 1 1 64 64 ILE H H 64 8.741 8.741 8.609 0.132 19752 8883 1 13 . 1 1 65 65 GLY N N 65 116.059 116.059 118.620 -2.561 19752 8884 1 13 . 1 1 65 65 GLY C C 65 174.185 174.185 173.861 0.324 19752 8885 1 13 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.348 1.323 19752 8886 1 13 . 1 1 65 65 GLY H H 65 9.316 9.316 9.049 0.267 19752 8887 1 13 . 1 1 66 66 SER N N 66 114.840 114.840 116.027 -1.187 19752 8888 1 13 . 1 1 66 66 SER HA H 66 4.160 4.160 4.162 -0.002 19752 8889 1 13 . 1 1 66 66 SER C C 66 170.281 170.281 171.444 -1.163 19752 8890 1 13 . 1 1 66 66 SER CA C 66 56.207 56.207 54.762 1.445 19752 8891 1 13 . 1 1 66 66 SER CB C 66 63.737 63.737 65.225 -1.488 19752 8892 1 13 . 1 1 66 66 SER H H 66 7.412 7.412 7.447 -0.035 19752 8893 1 13 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.713 -1.074 19752 8894 1 13 . 1 1 67 67 PRO C C 67 170.030 170.030 174.395 -4.365 19752 8895 1 13 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.283 -1.613 19752 8896 1 13 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.303 -5.393 19752 8897 1 13 . 1 1 68 68 PHE N N 68 111.778 111.778 118.846 -7.068 19752 8898 1 13 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.401 0.092 19752 8899 1 13 . 1 1 68 68 PHE C C 68 177.055 177.055 175.909 1.146 19752 8900 1 13 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.688 -1.060 19752 8901 1 13 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.750 1.608 19752 8902 1 13 . 1 1 68 68 PHE H H 68 6.610 6.610 7.054 -0.444 19752 8903 1 13 . 1 1 69 69 LEU N N 69 119.491 119.491 122.731 -3.240 19752 8904 1 13 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.330 -0.017 19752 8905 1 13 . 1 1 69 69 LEU C C 69 176.326 176.326 177.370 -1.044 19752 8906 1 13 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.710 -1.479 19752 8907 1 13 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.856 -0.986 19752 8908 1 13 . 1 1 69 69 LEU H H 69 8.388 8.388 8.554 -0.166 19752 8909 1 13 . 1 1 70 70 ASN N N 70 112.229 112.229 114.874 -2.645 19752 8910 1 13 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.764 0.078 19752 8911 1 13 . 1 1 70 70 ASN C C 70 175.620 175.620 174.760 0.860 19752 8912 1 13 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.140 -0.472 19752 8913 1 13 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.425 0.228 19752 8914 1 13 . 1 1 70 70 ASN H H 70 7.675 7.675 8.448 -0.773 19752 8915 1 13 . 1 1 71 71 ALA N N 71 123.955 123.955 124.818 -0.863 19752 8916 1 13 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.352 0.207 19752 8917 1 13 . 1 1 71 71 ALA C C 71 174.274 174.274 175.850 -1.576 19752 8918 1 13 . 1 1 71 71 ALA CA C 71 51.470 51.470 51.244 0.226 19752 8919 1 13 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.166 -0.323 19752 8920 1 13 . 1 1 71 71 ALA H H 71 7.152 7.152 7.228 -0.076 19752 8921 1 13 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.346 0.067 19752 8922 1 13 . 1 1 72 72 PRO C C 72 176.342 176.342 176.023 0.319 19752 8923 1 13 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.447 -0.328 19752 8924 1 13 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.723 0.433 19752 8925 1 13 . 1 1 73 73 VAL N N 73 121.078 121.078 118.419 2.659 19752 8926 1 13 . 1 1 73 73 VAL HA H 73 4.284 4.284 5.007 -0.723 19752 8927 1 13 . 1 1 73 73 VAL C C 73 177.864 177.864 177.401 0.463 19752 8928 1 13 . 1 1 73 73 VAL CA C 73 63.277 63.277 58.926 4.351 19752 8929 1 13 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.282 -1.558 19752 8930 1 13 . 1 1 73 73 VAL H H 73 8.328 8.328 8.012 0.316 19752 8931 1 13 . 1 1 74 74 GLY N N 74 114.118 114.118 108.234 5.884 19752 8932 1 13 . 1 1 74 74 GLY C C 74 173.963 173.963 174.266 -0.303 19752 8933 1 13 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.935 -0.150 19752 8934 1 13 . 1 1 74 74 GLY H H 74 8.781 8.781 8.859 -0.078 19752 8935 1 13 . 1 1 75 75 GLY N N 75 107.324 107.324 110.086 -2.762 19752 8936 1 13 . 1 1 75 75 GLY C C 75 173.460 173.460 172.764 0.696 19752 8937 1 13 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.144 -0.396 19752 8938 1 13 . 1 1 75 75 GLY H H 75 7.278 7.278 7.891 -0.613 19752 8939 1 13 . 1 1 76 76 ASN N N 76 119.682 119.682 124.044 -4.362 19752 8940 1 13 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.754 0.668 19752 8941 1 13 . 1 1 76 76 ASN C C 76 175.760 175.760 174.651 1.109 19752 8942 1 13 . 1 1 76 76 ASN CA C 76 52.277 52.277 53.201 -0.924 19752 8943 1 13 . 1 1 76 76 ASN CB C 76 39.213 39.213 39.633 -0.420 19752 8944 1 13 . 1 1 76 76 ASN H H 76 8.797 8.797 8.630 0.167 19752 8945 1 13 . 1 1 77 77 LEU N N 77 129.545 129.545 129.473 0.072 19752 8946 1 13 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.991 -0.120 19752 8947 1 13 . 1 1 77 77 LEU C C 77 174.374 174.374 174.584 -0.210 19752 8948 1 13 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.082 1.132 19752 8949 1 13 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.932 -0.861 19752 8950 1 13 . 1 1 77 77 LEU H H 77 10.083 10.083 8.884 1.199 19752 8951 1 13 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.495 -0.166 19752 8952 1 13 . 1 1 78 78 PRO C C 78 177.553 177.553 176.000 1.553 19752 8953 1 13 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.131 0.450 19752 8954 1 13 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.664 0.057 19752 8955 1 13 . 1 1 79 79 ALA N N 79 125.294 125.294 122.264 3.030 19752 8956 1 13 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.248 0.012 19752 8957 1 13 . 1 1 79 79 ALA C C 79 179.984 179.984 178.156 1.828 19752 8958 1 13 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.964 0.214 19752 8959 1 13 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.557 -0.311 19752 8960 1 13 . 1 1 79 79 ALA H H 79 8.585 8.585 8.303 0.282 19752 8961 1 13 . 1 1 80 80 GLY N N 80 110.970 110.970 110.836 0.134 19752 8962 1 13 . 1 1 80 80 GLY C C 80 173.499 173.499 173.978 -0.479 19752 8963 1 13 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.584 1.370 19752 8964 1 13 . 1 1 80 80 GLY H H 80 8.004 8.004 8.495 -0.491 19752 8965 1 13 . 1 1 81 81 ALA N N 81 122.249 122.249 124.001 -1.752 19752 8966 1 13 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.377 -0.126 19752 8967 1 13 . 1 1 81 81 ALA C C 81 175.709 175.709 176.339 -0.630 19752 8968 1 13 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.491 0.274 19752 8969 1 13 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.393 1.460 19752 8970 1 13 . 1 1 81 81 ALA H H 81 7.363 7.363 7.435 -0.072 19752 8971 1 13 . 1 1 82 82 THR N N 82 114.980 114.980 120.520 -5.540 19752 8972 1 13 . 1 1 82 82 THR HA H 82 5.171 5.171 4.723 0.448 19752 8973 1 13 . 1 1 82 82 THR C C 82 174.618 174.618 173.564 1.054 19752 8974 1 13 . 1 1 82 82 THR CA C 82 62.118 62.118 62.213 -0.095 19752 8975 1 13 . 1 1 82 82 THR CB C 82 70.555 70.555 68.729 1.826 19752 8976 1 13 . 1 1 82 82 THR H H 82 8.181 8.181 8.347 -0.166 19752 8977 1 13 . 1 1 83 83 ILE N N 83 127.480 127.480 129.161 -1.681 19752 8978 1 13 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.376 0.028 19752 8979 1 13 . 1 1 83 83 ILE C C 83 173.926 173.926 174.261 -0.335 19752 8980 1 13 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.774 -0.435 19752 8981 1 13 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.500 1.728 19752 8982 1 13 . 1 1 83 83 ILE H H 83 9.627 9.627 9.330 0.297 19752 8983 1 13 . 1 1 84 84 VAL N N 84 128.246 128.246 128.850 -0.604 19752 8984 1 13 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.449 0.224 19752 8985 1 13 . 1 1 84 84 VAL C C 84 175.501 175.501 174.809 0.692 19752 8986 1 13 . 1 1 84 84 VAL CA C 84 62.135 62.135 61.014 1.121 19752 8987 1 13 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.995 -1.339 19752 8988 1 13 . 1 1 84 84 VAL H H 84 8.059 8.059 8.646 -0.587 19752 8989 1 13 . 1 1 85 85 TYR N N 85 126.862 126.862 125.817 1.045 19752 8990 1 13 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.829 0.596 19752 8991 1 13 . 1 1 85 85 TYR C C 85 174.273 174.273 173.744 0.529 19752 8992 1 13 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.394 0.417 19752 8993 1 13 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.058 2.218 19752 8994 1 13 . 1 1 85 85 TYR H H 85 8.840 8.840 8.659 0.181 19752 8995 1 13 . 1 1 86 86 ASP N N 86 115.086 115.086 120.606 -5.520 19752 8996 1 13 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.894 0.574 19752 8997 1 13 . 1 1 86 86 ASP C C 86 177.943 177.943 175.663 2.280 19752 8998 1 13 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.928 0.275 19752 8999 1 13 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.681 -0.106 19752 9000 1 13 . 1 1 86 86 ASP H H 86 8.843 8.843 9.020 -0.177 19752 9001 1 13 . 1 1 87 87 GLU N N 87 124.208 124.208 119.219 4.989 19752 9002 1 13 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.242 -0.127 19752 9003 1 13 . 1 1 87 87 GLU C C 87 173.613 173.613 174.436 -0.823 19752 9004 1 13 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.039 0.733 19752 9005 1 13 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.703 1.804 19752 9006 1 13 . 1 1 87 87 GLU H H 87 8.121 8.121 8.013 0.108 19752 9007 1 13 . 1 1 88 88 VAL N N 88 121.754 121.754 125.588 -3.834 19752 9008 1 13 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.840 0.874 19752 9009 1 13 . 1 1 88 88 VAL C C 88 175.480 175.480 174.832 0.648 19752 9010 1 13 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.534 -0.764 19752 9011 1 13 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.069 1.575 19752 9012 1 13 . 1 1 88 88 VAL H H 88 8.822 8.822 9.029 -0.207 19752 9013 1 13 . 1 1 89 89 CYS N N 89 118.234 118.234 125.210 -6.976 19752 9014 1 13 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.969 0.330 19752 9015 1 13 . 1 1 89 89 CYS C C 89 174.126 174.126 174.266 -0.140 19752 9016 1 13 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.699 -0.614 19752 9017 1 13 . 1 1 89 89 CYS CB C 89 33.104 33.104 32.392 0.712 19752 9018 1 13 . 1 1 89 89 CYS H H 89 9.404 9.404 9.527 -0.123 19752 9019 1 13 . 1 1 90 90 ILE N N 90 122.085 122.085 122.334 -0.249 19752 9020 1 13 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.606 0.627 19752 9021 1 13 . 1 1 90 90 ILE C C 90 176.210 176.210 174.133 2.077 19752 9022 1 13 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.615 0.944 19752 9023 1 13 . 1 1 90 90 ILE CB C 90 41.489 41.489 40.257 1.232 19752 9024 1 13 . 1 1 90 90 ILE H H 90 9.773 9.773 9.442 0.331 19752 9025 1 13 . 1 1 91 91 GLN N N 91 125.884 125.884 126.970 -1.086 19752 9026 1 13 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.859 -0.240 19752 9027 1 13 . 1 1 91 91 GLN C C 91 176.019 176.019 174.499 1.520 19752 9028 1 13 . 1 1 91 91 GLN CA C 91 55.222 55.222 52.954 2.268 19752 9029 1 13 . 1 1 91 91 GLN CB C 91 31.193 31.193 33.147 -1.954 19752 9030 1 13 . 1 1 91 91 GLN H H 91 8.910 8.910 8.728 0.182 19752 9031 1 13 . 1 1 92 92 ALA N N 92 131.300 131.300 128.475 2.825 19752 9032 1 13 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.163 0.361 19752 9033 1 13 . 1 1 92 92 ALA C C 92 178.514 178.514 177.723 0.791 19752 9034 1 13 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.090 -0.624 19752 9035 1 13 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.340 -0.071 19752 9036 1 13 . 1 1 92 92 ALA H H 92 9.888 9.888 8.846 1.042 19752 9037 1 13 . 1 1 93 93 GLY N N 93 107.622 107.622 112.403 -4.781 19752 9038 1 13 . 1 1 93 93 GLY C C 93 174.796 174.796 173.602 1.194 19752 9039 1 13 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.129 1.341 19752 9040 1 13 . 1 1 93 93 GLY H H 93 9.675 9.675 8.629 1.046 19752 9041 1 13 . 1 1 94 94 HIS N N 94 118.233 118.233 119.604 -1.371 19752 9042 1 13 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.182 -0.356 19752 9043 1 13 . 1 1 94 94 HIS C C 94 173.575 173.575 172.991 0.584 19752 9044 1 13 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.638 0.582 19752 9045 1 13 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.727 -1.994 19752 9046 1 13 . 1 1 94 94 HIS H H 94 8.337 8.337 8.477 -0.140 19752 9047 1 13 . 1 1 95 95 ILE N N 95 118.964 118.964 121.516 -2.552 19752 9048 1 13 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.526 0.685 19752 9049 1 13 . 1 1 95 95 ILE C C 95 174.555 174.555 173.845 0.710 19752 9050 1 13 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.315 0.667 19752 9051 1 13 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.346 -1.563 19752 9052 1 13 . 1 1 95 95 ILE H H 95 8.116 8.116 8.024 0.092 19752 9053 1 13 . 1 1 96 96 TRP N N 96 127.092 127.092 127.715 -0.623 19752 9054 1 13 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.685 -0.208 19752 9055 1 13 . 1 1 96 96 TRP C C 96 176.216 176.216 175.642 0.574 19752 9056 1 13 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.346 -1.103 19752 9057 1 13 . 1 1 96 96 TRP CB C 96 31.768 31.768 33.281 -1.513 19752 9058 1 13 . 1 1 96 96 TRP H H 96 9.869 9.869 9.123 0.746 19752 9059 1 13 . 1 1 97 97 ILE N N 97 113.283 113.283 117.616 -4.333 19752 9060 1 13 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.342 0.130 19752 9061 1 13 . 1 1 97 97 ILE C C 97 175.278 175.278 174.890 0.388 19752 9062 1 13 . 1 1 97 97 ILE CA C 97 59.184 59.184 58.630 0.554 19752 9063 1 13 . 1 1 97 97 ILE CB C 97 39.649 39.649 41.113 -1.464 19752 9064 1 13 . 1 1 97 97 ILE H H 97 8.893 8.893 8.952 -0.059 19752 9065 1 13 . 1 1 98 98 GLY N N 98 109.684 109.684 112.419 -2.735 19752 9066 1 13 . 1 1 98 98 GLY C C 98 172.048 172.048 172.227 -0.179 19752 9067 1 13 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.330 1.790 19752 9068 1 13 . 1 1 98 98 GLY H H 98 9.043 9.043 9.094 -0.051 19752 9069 1 13 . 1 1 99 99 TYR N N 99 117.809 117.809 121.785 -3.976 19752 9070 1 13 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.055 -0.147 19752 9071 1 13 . 1 1 99 99 TYR C C 99 172.626 172.626 172.925 -0.299 19752 9072 1 13 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.148 1.111 19752 9073 1 13 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.866 -0.719 19752 9074 1 13 . 1 1 99 99 TYR H H 99 8.434 8.434 8.731 -0.297 19752 9075 1 13 . 1 1 100 100 ASN N N 100 117.139 117.139 120.516 -3.377 19752 9076 1 13 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.168 0.118 19752 9077 1 13 . 1 1 100 100 ASN C C 100 175.315 175.315 174.928 0.387 19752 9078 1 13 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.983 0.004 19752 9079 1 13 . 1 1 100 100 ASN CB C 100 39.375 39.375 39.571 -0.196 19752 9080 1 13 . 1 1 100 100 ASN H H 100 8.844 8.844 8.714 0.130 19752 9081 1 13 . 1 1 101 101 ALA N N 101 126.218 126.218 129.031 -2.813 19752 9082 1 13 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.664 -0.027 19752 9083 1 13 . 1 1 101 101 ALA C C 101 179.095 179.095 178.552 0.543 19752 9084 1 13 . 1 1 101 101 ALA CA C 101 51.212 51.212 51.152 0.060 19752 9085 1 13 . 1 1 101 101 ALA CB C 101 20.642 20.642 19.947 0.695 19752 9086 1 13 . 1 1 101 101 ALA H H 101 8.870 8.870 8.900 -0.030 19752 9087 1 13 . 1 1 102 102 TYR N N 102 121.067 121.067 119.805 1.262 19752 9088 1 13 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.272 0.067 19752 9089 1 13 . 1 1 102 102 TYR C C 102 175.986 175.986 176.373 -0.387 19752 9090 1 13 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.114 0.030 19752 9091 1 13 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.626 0.027 19752 9092 1 13 . 1 1 102 102 TYR H H 102 8.720 8.720 8.680 0.040 19752 9093 1 13 . 1 1 103 103 ASN N N 103 115.289 115.289 118.324 -3.035 19752 9094 1 13 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.643 -0.231 19752 9095 1 13 . 1 1 103 103 ASN C C 103 175.963 175.963 176.204 -0.241 19752 9096 1 13 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.911 -0.665 19752 9097 1 13 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.648 -1.403 19752 9098 1 13 . 1 1 103 103 ASN H H 103 7.490 7.490 7.471 0.019 19752 9099 1 13 . 1 1 104 104 GLY N N 104 107.204 107.204 106.975 0.229 19752 9100 1 13 . 1 1 104 104 GLY C C 104 174.620 174.620 173.478 1.142 19752 9101 1 13 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.006 0.122 19752 9102 1 13 . 1 1 104 104 GLY H H 104 8.020 8.020 8.298 -0.278 19752 9103 1 13 . 1 1 105 105 ASN N N 105 118.581 118.581 118.885 -0.304 19752 9104 1 13 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.684 -0.108 19752 9105 1 13 . 1 1 105 105 ASN C C 105 173.805 173.805 173.836 -0.031 19752 9106 1 13 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.871 1.159 19752 9107 1 13 . 1 1 105 105 ASN CB C 105 38.984 38.984 40.504 -1.520 19752 9108 1 13 . 1 1 105 105 ASN H H 105 7.703 7.703 7.595 0.108 19752 9109 1 13 . 1 1 106 106 ARG N N 106 123.191 123.191 124.883 -1.692 19752 9110 1 13 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.621 -0.057 19752 9111 1 13 . 1 1 106 106 ARG C C 106 174.360 174.360 175.073 -0.713 19752 9112 1 13 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.395 -0.733 19752 9113 1 13 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.966 0.641 19752 9114 1 13 . 1 1 106 106 ARG H H 106 8.635 8.635 8.628 0.007 19752 9115 1 13 . 1 1 107 107 VAL N N 107 128.482 128.482 126.054 2.428 19752 9116 1 13 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.481 0.072 19752 9117 1 13 . 1 1 107 107 VAL C C 107 172.290 172.290 174.014 -1.724 19752 9118 1 13 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.751 -0.067 19752 9119 1 13 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.761 0.716 19752 9120 1 13 . 1 1 107 107 VAL H H 107 8.668 8.668 8.489 0.179 19752 9121 1 13 . 1 1 108 108 TYR N N 108 119.055 119.055 124.776 -5.721 19752 9122 1 13 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.712 -0.219 19752 9123 1 13 . 1 1 108 108 TYR C C 108 175.215 175.215 175.190 0.025 19752 9124 1 13 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.290 0.282 19752 9125 1 13 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.608 0.827 19752 9126 1 13 . 1 1 108 108 TYR H H 108 8.944 8.944 9.208 -0.264 19752 9127 1 13 . 1 1 109 109 CYS N N 109 124.377 124.377 122.067 2.310 19752 9128 1 13 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.054 0.391 19752 9129 1 13 . 1 1 109 109 CYS C C 109 171.899 171.899 173.534 -1.635 19752 9130 1 13 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.620 -1.455 19752 9131 1 13 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.151 -1.348 19752 9132 1 13 . 1 1 109 109 CYS H H 109 9.675 9.675 9.261 0.414 19752 9133 1 13 . 1 1 110 110 PRO HA H 110 4.179 4.179 2.915 1.264 19752 9134 1 13 . 1 1 110 110 PRO C C 110 175.490 175.490 177.142 -1.652 19752 9135 1 13 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.556 -0.958 19752 9136 1 13 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.088 -1.632 19752 9137 1 13 . 1 1 111 111 VAL N N 111 109.293 109.293 111.599 -2.306 19752 9138 1 13 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.502 0.907 19752 9139 1 13 . 1 1 111 111 VAL C C 111 173.598 173.598 174.533 -0.935 19752 9140 1 13 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.960 -3.868 19752 9141 1 13 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.338 3.183 19752 9142 1 13 . 1 1 111 111 VAL H H 111 8.382 8.382 7.369 1.013 19752 9143 1 13 . 1 1 112 112 ARG N N 112 110.825 110.825 116.383 -5.558 19752 9144 1 13 . 1 1 112 112 ARG HA H 112 3.158 3.158 3.820 -0.662 19752 9145 1 13 . 1 1 112 112 ARG C C 112 175.480 175.480 174.398 1.082 19752 9146 1 13 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.940 0.509 19752 9147 1 13 . 1 1 112 112 ARG CB C 112 32.146 32.146 32.888 -0.742 19752 9148 1 13 . 1 1 112 112 ARG H H 112 6.735 6.735 7.740 -1.005 19752 9149 1 13 . 1 1 113 113 THR N N 113 111.002 111.002 117.397 -6.395 19752 9150 1 13 . 1 1 113 113 THR HA H 113 4.238 4.238 4.223 0.015 19752 9151 1 13 . 1 1 113 113 THR C C 113 174.123 174.123 173.987 0.136 19752 9152 1 13 . 1 1 113 113 THR CA C 113 62.468 62.468 64.513 -2.045 19752 9153 1 13 . 1 1 113 113 THR CB C 113 70.502 70.502 69.043 1.459 19752 9154 1 13 . 1 1 113 113 THR H H 113 8.898 8.898 7.437 1.461 19752 9155 1 13 . 1 1 114 114 CYS N N 114 119.522 119.522 125.817 -6.295 19752 9156 1 13 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.343 -0.828 19752 9157 1 13 . 1 1 114 114 CYS C C 114 172.669 172.669 172.953 -0.284 19752 9158 1 13 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.891 1.726 19752 9159 1 13 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.986 -1.441 19752 9160 1 13 . 1 1 114 114 CYS H H 114 7.936 7.936 8.426 -0.490 19752 9161 1 13 . 1 1 115 115 GLN N N 115 129.342 129.342 121.416 7.926 19752 9162 1 13 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.601 0.027 19752 9163 1 13 . 1 1 115 115 GLN C C 115 175.456 175.456 175.904 -0.448 19752 9164 1 13 . 1 1 115 115 GLN CA C 115 54.242 54.242 53.931 0.311 19752 9165 1 13 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.637 -0.461 19752 9166 1 13 . 1 1 115 115 GLN H H 115 7.963 7.963 8.821 -0.858 19752 9167 1 13 . 1 1 116 116 GLY N N 116 112.311 112.311 107.673 4.638 19752 9168 1 13 . 1 1 116 116 GLY C C 116 171.907 171.907 172.310 -0.403 19752 9169 1 13 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.925 -0.708 19752 9170 1 13 . 1 1 116 116 GLY H H 116 8.591 8.591 8.205 0.386 19752 9171 1 13 . 1 1 117 117 VAL N N 117 110.113 110.113 120.303 -10.190 19752 9172 1 13 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.331 -0.193 19752 9173 1 13 . 1 1 117 117 VAL C C 117 171.857 171.857 173.662 -1.805 19752 9174 1 13 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.364 -0.407 19752 9175 1 13 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.798 -2.249 19752 9176 1 13 . 1 1 117 117 VAL H H 117 7.745 7.745 7.784 -0.039 19752 9177 1 13 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.812 0.684 19752 9178 1 13 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.395 -0.905 19752 9179 1 13 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.783 -1.023 19752 9180 1 13 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.716 0.660 19752 9181 1 13 . 1 1 119 119 PRO C C 119 176.006 176.006 176.212 -0.206 19752 9182 1 13 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.413 0.743 19752 9183 1 13 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.010 2.025 19752 9184 1 13 . 1 1 120 120 ASN N N 120 124.472 124.472 119.242 5.230 19752 9185 1 13 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.457 0.447 19752 9186 1 13 . 1 1 120 120 ASN C C 120 172.963 172.963 173.605 -0.642 19752 9187 1 13 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.532 0.583 19752 9188 1 13 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.531 0.696 19752 9189 1 13 . 1 1 120 120 ASN H H 120 8.414 8.414 7.566 0.848 19752 9190 1 13 . 1 1 121 121 HIS N N 121 120.276 120.276 120.933 -0.657 19752 9191 1 13 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.198 -0.771 19752 9192 1 13 . 1 1 121 121 HIS C C 121 174.788 174.788 174.816 -0.028 19752 9193 1 13 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.303 2.397 19752 9194 1 13 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.409 0.299 19752 9195 1 13 . 1 1 121 121 HIS H H 121 8.591 8.591 7.567 1.024 19752 9196 1 13 . 1 1 122 122 ILE N N 122 120.474 120.474 125.552 -5.078 19752 9197 1 13 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.484 -0.139 19752 9198 1 13 . 1 1 122 122 ILE C C 122 174.718 174.718 174.215 0.503 19752 9199 1 13 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.843 -0.713 19752 9200 1 13 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.101 1.669 19752 9201 1 13 . 1 1 122 122 ILE H H 122 8.883 8.883 9.191 -0.308 19752 9202 1 13 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.122 -0.626 19752 9203 1 13 . 1 1 123 123 PRO C C 123 177.104 177.104 176.278 0.826 19752 9204 1 13 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.962 0.645 19752 9205 1 13 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.713 -0.184 19752 9206 1 13 . 1 1 124 124 GLY N N 124 111.030 111.030 109.302 1.728 19752 9207 1 13 . 1 1 124 124 GLY C C 124 173.906 173.906 173.554 0.352 19752 9208 1 13 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.676 -1.559 19752 9209 1 13 . 1 1 124 124 GLY H H 124 8.553 8.553 8.330 0.223 19752 9210 1 13 . 1 1 125 125 VAL N N 125 121.916 121.916 121.770 0.146 19752 9211 1 13 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.965 -0.045 19752 9212 1 13 . 1 1 125 125 VAL C C 125 176.148 176.148 174.988 1.160 19752 9213 1 13 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.216 1.422 19752 9214 1 13 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.928 -0.810 19752 9215 1 13 . 1 1 125 125 VAL H H 125 8.493 8.493 8.039 0.454 19752 9216 1 13 . 1 1 126 126 ALA N N 126 127.872 127.872 128.705 -0.833 19752 9217 1 13 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.283 0.207 19752 9218 1 13 . 1 1 126 126 ALA C C 126 179.447 179.447 176.922 2.525 19752 9219 1 13 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.495 1.174 19752 9220 1 13 . 1 1 126 126 ALA CB C 126 20.628 20.628 19.640 0.988 19752 9221 1 13 . 1 1 126 126 ALA H H 126 8.835 8.835 8.167 0.668 19752 9222 1 13 . 1 1 127 127 TRP N N 127 121.928 121.928 123.292 -1.364 19752 9223 1 13 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.908 0.205 19752 9224 1 13 . 1 1 127 127 TRP C C 127 174.684 174.684 175.828 -1.144 19752 9225 1 13 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.575 0.054 19752 9226 1 13 . 1 1 127 127 TRP CB C 127 28.154 28.154 31.296 -3.142 19752 9227 1 13 . 1 1 127 127 TRP H H 127 8.555 8.555 8.264 0.291 19752 9228 1 13 . 1 1 128 128 GLY N N 128 103.981 103.981 105.413 -1.432 19752 9229 1 13 . 1 1 128 128 GLY C C 128 171.694 171.694 172.320 -0.626 19752 9230 1 13 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.956 0.732 19752 9231 1 13 . 1 1 128 128 GLY H H 128 7.280 7.280 7.632 -0.352 19752 9232 1 13 . 1 1 129 129 VAL N N 129 119.078 119.078 120.727 -1.649 19752 9233 1 13 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.418 -0.075 19752 9234 1 13 . 1 1 129 129 VAL C C 129 173.255 173.255 174.768 -1.513 19752 9235 1 13 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.772 -0.111 19752 9236 1 13 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.045 1.506 19752 9237 1 13 . 1 1 129 129 VAL H H 129 8.274 8.274 8.234 0.040 19752 9238 1 13 . 1 1 130 130 PHE N N 130 122.633 122.633 127.378 -4.745 19752 9239 1 13 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.269 0.275 19752 9240 1 13 . 1 1 130 130 PHE C C 130 175.771 175.771 175.928 -0.157 19752 9241 1 13 . 1 1 130 130 PHE CA C 130 57.176 57.176 58.202 -1.026 19752 9242 1 13 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.544 0.126 19752 9243 1 13 . 1 1 130 130 PHE H H 130 8.464 8.464 8.866 -0.402 19752 9244 1 14 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.725 0.041 19752 9245 1 14 . 1 1 2 2 ASN C C 2 174.930 174.930 174.848 0.082 19752 9246 1 14 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.188 0.021 19752 9247 1 14 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.592 0.621 19752 9248 1 14 . 1 1 3 3 ALA N N 3 124.643 124.643 125.140 -0.497 19752 9249 1 14 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.137 0.127 19752 9250 1 14 . 1 1 3 3 ALA C C 3 177.790 177.790 175.945 1.845 19752 9251 1 14 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.312 0.525 19752 9252 1 14 . 1 1 3 3 ALA CB C 3 19.240 19.240 18.896 0.344 19752 9253 1 14 . 1 1 3 3 ALA H H 3 8.386 8.386 8.240 0.146 19752 9254 1 14 . 1 1 4 4 LYS N N 4 120.203 120.203 120.641 -0.438 19752 9255 1 14 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.200 0.023 19752 9256 1 14 . 1 1 4 4 LYS C C 4 176.230 176.230 176.692 -0.462 19752 9257 1 14 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.112 0.422 19752 9258 1 14 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.532 0.279 19752 9259 1 14 . 1 1 4 4 LYS H H 4 8.300 8.300 8.252 0.048 19752 9260 1 14 . 1 1 5 5 ASN N N 5 119.229 119.229 124.607 -5.378 19752 9261 1 14 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.708 -0.040 19752 9262 1 14 . 1 1 5 5 ASN C C 5 175.033 175.033 173.761 1.272 19752 9263 1 14 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.430 -0.305 19752 9264 1 14 . 1 1 5 5 ASN CB C 5 38.777 38.777 37.840 0.937 19752 9265 1 14 . 1 1 5 5 ASN H H 5 8.320 8.320 8.782 -0.462 19752 9266 1 14 . 1 1 6 6 TYR N N 6 120.593 120.593 123.339 -2.746 19752 9267 1 14 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.546 -0.036 19752 9268 1 14 . 1 1 6 6 TYR C C 6 175.554 175.554 175.210 0.344 19752 9269 1 14 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.755 0.458 19752 9270 1 14 . 1 1 6 6 TYR CB C 6 38.601 38.601 40.370 -1.768 19752 9271 1 14 . 1 1 6 6 TYR H H 6 8.087 8.087 7.915 0.172 19752 9272 1 14 . 1 1 7 7 MET N N 7 121.477 121.477 124.519 -3.042 19752 9273 1 14 . 1 1 7 7 MET HA H 7 4.391 4.391 4.633 -0.242 19752 9274 1 14 . 1 1 7 7 MET C C 7 175.609 175.609 175.760 -0.151 19752 9275 1 14 . 1 1 7 7 MET CA C 7 55.494 55.494 54.061 1.433 19752 9276 1 14 . 1 1 7 7 MET CB C 7 32.970 32.970 30.437 2.533 19752 9277 1 14 . 1 1 7 7 MET H H 7 8.121 8.121 8.519 -0.398 19752 9278 1 14 . 1 1 8 8 ASP N N 8 121.704 121.704 124.714 -3.010 19752 9279 1 14 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.636 -0.081 19752 9280 1 14 . 1 1 8 8 ASP C C 8 176.344 176.344 176.666 -0.322 19752 9281 1 14 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.265 0.206 19752 9282 1 14 . 1 1 8 8 ASP CB C 8 41.322 41.322 43.016 -1.694 19752 9283 1 14 . 1 1 8 8 ASP H H 8 8.189 8.189 8.330 -0.141 19752 9284 1 14 . 1 1 9 9 LYS N N 9 122.168 122.168 123.927 -1.759 19752 9285 1 14 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.400 -0.093 19752 9286 1 14 . 1 1 9 9 LYS C C 9 177.267 177.267 176.379 0.888 19752 9287 1 14 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.338 0.284 19752 9288 1 14 . 1 1 9 9 LYS CB C 9 32.765 32.765 31.137 1.628 19752 9289 1 14 . 1 1 9 9 LYS H H 9 8.335 8.335 8.492 -0.157 19752 9290 1 14 . 1 1 10 10 GLY N N 10 109.505 109.505 111.970 -2.465 19752 9291 1 14 . 1 1 10 10 GLY C C 10 174.568 174.568 173.834 0.734 19752 9292 1 14 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.933 0.650 19752 9293 1 14 . 1 1 10 10 GLY H H 10 8.497 8.497 8.375 0.122 19752 9294 1 14 . 1 1 11 11 THR N N 11 113.312 113.312 117.252 -3.940 19752 9295 1 14 . 1 1 11 11 THR HA H 11 4.396 4.396 4.350 0.046 19752 9296 1 14 . 1 1 11 11 THR C C 11 174.719 174.719 174.165 0.554 19752 9297 1 14 . 1 1 11 11 THR CA C 11 61.779 61.779 62.174 -0.395 19752 9298 1 14 . 1 1 11 11 THR CB C 11 69.963 69.963 68.458 1.505 19752 9299 1 14 . 1 1 11 11 THR H H 11 8.081 8.081 8.164 -0.083 19752 9300 1 14 . 1 1 12 12 SER N N 12 118.272 118.272 122.726 -4.454 19752 9301 1 14 . 1 1 12 12 SER HA H 12 4.499 4.499 4.692 -0.193 19752 9302 1 14 . 1 1 12 12 SER C C 12 174.766 174.766 173.503 1.263 19752 9303 1 14 . 1 1 12 12 SER CA C 12 58.432 58.432 57.764 0.668 19752 9304 1 14 . 1 1 12 12 SER CB C 12 63.986 63.986 64.692 -0.706 19752 9305 1 14 . 1 1 12 12 SER H H 12 8.413 8.413 7.985 0.428 19752 9306 1 14 . 1 1 13 13 SER N N 13 118.106 118.106 120.978 -2.872 19752 9307 1 14 . 1 1 13 13 SER HA H 13 4.518 4.518 4.469 0.049 19752 9308 1 14 . 1 1 13 13 SER C C 13 174.674 174.674 175.094 -0.420 19752 9309 1 14 . 1 1 13 13 SER CA C 13 58.607 58.607 58.984 -0.377 19752 9310 1 14 . 1 1 13 13 SER CB C 13 63.869 63.869 63.754 0.115 19752 9311 1 14 . 1 1 13 13 SER H H 13 8.414 8.414 8.497 -0.083 19752 9312 1 14 . 1 1 14 14 SER N N 14 117.724 117.724 123.197 -5.473 19752 9313 1 14 . 1 1 14 14 SER HA H 14 4.535 4.535 4.476 0.059 19752 9314 1 14 . 1 1 14 14 SER C C 14 174.743 174.743 174.165 0.578 19752 9315 1 14 . 1 1 14 14 SER CA C 14 58.630 58.630 59.540 -0.910 19752 9316 1 14 . 1 1 14 14 SER CB C 14 63.798 63.798 61.328 2.470 19752 9317 1 14 . 1 1 14 14 SER H H 14 8.379 8.379 8.833 -0.454 19752 9318 1 14 . 1 1 15 15 THR N N 15 116.549 116.549 115.586 0.963 19752 9319 1 14 . 1 1 15 15 THR HA H 15 4.336 4.336 4.369 -0.033 19752 9320 1 14 . 1 1 15 15 THR C C 15 174.310 174.310 174.095 0.215 19752 9321 1 14 . 1 1 15 15 THR CA C 15 62.161 62.161 62.507 -0.346 19752 9322 1 14 . 1 1 15 15 THR CB C 15 69.603 69.603 70.090 -0.487 19752 9323 1 14 . 1 1 15 15 THR H H 15 8.195 8.195 8.609 -0.414 19752 9324 1 14 . 1 1 16 16 VAL N N 16 123.406 123.406 122.377 1.029 19752 9325 1 14 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.327 -0.225 19752 9326 1 14 . 1 1 16 16 VAL C C 16 175.934 175.934 175.260 0.674 19752 9327 1 14 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.313 1.199 19752 9328 1 14 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.807 -0.069 19752 9329 1 14 . 1 1 16 16 VAL H H 16 8.121 8.121 7.816 0.305 19752 9330 1 14 . 1 1 17 17 VAL N N 17 125.445 125.445 123.023 2.422 19752 9331 1 14 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.269 -0.184 19752 9332 1 14 . 1 1 17 17 VAL C C 17 176.102 176.102 176.067 0.035 19752 9333 1 14 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.345 -0.066 19752 9334 1 14 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.474 0.202 19752 9335 1 14 . 1 1 17 17 VAL H H 17 8.293 8.293 8.147 0.146 19752 9336 1 14 . 1 1 18 18 LYS N N 18 126.281 126.281 126.987 -0.706 19752 9337 1 14 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.267 0.075 19752 9338 1 14 . 1 1 18 18 LYS C C 18 176.138 176.138 175.749 0.389 19752 9339 1 14 . 1 1 18 18 LYS CA C 18 56.205 56.205 57.290 -1.085 19752 9340 1 14 . 1 1 18 18 LYS CB C 18 33.146 33.146 33.055 0.091 19752 9341 1 14 . 1 1 18 18 LYS H H 18 8.478 8.478 8.862 -0.384 19752 9342 1 14 . 1 1 19 19 ASP N N 19 121.904 121.904 115.653 6.251 19752 9343 1 14 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.662 -0.098 19752 9344 1 14 . 1 1 19 19 ASP C C 19 176.698 176.698 176.202 0.496 19752 9345 1 14 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.100 0.285 19752 9346 1 14 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.240 -1.017 19752 9347 1 14 . 1 1 19 19 ASP H H 19 8.379 8.379 7.679 0.700 19752 9348 1 14 . 1 1 20 20 GLY N N 20 109.177 109.177 111.144 -1.967 19752 9349 1 14 . 1 1 20 20 GLY C C 20 174.374 174.374 174.588 -0.214 19752 9350 1 14 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.204 0.434 19752 9351 1 14 . 1 1 20 20 GLY H H 20 8.390 8.390 8.573 -0.183 19752 9352 1 14 . 1 1 21 21 LYS N N 21 120.814 120.814 122.361 -1.547 19752 9353 1 14 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.318 0.071 19752 9354 1 14 . 1 1 21 21 LYS C C 21 177.041 177.041 177.228 -0.187 19752 9355 1 14 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.988 -0.412 19752 9356 1 14 . 1 1 21 21 LYS CB C 21 33.090 33.090 33.433 -0.343 19752 9357 1 14 . 1 1 21 21 LYS H H 21 8.229 8.229 8.146 0.083 19752 9358 1 14 . 1 1 22 22 THR N N 22 115.105 115.105 114.954 0.151 19752 9359 1 14 . 1 1 22 22 THR HA H 22 4.393 4.393 4.448 -0.055 19752 9360 1 14 . 1 1 22 22 THR C C 22 174.607 174.607 174.821 -0.214 19752 9361 1 14 . 1 1 22 22 THR CA C 22 61.880 61.880 61.948 -0.068 19752 9362 1 14 . 1 1 22 22 THR CB C 22 69.736 69.736 67.822 1.914 19752 9363 1 14 . 1 1 22 22 THR H H 22 8.237 8.237 8.131 0.106 19752 9364 1 14 . 1 1 24 24 SER HA H 24 4.486 4.486 4.465 0.021 19752 9365 1 14 . 1 1 24 24 SER C C 24 174.299 174.299 173.784 0.515 19752 9366 1 14 . 1 1 24 24 SER CA C 24 58.547 58.547 59.503 -0.956 19752 9367 1 14 . 1 1 24 24 SER CB C 24 63.787 63.787 63.723 0.064 19752 9368 1 14 . 1 1 25 25 ALA N N 25 125.891 125.891 125.929 -0.038 19752 9369 1 14 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.586 -0.210 19752 9370 1 14 . 1 1 25 25 ALA C C 25 177.660 177.660 176.226 1.434 19752 9371 1 14 . 1 1 25 25 ALA CA C 25 52.629 52.629 50.943 1.686 19752 9372 1 14 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.849 0.442 19752 9373 1 14 . 1 1 25 25 ALA H H 25 8.328 8.328 7.891 0.437 19752 9374 1 14 . 1 1 26 26 SER N N 26 115.155 115.155 120.989 -5.834 19752 9375 1 14 . 1 1 26 26 SER HA H 26 4.486 4.486 4.261 0.225 19752 9376 1 14 . 1 1 26 26 SER C C 26 174.291 174.291 174.531 -0.240 19752 9377 1 14 . 1 1 26 26 SER CA C 26 58.237 58.237 59.492 -1.254 19752 9378 1 14 . 1 1 26 26 SER CB C 26 63.917 63.917 63.132 0.785 19752 9379 1 14 . 1 1 26 26 SER H H 26 8.267 8.267 8.447 -0.180 19752 9380 1 14 . 1 1 27 27 THR N N 27 118.324 118.324 123.900 -5.576 19752 9381 1 14 . 1 1 27 27 THR HA H 27 4.627 4.627 4.637 -0.010 19752 9382 1 14 . 1 1 27 27 THR C C 27 172.782 172.782 173.725 -0.943 19752 9383 1 14 . 1 1 27 27 THR CA C 27 59.748 59.748 60.352 -0.605 19752 9384 1 14 . 1 1 27 27 THR CB C 27 69.702 69.702 69.183 0.519 19752 9385 1 14 . 1 1 27 27 THR H H 27 8.164 8.164 8.019 0.145 19752 9386 1 14 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.272 0.131 19752 9387 1 14 . 1 1 28 28 PRO C C 28 176.630 176.630 177.680 -1.050 19752 9388 1 14 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.167 -0.917 19752 9389 1 14 . 1 1 28 28 PRO CB C 28 32.165 32.165 32.029 0.136 19752 9390 1 14 . 1 1 29 29 ALA N N 29 124.263 124.263 119.544 4.719 19752 9391 1 14 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.969 0.380 19752 9392 1 14 . 1 1 29 29 ALA C C 29 177.974 177.974 179.205 -1.231 19752 9393 1 14 . 1 1 29 29 ALA CA C 29 52.655 52.655 54.425 -1.770 19752 9394 1 14 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.277 2.000 19752 9395 1 14 . 1 1 29 29 ALA H H 29 8.432 8.432 8.263 0.169 19752 9396 1 14 . 1 1 30 30 THR N N 30 113.368 113.368 115.930 -2.562 19752 9397 1 14 . 1 1 30 30 THR HA H 30 4.281 4.281 4.298 -0.017 19752 9398 1 14 . 1 1 30 30 THR C C 30 174.257 174.257 175.200 -0.943 19752 9399 1 14 . 1 1 30 30 THR CA C 30 61.656 61.656 62.309 -0.653 19752 9400 1 14 . 1 1 30 30 THR CB C 30 69.801 69.801 69.346 0.455 19752 9401 1 14 . 1 1 30 30 THR H H 30 8.106 8.106 8.291 -0.185 19752 9402 1 14 . 1 1 31 31 ARG N N 31 124.700 124.700 121.740 2.960 19752 9403 1 14 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.496 0.154 19752 9404 1 14 . 1 1 31 31 ARG C C 31 174.094 174.094 174.138 -0.044 19752 9405 1 14 . 1 1 31 31 ARG CA C 31 54.051 54.051 54.008 0.043 19752 9406 1 14 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.668 0.706 19752 9407 1 14 . 1 1 31 31 ARG H H 31 8.318 8.318 7.829 0.489 19752 9408 1 14 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.393 0.106 19752 9409 1 14 . 1 1 32 32 PRO C C 32 177.065 177.065 176.192 0.873 19752 9410 1 14 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.117 -0.057 19752 9411 1 14 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.213 0.944 19752 9412 1 14 . 1 1 33 33 VAL N N 33 120.890 120.890 126.275 -5.385 19752 9413 1 14 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.870 0.338 19752 9414 1 14 . 1 1 33 33 VAL C C 33 176.668 176.668 177.511 -0.843 19752 9415 1 14 . 1 1 33 33 VAL CA C 33 62.608 62.608 64.376 -1.768 19752 9416 1 14 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.051 0.696 19752 9417 1 14 . 1 1 33 33 VAL H H 33 8.447 8.447 8.146 0.301 19752 9418 1 14 . 1 1 34 34 THR N N 34 116.709 116.709 113.217 3.492 19752 9419 1 14 . 1 1 34 34 THR HA H 34 4.377 4.377 4.003 0.374 19752 9420 1 14 . 1 1 34 34 THR C C 34 174.791 174.791 175.767 -0.976 19752 9421 1 14 . 1 1 34 34 THR CA C 34 61.700 61.700 64.914 -3.214 19752 9422 1 14 . 1 1 34 34 THR CB C 34 69.697 69.697 67.574 2.123 19752 9423 1 14 . 1 1 34 34 THR H H 34 8.221 8.221 8.425 -0.204 19752 9424 1 14 . 1 1 35 35 GLY N N 35 111.182 111.182 111.428 -0.246 19752 9425 1 14 . 1 1 35 35 GLY C C 35 173.940 173.940 173.876 0.064 19752 9426 1 14 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.087 -0.431 19752 9427 1 14 . 1 1 35 35 GLY H H 35 8.376 8.376 8.383 -0.007 19752 9428 1 14 . 1 1 36 36 SER N N 36 116.779 116.779 117.648 -0.869 19752 9429 1 14 . 1 1 36 36 SER HA H 36 4.456 4.456 4.511 -0.055 19752 9430 1 14 . 1 1 36 36 SER C C 36 173.880 173.880 173.351 0.529 19752 9431 1 14 . 1 1 36 36 SER CA C 36 58.255 58.255 58.672 -0.417 19752 9432 1 14 . 1 1 36 36 SER CB C 36 64.195 64.195 64.516 -0.321 19752 9433 1 14 . 1 1 36 36 SER H H 36 8.456 8.456 8.502 -0.046 19752 9434 1 14 . 1 1 37 37 TRP N N 37 121.744 121.744 122.459 -0.715 19752 9435 1 14 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.999 -0.471 19752 9436 1 14 . 1 1 37 37 TRP C C 37 176.500 176.500 175.449 1.051 19752 9437 1 14 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.274 0.816 19752 9438 1 14 . 1 1 37 37 TRP CB C 37 31.007 31.007 31.099 -0.092 19752 9439 1 14 . 1 1 37 37 TRP H H 37 8.171 8.171 8.426 -0.255 19752 9440 1 14 . 1 1 38 38 LYS N N 38 123.158 123.158 121.034 2.124 19752 9441 1 14 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.580 0.046 19752 9442 1 14 . 1 1 38 38 LYS C C 38 172.839 172.839 174.464 -1.625 19752 9443 1 14 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.483 1.673 19752 9444 1 14 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.434 0.222 19752 9445 1 14 . 1 1 38 38 LYS H H 38 8.736 8.736 8.695 0.041 19752 9446 1 14 . 1 1 39 39 LYS N N 39 121.526 121.526 126.897 -5.371 19752 9447 1 14 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.017 0.723 19752 9448 1 14 . 1 1 39 39 LYS C C 39 177.510 177.510 176.526 0.984 19752 9449 1 14 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.804 -1.488 19752 9450 1 14 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.244 1.113 19752 9451 1 14 . 1 1 39 39 LYS H H 39 8.123 8.123 8.195 -0.072 19752 9452 1 14 . 1 1 40 40 ASN N N 40 123.988 123.988 126.104 -2.116 19752 9453 1 14 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.758 0.298 19752 9454 1 14 . 1 1 40 40 ASN C C 40 177.524 177.524 176.774 0.750 19752 9455 1 14 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.538 -1.698 19752 9456 1 14 . 1 1 40 40 ASN CB C 40 39.156 39.156 39.014 0.142 19752 9457 1 14 . 1 1 40 40 ASN H H 40 8.583 8.583 9.083 -0.500 19752 9458 1 14 . 1 1 41 41 GLN N N 41 116.529 116.529 116.389 0.140 19752 9459 1 14 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.037 0.023 19752 9460 1 14 . 1 1 41 41 GLN C C 41 175.829 175.829 175.420 0.409 19752 9461 1 14 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.849 -0.088 19752 9462 1 14 . 1 1 41 41 GLN CB C 41 27.947 27.947 27.808 0.139 19752 9463 1 14 . 1 1 41 41 GLN H H 41 8.856 8.856 8.659 0.197 19752 9464 1 14 . 1 1 42 42 TYR N N 42 119.255 119.255 118.524 0.731 19752 9465 1 14 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.650 0.001 19752 9466 1 14 . 1 1 42 42 TYR C C 42 175.782 175.782 175.707 0.075 19752 9467 1 14 . 1 1 42 42 TYR CA C 42 57.120 57.120 56.875 0.245 19752 9468 1 14 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.884 0.234 19752 9469 1 14 . 1 1 42 42 TYR H H 42 7.604 7.604 7.795 -0.191 19752 9470 1 14 . 1 1 43 43 GLY N N 43 106.354 106.354 108.968 -2.614 19752 9471 1 14 . 1 1 43 43 GLY C C 43 173.297 173.297 174.515 -1.218 19752 9472 1 14 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.505 -0.342 19752 9473 1 14 . 1 1 43 43 GLY H H 43 7.993 7.993 7.930 0.063 19752 9474 1 14 . 1 1 44 44 THR N N 44 120.062 120.062 117.272 2.790 19752 9475 1 14 . 1 1 44 44 THR HA H 44 4.176 4.176 4.782 -0.606 19752 9476 1 14 . 1 1 44 44 THR C C 44 173.969 173.969 173.815 0.154 19752 9477 1 14 . 1 1 44 44 THR CA C 44 62.132 62.132 63.408 -1.276 19752 9478 1 14 . 1 1 44 44 THR CB C 44 68.989 68.989 70.190 -1.201 19752 9479 1 14 . 1 1 44 44 THR H H 44 7.781 7.781 8.072 -0.291 19752 9480 1 14 . 1 1 45 45 TRP N N 45 129.666 129.666 128.560 1.106 19752 9481 1 14 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.228 0.448 19752 9482 1 14 . 1 1 45 45 TRP C C 45 175.999 175.999 176.208 -0.209 19752 9483 1 14 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.926 -0.320 19752 9484 1 14 . 1 1 45 45 TRP CB C 45 30.641 30.641 29.911 0.730 19752 9485 1 14 . 1 1 45 45 TRP H H 45 8.041 8.041 8.900 -0.859 19752 9486 1 14 . 1 1 46 46 TYR N N 46 122.938 122.938 119.636 3.302 19752 9487 1 14 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.221 0.117 19752 9488 1 14 . 1 1 46 46 TYR C C 46 173.663 173.663 173.868 -0.205 19752 9489 1 14 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.243 1.064 19752 9490 1 14 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.504 1.621 19752 9491 1 14 . 1 1 46 46 TYR H H 46 10.329 10.329 9.289 1.040 19752 9492 1 14 . 1 1 47 47 LYS N N 47 118.986 118.986 118.665 0.321 19752 9493 1 14 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.874 -0.103 19752 9494 1 14 . 1 1 47 47 LYS C C 47 172.462 172.462 173.672 -1.210 19752 9495 1 14 . 1 1 47 47 LYS CA C 47 53.712 53.712 53.088 0.624 19752 9496 1 14 . 1 1 47 47 LYS CB C 47 34.118 34.118 35.013 -0.895 19752 9497 1 14 . 1 1 47 47 LYS H H 47 8.923 8.923 9.323 -0.400 19752 9498 1 14 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.970 -0.168 19752 9499 1 14 . 1 1 48 48 PRO C C 48 176.747 176.747 175.840 0.907 19752 9500 1 14 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.726 -0.061 19752 9501 1 14 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.706 0.333 19752 9502 1 14 . 1 1 49 49 GLU N N 49 125.285 125.285 124.330 0.955 19752 9503 1 14 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.385 -0.397 19752 9504 1 14 . 1 1 49 49 GLU C C 49 170.927 170.927 174.292 -3.365 19752 9505 1 14 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.487 2.383 19752 9506 1 14 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.922 0.308 19752 9507 1 14 . 1 1 49 49 GLU H H 49 7.771 7.771 8.320 -0.549 19752 9508 1 14 . 1 1 50 50 ASN N N 50 122.328 122.328 123.620 -1.292 19752 9509 1 14 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.236 0.162 19752 9510 1 14 . 1 1 50 50 ASN C C 50 173.648 173.648 174.041 -0.393 19752 9511 1 14 . 1 1 50 50 ASN CA C 50 51.686 51.686 53.100 -1.414 19752 9512 1 14 . 1 1 50 50 ASN CB C 50 39.646 39.646 38.951 0.695 19752 9513 1 14 . 1 1 50 50 ASN H H 50 8.148 8.148 8.482 -0.334 19752 9514 1 14 . 1 1 51 51 ALA N N 51 126.527 126.527 129.511 -2.984 19752 9515 1 14 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.481 -0.028 19752 9516 1 14 . 1 1 51 51 ALA C C 51 172.872 172.872 174.416 -1.544 19752 9517 1 14 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.094 0.503 19752 9518 1 14 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.693 -3.023 19752 9519 1 14 . 1 1 51 51 ALA H H 51 7.085 7.085 8.463 -1.378 19752 9520 1 14 . 1 1 52 52 THR N N 52 112.831 112.831 114.739 -1.908 19752 9521 1 14 . 1 1 52 52 THR HA H 52 5.167 5.167 5.020 0.147 19752 9522 1 14 . 1 1 52 52 THR C C 52 172.852 172.852 172.998 -0.146 19752 9523 1 14 . 1 1 52 52 THR CA C 52 62.232 62.232 61.434 0.798 19752 9524 1 14 . 1 1 52 52 THR CB C 52 71.068 71.068 71.085 -0.018 19752 9525 1 14 . 1 1 52 52 THR H H 52 8.036 8.036 8.645 -0.609 19752 9526 1 14 . 1 1 53 53 PHE N N 53 127.883 127.883 127.245 0.638 19752 9527 1 14 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.382 -0.059 19752 9528 1 14 . 1 1 53 53 PHE C C 53 172.928 172.928 172.832 0.096 19752 9529 1 14 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.783 -0.508 19752 9530 1 14 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.935 0.270 19752 9531 1 14 . 1 1 53 53 PHE H H 53 9.714 9.714 9.531 0.183 19752 9532 1 14 . 1 1 54 54 VAL N N 54 127.284 127.284 127.640 -0.356 19752 9533 1 14 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.255 0.065 19752 9534 1 14 . 1 1 54 54 VAL C C 54 175.842 175.842 174.057 1.785 19752 9535 1 14 . 1 1 54 54 VAL CA C 54 60.152 60.152 59.976 0.176 19752 9536 1 14 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.888 -0.150 19752 9537 1 14 . 1 1 54 54 VAL H H 54 8.583 8.583 8.722 -0.139 19752 9538 1 14 . 1 1 55 55 ASN N N 55 125.723 125.723 125.915 -0.192 19752 9539 1 14 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.333 -0.173 19752 9540 1 14 . 1 1 55 55 ASN C C 55 176.333 176.333 174.377 1.956 19752 9541 1 14 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.407 1.182 19752 9542 1 14 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.725 -1.080 19752 9543 1 14 . 1 1 55 55 ASN H H 55 8.970 8.970 8.312 0.658 19752 9544 1 14 . 1 1 56 56 GLY N N 56 114.389 114.389 113.615 0.774 19752 9545 1 14 . 1 1 56 56 GLY C C 56 173.882 173.882 172.963 0.919 19752 9546 1 14 . 1 1 56 56 GLY CA C 56 44.676 44.676 44.831 -0.155 19752 9547 1 14 . 1 1 56 56 GLY H H 56 8.360 8.360 8.306 0.054 19752 9548 1 14 . 1 1 57 57 ASN N N 57 115.511 115.511 121.634 -6.123 19752 9549 1 14 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.712 -0.201 19752 9550 1 14 . 1 1 57 57 ASN C C 57 174.741 174.741 174.168 0.573 19752 9551 1 14 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.730 0.483 19752 9552 1 14 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.116 -0.487 19752 9553 1 14 . 1 1 57 57 ASN H H 57 8.149 8.149 8.204 -0.055 19752 9554 1 14 . 1 1 58 58 GLN N N 58 118.128 118.128 121.705 -3.577 19752 9555 1 14 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.794 0.166 19752 9556 1 14 . 1 1 58 58 GLN C C 58 172.603 172.603 173.279 -0.676 19752 9557 1 14 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.912 -0.279 19752 9558 1 14 . 1 1 58 58 GLN CB C 58 30.568 30.568 28.870 1.698 19752 9559 1 14 . 1 1 58 58 GLN H H 58 7.702 7.702 8.439 -0.737 19752 9560 1 14 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.735 0.205 19752 9561 1 14 . 1 1 59 59 PRO C C 59 176.506 176.506 176.250 0.256 19752 9562 1 14 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.666 -0.410 19752 9563 1 14 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.363 0.297 19752 9564 1 14 . 1 1 60 60 ILE N N 60 120.974 120.974 125.626 -4.652 19752 9565 1 14 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.199 0.075 19752 9566 1 14 . 1 1 60 60 ILE C C 60 175.190 175.190 175.141 0.049 19752 9567 1 14 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.359 0.327 19752 9568 1 14 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.725 2.020 19752 9569 1 14 . 1 1 60 60 ILE H H 60 8.126 8.126 8.879 -0.753 19752 9570 1 14 . 1 1 61 61 VAL N N 61 128.224 128.224 129.121 -0.897 19752 9571 1 14 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.353 -0.240 19752 9572 1 14 . 1 1 61 61 VAL C C 61 175.973 175.973 175.380 0.593 19752 9573 1 14 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.731 2.545 19752 9574 1 14 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.311 -0.381 19752 9575 1 14 . 1 1 61 61 VAL H H 61 8.421 8.421 8.761 -0.340 19752 9576 1 14 . 1 1 62 62 THR N N 62 118.454 118.454 122.833 -4.379 19752 9577 1 14 . 1 1 62 62 THR HA H 62 5.021 5.021 4.733 0.288 19752 9578 1 14 . 1 1 62 62 THR C C 62 174.936 174.936 174.210 0.726 19752 9579 1 14 . 1 1 62 62 THR CA C 62 61.286 61.286 61.039 0.247 19752 9580 1 14 . 1 1 62 62 THR CB C 62 71.133 71.133 70.639 0.494 19752 9581 1 14 . 1 1 62 62 THR H H 62 7.989 7.989 9.181 -1.192 19752 9582 1 14 . 1 1 63 63 ARG N N 63 118.225 118.225 119.903 -1.678 19752 9583 1 14 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.434 -0.005 19752 9584 1 14 . 1 1 63 63 ARG C C 63 175.607 175.607 175.523 0.084 19752 9585 1 14 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.333 -0.686 19752 9586 1 14 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.258 1.345 19752 9587 1 14 . 1 1 63 63 ARG H H 63 9.336 9.336 9.112 0.224 19752 9588 1 14 . 1 1 64 64 ILE N N 64 119.746 119.746 122.369 -2.623 19752 9589 1 14 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.086 0.379 19752 9590 1 14 . 1 1 64 64 ILE C C 64 179.206 179.206 177.462 1.744 19752 9591 1 14 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.329 -1.140 19752 9592 1 14 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.321 -0.073 19752 9593 1 14 . 1 1 64 64 ILE H H 64 8.741 8.741 8.574 0.167 19752 9594 1 14 . 1 1 65 65 GLY N N 65 116.059 116.059 118.016 -1.957 19752 9595 1 14 . 1 1 65 65 GLY C C 65 174.185 174.185 174.008 0.177 19752 9596 1 14 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.061 1.610 19752 9597 1 14 . 1 1 65 65 GLY H H 65 9.316 9.316 9.011 0.305 19752 9598 1 14 . 1 1 66 66 SER N N 66 114.840 114.840 115.627 -0.787 19752 9599 1 14 . 1 1 66 66 SER HA H 66 4.160 4.160 4.125 0.035 19752 9600 1 14 . 1 1 66 66 SER C C 66 170.281 170.281 171.485 -1.204 19752 9601 1 14 . 1 1 66 66 SER CA C 66 56.207 56.207 55.021 1.186 19752 9602 1 14 . 1 1 66 66 SER CB C 66 63.737 63.737 65.071 -1.334 19752 9603 1 14 . 1 1 66 66 SER H H 66 7.412 7.412 7.281 0.131 19752 9604 1 14 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.744 -1.105 19752 9605 1 14 . 1 1 67 67 PRO C C 67 170.030 170.030 174.358 -4.328 19752 9606 1 14 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.281 -1.611 19752 9607 1 14 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.118 -5.208 19752 9608 1 14 . 1 1 68 68 PHE N N 68 111.778 111.778 119.049 -7.271 19752 9609 1 14 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.369 0.124 19752 9610 1 14 . 1 1 68 68 PHE C C 68 177.055 177.055 175.376 1.679 19752 9611 1 14 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.680 -1.052 19752 9612 1 14 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.379 1.979 19752 9613 1 14 . 1 1 68 68 PHE H H 68 6.610 6.610 7.078 -0.468 19752 9614 1 14 . 1 1 69 69 LEU N N 69 119.491 119.491 121.522 -2.031 19752 9615 1 14 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.534 -0.221 19752 9616 1 14 . 1 1 69 69 LEU C C 69 176.326 176.326 177.368 -1.042 19752 9617 1 14 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.867 -0.636 19752 9618 1 14 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.235 -1.365 19752 9619 1 14 . 1 1 69 69 LEU H H 69 8.388 8.388 8.535 -0.147 19752 9620 1 14 . 1 1 70 70 ASN N N 70 112.229 112.229 116.476 -4.247 19752 9621 1 14 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.711 0.131 19752 9622 1 14 . 1 1 70 70 ASN C C 70 175.620 175.620 174.500 1.120 19752 9623 1 14 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.046 -0.378 19752 9624 1 14 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.598 0.055 19752 9625 1 14 . 1 1 70 70 ASN H H 70 7.675 7.675 8.102 -0.427 19752 9626 1 14 . 1 1 71 71 ALA N N 71 123.955 123.955 124.055 -0.100 19752 9627 1 14 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.477 0.082 19752 9628 1 14 . 1 1 71 71 ALA C C 71 174.274 174.274 175.798 -1.524 19752 9629 1 14 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.532 0.938 19752 9630 1 14 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.237 -0.394 19752 9631 1 14 . 1 1 71 71 ALA H H 71 7.152 7.152 7.180 -0.028 19752 9632 1 14 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.356 0.057 19752 9633 1 14 . 1 1 72 72 PRO C C 72 176.342 176.342 175.752 0.590 19752 9634 1 14 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.636 -0.517 19752 9635 1 14 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.653 0.503 19752 9636 1 14 . 1 1 73 73 VAL N N 73 121.078 121.078 118.591 2.487 19752 9637 1 14 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.544 -0.260 19752 9638 1 14 . 1 1 73 73 VAL C C 73 177.864 177.864 177.150 0.714 19752 9639 1 14 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.036 3.241 19752 9640 1 14 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.451 -1.727 19752 9641 1 14 . 1 1 73 73 VAL H H 73 8.328 8.328 8.087 0.241 19752 9642 1 14 . 1 1 74 74 GLY N N 74 114.118 114.118 108.696 5.422 19752 9643 1 14 . 1 1 74 74 GLY C C 74 173.963 173.963 174.190 -0.227 19752 9644 1 14 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.769 0.016 19752 9645 1 14 . 1 1 74 74 GLY H H 74 8.781 8.781 8.846 -0.065 19752 9646 1 14 . 1 1 75 75 GLY N N 75 107.324 107.324 110.271 -2.947 19752 9647 1 14 . 1 1 75 75 GLY C C 75 173.460 173.460 172.618 0.842 19752 9648 1 14 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.173 -0.425 19752 9649 1 14 . 1 1 75 75 GLY H H 75 7.278 7.278 7.789 -0.511 19752 9650 1 14 . 1 1 76 76 ASN N N 76 119.682 119.682 124.294 -4.612 19752 9651 1 14 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.962 0.460 19752 9652 1 14 . 1 1 76 76 ASN C C 76 175.760 175.760 174.683 1.077 19752 9653 1 14 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.814 -0.537 19752 9654 1 14 . 1 1 76 76 ASN CB C 76 39.213 39.213 39.762 -0.549 19752 9655 1 14 . 1 1 76 76 ASN H H 76 8.797 8.797 8.623 0.174 19752 9656 1 14 . 1 1 77 77 LEU N N 77 129.545 129.545 129.366 0.179 19752 9657 1 14 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.960 -0.089 19752 9658 1 14 . 1 1 77 77 LEU C C 77 174.374 174.374 174.532 -0.158 19752 9659 1 14 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.389 0.825 19752 9660 1 14 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.660 -0.589 19752 9661 1 14 . 1 1 77 77 LEU H H 77 10.083 10.083 9.020 1.063 19752 9662 1 14 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.474 -0.145 19752 9663 1 14 . 1 1 78 78 PRO C C 78 177.553 177.553 175.732 1.821 19752 9664 1 14 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.530 0.051 19752 9665 1 14 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.477 0.244 19752 9666 1 14 . 1 1 79 79 ALA N N 79 125.294 125.294 124.302 0.992 19752 9667 1 14 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.029 0.231 19752 9668 1 14 . 1 1 79 79 ALA C C 79 179.984 179.984 178.118 1.866 19752 9669 1 14 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.062 1.115 19752 9670 1 14 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.359 -1.113 19752 9671 1 14 . 1 1 79 79 ALA H H 79 8.585 8.585 8.188 0.397 19752 9672 1 14 . 1 1 80 80 GLY N N 80 110.970 110.970 110.960 0.010 19752 9673 1 14 . 1 1 80 80 GLY C C 80 173.499 173.499 173.662 -0.163 19752 9674 1 14 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.745 1.209 19752 9675 1 14 . 1 1 80 80 GLY H H 80 8.004 8.004 8.649 -0.645 19752 9676 1 14 . 1 1 81 81 ALA N N 81 122.249 122.249 123.402 -1.153 19752 9677 1 14 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.660 -0.409 19752 9678 1 14 . 1 1 81 81 ALA C C 81 175.709 175.709 176.117 -0.408 19752 9679 1 14 . 1 1 81 81 ALA CA C 81 52.765 52.765 50.969 1.796 19752 9680 1 14 . 1 1 81 81 ALA CB C 81 20.853 20.853 20.143 0.710 19752 9681 1 14 . 1 1 81 81 ALA H H 81 7.363 7.363 7.333 0.030 19752 9682 1 14 . 1 1 82 82 THR N N 82 114.980 114.980 120.318 -5.338 19752 9683 1 14 . 1 1 82 82 THR HA H 82 5.171 5.171 4.590 0.581 19752 9684 1 14 . 1 1 82 82 THR C C 82 174.618 174.618 173.531 1.087 19752 9685 1 14 . 1 1 82 82 THR CA C 82 62.118 62.118 62.329 -0.211 19752 9686 1 14 . 1 1 82 82 THR CB C 82 70.555 70.555 69.282 1.273 19752 9687 1 14 . 1 1 82 82 THR H H 82 8.181 8.181 8.521 -0.340 19752 9688 1 14 . 1 1 83 83 ILE N N 83 127.480 127.480 129.879 -2.399 19752 9689 1 14 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.323 0.081 19752 9690 1 14 . 1 1 83 83 ILE C C 83 173.926 173.926 174.037 -0.111 19752 9691 1 14 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.772 -0.433 19752 9692 1 14 . 1 1 83 83 ILE CB C 83 42.228 42.228 39.764 2.464 19752 9693 1 14 . 1 1 83 83 ILE H H 83 9.627 9.627 9.182 0.445 19752 9694 1 14 . 1 1 84 84 VAL N N 84 128.246 128.246 130.098 -1.852 19752 9695 1 14 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.425 0.248 19752 9696 1 14 . 1 1 84 84 VAL C C 84 175.501 175.501 174.757 0.744 19752 9697 1 14 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.284 1.851 19752 9698 1 14 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.237 -0.581 19752 9699 1 14 . 1 1 84 84 VAL H H 84 8.059 8.059 8.649 -0.590 19752 9700 1 14 . 1 1 85 85 TYR N N 85 126.862 126.862 125.214 1.648 19752 9701 1 14 . 1 1 85 85 TYR HA H 85 5.425 5.425 5.028 0.397 19752 9702 1 14 . 1 1 85 85 TYR C C 85 174.273 174.273 174.482 -0.209 19752 9703 1 14 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.335 0.476 19752 9704 1 14 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.806 1.470 19752 9705 1 14 . 1 1 85 85 TYR H H 85 8.840 8.840 8.785 0.055 19752 9706 1 14 . 1 1 86 86 ASP N N 86 115.086 115.086 119.833 -4.747 19752 9707 1 14 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.805 0.663 19752 9708 1 14 . 1 1 86 86 ASP C C 86 177.943 177.943 175.671 2.272 19752 9709 1 14 . 1 1 86 86 ASP CA C 86 54.203 54.203 55.614 -1.411 19752 9710 1 14 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.208 0.367 19752 9711 1 14 . 1 1 86 86 ASP H H 86 8.843 8.843 8.603 0.240 19752 9712 1 14 . 1 1 87 87 GLU N N 87 124.208 124.208 120.581 3.627 19752 9713 1 14 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.018 0.097 19752 9714 1 14 . 1 1 87 87 GLU C C 87 173.613 173.613 174.369 -0.756 19752 9715 1 14 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.525 0.247 19752 9716 1 14 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.403 2.104 19752 9717 1 14 . 1 1 87 87 GLU H H 87 8.121 8.121 8.086 0.035 19752 9718 1 14 . 1 1 88 88 VAL N N 88 121.754 121.754 126.793 -5.039 19752 9719 1 14 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.446 1.268 19752 9720 1 14 . 1 1 88 88 VAL C C 88 175.480 175.480 174.978 0.502 19752 9721 1 14 . 1 1 88 88 VAL CA C 88 59.770 59.770 62.176 -2.406 19752 9722 1 14 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.303 2.341 19752 9723 1 14 . 1 1 88 88 VAL H H 88 8.822 8.822 9.274 -0.452 19752 9724 1 14 . 1 1 89 89 CYS N N 89 118.234 118.234 125.846 -7.612 19752 9725 1 14 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.085 0.214 19752 9726 1 14 . 1 1 89 89 CYS C C 89 174.126 174.126 174.193 -0.067 19752 9727 1 14 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.716 -0.631 19752 9728 1 14 . 1 1 89 89 CYS CB C 89 33.104 33.104 32.236 0.868 19752 9729 1 14 . 1 1 89 89 CYS H H 89 9.404 9.404 9.423 -0.019 19752 9730 1 14 . 1 1 90 90 ILE N N 90 122.085 122.085 123.495 -1.410 19752 9731 1 14 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.622 0.611 19752 9732 1 14 . 1 1 90 90 ILE C C 90 176.210 176.210 174.159 2.051 19752 9733 1 14 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.686 0.873 19752 9734 1 14 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.986 1.503 19752 9735 1 14 . 1 1 90 90 ILE H H 90 9.773 9.773 9.481 0.292 19752 9736 1 14 . 1 1 91 91 GLN N N 91 125.884 125.884 127.523 -1.639 19752 9737 1 14 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.895 -0.276 19752 9738 1 14 . 1 1 91 91 GLN C C 91 176.019 176.019 174.478 1.541 19752 9739 1 14 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.367 1.855 19752 9740 1 14 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.882 -1.689 19752 9741 1 14 . 1 1 91 91 GLN H H 91 8.910 8.910 8.418 0.492 19752 9742 1 14 . 1 1 92 92 ALA N N 92 131.300 131.300 129.018 2.282 19752 9743 1 14 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.125 0.399 19752 9744 1 14 . 1 1 92 92 ALA C C 92 178.514 178.514 177.515 0.999 19752 9745 1 14 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.103 -0.637 19752 9746 1 14 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.194 0.075 19752 9747 1 14 . 1 1 92 92 ALA H H 92 9.888 9.888 9.031 0.857 19752 9748 1 14 . 1 1 93 93 GLY N N 93 107.622 107.622 113.202 -5.580 19752 9749 1 14 . 1 1 93 93 GLY C C 93 174.796 174.796 173.601 1.195 19752 9750 1 14 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.914 1.556 19752 9751 1 14 . 1 1 93 93 GLY H H 93 9.675 9.675 8.245 1.430 19752 9752 1 14 . 1 1 94 94 HIS N N 94 118.233 118.233 119.000 -0.767 19752 9753 1 14 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.119 -0.293 19752 9754 1 14 . 1 1 94 94 HIS C C 94 173.575 173.575 172.737 0.838 19752 9755 1 14 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.545 0.675 19752 9756 1 14 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.934 -2.201 19752 9757 1 14 . 1 1 94 94 HIS H H 94 8.337 8.337 8.454 -0.117 19752 9758 1 14 . 1 1 95 95 ILE N N 95 118.964 118.964 120.464 -1.500 19752 9759 1 14 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.453 0.758 19752 9760 1 14 . 1 1 95 95 ILE C C 95 174.555 174.555 173.690 0.865 19752 9761 1 14 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.046 0.936 19752 9762 1 14 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.558 -1.775 19752 9763 1 14 . 1 1 95 95 ILE H H 95 8.116 8.116 7.805 0.311 19752 9764 1 14 . 1 1 96 96 TRP N N 96 127.092 127.092 128.654 -1.562 19752 9765 1 14 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.556 -0.079 19752 9766 1 14 . 1 1 96 96 TRP C C 96 176.216 176.216 175.861 0.355 19752 9767 1 14 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.059 -0.816 19752 9768 1 14 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.362 -0.594 19752 9769 1 14 . 1 1 96 96 TRP H H 96 9.869 9.869 9.215 0.654 19752 9770 1 14 . 1 1 97 97 ILE N N 97 113.283 113.283 118.938 -5.655 19752 9771 1 14 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.085 0.387 19752 9772 1 14 . 1 1 97 97 ILE C C 97 175.278 175.278 175.220 0.058 19752 9773 1 14 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.115 0.069 19752 9774 1 14 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.118 0.531 19752 9775 1 14 . 1 1 97 97 ILE H H 97 8.893 8.893 8.701 0.192 19752 9776 1 14 . 1 1 98 98 GLY N N 98 109.684 109.684 113.999 -4.315 19752 9777 1 14 . 1 1 98 98 GLY C C 98 172.048 172.048 172.528 -0.480 19752 9778 1 14 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.754 1.367 19752 9779 1 14 . 1 1 98 98 GLY H H 98 9.043 9.043 9.054 -0.011 19752 9780 1 14 . 1 1 99 99 TYR N N 99 117.809 117.809 121.742 -3.933 19752 9781 1 14 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.976 -0.068 19752 9782 1 14 . 1 1 99 99 TYR C C 99 172.626 172.626 173.050 -0.424 19752 9783 1 14 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.197 1.062 19752 9784 1 14 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.624 -0.477 19752 9785 1 14 . 1 1 99 99 TYR H H 99 8.434 8.434 8.359 0.075 19752 9786 1 14 . 1 1 100 100 ASN N N 100 117.139 117.139 118.910 -1.771 19752 9787 1 14 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.338 -0.052 19752 9788 1 14 . 1 1 100 100 ASN C C 100 175.315 175.315 174.316 0.999 19752 9789 1 14 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.901 0.085 19752 9790 1 14 . 1 1 100 100 ASN CB C 100 39.375 39.375 41.069 -1.694 19752 9791 1 14 . 1 1 100 100 ASN H H 100 8.844 8.844 8.588 0.256 19752 9792 1 14 . 1 1 101 101 ALA N N 101 126.218 126.218 125.063 1.155 19752 9793 1 14 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.677 -0.040 19752 9794 1 14 . 1 1 101 101 ALA C C 101 179.095 179.095 178.893 0.202 19752 9795 1 14 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.797 0.415 19752 9796 1 14 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.137 0.505 19752 9797 1 14 . 1 1 101 101 ALA H H 101 8.870 8.870 8.781 0.089 19752 9798 1 14 . 1 1 102 102 TYR N N 102 121.067 121.067 118.115 2.952 19752 9799 1 14 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.327 0.012 19752 9800 1 14 . 1 1 102 102 TYR C C 102 175.986 175.986 176.354 -0.368 19752 9801 1 14 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.214 -0.070 19752 9802 1 14 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.663 -0.010 19752 9803 1 14 . 1 1 102 102 TYR H H 102 8.720 8.720 8.511 0.209 19752 9804 1 14 . 1 1 103 103 ASN N N 103 115.289 115.289 118.935 -3.646 19752 9805 1 14 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.661 -0.249 19752 9806 1 14 . 1 1 103 103 ASN C C 103 175.963 175.963 176.170 -0.207 19752 9807 1 14 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.718 -0.472 19752 9808 1 14 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.217 -0.972 19752 9809 1 14 . 1 1 103 103 ASN H H 103 7.490 7.490 7.471 0.019 19752 9810 1 14 . 1 1 104 104 GLY N N 104 107.204 107.204 106.663 0.541 19752 9811 1 14 . 1 1 104 104 GLY C C 104 174.620 174.620 173.318 1.302 19752 9812 1 14 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.090 0.038 19752 9813 1 14 . 1 1 104 104 GLY H H 104 8.020 8.020 8.046 -0.026 19752 9814 1 14 . 1 1 105 105 ASN N N 105 118.581 118.581 118.225 0.356 19752 9815 1 14 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.604 -0.028 19752 9816 1 14 . 1 1 105 105 ASN C C 105 173.805 173.805 174.183 -0.378 19752 9817 1 14 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.108 0.922 19752 9818 1 14 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.071 -0.087 19752 9819 1 14 . 1 1 105 105 ASN H H 105 7.703 7.703 7.840 -0.137 19752 9820 1 14 . 1 1 106 106 ARG N N 106 123.191 123.191 125.797 -2.606 19752 9821 1 14 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.563 0.001 19752 9822 1 14 . 1 1 106 106 ARG C C 106 174.360 174.360 175.118 -0.758 19752 9823 1 14 . 1 1 106 106 ARG CA C 106 54.662 54.662 56.008 -1.346 19752 9824 1 14 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.930 0.677 19752 9825 1 14 . 1 1 106 106 ARG H H 106 8.635 8.635 8.593 0.042 19752 9826 1 14 . 1 1 107 107 VAL N N 107 128.482 128.482 126.028 2.454 19752 9827 1 14 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.534 0.019 19752 9828 1 14 . 1 1 107 107 VAL C C 107 172.290 172.290 173.615 -1.325 19752 9829 1 14 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.610 0.074 19752 9830 1 14 . 1 1 107 107 VAL CB C 107 34.477 34.477 35.224 -0.747 19752 9831 1 14 . 1 1 107 107 VAL H H 107 8.668 8.668 8.614 0.054 19752 9832 1 14 . 1 1 108 108 TYR N N 108 119.055 119.055 123.036 -3.981 19752 9833 1 14 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.746 -0.253 19752 9834 1 14 . 1 1 108 108 TYR C C 108 175.215 175.215 175.158 0.057 19752 9835 1 14 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.164 0.408 19752 9836 1 14 . 1 1 108 108 TYR CB C 108 42.435 42.435 42.115 0.320 19752 9837 1 14 . 1 1 108 108 TYR H H 108 8.944 8.944 9.220 -0.276 19752 9838 1 14 . 1 1 109 109 CYS N N 109 124.377 124.377 122.163 2.214 19752 9839 1 14 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.115 0.330 19752 9840 1 14 . 1 1 109 109 CYS C C 109 171.899 171.899 173.485 -1.586 19752 9841 1 14 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.334 -1.169 19752 9842 1 14 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.182 -1.379 19752 9843 1 14 . 1 1 109 109 CYS H H 109 9.675 9.675 8.678 0.997 19752 9844 1 14 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.111 1.068 19752 9845 1 14 . 1 1 110 110 PRO C C 110 175.490 175.490 177.161 -1.671 19752 9846 1 14 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.170 -1.572 19752 9847 1 14 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.126 -1.670 19752 9848 1 14 . 1 1 111 111 VAL N N 111 109.293 109.293 111.736 -2.443 19752 9849 1 14 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.357 1.052 19752 9850 1 14 . 1 1 111 111 VAL C C 111 173.598 173.598 174.444 -0.846 19752 9851 1 14 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.032 -3.939 19752 9852 1 14 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.648 3.873 19752 9853 1 14 . 1 1 111 111 VAL H H 111 8.382 8.382 7.489 0.893 19752 9854 1 14 . 1 1 112 112 ARG N N 112 110.825 110.825 115.578 -4.753 19752 9855 1 14 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.561 -1.403 19752 9856 1 14 . 1 1 112 112 ARG C C 112 175.480 175.480 174.988 0.492 19752 9857 1 14 . 1 1 112 112 ARG CA C 112 54.449 54.449 54.057 0.392 19752 9858 1 14 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.690 -1.544 19752 9859 1 14 . 1 1 112 112 ARG H H 112 6.735 6.735 7.996 -1.261 19752 9860 1 14 . 1 1 113 113 THR N N 113 111.002 111.002 113.115 -2.113 19752 9861 1 14 . 1 1 113 113 THR HA H 113 4.238 4.238 4.576 -0.338 19752 9862 1 14 . 1 1 113 113 THR C C 113 174.123 174.123 173.977 0.146 19752 9863 1 14 . 1 1 113 113 THR CA C 113 62.468 62.468 61.764 0.704 19752 9864 1 14 . 1 1 113 113 THR CB C 113 70.502 70.502 69.094 1.407 19752 9865 1 14 . 1 1 113 113 THR H H 113 8.898 8.898 7.773 1.125 19752 9866 1 14 . 1 1 114 114 CYS N N 114 119.522 119.522 122.731 -3.209 19752 9867 1 14 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.570 -1.055 19752 9868 1 14 . 1 1 114 114 CYS C C 114 172.669 172.669 173.112 -0.443 19752 9869 1 14 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.857 1.760 19752 9870 1 14 . 1 1 114 114 CYS CB C 114 29.545 29.545 32.570 -3.025 19752 9871 1 14 . 1 1 114 114 CYS H H 114 7.936 7.936 7.993 -0.057 19752 9872 1 14 . 1 1 115 115 GLN N N 115 129.342 129.342 119.601 9.741 19752 9873 1 14 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.594 0.034 19752 9874 1 14 . 1 1 115 115 GLN C C 115 175.456 175.456 174.603 0.853 19752 9875 1 14 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.385 -0.143 19752 9876 1 14 . 1 1 115 115 GLN CB C 115 31.176 31.176 33.060 -1.884 19752 9877 1 14 . 1 1 115 115 GLN H H 115 7.963 7.963 8.783 -0.820 19752 9878 1 14 . 1 1 116 116 GLY N N 116 112.311 112.311 107.877 4.434 19752 9879 1 14 . 1 1 116 116 GLY C C 116 171.907 171.907 172.253 -0.346 19752 9880 1 14 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.960 -0.743 19752 9881 1 14 . 1 1 116 116 GLY H H 116 8.591 8.591 8.251 0.340 19752 9882 1 14 . 1 1 117 117 VAL N N 117 110.113 110.113 114.711 -4.598 19752 9883 1 14 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.474 -0.336 19752 9884 1 14 . 1 1 117 117 VAL C C 117 171.857 171.857 173.292 -1.435 19752 9885 1 14 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.915 0.042 19752 9886 1 14 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.438 -1.889 19752 9887 1 14 . 1 1 117 117 VAL H H 117 7.745 7.745 7.958 -0.213 19752 9888 1 14 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.956 0.540 19752 9889 1 14 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.492 -1.002 19752 9890 1 14 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.785 -1.025 19752 9891 1 14 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.281 0.095 19752 9892 1 14 . 1 1 119 119 PRO C C 119 176.006 176.006 176.125 -0.119 19752 9893 1 14 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.907 1.248 19752 9894 1 14 . 1 1 119 119 PRO CB C 119 34.035 34.035 31.940 2.095 19752 9895 1 14 . 1 1 120 120 ASN N N 120 124.472 124.472 119.804 4.668 19752 9896 1 14 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.541 0.363 19752 9897 1 14 . 1 1 120 120 ASN C C 120 172.963 172.963 173.805 -0.842 19752 9898 1 14 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.983 0.132 19752 9899 1 14 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.898 0.329 19752 9900 1 14 . 1 1 120 120 ASN H H 120 8.414 8.414 8.106 0.308 19752 9901 1 14 . 1 1 121 121 HIS N N 121 120.276 120.276 121.582 -1.306 19752 9902 1 14 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.901 -0.474 19752 9903 1 14 . 1 1 121 121 HIS C C 121 174.788 174.788 174.368 0.420 19752 9904 1 14 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.759 1.941 19752 9905 1 14 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.304 0.404 19752 9906 1 14 . 1 1 121 121 HIS H H 121 8.591 8.591 7.801 0.790 19752 9907 1 14 . 1 1 122 122 ILE N N 122 120.474 120.474 126.180 -5.706 19752 9908 1 14 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.404 -0.059 19752 9909 1 14 . 1 1 122 122 ILE C C 122 174.718 174.718 174.231 0.487 19752 9910 1 14 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.430 -0.300 19752 9911 1 14 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.307 1.463 19752 9912 1 14 . 1 1 122 122 ILE H H 122 8.883 8.883 9.134 -0.251 19752 9913 1 14 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.899 -0.403 19752 9914 1 14 . 1 1 123 123 PRO C C 123 177.104 177.104 176.333 0.771 19752 9915 1 14 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.798 0.809 19752 9916 1 14 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.311 0.218 19752 9917 1 14 . 1 1 124 124 GLY N N 124 111.030 111.030 109.744 1.286 19752 9918 1 14 . 1 1 124 124 GLY C C 124 173.906 173.906 173.611 0.295 19752 9919 1 14 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.435 -0.318 19752 9920 1 14 . 1 1 124 124 GLY H H 124 8.553 8.553 8.984 -0.431 19752 9921 1 14 . 1 1 125 125 VAL N N 125 121.916 121.916 121.070 0.846 19752 9922 1 14 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.697 0.223 19752 9923 1 14 . 1 1 125 125 VAL C C 125 176.148 176.148 175.543 0.605 19752 9924 1 14 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.427 1.211 19752 9925 1 14 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.586 0.532 19752 9926 1 14 . 1 1 125 125 VAL H H 125 8.493 8.493 8.232 0.261 19752 9927 1 14 . 1 1 126 126 ALA N N 126 127.872 127.872 129.644 -1.772 19752 9928 1 14 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.488 0.002 19752 9929 1 14 . 1 1 126 126 ALA C C 126 179.447 179.447 177.310 2.137 19752 9930 1 14 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.319 1.350 19752 9931 1 14 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.964 -0.336 19752 9932 1 14 . 1 1 126 126 ALA H H 126 8.835 8.835 8.420 0.415 19752 9933 1 14 . 1 1 127 127 TRP N N 127 121.928 121.928 123.899 -1.971 19752 9934 1 14 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.917 0.196 19752 9935 1 14 . 1 1 127 127 TRP C C 127 174.684 174.684 175.436 -0.752 19752 9936 1 14 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.275 -0.646 19752 9937 1 14 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.233 -2.079 19752 9938 1 14 . 1 1 127 127 TRP H H 127 8.555 8.555 9.033 -0.478 19752 9939 1 14 . 1 1 128 128 GLY N N 128 103.981 103.981 105.570 -1.589 19752 9940 1 14 . 1 1 128 128 GLY C C 128 171.694 171.694 172.569 -0.875 19752 9941 1 14 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.732 0.957 19752 9942 1 14 . 1 1 128 128 GLY H H 128 7.280 7.280 7.650 -0.370 19752 9943 1 14 . 1 1 129 129 VAL N N 129 119.078 119.078 121.281 -2.203 19752 9944 1 14 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.460 -0.117 19752 9945 1 14 . 1 1 129 129 VAL C C 129 173.255 173.255 174.678 -1.423 19752 9946 1 14 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.538 0.123 19752 9947 1 14 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.785 1.766 19752 9948 1 14 . 1 1 129 129 VAL H H 129 8.274 8.274 8.223 0.051 19752 9949 1 14 . 1 1 130 130 PHE N N 130 122.633 122.633 126.677 -4.044 19752 9950 1 14 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.295 0.249 19752 9951 1 14 . 1 1 130 130 PHE C C 130 175.771 175.771 175.799 -0.028 19752 9952 1 14 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.460 -0.284 19752 9953 1 14 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.454 -0.784 19752 9954 1 14 . 1 1 130 130 PHE H H 130 8.464 8.464 8.810 -0.346 19752 9955 1 15 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.731 0.035 19752 9956 1 15 . 1 1 2 2 ASN C C 2 174.930 174.930 175.299 -0.369 19752 9957 1 15 . 1 1 2 2 ASN CA C 2 53.209 53.209 54.689 -1.480 19752 9958 1 15 . 1 1 2 2 ASN CB C 2 39.213 39.213 39.440 -0.227 19752 9959 1 15 . 1 1 3 3 ALA N N 3 124.643 124.643 120.945 3.698 19752 9960 1 15 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.432 -0.168 19752 9961 1 15 . 1 1 3 3 ALA C C 3 177.790 177.790 176.732 1.058 19752 9962 1 15 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.816 1.021 19752 9963 1 15 . 1 1 3 3 ALA CB C 3 19.240 19.240 18.600 0.640 19752 9964 1 15 . 1 1 3 3 ALA H H 3 8.386 8.386 8.179 0.207 19752 9965 1 15 . 1 1 4 4 LYS N N 4 120.203 120.203 117.565 2.638 19752 9966 1 15 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.212 0.011 19752 9967 1 15 . 1 1 4 4 LYS C C 4 176.230 176.230 174.980 1.250 19752 9968 1 15 . 1 1 4 4 LYS CA C 4 56.534 56.534 57.011 -0.477 19752 9969 1 15 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.001 0.810 19752 9970 1 15 . 1 1 4 4 LYS H H 4 8.300 8.300 8.444 -0.144 19752 9971 1 15 . 1 1 5 5 ASN N N 5 119.229 119.229 117.749 1.480 19752 9972 1 15 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.635 0.033 19752 9973 1 15 . 1 1 5 5 ASN C C 5 175.033 175.033 173.658 1.375 19752 9974 1 15 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.243 -0.118 19752 9975 1 15 . 1 1 5 5 ASN CB C 5 38.777 38.777 37.595 1.182 19752 9976 1 15 . 1 1 5 5 ASN H H 5 8.320 8.320 7.994 0.326 19752 9977 1 15 . 1 1 6 6 TYR N N 6 120.593 120.593 121.816 -1.223 19752 9978 1 15 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.677 -0.167 19752 9979 1 15 . 1 1 6 6 TYR C C 6 175.554 175.554 174.828 0.726 19752 9980 1 15 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.449 0.764 19752 9981 1 15 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.565 -0.964 19752 9982 1 15 . 1 1 6 6 TYR H H 6 8.087 8.087 7.798 0.289 19752 9983 1 15 . 1 1 7 7 MET N N 7 121.477 121.477 120.492 0.985 19752 9984 1 15 . 1 1 7 7 MET HA H 7 4.391 4.391 4.693 -0.302 19752 9985 1 15 . 1 1 7 7 MET C C 7 175.609 175.609 174.176 1.433 19752 9986 1 15 . 1 1 7 7 MET CA C 7 55.494 55.494 54.288 1.206 19752 9987 1 15 . 1 1 7 7 MET CB C 7 32.970 32.970 35.868 -2.898 19752 9988 1 15 . 1 1 7 7 MET H H 7 8.121 8.121 7.458 0.663 19752 9989 1 15 . 1 1 8 8 ASP N N 8 121.704 121.704 122.440 -0.736 19752 9990 1 15 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.742 -0.187 19752 9991 1 15 . 1 1 8 8 ASP C C 8 176.344 176.344 175.289 1.055 19752 9992 1 15 . 1 1 8 8 ASP CA C 8 54.471 54.471 53.425 1.046 19752 9993 1 15 . 1 1 8 8 ASP CB C 8 41.322 41.322 42.017 -0.695 19752 9994 1 15 . 1 1 8 8 ASP H H 8 8.189 8.189 8.329 -0.140 19752 9995 1 15 . 1 1 9 9 LYS N N 9 122.168 122.168 119.909 2.259 19752 9996 1 15 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.555 -0.248 19752 9997 1 15 . 1 1 9 9 LYS C C 9 177.267 177.267 176.936 0.331 19752 9998 1 15 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.427 1.195 19752 9999 1 15 . 1 1 9 9 LYS CB C 9 32.765 32.765 31.957 0.808 19752 10000 1 15 . 1 1 9 9 LYS H H 9 8.335 8.335 8.193 0.142 19752 10001 1 15 . 1 1 10 10 GLY N N 10 109.505 109.505 112.556 -3.051 19752 10002 1 15 . 1 1 10 10 GLY C C 10 174.568 174.568 173.988 0.580 19752 10003 1 15 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.731 -0.148 19752 10004 1 15 . 1 1 10 10 GLY H H 10 8.497 8.497 8.606 -0.109 19752 10005 1 15 . 1 1 11 11 THR N N 11 113.312 113.312 119.380 -6.068 19752 10006 1 15 . 1 1 11 11 THR HA H 11 4.396 4.396 4.489 -0.093 19752 10007 1 15 . 1 1 11 11 THR C C 11 174.719 174.719 173.448 1.271 19752 10008 1 15 . 1 1 11 11 THR CA C 11 61.779 61.779 60.976 0.803 19752 10009 1 15 . 1 1 11 11 THR CB C 11 69.963 69.963 69.206 0.757 19752 10010 1 15 . 1 1 11 11 THR H H 11 8.081 8.081 8.084 -0.003 19752 10011 1 15 . 1 1 12 12 SER N N 12 118.272 118.272 125.436 -7.164 19752 10012 1 15 . 1 1 12 12 SER HA H 12 4.499 4.499 4.810 -0.311 19752 10013 1 15 . 1 1 12 12 SER C C 12 174.766 174.766 174.488 0.278 19752 10014 1 15 . 1 1 12 12 SER CA C 12 58.432 58.432 57.169 1.263 19752 10015 1 15 . 1 1 12 12 SER CB C 12 63.986 63.986 64.580 -0.594 19752 10016 1 15 . 1 1 12 12 SER H H 12 8.413 8.413 8.797 -0.384 19752 10017 1 15 . 1 1 13 13 SER N N 13 118.106 118.106 121.284 -3.178 19752 10018 1 15 . 1 1 13 13 SER HA H 13 4.518 4.518 4.042 0.476 19752 10019 1 15 . 1 1 13 13 SER C C 13 174.674 174.674 175.971 -1.297 19752 10020 1 15 . 1 1 13 13 SER CA C 13 58.607 58.607 61.988 -3.381 19752 10021 1 15 . 1 1 13 13 SER CB C 13 63.869 63.869 62.827 1.042 19752 10022 1 15 . 1 1 13 13 SER H H 13 8.414 8.414 8.984 -0.570 19752 10023 1 15 . 1 1 14 14 SER N N 14 117.724 117.724 115.823 1.901 19752 10024 1 15 . 1 1 14 14 SER HA H 14 4.535 4.535 4.418 0.117 19752 10025 1 15 . 1 1 14 14 SER C C 14 174.743 174.743 177.366 -2.623 19752 10026 1 15 . 1 1 14 14 SER CA C 14 58.630 58.630 61.254 -2.624 19752 10027 1 15 . 1 1 14 14 SER CB C 14 63.798 63.798 62.791 1.007 19752 10028 1 15 . 1 1 14 14 SER H H 14 8.379 8.379 8.357 0.022 19752 10029 1 15 . 1 1 15 15 THR N N 15 116.549 116.549 118.626 -2.077 19752 10030 1 15 . 1 1 15 15 THR HA H 15 4.336 4.336 4.129 0.207 19752 10031 1 15 . 1 1 15 15 THR C C 15 174.310 174.310 175.884 -1.574 19752 10032 1 15 . 1 1 15 15 THR CA C 15 62.161 62.161 65.361 -3.200 19752 10033 1 15 . 1 1 15 15 THR CB C 15 69.603 69.603 68.940 0.663 19752 10034 1 15 . 1 1 15 15 THR H H 15 8.195 8.195 7.604 0.591 19752 10035 1 15 . 1 1 16 16 VAL N N 16 123.406 123.406 116.188 7.218 19752 10036 1 15 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.155 -0.053 19752 10037 1 15 . 1 1 16 16 VAL C C 16 175.934 175.934 175.733 0.201 19752 10038 1 15 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.660 -0.148 19752 10039 1 15 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.242 0.496 19752 10040 1 15 . 1 1 16 16 VAL H H 16 8.121 8.121 8.031 0.090 19752 10041 1 15 . 1 1 17 17 VAL N N 17 125.445 125.445 118.965 6.480 19752 10042 1 15 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.782 0.303 19752 10043 1 15 . 1 1 17 17 VAL C C 17 176.102 176.102 175.185 0.917 19752 10044 1 15 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.306 -1.027 19752 10045 1 15 . 1 1 17 17 VAL CB C 17 32.677 32.677 29.325 3.352 19752 10046 1 15 . 1 1 17 17 VAL H H 17 8.293 8.293 7.514 0.779 19752 10047 1 15 . 1 1 18 18 LYS N N 18 126.281 126.281 120.718 5.563 19752 10048 1 15 . 1 1 18 18 LYS HA H 18 4.342 4.342 3.976 0.366 19752 10049 1 15 . 1 1 18 18 LYS C C 18 176.138 176.138 174.693 1.445 19752 10050 1 15 . 1 1 18 18 LYS CA C 18 56.205 56.205 57.135 -0.930 19752 10051 1 15 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.160 0.986 19752 10052 1 15 . 1 1 18 18 LYS H H 18 8.478 8.478 8.465 0.013 19752 10053 1 15 . 1 1 19 19 ASP N N 19 121.904 121.904 122.396 -0.492 19752 10054 1 15 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.786 -0.222 19752 10055 1 15 . 1 1 19 19 ASP C C 19 176.698 176.698 176.090 0.608 19752 10056 1 15 . 1 1 19 19 ASP CA C 19 54.385 54.385 53.257 1.128 19752 10057 1 15 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.962 -1.738 19752 10058 1 15 . 1 1 19 19 ASP H H 19 8.379 8.379 8.358 0.021 19752 10059 1 15 . 1 1 20 20 GLY N N 20 109.177 109.177 109.390 -0.213 19752 10060 1 15 . 1 1 20 20 GLY C C 20 174.374 174.374 174.870 -0.496 19752 10061 1 15 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.312 0.326 19752 10062 1 15 . 1 1 20 20 GLY H H 20 8.390 8.390 8.547 -0.157 19752 10063 1 15 . 1 1 21 21 LYS N N 21 120.814 120.814 120.313 0.501 19752 10064 1 15 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.296 0.093 19752 10065 1 15 . 1 1 21 21 LYS C C 21 177.041 177.041 176.559 0.482 19752 10066 1 15 . 1 1 21 21 LYS CA C 21 56.576 56.576 57.646 -1.070 19752 10067 1 15 . 1 1 21 21 LYS CB C 21 33.090 33.090 33.279 -0.189 19752 10068 1 15 . 1 1 21 21 LYS H H 21 8.229 8.229 8.760 -0.531 19752 10069 1 15 . 1 1 22 22 THR N N 22 115.105 115.105 115.662 -0.557 19752 10070 1 15 . 1 1 22 22 THR HA H 22 4.393 4.393 4.493 -0.100 19752 10071 1 15 . 1 1 22 22 THR C C 22 174.607 174.607 173.116 1.491 19752 10072 1 15 . 1 1 22 22 THR CA C 22 61.880 61.880 61.640 0.240 19752 10073 1 15 . 1 1 22 22 THR CB C 22 69.736 69.736 69.571 0.165 19752 10074 1 15 . 1 1 22 22 THR H H 22 8.237 8.237 7.903 0.334 19752 10075 1 15 . 1 1 24 24 SER HA H 24 4.486 4.486 4.417 0.069 19752 10076 1 15 . 1 1 24 24 SER C C 24 174.299 174.299 175.073 -0.774 19752 10077 1 15 . 1 1 24 24 SER CA C 24 58.547 58.547 59.293 -0.746 19752 10078 1 15 . 1 1 24 24 SER CB C 24 63.787 63.787 63.136 0.651 19752 10079 1 15 . 1 1 25 25 ALA N N 25 125.891 125.891 127.342 -1.451 19752 10080 1 15 . 1 1 25 25 ALA HA H 25 4.376 4.376 3.939 0.437 19752 10081 1 15 . 1 1 25 25 ALA C C 25 177.660 177.660 177.954 -0.294 19752 10082 1 15 . 1 1 25 25 ALA CA C 25 52.629 52.629 52.781 -0.152 19752 10083 1 15 . 1 1 25 25 ALA CB C 25 19.291 19.291 17.992 1.298 19752 10084 1 15 . 1 1 25 25 ALA H H 25 8.328 8.328 8.911 -0.583 19752 10085 1 15 . 1 1 26 26 SER N N 26 115.155 115.155 110.796 4.359 19752 10086 1 15 . 1 1 26 26 SER HA H 26 4.486 4.486 3.972 0.514 19752 10087 1 15 . 1 1 26 26 SER C C 26 174.291 174.291 174.198 0.093 19752 10088 1 15 . 1 1 26 26 SER CA C 26 58.237 58.237 61.620 -3.383 19752 10089 1 15 . 1 1 26 26 SER CB C 26 63.917 63.917 62.319 1.598 19752 10090 1 15 . 1 1 26 26 SER H H 26 8.267 8.267 8.233 0.034 19752 10091 1 15 . 1 1 27 27 THR N N 27 118.324 118.324 115.374 2.950 19752 10092 1 15 . 1 1 27 27 THR HA H 27 4.627 4.627 4.772 -0.145 19752 10093 1 15 . 1 1 27 27 THR C C 27 172.782 172.782 172.294 0.488 19752 10094 1 15 . 1 1 27 27 THR CA C 27 59.748 59.748 60.286 -0.538 19752 10095 1 15 . 1 1 27 27 THR CB C 27 69.702 69.702 69.037 0.666 19752 10096 1 15 . 1 1 27 27 THR H H 27 8.164 8.164 7.819 0.345 19752 10097 1 15 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.766 -0.363 19752 10098 1 15 . 1 1 28 28 PRO C C 28 176.630 176.630 176.702 -0.072 19752 10099 1 15 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.378 0.872 19752 10100 1 15 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.754 0.411 19752 10101 1 15 . 1 1 29 29 ALA N N 29 124.263 124.263 123.641 0.622 19752 10102 1 15 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.011 0.338 19752 10103 1 15 . 1 1 29 29 ALA C C 29 177.974 177.974 177.602 0.372 19752 10104 1 15 . 1 1 29 29 ALA CA C 29 52.655 52.655 54.348 -1.693 19752 10105 1 15 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.279 1.998 19752 10106 1 15 . 1 1 29 29 ALA H H 29 8.432 8.432 8.227 0.205 19752 10107 1 15 . 1 1 30 30 THR N N 30 113.368 113.368 114.382 -1.014 19752 10108 1 15 . 1 1 30 30 THR HA H 30 4.281 4.281 4.562 -0.281 19752 10109 1 15 . 1 1 30 30 THR C C 30 174.257 174.257 174.373 -0.116 19752 10110 1 15 . 1 1 30 30 THR CA C 30 61.656 61.656 61.888 -0.232 19752 10111 1 15 . 1 1 30 30 THR CB C 30 69.801 69.801 69.600 0.202 19752 10112 1 15 . 1 1 30 30 THR H H 30 8.106 8.106 8.403 -0.297 19752 10113 1 15 . 1 1 31 31 ARG N N 31 124.700 124.700 123.127 1.573 19752 10114 1 15 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.340 0.310 19752 10115 1 15 . 1 1 31 31 ARG C C 31 174.094 174.094 175.007 -0.913 19752 10116 1 15 . 1 1 31 31 ARG CA C 31 54.051 54.051 59.227 -5.176 19752 10117 1 15 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.757 0.617 19752 10118 1 15 . 1 1 31 31 ARG H H 31 8.318 8.318 8.257 0.061 19752 10119 1 15 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.613 -0.114 19752 10120 1 15 . 1 1 32 32 PRO C C 32 177.065 177.065 176.475 0.590 19752 10121 1 15 . 1 1 32 32 PRO CA C 32 63.060 63.060 62.373 0.687 19752 10122 1 15 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.053 1.104 19752 10123 1 15 . 1 1 33 33 VAL N N 33 120.890 120.890 124.514 -3.624 19752 10124 1 15 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.934 0.274 19752 10125 1 15 . 1 1 33 33 VAL C C 33 176.668 176.668 176.801 -0.133 19752 10126 1 15 . 1 1 33 33 VAL CA C 33 62.608 62.608 64.845 -2.237 19752 10127 1 15 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.200 0.547 19752 10128 1 15 . 1 1 33 33 VAL H H 33 8.447 8.447 8.347 0.100 19752 10129 1 15 . 1 1 34 34 THR N N 34 116.709 116.709 112.046 4.663 19752 10130 1 15 . 1 1 34 34 THR HA H 34 4.377 4.377 4.409 -0.032 19752 10131 1 15 . 1 1 34 34 THR C C 34 174.791 174.791 174.450 0.341 19752 10132 1 15 . 1 1 34 34 THR CA C 34 61.700 61.700 61.350 0.350 19752 10133 1 15 . 1 1 34 34 THR CB C 34 69.697 69.697 69.773 -0.076 19752 10134 1 15 . 1 1 34 34 THR H H 34 8.221 8.221 8.081 0.140 19752 10135 1 15 . 1 1 35 35 GLY N N 35 111.182 111.182 109.803 1.379 19752 10136 1 15 . 1 1 35 35 GLY C C 35 173.940 173.940 175.133 -1.193 19752 10137 1 15 . 1 1 35 35 GLY CA C 35 45.656 45.656 44.762 0.894 19752 10138 1 15 . 1 1 35 35 GLY H H 35 8.376 8.376 7.721 0.655 19752 10139 1 15 . 1 1 36 36 SER N N 36 116.779 116.779 117.447 -0.668 19752 10140 1 15 . 1 1 36 36 SER HA H 36 4.456 4.456 4.130 0.326 19752 10141 1 15 . 1 1 36 36 SER C C 36 173.880 173.880 174.109 -0.229 19752 10142 1 15 . 1 1 36 36 SER CA C 36 58.255 58.255 60.054 -1.800 19752 10143 1 15 . 1 1 36 36 SER CB C 36 64.195 64.195 62.688 1.508 19752 10144 1 15 . 1 1 36 36 SER H H 36 8.456 8.456 8.638 -0.182 19752 10145 1 15 . 1 1 37 37 TRP N N 37 121.744 121.744 122.628 -0.884 19752 10146 1 15 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.870 -0.342 19752 10147 1 15 . 1 1 37 37 TRP C C 37 176.500 176.500 176.190 0.310 19752 10148 1 15 . 1 1 37 37 TRP CA C 37 58.090 58.090 58.034 0.056 19752 10149 1 15 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.119 0.888 19752 10150 1 15 . 1 1 37 37 TRP H H 37 8.171 8.171 7.774 0.397 19752 10151 1 15 . 1 1 38 38 LYS N N 38 123.158 123.158 120.816 2.342 19752 10152 1 15 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.746 -0.120 19752 10153 1 15 . 1 1 38 38 LYS C C 38 172.839 172.839 174.838 -1.999 19752 10154 1 15 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.425 0.731 19752 10155 1 15 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.516 0.140 19752 10156 1 15 . 1 1 38 38 LYS H H 38 8.736 8.736 8.901 -0.165 19752 10157 1 15 . 1 1 39 39 LYS N N 39 121.526 121.526 122.754 -1.228 19752 10158 1 15 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.974 0.766 19752 10159 1 15 . 1 1 39 39 LYS C C 39 177.510 177.510 176.052 1.458 19752 10160 1 15 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.674 -1.358 19752 10161 1 15 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.458 0.899 19752 10162 1 15 . 1 1 39 39 LYS H H 39 8.123 8.123 8.144 -0.021 19752 10163 1 15 . 1 1 40 40 ASN N N 40 123.988 123.988 124.441 -0.453 19752 10164 1 15 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.845 0.211 19752 10165 1 15 . 1 1 40 40 ASN C C 40 177.524 177.524 176.541 0.983 19752 10166 1 15 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.182 -1.342 19752 10167 1 15 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.733 -1.577 19752 10168 1 15 . 1 1 40 40 ASN H H 40 8.583 8.583 9.044 -0.461 19752 10169 1 15 . 1 1 41 41 GLN N N 41 116.529 116.529 121.602 -5.073 19752 10170 1 15 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.897 0.163 19752 10171 1 15 . 1 1 41 41 GLN C C 41 175.829 175.829 175.636 0.193 19752 10172 1 15 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.564 -0.803 19752 10173 1 15 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.122 -0.175 19752 10174 1 15 . 1 1 41 41 GLN H H 41 8.856 8.856 8.760 0.096 19752 10175 1 15 . 1 1 42 42 TYR N N 42 119.255 119.255 115.970 3.285 19752 10176 1 15 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.577 0.074 19752 10177 1 15 . 1 1 42 42 TYR C C 42 175.782 175.782 175.607 0.175 19752 10178 1 15 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.419 -0.299 19752 10179 1 15 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.574 0.544 19752 10180 1 15 . 1 1 42 42 TYR H H 42 7.604 7.604 7.454 0.150 19752 10181 1 15 . 1 1 43 43 GLY N N 43 106.354 106.354 107.383 -1.029 19752 10182 1 15 . 1 1 43 43 GLY C C 43 173.297 173.297 174.096 -0.799 19752 10183 1 15 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.625 -0.462 19752 10184 1 15 . 1 1 43 43 GLY H H 43 7.993 7.993 7.999 -0.006 19752 10185 1 15 . 1 1 44 44 THR N N 44 120.062 120.062 117.803 2.259 19752 10186 1 15 . 1 1 44 44 THR HA H 44 4.176 4.176 4.574 -0.398 19752 10187 1 15 . 1 1 44 44 THR C C 44 173.969 173.969 174.448 -0.479 19752 10188 1 15 . 1 1 44 44 THR CA C 44 62.132 62.132 62.668 -0.536 19752 10189 1 15 . 1 1 44 44 THR CB C 44 68.989 68.989 69.482 -0.493 19752 10190 1 15 . 1 1 44 44 THR H H 44 7.781 7.781 7.502 0.279 19752 10191 1 15 . 1 1 45 45 TRP N N 45 129.666 129.666 127.343 2.323 19752 10192 1 15 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.395 0.281 19752 10193 1 15 . 1 1 45 45 TRP C C 45 175.999 175.999 176.558 -0.559 19752 10194 1 15 . 1 1 45 45 TRP CA C 45 56.606 56.606 57.062 -0.457 19752 10195 1 15 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.615 0.026 19752 10196 1 15 . 1 1 45 45 TRP H H 45 8.041 8.041 9.104 -1.063 19752 10197 1 15 . 1 1 46 46 TYR N N 46 122.938 122.938 119.555 3.383 19752 10198 1 15 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.116 0.222 19752 10199 1 15 . 1 1 46 46 TYR C C 46 173.663 173.663 173.659 0.004 19752 10200 1 15 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.050 1.257 19752 10201 1 15 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.073 2.052 19752 10202 1 15 . 1 1 46 46 TYR H H 46 10.329 10.329 9.741 0.588 19752 10203 1 15 . 1 1 47 47 LYS N N 47 118.986 118.986 118.335 0.651 19752 10204 1 15 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.935 -0.164 19752 10205 1 15 . 1 1 47 47 LYS C C 47 172.462 172.462 173.854 -1.392 19752 10206 1 15 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.427 1.285 19752 10207 1 15 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.432 -0.314 19752 10208 1 15 . 1 1 47 47 LYS H H 47 8.923 8.923 9.282 -0.359 19752 10209 1 15 . 1 1 48 48 PRO HA H 48 4.802 4.802 5.044 -0.242 19752 10210 1 15 . 1 1 48 48 PRO C C 48 176.747 176.747 175.946 0.801 19752 10211 1 15 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.729 -0.064 19752 10212 1 15 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.792 0.247 19752 10213 1 15 . 1 1 49 49 GLU N N 49 125.285 125.285 125.598 -0.313 19752 10214 1 15 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.462 -0.474 19752 10215 1 15 . 1 1 49 49 GLU C C 49 170.927 170.927 174.290 -3.363 19752 10216 1 15 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.887 1.983 19752 10217 1 15 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.074 1.156 19752 10218 1 15 . 1 1 49 49 GLU H H 49 7.771 7.771 8.323 -0.552 19752 10219 1 15 . 1 1 50 50 ASN N N 50 122.328 122.328 123.276 -0.948 19752 10220 1 15 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.627 -0.229 19752 10221 1 15 . 1 1 50 50 ASN C C 50 173.648 173.648 174.009 -0.361 19752 10222 1 15 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.128 -0.442 19752 10223 1 15 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.830 -0.184 19752 10224 1 15 . 1 1 50 50 ASN H H 50 8.148 8.148 8.550 -0.402 19752 10225 1 15 . 1 1 51 51 ALA N N 51 126.527 126.527 128.950 -2.423 19752 10226 1 15 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.474 -0.021 19752 10227 1 15 . 1 1 51 51 ALA C C 51 172.872 172.872 174.425 -1.553 19752 10228 1 15 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.051 0.546 19752 10229 1 15 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.543 -2.873 19752 10230 1 15 . 1 1 51 51 ALA H H 51 7.085 7.085 8.281 -1.196 19752 10231 1 15 . 1 1 52 52 THR N N 52 112.831 112.831 114.072 -1.241 19752 10232 1 15 . 1 1 52 52 THR HA H 52 5.167 5.167 5.234 -0.067 19752 10233 1 15 . 1 1 52 52 THR C C 52 172.852 172.852 173.069 -0.217 19752 10234 1 15 . 1 1 52 52 THR CA C 52 62.232 62.232 61.157 1.075 19752 10235 1 15 . 1 1 52 52 THR CB C 52 71.068 71.068 71.433 -0.365 19752 10236 1 15 . 1 1 52 52 THR H H 52 8.036 8.036 8.469 -0.433 19752 10237 1 15 . 1 1 53 53 PHE N N 53 127.883 127.883 125.591 2.292 19752 10238 1 15 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.159 0.164 19752 10239 1 15 . 1 1 53 53 PHE C C 53 172.928 172.928 172.753 0.175 19752 10240 1 15 . 1 1 53 53 PHE CA C 53 55.275 55.275 56.367 -1.092 19752 10241 1 15 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.247 -0.042 19752 10242 1 15 . 1 1 53 53 PHE H H 53 9.714 9.714 9.508 0.206 19752 10243 1 15 . 1 1 54 54 VAL N N 54 127.284 127.284 126.836 0.448 19752 10244 1 15 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.758 -0.438 19752 10245 1 15 . 1 1 54 54 VAL C C 54 175.842 175.842 174.238 1.604 19752 10246 1 15 . 1 1 54 54 VAL CA C 54 60.152 60.152 59.814 0.338 19752 10247 1 15 . 1 1 54 54 VAL CB C 54 31.738 31.738 34.343 -2.604 19752 10248 1 15 . 1 1 54 54 VAL H H 54 8.583 8.583 8.706 -0.123 19752 10249 1 15 . 1 1 55 55 ASN N N 55 125.723 125.723 124.978 0.745 19752 10250 1 15 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.299 -0.139 19752 10251 1 15 . 1 1 55 55 ASN C C 55 176.333 176.333 175.691 0.642 19752 10252 1 15 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.559 0.029 19752 10253 1 15 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.941 -1.296 19752 10254 1 15 . 1 1 55 55 ASN H H 55 8.970 8.970 8.145 0.825 19752 10255 1 15 . 1 1 56 56 GLY N N 56 114.389 114.389 112.838 1.551 19752 10256 1 15 . 1 1 56 56 GLY C C 56 173.882 173.882 174.478 -0.596 19752 10257 1 15 . 1 1 56 56 GLY CA C 56 44.676 44.676 46.755 -2.079 19752 10258 1 15 . 1 1 56 56 GLY H H 56 8.360 8.360 8.390 -0.030 19752 10259 1 15 . 1 1 57 57 ASN N N 57 115.511 115.511 117.881 -2.370 19752 10260 1 15 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.773 -0.262 19752 10261 1 15 . 1 1 57 57 ASN C C 57 174.741 174.741 175.083 -0.342 19752 10262 1 15 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.978 0.235 19752 10263 1 15 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.886 -1.257 19752 10264 1 15 . 1 1 57 57 ASN H H 57 8.149 8.149 8.536 -0.387 19752 10265 1 15 . 1 1 58 58 GLN N N 58 118.128 118.128 118.527 -0.399 19752 10266 1 15 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.851 0.109 19752 10267 1 15 . 1 1 58 58 GLN C C 58 172.603 172.603 173.636 -1.033 19752 10268 1 15 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.581 0.052 19752 10269 1 15 . 1 1 58 58 GLN CB C 58 30.568 30.568 28.911 1.657 19752 10270 1 15 . 1 1 58 58 GLN H H 58 7.702 7.702 8.066 -0.364 19752 10271 1 15 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.539 0.401 19752 10272 1 15 . 1 1 59 59 PRO C C 59 176.506 176.506 176.342 0.164 19752 10273 1 15 . 1 1 59 59 PRO CA C 59 62.256 62.256 63.166 -0.909 19752 10274 1 15 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.224 0.436 19752 10275 1 15 . 1 1 60 60 ILE N N 60 120.974 120.974 124.962 -3.988 19752 10276 1 15 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.231 0.043 19752 10277 1 15 . 1 1 60 60 ILE C C 60 175.190 175.190 175.271 -0.081 19752 10278 1 15 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.078 0.609 19752 10279 1 15 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.368 2.377 19752 10280 1 15 . 1 1 60 60 ILE H H 60 8.126 8.126 8.855 -0.729 19752 10281 1 15 . 1 1 61 61 VAL N N 61 128.224 128.224 123.702 4.522 19752 10282 1 15 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.454 -0.341 19752 10283 1 15 . 1 1 61 61 VAL C C 61 175.973 175.973 175.813 0.160 19752 10284 1 15 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.660 2.616 19752 10285 1 15 . 1 1 61 61 VAL CB C 61 31.930 31.930 31.777 0.153 19752 10286 1 15 . 1 1 61 61 VAL H H 61 8.421 8.421 8.551 -0.130 19752 10287 1 15 . 1 1 62 62 THR N N 62 118.454 118.454 114.704 3.750 19752 10288 1 15 . 1 1 62 62 THR HA H 62 5.021 5.021 4.879 0.142 19752 10289 1 15 . 1 1 62 62 THR C C 62 174.936 174.936 173.946 0.990 19752 10290 1 15 . 1 1 62 62 THR CA C 62 61.286 61.286 60.404 0.882 19752 10291 1 15 . 1 1 62 62 THR CB C 62 71.133 71.133 72.115 -0.982 19752 10292 1 15 . 1 1 62 62 THR H H 62 7.989 7.989 8.927 -0.938 19752 10293 1 15 . 1 1 63 63 ARG N N 63 118.225 118.225 119.846 -1.621 19752 10294 1 15 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.401 0.028 19752 10295 1 15 . 1 1 63 63 ARG C C 63 175.607 175.607 175.406 0.201 19752 10296 1 15 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.117 -0.470 19752 10297 1 15 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.960 0.643 19752 10298 1 15 . 1 1 63 63 ARG H H 63 9.336 9.336 9.190 0.146 19752 10299 1 15 . 1 1 64 64 ILE N N 64 119.746 119.746 121.917 -2.171 19752 10300 1 15 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.034 0.431 19752 10301 1 15 . 1 1 64 64 ILE C C 64 179.206 179.206 177.295 1.911 19752 10302 1 15 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.608 -1.419 19752 10303 1 15 . 1 1 64 64 ILE CB C 64 38.248 38.248 37.738 0.510 19752 10304 1 15 . 1 1 64 64 ILE H H 64 8.741 8.741 8.437 0.304 19752 10305 1 15 . 1 1 65 65 GLY N N 65 116.059 116.059 118.451 -2.392 19752 10306 1 15 . 1 1 65 65 GLY C C 65 174.185 174.185 174.042 0.143 19752 10307 1 15 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.268 1.403 19752 10308 1 15 . 1 1 65 65 GLY H H 65 9.316 9.316 8.873 0.443 19752 10309 1 15 . 1 1 66 66 SER N N 66 114.840 114.840 116.046 -1.206 19752 10310 1 15 . 1 1 66 66 SER HA H 66 4.160 4.160 4.022 0.138 19752 10311 1 15 . 1 1 66 66 SER C C 66 170.281 170.281 171.398 -1.117 19752 10312 1 15 . 1 1 66 66 SER CA C 66 56.207 56.207 54.798 1.409 19752 10313 1 15 . 1 1 66 66 SER CB C 66 63.737 63.737 65.241 -1.504 19752 10314 1 15 . 1 1 66 66 SER H H 66 7.412 7.412 7.500 -0.088 19752 10315 1 15 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.571 -0.932 19752 10316 1 15 . 1 1 67 67 PRO C C 67 170.030 170.030 174.205 -4.175 19752 10317 1 15 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.389 -1.719 19752 10318 1 15 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.069 -5.159 19752 10319 1 15 . 1 1 68 68 PHE N N 68 111.778 111.778 118.380 -6.602 19752 10320 1 15 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.464 0.029 19752 10321 1 15 . 1 1 68 68 PHE C C 68 177.055 177.055 175.071 1.984 19752 10322 1 15 . 1 1 68 68 PHE CA C 68 55.628 55.628 57.013 -1.385 19752 10323 1 15 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.791 1.567 19752 10324 1 15 . 1 1 68 68 PHE H H 68 6.610 6.610 7.020 -0.410 19752 10325 1 15 . 1 1 69 69 LEU N N 69 119.491 119.491 122.536 -3.045 19752 10326 1 15 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.594 -0.281 19752 10327 1 15 . 1 1 69 69 LEU C C 69 176.326 176.326 176.830 -0.504 19752 10328 1 15 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.922 -0.691 19752 10329 1 15 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.666 -0.796 19752 10330 1 15 . 1 1 69 69 LEU H H 69 8.388 8.388 8.645 -0.257 19752 10331 1 15 . 1 1 70 70 ASN N N 70 112.229 112.229 115.467 -3.238 19752 10332 1 15 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.712 0.130 19752 10333 1 15 . 1 1 70 70 ASN C C 70 175.620 175.620 174.738 0.882 19752 10334 1 15 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.045 -0.377 19752 10335 1 15 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.266 0.387 19752 10336 1 15 . 1 1 70 70 ASN H H 70 7.675 7.675 8.131 -0.456 19752 10337 1 15 . 1 1 71 71 ALA N N 71 123.955 123.955 124.652 -0.697 19752 10338 1 15 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.441 0.118 19752 10339 1 15 . 1 1 71 71 ALA C C 71 174.274 174.274 175.825 -1.551 19752 10340 1 15 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.600 0.870 19752 10341 1 15 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.413 -0.570 19752 10342 1 15 . 1 1 71 71 ALA H H 71 7.152 7.152 7.247 -0.095 19752 10343 1 15 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.294 0.119 19752 10344 1 15 . 1 1 72 72 PRO C C 72 176.342 176.342 175.633 0.709 19752 10345 1 15 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.714 -0.595 19752 10346 1 15 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.700 0.456 19752 10347 1 15 . 1 1 73 73 VAL N N 73 121.078 121.078 123.138 -2.060 19752 10348 1 15 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.611 -0.327 19752 10349 1 15 . 1 1 73 73 VAL C C 73 177.864 177.864 177.390 0.474 19752 10350 1 15 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.515 2.762 19752 10351 1 15 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.463 -1.739 19752 10352 1 15 . 1 1 73 73 VAL H H 73 8.328 8.328 8.065 0.263 19752 10353 1 15 . 1 1 74 74 GLY N N 74 114.118 114.118 110.982 3.136 19752 10354 1 15 . 1 1 74 74 GLY C C 74 173.963 173.963 173.741 0.222 19752 10355 1 15 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.880 -0.095 19752 10356 1 15 . 1 1 74 74 GLY H H 74 8.781 8.781 8.728 0.053 19752 10357 1 15 . 1 1 75 75 GLY N N 75 107.324 107.324 110.030 -2.706 19752 10358 1 15 . 1 1 75 75 GLY C C 75 173.460 173.460 172.149 1.311 19752 10359 1 15 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.254 -0.506 19752 10360 1 15 . 1 1 75 75 GLY H H 75 7.278 7.278 7.794 -0.516 19752 10361 1 15 . 1 1 76 76 ASN N N 76 119.682 119.682 122.067 -2.385 19752 10362 1 15 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.117 0.305 19752 10363 1 15 . 1 1 76 76 ASN C C 76 175.760 175.760 173.892 1.868 19752 10364 1 15 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.475 -0.198 19752 10365 1 15 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.675 -2.462 19752 10366 1 15 . 1 1 76 76 ASN H H 76 8.797 8.797 8.626 0.171 19752 10367 1 15 . 1 1 77 77 LEU N N 77 129.545 129.545 125.786 3.759 19752 10368 1 15 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.927 -0.056 19752 10369 1 15 . 1 1 77 77 LEU C C 77 174.374 174.374 174.423 -0.049 19752 10370 1 15 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.036 1.178 19752 10371 1 15 . 1 1 77 77 LEU CB C 77 43.071 43.071 44.450 -1.379 19752 10372 1 15 . 1 1 77 77 LEU H H 77 10.083 10.083 9.038 1.045 19752 10373 1 15 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.468 -0.139 19752 10374 1 15 . 1 1 78 78 PRO C C 78 177.553 177.553 175.972 1.581 19752 10375 1 15 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.318 0.263 19752 10376 1 15 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.655 0.066 19752 10377 1 15 . 1 1 79 79 ALA N N 79 125.294 125.294 122.576 2.718 19752 10378 1 15 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.312 -0.052 19752 10379 1 15 . 1 1 79 79 ALA C C 79 179.984 179.984 178.401 1.583 19752 10380 1 15 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.925 0.253 19752 10381 1 15 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.932 -0.686 19752 10382 1 15 . 1 1 79 79 ALA H H 79 8.585 8.585 8.075 0.510 19752 10383 1 15 . 1 1 80 80 GLY N N 80 110.970 110.970 110.820 0.150 19752 10384 1 15 . 1 1 80 80 GLY C C 80 173.499 173.499 174.141 -0.642 19752 10385 1 15 . 1 1 80 80 GLY CA C 80 45.954 45.954 45.355 0.599 19752 10386 1 15 . 1 1 80 80 GLY H H 80 8.004 8.004 8.115 -0.111 19752 10387 1 15 . 1 1 81 81 ALA N N 81 122.249 122.249 122.192 0.057 19752 10388 1 15 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.571 -0.320 19752 10389 1 15 . 1 1 81 81 ALA C C 81 175.709 175.709 175.988 -0.279 19752 10390 1 15 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.681 1.084 19752 10391 1 15 . 1 1 81 81 ALA CB C 81 20.853 20.853 20.152 0.701 19752 10392 1 15 . 1 1 81 81 ALA H H 81 7.363 7.363 7.297 0.066 19752 10393 1 15 . 1 1 82 82 THR N N 82 114.980 114.980 119.115 -4.135 19752 10394 1 15 . 1 1 82 82 THR HA H 82 5.171 5.171 4.979 0.192 19752 10395 1 15 . 1 1 82 82 THR C C 82 174.618 174.618 173.633 0.985 19752 10396 1 15 . 1 1 82 82 THR CA C 82 62.118 62.118 62.005 0.112 19752 10397 1 15 . 1 1 82 82 THR CB C 82 70.555 70.555 69.180 1.375 19752 10398 1 15 . 1 1 82 82 THR H H 82 8.181 8.181 8.410 -0.229 19752 10399 1 15 . 1 1 83 83 ILE N N 83 127.480 127.480 128.898 -1.418 19752 10400 1 15 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.384 0.020 19752 10401 1 15 . 1 1 83 83 ILE C C 83 173.926 173.926 174.071 -0.145 19752 10402 1 15 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.828 -0.489 19752 10403 1 15 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.207 1.021 19752 10404 1 15 . 1 1 83 83 ILE H H 83 9.627 9.627 9.230 0.397 19752 10405 1 15 . 1 1 84 84 VAL N N 84 128.246 128.246 127.550 0.696 19752 10406 1 15 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.556 0.117 19752 10407 1 15 . 1 1 84 84 VAL C C 84 175.501 175.501 174.919 0.582 19752 10408 1 15 . 1 1 84 84 VAL CA C 84 62.135 62.135 59.785 2.350 19752 10409 1 15 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.900 -1.244 19752 10410 1 15 . 1 1 84 84 VAL H H 84 8.059 8.059 8.381 -0.322 19752 10411 1 15 . 1 1 85 85 TYR N N 85 126.862 126.862 124.839 2.023 19752 10412 1 15 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.939 0.486 19752 10413 1 15 . 1 1 85 85 TYR C C 85 174.273 174.273 174.159 0.114 19752 10414 1 15 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.725 0.086 19752 10415 1 15 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.741 1.535 19752 10416 1 15 . 1 1 85 85 TYR H H 85 8.840 8.840 8.693 0.147 19752 10417 1 15 . 1 1 86 86 ASP N N 86 115.086 115.086 117.326 -2.240 19752 10418 1 15 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.897 0.571 19752 10419 1 15 . 1 1 86 86 ASP C C 86 177.943 177.943 176.096 1.847 19752 10420 1 15 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.616 0.587 19752 10421 1 15 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.054 0.521 19752 10422 1 15 . 1 1 86 86 ASP H H 86 8.843 8.843 8.572 0.271 19752 10423 1 15 . 1 1 87 87 GLU N N 87 124.208 124.208 120.230 3.978 19752 10424 1 15 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.220 -0.105 19752 10425 1 15 . 1 1 87 87 GLU C C 87 173.613 173.613 174.363 -0.750 19752 10426 1 15 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.647 0.125 19752 10427 1 15 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.606 1.901 19752 10428 1 15 . 1 1 87 87 GLU H H 87 8.121 8.121 7.757 0.364 19752 10429 1 15 . 1 1 88 88 VAL N N 88 121.754 121.754 127.550 -5.796 19752 10430 1 15 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.780 0.934 19752 10431 1 15 . 1 1 88 88 VAL C C 88 175.480 175.480 174.793 0.687 19752 10432 1 15 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.604 -1.834 19752 10433 1 15 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.344 1.300 19752 10434 1 15 . 1 1 88 88 VAL H H 88 8.822 8.822 9.082 -0.260 19752 10435 1 15 . 1 1 89 89 CYS N N 89 118.234 118.234 125.964 -7.730 19752 10436 1 15 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.058 0.241 19752 10437 1 15 . 1 1 89 89 CYS C C 89 174.126 174.126 174.159 -0.033 19752 10438 1 15 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.614 -0.528 19752 10439 1 15 . 1 1 89 89 CYS CB C 89 33.104 33.104 32.398 0.706 19752 10440 1 15 . 1 1 89 89 CYS H H 89 9.404 9.404 9.613 -0.209 19752 10441 1 15 . 1 1 90 90 ILE N N 90 122.085 122.085 123.056 -0.971 19752 10442 1 15 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.818 0.415 19752 10443 1 15 . 1 1 90 90 ILE C C 90 176.210 176.210 174.224 1.986 19752 10444 1 15 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.592 0.967 19752 10445 1 15 . 1 1 90 90 ILE CB C 90 41.489 41.489 40.269 1.220 19752 10446 1 15 . 1 1 90 90 ILE H H 90 9.773 9.773 9.585 0.188 19752 10447 1 15 . 1 1 91 91 GLN N N 91 125.884 125.884 127.598 -1.714 19752 10448 1 15 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.763 -0.144 19752 10449 1 15 . 1 1 91 91 GLN C C 91 176.019 176.019 174.659 1.360 19752 10450 1 15 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.382 1.840 19752 10451 1 15 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.703 -1.510 19752 10452 1 15 . 1 1 91 91 GLN H H 91 8.910 8.910 9.005 -0.095 19752 10453 1 15 . 1 1 92 92 ALA N N 92 131.300 131.300 128.952 2.348 19752 10454 1 15 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.147 0.377 19752 10455 1 15 . 1 1 92 92 ALA C C 92 178.514 178.514 177.779 0.735 19752 10456 1 15 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.961 -0.495 19752 10457 1 15 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.898 0.371 19752 10458 1 15 . 1 1 92 92 ALA H H 92 9.888 9.888 8.857 1.031 19752 10459 1 15 . 1 1 93 93 GLY N N 93 107.622 107.622 112.758 -5.136 19752 10460 1 15 . 1 1 93 93 GLY C C 93 174.796 174.796 173.651 1.145 19752 10461 1 15 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.059 1.411 19752 10462 1 15 . 1 1 93 93 GLY H H 93 9.675 9.675 8.316 1.359 19752 10463 1 15 . 1 1 94 94 HIS N N 94 118.233 118.233 119.933 -1.700 19752 10464 1 15 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.065 -0.239 19752 10465 1 15 . 1 1 94 94 HIS C C 94 173.575 173.575 172.825 0.750 19752 10466 1 15 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.808 0.412 19752 10467 1 15 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.777 -2.044 19752 10468 1 15 . 1 1 94 94 HIS H H 94 8.337 8.337 8.572 -0.235 19752 10469 1 15 . 1 1 95 95 ILE N N 95 118.964 118.964 121.879 -2.915 19752 10470 1 15 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.604 0.607 19752 10471 1 15 . 1 1 95 95 ILE C C 95 174.555 174.555 173.845 0.710 19752 10472 1 15 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.215 0.767 19752 10473 1 15 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.379 -1.596 19752 10474 1 15 . 1 1 95 95 ILE H H 95 8.116 8.116 7.912 0.204 19752 10475 1 15 . 1 1 96 96 TRP N N 96 127.092 127.092 128.521 -1.429 19752 10476 1 15 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.683 -0.206 19752 10477 1 15 . 1 1 96 96 TRP C C 96 176.216 176.216 175.838 0.378 19752 10478 1 15 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.081 -0.838 19752 10479 1 15 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.759 -0.991 19752 10480 1 15 . 1 1 96 96 TRP H H 96 9.869 9.869 9.297 0.572 19752 10481 1 15 . 1 1 97 97 ILE N N 97 113.283 113.283 118.910 -5.627 19752 10482 1 15 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.232 0.240 19752 10483 1 15 . 1 1 97 97 ILE C C 97 175.278 175.278 175.255 0.023 19752 10484 1 15 . 1 1 97 97 ILE CA C 97 59.184 59.184 58.867 0.317 19752 10485 1 15 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.389 0.260 19752 10486 1 15 . 1 1 97 97 ILE H H 97 8.893 8.893 8.888 0.005 19752 10487 1 15 . 1 1 98 98 GLY N N 98 109.684 109.684 113.733 -4.049 19752 10488 1 15 . 1 1 98 98 GLY C C 98 172.048 172.048 172.297 -0.249 19752 10489 1 15 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.577 1.543 19752 10490 1 15 . 1 1 98 98 GLY H H 98 9.043 9.043 9.060 -0.017 19752 10491 1 15 . 1 1 99 99 TYR N N 99 117.809 117.809 121.167 -3.358 19752 10492 1 15 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.071 -0.163 19752 10493 1 15 . 1 1 99 99 TYR C C 99 172.626 172.626 173.087 -0.461 19752 10494 1 15 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.899 1.360 19752 10495 1 15 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.911 -0.764 19752 10496 1 15 . 1 1 99 99 TYR H H 99 8.434 8.434 8.555 -0.121 19752 10497 1 15 . 1 1 100 100 ASN N N 100 117.139 117.139 120.803 -3.664 19752 10498 1 15 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.202 0.084 19752 10499 1 15 . 1 1 100 100 ASN C C 100 175.315 175.315 175.080 0.235 19752 10500 1 15 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.362 -0.376 19752 10501 1 15 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.136 -0.761 19752 10502 1 15 . 1 1 100 100 ASN H H 100 8.844 8.844 8.733 0.111 19752 10503 1 15 . 1 1 101 101 ALA N N 101 126.218 126.218 129.126 -2.908 19752 10504 1 15 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.760 -0.123 19752 10505 1 15 . 1 1 101 101 ALA C C 101 179.095 179.095 178.514 0.581 19752 10506 1 15 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.526 0.686 19752 10507 1 15 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.187 0.455 19752 10508 1 15 . 1 1 101 101 ALA H H 101 8.870 8.870 9.024 -0.154 19752 10509 1 15 . 1 1 102 102 TYR N N 102 121.067 121.067 119.088 1.979 19752 10510 1 15 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.269 0.070 19752 10511 1 15 . 1 1 102 102 TYR C C 102 175.986 175.986 176.063 -0.077 19752 10512 1 15 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.582 0.562 19752 10513 1 15 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.769 -0.116 19752 10514 1 15 . 1 1 102 102 TYR H H 102 8.720 8.720 8.562 0.158 19752 10515 1 15 . 1 1 103 103 ASN N N 103 115.289 115.289 118.747 -3.458 19752 10516 1 15 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.580 -0.168 19752 10517 1 15 . 1 1 103 103 ASN C C 103 175.963 175.963 176.263 -0.300 19752 10518 1 15 . 1 1 103 103 ASN CA C 103 52.246 52.246 53.209 -0.963 19752 10519 1 15 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.475 -1.230 19752 10520 1 15 . 1 1 103 103 ASN H H 103 7.490 7.490 7.550 -0.060 19752 10521 1 15 . 1 1 104 104 GLY N N 104 107.204 107.204 108.362 -1.158 19752 10522 1 15 . 1 1 104 104 GLY C C 104 174.620 174.620 173.447 1.173 19752 10523 1 15 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.085 0.043 19752 10524 1 15 . 1 1 104 104 GLY H H 104 8.020 8.020 8.371 -0.351 19752 10525 1 15 . 1 1 105 105 ASN N N 105 118.581 118.581 119.705 -1.124 19752 10526 1 15 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.689 -0.113 19752 10527 1 15 . 1 1 105 105 ASN C C 105 173.805 173.805 174.044 -0.239 19752 10528 1 15 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.240 0.790 19752 10529 1 15 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.999 -1.015 19752 10530 1 15 . 1 1 105 105 ASN H H 105 7.703 7.703 7.620 0.083 19752 10531 1 15 . 1 1 106 106 ARG N N 106 123.191 123.191 126.585 -3.394 19752 10532 1 15 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.580 -0.016 19752 10533 1 15 . 1 1 106 106 ARG C C 106 174.360 174.360 175.096 -0.736 19752 10534 1 15 . 1 1 106 106 ARG CA C 106 54.662 54.662 54.943 -0.281 19752 10535 1 15 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.712 0.895 19752 10536 1 15 . 1 1 106 106 ARG H H 106 8.635 8.635 8.701 -0.066 19752 10537 1 15 . 1 1 107 107 VAL N N 107 128.482 128.482 125.959 2.523 19752 10538 1 15 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.356 0.197 19752 10539 1 15 . 1 1 107 107 VAL C C 107 172.290 172.290 174.108 -1.818 19752 10540 1 15 . 1 1 107 107 VAL CA C 107 60.684 60.684 61.114 -0.430 19752 10541 1 15 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.355 1.122 19752 10542 1 15 . 1 1 107 107 VAL H H 107 8.668 8.668 8.405 0.263 19752 10543 1 15 . 1 1 108 108 TYR N N 108 119.055 119.055 124.514 -5.459 19752 10544 1 15 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.683 -0.190 19752 10545 1 15 . 1 1 108 108 TYR C C 108 175.215 175.215 175.169 0.046 19752 10546 1 15 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.430 0.142 19752 10547 1 15 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.392 1.043 19752 10548 1 15 . 1 1 108 108 TYR H H 108 8.944 8.944 9.162 -0.218 19752 10549 1 15 . 1 1 109 109 CYS N N 109 124.377 124.377 122.022 2.355 19752 10550 1 15 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.188 0.257 19752 10551 1 15 . 1 1 109 109 CYS C C 109 171.899 171.899 173.702 -1.803 19752 10552 1 15 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.390 -1.225 19752 10553 1 15 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.422 -1.619 19752 10554 1 15 . 1 1 109 109 CYS H H 109 9.675 9.675 8.994 0.681 19752 10555 1 15 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.243 0.936 19752 10556 1 15 . 1 1 110 110 PRO C C 110 175.490 175.490 177.007 -1.517 19752 10557 1 15 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.645 -1.047 19752 10558 1 15 . 1 1 110 110 PRO CB C 110 29.456 29.456 31.252 -1.796 19752 10559 1 15 . 1 1 111 111 VAL N N 111 109.293 109.293 112.131 -2.838 19752 10560 1 15 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.502 0.907 19752 10561 1 15 . 1 1 111 111 VAL C C 111 173.598 173.598 174.660 -1.062 19752 10562 1 15 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.209 -4.116 19752 10563 1 15 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.612 3.909 19752 10564 1 15 . 1 1 111 111 VAL H H 111 8.382 8.382 7.499 0.883 19752 10565 1 15 . 1 1 112 112 ARG N N 112 110.825 110.825 116.374 -5.549 19752 10566 1 15 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.825 -1.667 19752 10567 1 15 . 1 1 112 112 ARG C C 112 175.480 175.480 175.315 0.165 19752 10568 1 15 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.863 0.586 19752 10569 1 15 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.522 -1.376 19752 10570 1 15 . 1 1 112 112 ARG H H 112 6.735 6.735 7.856 -1.121 19752 10571 1 15 . 1 1 113 113 THR N N 113 111.002 111.002 118.525 -7.523 19752 10572 1 15 . 1 1 113 113 THR HA H 113 4.238 4.238 3.844 0.394 19752 10573 1 15 . 1 1 113 113 THR C C 113 174.123 174.123 173.579 0.544 19752 10574 1 15 . 1 1 113 113 THR CA C 113 62.468 62.468 64.497 -2.029 19752 10575 1 15 . 1 1 113 113 THR CB C 113 70.502 70.502 68.964 1.538 19752 10576 1 15 . 1 1 113 113 THR H H 113 8.898 8.898 7.823 1.075 19752 10577 1 15 . 1 1 114 114 CYS N N 114 119.522 119.522 125.480 -5.958 19752 10578 1 15 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.453 -0.938 19752 10579 1 15 . 1 1 114 114 CYS C C 114 172.669 172.669 173.549 -0.880 19752 10580 1 15 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.624 1.993 19752 10581 1 15 . 1 1 114 114 CYS CB C 114 29.545 29.545 29.927 -0.382 19752 10582 1 15 . 1 1 114 114 CYS H H 114 7.936 7.936 8.492 -0.556 19752 10583 1 15 . 1 1 115 115 GLN N N 115 129.342 129.342 123.800 5.542 19752 10584 1 15 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.457 0.171 19752 10585 1 15 . 1 1 115 115 GLN C C 115 175.456 175.456 175.344 0.112 19752 10586 1 15 . 1 1 115 115 GLN CA C 115 54.242 54.242 55.370 -1.128 19752 10587 1 15 . 1 1 115 115 GLN CB C 115 31.176 31.176 30.384 0.792 19752 10588 1 15 . 1 1 115 115 GLN H H 115 7.963 7.963 8.035 -0.072 19752 10589 1 15 . 1 1 116 116 GLY N N 116 112.311 112.311 108.352 3.959 19752 10590 1 15 . 1 1 116 116 GLY C C 116 171.907 171.907 171.888 0.019 19752 10591 1 15 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.770 -0.553 19752 10592 1 15 . 1 1 116 116 GLY H H 116 8.591 8.591 8.301 0.290 19752 10593 1 15 . 1 1 117 117 VAL N N 117 110.113 110.113 119.337 -9.224 19752 10594 1 15 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.201 -0.063 19752 10595 1 15 . 1 1 117 117 VAL C C 117 171.857 171.857 173.581 -1.724 19752 10596 1 15 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.343 -0.386 19752 10597 1 15 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.808 -2.259 19752 10598 1 15 . 1 1 117 117 VAL H H 117 7.745 7.745 7.642 0.103 19752 10599 1 15 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.991 0.505 19752 10600 1 15 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.771 -1.281 19752 10601 1 15 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.505 -0.745 19752 10602 1 15 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.214 0.162 19752 10603 1 15 . 1 1 119 119 PRO C C 119 176.006 176.006 175.967 0.039 19752 10604 1 15 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.221 0.935 19752 10605 1 15 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.857 1.178 19752 10606 1 15 . 1 1 120 120 ASN N N 120 124.472 124.472 120.025 4.447 19752 10607 1 15 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.493 0.411 19752 10608 1 15 . 1 1 120 120 ASN C C 120 172.963 172.963 173.828 -0.865 19752 10609 1 15 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.205 -0.090 19752 10610 1 15 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.218 1.009 19752 10611 1 15 . 1 1 120 120 ASN H H 120 8.414 8.414 7.792 0.622 19752 10612 1 15 . 1 1 121 121 HIS N N 121 120.276 120.276 120.077 0.199 19752 10613 1 15 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.887 -0.460 19752 10614 1 15 . 1 1 121 121 HIS C C 121 174.788 174.788 174.262 0.526 19752 10615 1 15 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.764 1.936 19752 10616 1 15 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.723 -0.014 19752 10617 1 15 . 1 1 121 121 HIS H H 121 8.591 8.591 7.632 0.959 19752 10618 1 15 . 1 1 122 122 ILE N N 122 120.474 120.474 125.757 -5.283 19752 10619 1 15 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.404 -0.059 19752 10620 1 15 . 1 1 122 122 ILE C C 122 174.718 174.718 174.408 0.310 19752 10621 1 15 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.302 -0.172 19752 10622 1 15 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.461 1.309 19752 10623 1 15 . 1 1 122 122 ILE H H 122 8.883 8.883 8.968 -0.085 19752 10624 1 15 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.690 -0.194 19752 10625 1 15 . 1 1 123 123 PRO C C 123 177.104 177.104 176.407 0.697 19752 10626 1 15 . 1 1 123 123 PRO CA C 123 62.607 62.607 62.272 0.335 19752 10627 1 15 . 1 1 123 123 PRO CB C 123 32.529 32.529 31.863 0.665 19752 10628 1 15 . 1 1 124 124 GLY N N 124 111.030 111.030 112.204 -1.174 19752 10629 1 15 . 1 1 124 124 GLY C C 124 173.906 173.906 173.450 0.456 19752 10630 1 15 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.745 -0.628 19752 10631 1 15 . 1 1 124 124 GLY H H 124 8.553 8.553 8.594 -0.041 19752 10632 1 15 . 1 1 125 125 VAL N N 125 121.916 121.916 121.967 -0.051 19752 10633 1 15 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.818 0.102 19752 10634 1 15 . 1 1 125 125 VAL C C 125 176.148 176.148 174.748 1.400 19752 10635 1 15 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.512 1.126 19752 10636 1 15 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.980 0.138 19752 10637 1 15 . 1 1 125 125 VAL H H 125 8.493 8.493 8.099 0.394 19752 10638 1 15 . 1 1 126 126 ALA N N 126 127.872 127.872 130.335 -2.463 19752 10639 1 15 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.470 0.020 19752 10640 1 15 . 1 1 126 126 ALA C C 126 179.447 179.447 176.948 2.499 19752 10641 1 15 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.129 1.540 19752 10642 1 15 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.457 0.171 19752 10643 1 15 . 1 1 126 126 ALA H H 126 8.835 8.835 8.435 0.400 19752 10644 1 15 . 1 1 127 127 TRP N N 127 121.928 121.928 123.612 -1.684 19752 10645 1 15 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.916 0.197 19752 10646 1 15 . 1 1 127 127 TRP C C 127 174.684 174.684 175.368 -0.684 19752 10647 1 15 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.697 -1.069 19752 10648 1 15 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.085 -1.931 19752 10649 1 15 . 1 1 127 127 TRP H H 127 8.555 8.555 9.046 -0.491 19752 10650 1 15 . 1 1 128 128 GLY N N 128 103.981 103.981 106.262 -2.281 19752 10651 1 15 . 1 1 128 128 GLY C C 128 171.694 171.694 172.470 -0.776 19752 10652 1 15 . 1 1 128 128 GLY CA C 128 45.689 45.689 45.001 0.688 19752 10653 1 15 . 1 1 128 128 GLY H H 128 7.280 7.280 7.703 -0.423 19752 10654 1 15 . 1 1 129 129 VAL N N 129 119.078 119.078 121.172 -2.094 19752 10655 1 15 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.507 -0.164 19752 10656 1 15 . 1 1 129 129 VAL C C 129 173.255 173.255 174.849 -1.594 19752 10657 1 15 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.870 -0.209 19752 10658 1 15 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.425 2.126 19752 10659 1 15 . 1 1 129 129 VAL H H 129 8.274 8.274 8.573 -0.299 19752 10660 1 15 . 1 1 130 130 PHE N N 130 122.633 122.633 128.448 -5.815 19752 10661 1 15 . 1 1 130 130 PHE HA H 130 5.544 5.544 4.757 0.787 19752 10662 1 15 . 1 1 130 130 PHE C C 130 175.771 175.771 176.071 -0.300 19752 10663 1 15 . 1 1 130 130 PHE CA C 130 57.176 57.176 59.170 -1.994 19752 10664 1 15 . 1 1 130 130 PHE CB C 130 40.670 40.670 39.794 0.875 19752 10665 1 15 . 1 1 130 130 PHE H H 130 8.464 8.464 9.115 -0.651 19752 10666 1 16 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.721 0.045 19752 10667 1 16 . 1 1 2 2 ASN C C 2 174.930 174.930 175.928 -0.998 19752 10668 1 16 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.788 -0.579 19752 10669 1 16 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.612 0.601 19752 10670 1 16 . 1 1 3 3 ALA N N 3 124.643 124.643 121.757 2.886 19752 10671 1 16 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.229 0.035 19752 10672 1 16 . 1 1 3 3 ALA C C 3 177.790 177.790 177.329 0.461 19752 10673 1 16 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.628 0.209 19752 10674 1 16 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.131 0.109 19752 10675 1 16 . 1 1 3 3 ALA H H 3 8.386 8.386 7.963 0.423 19752 10676 1 16 . 1 1 4 4 LYS N N 4 120.203 120.203 121.219 -1.016 19752 10677 1 16 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.165 0.058 19752 10678 1 16 . 1 1 4 4 LYS C C 4 176.230 176.230 174.526 1.704 19752 10679 1 16 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.024 0.510 19752 10680 1 16 . 1 1 4 4 LYS CB C 4 32.811 32.811 31.186 1.625 19752 10681 1 16 . 1 1 4 4 LYS H H 4 8.300 8.300 8.001 0.299 19752 10682 1 16 . 1 1 5 5 ASN N N 5 119.229 119.229 120.216 -0.987 19752 10683 1 16 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.667 0.001 19752 10684 1 16 . 1 1 5 5 ASN C C 5 175.033 175.033 173.519 1.514 19752 10685 1 16 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.282 -0.157 19752 10686 1 16 . 1 1 5 5 ASN CB C 5 38.777 38.777 40.198 -1.421 19752 10687 1 16 . 1 1 5 5 ASN H H 5 8.320 8.320 7.283 1.037 19752 10688 1 16 . 1 1 6 6 TYR N N 6 120.593 120.593 121.885 -1.292 19752 10689 1 16 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.834 -0.324 19752 10690 1 16 . 1 1 6 6 TYR C C 6 175.554 175.554 176.190 -0.636 19752 10691 1 16 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.806 0.407 19752 10692 1 16 . 1 1 6 6 TYR CB C 6 38.601 38.601 41.265 -2.664 19752 10693 1 16 . 1 1 6 6 TYR H H 6 8.087 8.087 8.705 -0.618 19752 10694 1 16 . 1 1 7 7 MET N N 7 121.477 121.477 123.272 -1.795 19752 10695 1 16 . 1 1 7 7 MET HA H 7 4.391 4.391 4.403 -0.012 19752 10696 1 16 . 1 1 7 7 MET C C 7 175.609 175.609 176.073 -0.464 19752 10697 1 16 . 1 1 7 7 MET CA C 7 55.494 55.494 56.561 -1.067 19752 10698 1 16 . 1 1 7 7 MET CB C 7 32.970 32.970 32.897 0.073 19752 10699 1 16 . 1 1 7 7 MET H H 7 8.121 8.121 8.672 -0.551 19752 10700 1 16 . 1 1 8 8 ASP N N 8 121.704 121.704 119.524 2.180 19752 10701 1 16 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.452 0.103 19752 10702 1 16 . 1 1 8 8 ASP C C 8 176.344 176.344 174.951 1.393 19752 10703 1 16 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.770 -0.299 19752 10704 1 16 . 1 1 8 8 ASP CB C 8 41.322 41.322 40.993 0.329 19752 10705 1 16 . 1 1 8 8 ASP H H 8 8.189 8.189 8.368 -0.179 19752 10706 1 16 . 1 1 9 9 LYS N N 9 122.168 122.168 123.378 -1.210 19752 10707 1 16 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.570 -0.263 19752 10708 1 16 . 1 1 9 9 LYS C C 9 177.267 177.267 176.473 0.794 19752 10709 1 16 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.832 0.790 19752 10710 1 16 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.748 0.017 19752 10711 1 16 . 1 1 9 9 LYS H H 9 8.335 8.335 8.306 0.029 19752 10712 1 16 . 1 1 10 10 GLY N N 10 109.505 109.505 110.866 -1.361 19752 10713 1 16 . 1 1 10 10 GLY C C 10 174.568 174.568 174.991 -0.423 19752 10714 1 16 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.748 -0.165 19752 10715 1 16 . 1 1 10 10 GLY H H 10 8.497 8.497 8.363 0.134 19752 10716 1 16 . 1 1 11 11 THR N N 11 113.312 113.312 117.975 -4.663 19752 10717 1 16 . 1 1 11 11 THR HA H 11 4.396 4.396 4.473 -0.077 19752 10718 1 16 . 1 1 11 11 THR C C 11 174.719 174.719 174.566 0.153 19752 10719 1 16 . 1 1 11 11 THR CA C 11 61.779 61.779 62.394 -0.615 19752 10720 1 16 . 1 1 11 11 THR CB C 11 69.963 69.963 68.913 1.050 19752 10721 1 16 . 1 1 11 11 THR H H 11 8.081 8.081 7.841 0.240 19752 10722 1 16 . 1 1 12 12 SER N N 12 118.272 118.272 122.326 -4.054 19752 10723 1 16 . 1 1 12 12 SER HA H 12 4.499 4.499 4.350 0.149 19752 10724 1 16 . 1 1 12 12 SER C C 12 174.766 174.766 174.439 0.327 19752 10725 1 16 . 1 1 12 12 SER CA C 12 58.432 58.432 59.792 -1.360 19752 10726 1 16 . 1 1 12 12 SER CB C 12 63.986 63.986 63.689 0.297 19752 10727 1 16 . 1 1 12 12 SER H H 12 8.413 8.413 8.524 -0.111 19752 10728 1 16 . 1 1 13 13 SER N N 13 118.106 118.106 115.532 2.574 19752 10729 1 16 . 1 1 13 13 SER HA H 13 4.518 4.518 4.619 -0.101 19752 10730 1 16 . 1 1 13 13 SER C C 13 174.674 174.674 173.318 1.356 19752 10731 1 16 . 1 1 13 13 SER CA C 13 58.607 58.607 57.468 1.139 19752 10732 1 16 . 1 1 13 13 SER CB C 13 63.869 63.869 66.018 -2.149 19752 10733 1 16 . 1 1 13 13 SER H H 13 8.414 8.414 7.888 0.526 19752 10734 1 16 . 1 1 14 14 SER N N 14 117.724 117.724 119.524 -1.800 19752 10735 1 16 . 1 1 14 14 SER HA H 14 4.535 4.535 4.617 -0.082 19752 10736 1 16 . 1 1 14 14 SER C C 14 174.743 174.743 174.399 0.344 19752 10737 1 16 . 1 1 14 14 SER CA C 14 58.630 58.630 58.015 0.615 19752 10738 1 16 . 1 1 14 14 SER CB C 14 63.798 63.798 63.125 0.673 19752 10739 1 16 . 1 1 14 14 SER H H 14 8.379 8.379 8.330 0.049 19752 10740 1 16 . 1 1 15 15 THR N N 15 116.549 116.549 114.546 2.003 19752 10741 1 16 . 1 1 15 15 THR HA H 15 4.336 4.336 4.007 0.329 19752 10742 1 16 . 1 1 15 15 THR C C 15 174.310 174.310 173.604 0.706 19752 10743 1 16 . 1 1 15 15 THR CA C 15 62.161 62.161 62.994 -0.833 19752 10744 1 16 . 1 1 15 15 THR CB C 15 69.603 69.603 68.330 1.273 19752 10745 1 16 . 1 1 15 15 THR H H 15 8.195 8.195 8.910 -0.715 19752 10746 1 16 . 1 1 16 16 VAL N N 16 123.406 123.406 122.190 1.216 19752 10747 1 16 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.093 0.009 19752 10748 1 16 . 1 1 16 16 VAL C C 16 175.934 175.934 175.895 0.039 19752 10749 1 16 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.935 0.577 19752 10750 1 16 . 1 1 16 16 VAL CB C 16 32.738 32.738 31.361 1.377 19752 10751 1 16 . 1 1 16 16 VAL H H 16 8.121 8.121 7.904 0.217 19752 10752 1 16 . 1 1 17 17 VAL N N 17 125.445 125.445 123.809 1.636 19752 10753 1 16 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.216 -0.131 19752 10754 1 16 . 1 1 17 17 VAL C C 17 176.102 176.102 175.824 0.278 19752 10755 1 16 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.527 -0.248 19752 10756 1 16 . 1 1 17 17 VAL CB C 17 32.677 32.677 32.536 0.141 19752 10757 1 16 . 1 1 17 17 VAL H H 17 8.293 8.293 8.248 0.045 19752 10758 1 16 . 1 1 18 18 LYS N N 18 126.281 126.281 120.590 5.691 19752 10759 1 16 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.426 -0.084 19752 10760 1 16 . 1 1 18 18 LYS C C 18 176.138 176.138 175.084 1.054 19752 10761 1 16 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.727 0.478 19752 10762 1 16 . 1 1 18 18 LYS CB C 18 33.146 33.146 35.388 -2.242 19752 10763 1 16 . 1 1 18 18 LYS H H 18 8.478 8.478 7.449 1.029 19752 10764 1 16 . 1 1 19 19 ASP N N 19 121.904 121.904 121.400 0.504 19752 10765 1 16 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.620 -0.056 19752 10766 1 16 . 1 1 19 19 ASP C C 19 176.698 176.698 176.611 0.087 19752 10767 1 16 . 1 1 19 19 ASP CA C 19 54.385 54.385 53.617 0.768 19752 10768 1 16 . 1 1 19 19 ASP CB C 19 41.223 41.223 40.760 0.464 19752 10769 1 16 . 1 1 19 19 ASP H H 19 8.379 8.379 8.606 -0.227 19752 10770 1 16 . 1 1 20 20 GLY N N 20 109.177 109.177 107.794 1.383 19752 10771 1 16 . 1 1 20 20 GLY C C 20 174.374 174.374 173.540 0.834 19752 10772 1 16 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.830 0.808 19752 10773 1 16 . 1 1 20 20 GLY H H 20 8.390 8.390 8.542 -0.152 19752 10774 1 16 . 1 1 21 21 LYS N N 21 120.814 120.814 119.505 1.309 19752 10775 1 16 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.593 -0.204 19752 10776 1 16 . 1 1 21 21 LYS C C 21 177.041 177.041 175.685 1.356 19752 10777 1 16 . 1 1 21 21 LYS CA C 21 56.576 56.576 54.005 2.571 19752 10778 1 16 . 1 1 21 21 LYS CB C 21 33.090 33.090 34.900 -1.810 19752 10779 1 16 . 1 1 21 21 LYS H H 21 8.229 8.229 7.946 0.283 19752 10780 1 16 . 1 1 22 22 THR N N 22 115.105 115.105 117.157 -2.052 19752 10781 1 16 . 1 1 22 22 THR HA H 22 4.393 4.393 4.376 0.017 19752 10782 1 16 . 1 1 22 22 THR C C 22 174.607 174.607 173.878 0.729 19752 10783 1 16 . 1 1 22 22 THR CA C 22 61.880 61.880 63.794 -1.914 19752 10784 1 16 . 1 1 22 22 THR CB C 22 69.736 69.736 67.996 1.740 19752 10785 1 16 . 1 1 22 22 THR H H 22 8.237 8.237 8.477 -0.240 19752 10786 1 16 . 1 1 24 24 SER HA H 24 4.486 4.486 4.499 -0.013 19752 10787 1 16 . 1 1 24 24 SER C C 24 174.299 174.299 174.455 -0.156 19752 10788 1 16 . 1 1 24 24 SER CA C 24 58.547 58.547 59.703 -1.156 19752 10789 1 16 . 1 1 24 24 SER CB C 24 63.787 63.787 63.795 -0.008 19752 10790 1 16 . 1 1 25 25 ALA N N 25 125.891 125.891 124.931 0.960 19752 10791 1 16 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.191 0.185 19752 10792 1 16 . 1 1 25 25 ALA C C 25 177.660 177.660 178.371 -0.711 19752 10793 1 16 . 1 1 25 25 ALA CA C 25 52.629 52.629 54.037 -1.408 19752 10794 1 16 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.089 0.202 19752 10795 1 16 . 1 1 25 25 ALA H H 25 8.328 8.328 7.512 0.816 19752 10796 1 16 . 1 1 26 26 SER N N 26 115.155 115.155 115.568 -0.413 19752 10797 1 16 . 1 1 26 26 SER HA H 26 4.486 4.486 4.530 -0.044 19752 10798 1 16 . 1 1 26 26 SER C C 26 174.291 174.291 174.402 -0.111 19752 10799 1 16 . 1 1 26 26 SER CA C 26 58.237 58.237 58.557 -0.320 19752 10800 1 16 . 1 1 26 26 SER CB C 26 63.917 63.917 62.582 1.335 19752 10801 1 16 . 1 1 26 26 SER H H 26 8.267 8.267 7.934 0.333 19752 10802 1 16 . 1 1 27 27 THR N N 27 118.324 118.324 119.117 -0.793 19752 10803 1 16 . 1 1 27 27 THR HA H 27 4.627 4.627 4.686 -0.059 19752 10804 1 16 . 1 1 27 27 THR C C 27 172.782 172.782 173.606 -0.824 19752 10805 1 16 . 1 1 27 27 THR CA C 27 59.748 59.748 59.470 0.278 19752 10806 1 16 . 1 1 27 27 THR CB C 27 69.702 69.702 68.480 1.222 19752 10807 1 16 . 1 1 27 27 THR H H 27 8.164 8.164 7.961 0.203 19752 10808 1 16 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.713 -0.310 19752 10809 1 16 . 1 1 28 28 PRO C C 28 176.630 176.630 176.066 0.564 19752 10810 1 16 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.791 0.459 19752 10811 1 16 . 1 1 28 28 PRO CB C 28 32.165 32.165 30.602 1.563 19752 10812 1 16 . 1 1 29 29 ALA N N 29 124.263 124.263 127.261 -2.998 19752 10813 1 16 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.309 0.040 19752 10814 1 16 . 1 1 29 29 ALA C C 29 177.974 177.974 177.216 0.758 19752 10815 1 16 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.135 -0.480 19752 10816 1 16 . 1 1 29 29 ALA CB C 29 19.277 19.277 19.858 -0.581 19752 10817 1 16 . 1 1 29 29 ALA H H 29 8.432 8.432 8.457 -0.025 19752 10818 1 16 . 1 1 30 30 THR N N 30 113.368 113.368 109.859 3.509 19752 10819 1 16 . 1 1 30 30 THR HA H 30 4.281 4.281 4.356 -0.075 19752 10820 1 16 . 1 1 30 30 THR C C 30 174.257 174.257 173.661 0.596 19752 10821 1 16 . 1 1 30 30 THR CA C 30 61.656 61.656 61.492 0.164 19752 10822 1 16 . 1 1 30 30 THR CB C 30 69.801 69.801 69.377 0.424 19752 10823 1 16 . 1 1 30 30 THR H H 30 8.106 8.106 7.239 0.867 19752 10824 1 16 . 1 1 31 31 ARG N N 31 124.700 124.700 119.065 5.635 19752 10825 1 16 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.174 0.476 19752 10826 1 16 . 1 1 31 31 ARG C C 31 174.094 174.094 175.313 -1.219 19752 10827 1 16 . 1 1 31 31 ARG CA C 31 54.051 54.051 58.295 -4.244 19752 10828 1 16 . 1 1 31 31 ARG CB C 31 30.374 30.374 26.825 3.549 19752 10829 1 16 . 1 1 31 31 ARG H H 31 8.318 8.318 8.557 -0.239 19752 10830 1 16 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.660 -0.161 19752 10831 1 16 . 1 1 32 32 PRO C C 32 177.065 177.065 176.761 0.304 19752 10832 1 16 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.076 -0.016 19752 10833 1 16 . 1 1 32 32 PRO CB C 32 32.157 32.157 30.542 1.615 19752 10834 1 16 . 1 1 33 33 VAL N N 33 120.890 120.890 116.101 4.789 19752 10835 1 16 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.079 0.129 19752 10836 1 16 . 1 1 33 33 VAL C C 33 176.668 176.668 176.528 0.140 19752 10837 1 16 . 1 1 33 33 VAL CA C 33 62.608 62.608 63.451 -0.843 19752 10838 1 16 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.021 1.726 19752 10839 1 16 . 1 1 33 33 VAL H H 33 8.447 8.447 7.610 0.837 19752 10840 1 16 . 1 1 34 34 THR N N 34 116.709 116.709 112.548 4.161 19752 10841 1 16 . 1 1 34 34 THR HA H 34 4.377 4.377 4.202 0.175 19752 10842 1 16 . 1 1 34 34 THR C C 34 174.791 174.791 176.360 -1.569 19752 10843 1 16 . 1 1 34 34 THR CA C 34 61.700 61.700 64.002 -2.302 19752 10844 1 16 . 1 1 34 34 THR CB C 34 69.697 69.697 69.233 0.464 19752 10845 1 16 . 1 1 34 34 THR H H 34 8.221 8.221 7.611 0.610 19752 10846 1 16 . 1 1 35 35 GLY N N 35 111.182 111.182 111.132 0.050 19752 10847 1 16 . 1 1 35 35 GLY C C 35 173.940 173.940 175.685 -1.745 19752 10848 1 16 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.909 -1.253 19752 10849 1 16 . 1 1 35 35 GLY H H 35 8.376 8.376 7.818 0.558 19752 10850 1 16 . 1 1 36 36 SER N N 36 116.779 116.779 119.877 -3.098 19752 10851 1 16 . 1 1 36 36 SER HA H 36 4.456 4.456 4.440 0.016 19752 10852 1 16 . 1 1 36 36 SER C C 36 173.880 173.880 174.328 -0.448 19752 10853 1 16 . 1 1 36 36 SER CA C 36 58.255 58.255 58.875 -0.620 19752 10854 1 16 . 1 1 36 36 SER CB C 36 64.195 64.195 63.894 0.301 19752 10855 1 16 . 1 1 36 36 SER H H 36 8.456 8.456 8.242 0.214 19752 10856 1 16 . 1 1 37 37 TRP N N 37 121.744 121.744 122.774 -1.030 19752 10857 1 16 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.836 -0.308 19752 10858 1 16 . 1 1 37 37 TRP C C 37 176.500 176.500 175.109 1.391 19752 10859 1 16 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.411 0.679 19752 10860 1 16 . 1 1 37 37 TRP CB C 37 31.007 31.007 29.946 1.061 19752 10861 1 16 . 1 1 37 37 TRP H H 37 8.171 8.171 7.965 0.206 19752 10862 1 16 . 1 1 38 38 LYS N N 38 123.158 123.158 123.897 -0.739 19752 10863 1 16 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.773 -0.147 19752 10864 1 16 . 1 1 38 38 LYS C C 38 172.839 172.839 175.012 -2.173 19752 10865 1 16 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.247 1.909 19752 10866 1 16 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.182 0.474 19752 10867 1 16 . 1 1 38 38 LYS H H 38 8.736 8.736 8.907 -0.171 19752 10868 1 16 . 1 1 39 39 LYS N N 39 121.526 121.526 127.011 -5.485 19752 10869 1 16 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.776 0.964 19752 10870 1 16 . 1 1 39 39 LYS C C 39 177.510 177.510 175.864 1.646 19752 10871 1 16 . 1 1 39 39 LYS CA C 39 54.316 54.316 56.022 -1.706 19752 10872 1 16 . 1 1 39 39 LYS CB C 39 33.357 33.357 31.971 1.386 19752 10873 1 16 . 1 1 39 39 LYS H H 39 8.123 8.123 8.211 -0.088 19752 10874 1 16 . 1 1 40 40 ASN N N 40 123.988 123.988 125.021 -1.033 19752 10875 1 16 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.892 0.164 19752 10876 1 16 . 1 1 40 40 ASN C C 40 177.524 177.524 176.411 1.113 19752 10877 1 16 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.306 -1.466 19752 10878 1 16 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.955 -1.799 19752 10879 1 16 . 1 1 40 40 ASN H H 40 8.583 8.583 8.951 -0.368 19752 10880 1 16 . 1 1 41 41 GLN N N 41 116.529 116.529 120.895 -4.366 19752 10881 1 16 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.892 0.168 19752 10882 1 16 . 1 1 41 41 GLN C C 41 175.829 175.829 175.609 0.220 19752 10883 1 16 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.607 -0.846 19752 10884 1 16 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.148 -0.201 19752 10885 1 16 . 1 1 41 41 GLN H H 41 8.856 8.856 8.855 0.001 19752 10886 1 16 . 1 1 42 42 TYR N N 42 119.255 119.255 116.967 2.288 19752 10887 1 16 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.648 0.003 19752 10888 1 16 . 1 1 42 42 TYR C C 42 175.782 175.782 175.953 -0.171 19752 10889 1 16 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.369 -0.249 19752 10890 1 16 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.194 0.924 19752 10891 1 16 . 1 1 42 42 TYR H H 42 7.604 7.604 7.417 0.187 19752 10892 1 16 . 1 1 43 43 GLY N N 43 106.354 106.354 108.397 -2.043 19752 10893 1 16 . 1 1 43 43 GLY C C 43 173.297 173.297 174.397 -1.100 19752 10894 1 16 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.543 -0.380 19752 10895 1 16 . 1 1 43 43 GLY H H 43 7.993 7.993 7.980 0.013 19752 10896 1 16 . 1 1 44 44 THR N N 44 120.062 120.062 116.844 3.218 19752 10897 1 16 . 1 1 44 44 THR HA H 44 4.176 4.176 4.692 -0.516 19752 10898 1 16 . 1 1 44 44 THR C C 44 173.969 173.969 173.861 0.108 19752 10899 1 16 . 1 1 44 44 THR CA C 44 62.132 62.132 62.524 -0.392 19752 10900 1 16 . 1 1 44 44 THR CB C 44 68.989 68.989 69.407 -0.418 19752 10901 1 16 . 1 1 44 44 THR H H 44 7.781 7.781 7.213 0.568 19752 10902 1 16 . 1 1 45 45 TRP N N 45 129.666 129.666 128.917 0.749 19752 10903 1 16 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.186 0.490 19752 10904 1 16 . 1 1 45 45 TRP C C 45 175.999 175.999 176.090 -0.091 19752 10905 1 16 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.504 0.102 19752 10906 1 16 . 1 1 45 45 TRP CB C 45 30.641 30.641 29.853 0.788 19752 10907 1 16 . 1 1 45 45 TRP H H 45 8.041 8.041 8.830 -0.789 19752 10908 1 16 . 1 1 46 46 TYR N N 46 122.938 122.938 120.639 2.299 19752 10909 1 16 . 1 1 46 46 TYR HA H 46 6.338 6.338 5.970 0.368 19752 10910 1 16 . 1 1 46 46 TYR C C 46 173.663 173.663 173.817 -0.154 19752 10911 1 16 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.273 1.034 19752 10912 1 16 . 1 1 46 46 TYR CB C 46 44.125 44.125 41.863 2.262 19752 10913 1 16 . 1 1 46 46 TYR H H 46 10.329 10.329 9.333 0.996 19752 10914 1 16 . 1 1 47 47 LYS N N 47 118.986 118.986 118.968 0.018 19752 10915 1 16 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.075 -0.304 19752 10916 1 16 . 1 1 47 47 LYS C C 47 172.462 172.462 174.164 -1.702 19752 10917 1 16 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.310 1.401 19752 10918 1 16 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.891 -0.773 19752 10919 1 16 . 1 1 47 47 LYS H H 47 8.923 8.923 9.269 -0.346 19752 10920 1 16 . 1 1 48 48 PRO HA H 48 4.802 4.802 5.048 -0.246 19752 10921 1 16 . 1 1 48 48 PRO C C 48 176.747 176.747 176.178 0.569 19752 10922 1 16 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.823 -0.158 19752 10923 1 16 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.828 0.211 19752 10924 1 16 . 1 1 49 49 GLU N N 49 125.285 125.285 123.555 1.730 19752 10925 1 16 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.457 -0.469 19752 10926 1 16 . 1 1 49 49 GLU C C 49 170.927 170.927 174.334 -3.407 19752 10927 1 16 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.023 1.847 19752 10928 1 16 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.754 0.476 19752 10929 1 16 . 1 1 49 49 GLU H H 49 7.771 7.771 8.604 -0.833 19752 10930 1 16 . 1 1 50 50 ASN N N 50 122.328 122.328 124.891 -2.563 19752 10931 1 16 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.710 -0.312 19752 10932 1 16 . 1 1 50 50 ASN C C 50 173.648 173.648 173.842 -0.194 19752 10933 1 16 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.425 -0.739 19752 10934 1 16 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.600 0.046 19752 10935 1 16 . 1 1 50 50 ASN H H 50 8.148 8.148 8.629 -0.481 19752 10936 1 16 . 1 1 51 51 ALA N N 51 126.527 126.527 128.880 -2.353 19752 10937 1 16 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.589 -0.136 19752 10938 1 16 . 1 1 51 51 ALA C C 51 172.872 172.872 174.448 -1.576 19752 10939 1 16 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.614 -0.017 19752 10940 1 16 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.055 -2.385 19752 10941 1 16 . 1 1 51 51 ALA H H 51 7.085 7.085 7.921 -0.836 19752 10942 1 16 . 1 1 52 52 THR N N 52 112.831 112.831 113.959 -1.128 19752 10943 1 16 . 1 1 52 52 THR HA H 52 5.167 5.167 5.011 0.156 19752 10944 1 16 . 1 1 52 52 THR C C 52 172.852 172.852 172.873 -0.021 19752 10945 1 16 . 1 1 52 52 THR CA C 52 62.232 62.232 61.983 0.249 19752 10946 1 16 . 1 1 52 52 THR CB C 52 71.068 71.068 70.685 0.383 19752 10947 1 16 . 1 1 52 52 THR H H 52 8.036 8.036 7.943 0.093 19752 10948 1 16 . 1 1 53 53 PHE N N 53 127.883 127.883 125.854 2.029 19752 10949 1 16 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.268 0.055 19752 10950 1 16 . 1 1 53 53 PHE C C 53 172.928 172.928 172.859 0.069 19752 10951 1 16 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.885 -0.610 19752 10952 1 16 . 1 1 53 53 PHE CB C 53 43.205 43.205 43.112 0.093 19752 10953 1 16 . 1 1 53 53 PHE H H 53 9.714 9.714 9.525 0.189 19752 10954 1 16 . 1 1 54 54 VAL N N 54 127.284 127.284 127.872 -0.588 19752 10955 1 16 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.334 -0.014 19752 10956 1 16 . 1 1 54 54 VAL C C 54 175.842 175.842 174.078 1.764 19752 10957 1 16 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.413 -0.261 19752 10958 1 16 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.544 -0.806 19752 10959 1 16 . 1 1 54 54 VAL H H 54 8.583 8.583 8.823 -0.240 19752 10960 1 16 . 1 1 55 55 ASN N N 55 125.723 125.723 125.683 0.040 19752 10961 1 16 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.121 0.039 19752 10962 1 16 . 1 1 55 55 ASN C C 55 176.333 176.333 174.725 1.608 19752 10963 1 16 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.674 -0.085 19752 10964 1 16 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.800 -1.155 19752 10965 1 16 . 1 1 55 55 ASN H H 55 8.970 8.970 8.251 0.719 19752 10966 1 16 . 1 1 56 56 GLY N N 56 114.389 114.389 111.905 2.484 19752 10967 1 16 . 1 1 56 56 GLY C C 56 173.882 173.882 174.714 -0.832 19752 10968 1 16 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.728 -1.052 19752 10969 1 16 . 1 1 56 56 GLY H H 56 8.360 8.360 8.300 0.060 19752 10970 1 16 . 1 1 57 57 ASN N N 57 115.511 115.511 119.464 -3.953 19752 10971 1 16 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.636 -0.125 19752 10972 1 16 . 1 1 57 57 ASN C C 57 174.741 174.741 175.627 -0.886 19752 10973 1 16 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.089 0.124 19752 10974 1 16 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.398 -0.769 19752 10975 1 16 . 1 1 57 57 ASN H H 57 8.149 8.149 8.261 -0.112 19752 10976 1 16 . 1 1 58 58 GLN N N 58 118.128 118.128 117.151 0.977 19752 10977 1 16 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.684 0.276 19752 10978 1 16 . 1 1 58 58 GLN C C 58 172.603 172.603 172.998 -0.395 19752 10979 1 16 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.953 -0.320 19752 10980 1 16 . 1 1 58 58 GLN CB C 58 30.568 30.568 30.038 0.530 19752 10981 1 16 . 1 1 58 58 GLN H H 58 7.702 7.702 7.624 0.078 19752 10982 1 16 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.545 0.395 19752 10983 1 16 . 1 1 59 59 PRO C C 59 176.506 176.506 175.956 0.550 19752 10984 1 16 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.809 -0.553 19752 10985 1 16 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.187 0.473 19752 10986 1 16 . 1 1 60 60 ILE N N 60 120.974 120.974 125.601 -4.627 19752 10987 1 16 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.152 0.122 19752 10988 1 16 . 1 1 60 60 ILE C C 60 175.190 175.190 175.369 -0.179 19752 10989 1 16 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.366 0.321 19752 10990 1 16 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.494 2.251 19752 10991 1 16 . 1 1 60 60 ILE H H 60 8.126 8.126 8.618 -0.492 19752 10992 1 16 . 1 1 61 61 VAL N N 61 128.224 128.224 129.017 -0.793 19752 10993 1 16 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.128 -0.015 19752 10994 1 16 . 1 1 61 61 VAL C C 61 175.973 175.973 175.536 0.437 19752 10995 1 16 . 1 1 61 61 VAL CA C 61 64.276 64.276 62.023 2.253 19752 10996 1 16 . 1 1 61 61 VAL CB C 61 31.930 31.930 33.012 -1.082 19752 10997 1 16 . 1 1 61 61 VAL H H 61 8.421 8.421 8.526 -0.105 19752 10998 1 16 . 1 1 62 62 THR N N 62 118.454 118.454 122.074 -3.620 19752 10999 1 16 . 1 1 62 62 THR HA H 62 5.021 5.021 4.888 0.133 19752 11000 1 16 . 1 1 62 62 THR C C 62 174.936 174.936 173.653 1.283 19752 11001 1 16 . 1 1 62 62 THR CA C 62 61.286 61.286 60.278 1.008 19752 11002 1 16 . 1 1 62 62 THR CB C 62 71.133 71.133 71.695 -0.562 19752 11003 1 16 . 1 1 62 62 THR H H 62 7.989 7.989 9.030 -1.041 19752 11004 1 16 . 1 1 63 63 ARG N N 63 118.225 118.225 118.839 -0.614 19752 11005 1 16 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.247 0.182 19752 11006 1 16 . 1 1 63 63 ARG C C 63 175.607 175.607 175.241 0.366 19752 11007 1 16 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.301 -0.654 19752 11008 1 16 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.028 0.576 19752 11009 1 16 . 1 1 63 63 ARG H H 63 9.336 9.336 8.945 0.391 19752 11010 1 16 . 1 1 64 64 ILE N N 64 119.746 119.746 121.946 -2.200 19752 11011 1 16 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.323 0.142 19752 11012 1 16 . 1 1 64 64 ILE C C 64 179.206 179.206 177.395 1.811 19752 11013 1 16 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.129 -0.940 19752 11014 1 16 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.281 -0.033 19752 11015 1 16 . 1 1 64 64 ILE H H 64 8.741 8.741 8.412 0.329 19752 11016 1 16 . 1 1 65 65 GLY N N 65 116.059 116.059 116.958 -0.899 19752 11017 1 16 . 1 1 65 65 GLY C C 65 174.185 174.185 173.766 0.419 19752 11018 1 16 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.124 1.546 19752 11019 1 16 . 1 1 65 65 GLY H H 65 9.316 9.316 9.145 0.171 19752 11020 1 16 . 1 1 66 66 SER N N 66 114.840 114.840 114.693 0.147 19752 11021 1 16 . 1 1 66 66 SER HA H 66 4.160 4.160 4.206 -0.046 19752 11022 1 16 . 1 1 66 66 SER C C 66 170.281 170.281 171.669 -1.388 19752 11023 1 16 . 1 1 66 66 SER CA C 66 56.207 56.207 55.419 0.788 19752 11024 1 16 . 1 1 66 66 SER CB C 66 63.737 63.737 65.289 -1.552 19752 11025 1 16 . 1 1 66 66 SER H H 66 7.412 7.412 7.628 -0.216 19752 11026 1 16 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.617 -0.978 19752 11027 1 16 . 1 1 67 67 PRO C C 67 170.030 170.030 173.970 -3.940 19752 11028 1 16 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.769 -2.099 19752 11029 1 16 . 1 1 67 67 PRO CB C 67 25.910 25.910 30.928 -5.019 19752 11030 1 16 . 1 1 68 68 PHE N N 68 111.778 111.778 117.448 -5.670 19752 11031 1 16 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.475 0.018 19752 11032 1 16 . 1 1 68 68 PHE C C 68 177.055 177.055 176.217 0.838 19752 11033 1 16 . 1 1 68 68 PHE CA C 68 55.628 55.628 57.000 -1.372 19752 11034 1 16 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.964 1.395 19752 11035 1 16 . 1 1 68 68 PHE H H 68 6.610 6.610 7.043 -0.433 19752 11036 1 16 . 1 1 69 69 LEU N N 69 119.491 119.491 121.894 -2.403 19752 11037 1 16 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.536 -0.223 19752 11038 1 16 . 1 1 69 69 LEU C C 69 176.326 176.326 177.118 -0.792 19752 11039 1 16 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.235 -1.004 19752 11040 1 16 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.105 -1.235 19752 11041 1 16 . 1 1 69 69 LEU H H 69 8.388 8.388 9.021 -0.633 19752 11042 1 16 . 1 1 70 70 ASN N N 70 112.229 112.229 116.393 -4.164 19752 11043 1 16 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.865 -0.023 19752 11044 1 16 . 1 1 70 70 ASN C C 70 175.620 175.620 174.151 1.469 19752 11045 1 16 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.456 -0.788 19752 11046 1 16 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.369 -0.716 19752 11047 1 16 . 1 1 70 70 ASN H H 70 7.675 7.675 8.306 -0.631 19752 11048 1 16 . 1 1 71 71 ALA N N 71 123.955 123.955 124.394 -0.439 19752 11049 1 16 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.570 -0.011 19752 11050 1 16 . 1 1 71 71 ALA C C 71 174.274 174.274 175.469 -1.195 19752 11051 1 16 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.272 1.198 19752 11052 1 16 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.406 -0.563 19752 11053 1 16 . 1 1 71 71 ALA H H 71 7.152 7.152 7.205 -0.053 19752 11054 1 16 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.273 0.140 19752 11055 1 16 . 1 1 72 72 PRO C C 72 176.342 176.342 175.691 0.651 19752 11056 1 16 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.726 -0.607 19752 11057 1 16 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.806 0.350 19752 11058 1 16 . 1 1 73 73 VAL N N 73 121.078 121.078 123.478 -2.400 19752 11059 1 16 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.156 0.128 19752 11060 1 16 . 1 1 73 73 VAL C C 73 177.864 177.864 177.316 0.548 19752 11061 1 16 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.378 2.899 19752 11062 1 16 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.082 -1.358 19752 11063 1 16 . 1 1 73 73 VAL H H 73 8.328 8.328 8.242 0.086 19752 11064 1 16 . 1 1 74 74 GLY N N 74 114.118 114.118 112.074 2.044 19752 11065 1 16 . 1 1 74 74 GLY C C 74 173.963 173.963 173.414 0.549 19752 11066 1 16 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.868 -0.083 19752 11067 1 16 . 1 1 74 74 GLY H H 74 8.781 8.781 8.777 0.004 19752 11068 1 16 . 1 1 75 75 GLY N N 75 107.324 107.324 109.219 -1.895 19752 11069 1 16 . 1 1 75 75 GLY C C 75 173.460 173.460 172.458 1.002 19752 11070 1 16 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.901 -1.153 19752 11071 1 16 . 1 1 75 75 GLY H H 75 7.278 7.278 7.946 -0.668 19752 11072 1 16 . 1 1 76 76 ASN N N 76 119.682 119.682 122.277 -2.595 19752 11073 1 16 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.896 0.526 19752 11074 1 16 . 1 1 76 76 ASN C C 76 175.760 175.760 174.024 1.736 19752 11075 1 16 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.883 -0.606 19752 11076 1 16 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.587 -2.374 19752 11077 1 16 . 1 1 76 76 ASN H H 76 8.797 8.797 8.566 0.231 19752 11078 1 16 . 1 1 77 77 LEU N N 77 129.545 129.545 127.180 2.365 19752 11079 1 16 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.006 -0.135 19752 11080 1 16 . 1 1 77 77 LEU C C 77 174.374 174.374 174.364 0.010 19752 11081 1 16 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.292 0.922 19752 11082 1 16 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.825 -0.754 19752 11083 1 16 . 1 1 77 77 LEU H H 77 10.083 10.083 9.017 1.066 19752 11084 1 16 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.496 -0.167 19752 11085 1 16 . 1 1 78 78 PRO C C 78 177.553 177.553 176.065 1.488 19752 11086 1 16 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.099 0.482 19752 11087 1 16 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.655 0.066 19752 11088 1 16 . 1 1 79 79 ALA N N 79 125.294 125.294 121.813 3.481 19752 11089 1 16 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.043 0.217 19752 11090 1 16 . 1 1 79 79 ALA C C 79 179.984 179.984 178.134 1.850 19752 11091 1 16 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.783 0.395 19752 11092 1 16 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.476 -0.230 19752 11093 1 16 . 1 1 79 79 ALA H H 79 8.585 8.585 8.236 0.349 19752 11094 1 16 . 1 1 80 80 GLY N N 80 110.970 110.970 111.654 -0.684 19752 11095 1 16 . 1 1 80 80 GLY C C 80 173.499 173.499 174.025 -0.526 19752 11096 1 16 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.648 1.306 19752 11097 1 16 . 1 1 80 80 GLY H H 80 8.004 8.004 8.232 -0.228 19752 11098 1 16 . 1 1 81 81 ALA N N 81 122.249 122.249 123.841 -1.592 19752 11099 1 16 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.353 -0.102 19752 11100 1 16 . 1 1 81 81 ALA C C 81 175.709 175.709 176.135 -0.426 19752 11101 1 16 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.745 0.020 19752 11102 1 16 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.433 1.420 19752 11103 1 16 . 1 1 81 81 ALA H H 81 7.363 7.363 7.383 -0.020 19752 11104 1 16 . 1 1 82 82 THR N N 82 114.980 114.980 120.095 -5.115 19752 11105 1 16 . 1 1 82 82 THR HA H 82 5.171 5.171 5.007 0.164 19752 11106 1 16 . 1 1 82 82 THR C C 82 174.618 174.618 173.806 0.812 19752 11107 1 16 . 1 1 82 82 THR CA C 82 62.118 62.118 62.207 -0.089 19752 11108 1 16 . 1 1 82 82 THR CB C 82 70.555 70.555 69.221 1.334 19752 11109 1 16 . 1 1 82 82 THR H H 82 8.181 8.181 8.288 -0.107 19752 11110 1 16 . 1 1 83 83 ILE N N 83 127.480 127.480 129.043 -1.563 19752 11111 1 16 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.375 0.029 19752 11112 1 16 . 1 1 83 83 ILE C C 83 173.926 173.926 174.051 -0.125 19752 11113 1 16 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.520 -0.181 19752 11114 1 16 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.508 1.720 19752 11115 1 16 . 1 1 83 83 ILE H H 83 9.627 9.627 9.228 0.399 19752 11116 1 16 . 1 1 84 84 VAL N N 84 128.246 128.246 127.987 0.259 19752 11117 1 16 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.397 0.276 19752 11118 1 16 . 1 1 84 84 VAL C C 84 175.501 175.501 174.740 0.761 19752 11119 1 16 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.361 1.774 19752 11120 1 16 . 1 1 84 84 VAL CB C 84 31.656 31.656 33.676 -2.020 19752 11121 1 16 . 1 1 84 84 VAL H H 84 8.059 8.059 8.408 -0.349 19752 11122 1 16 . 1 1 85 85 TYR N N 85 126.862 126.862 124.904 1.958 19752 11123 1 16 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.953 0.472 19752 11124 1 16 . 1 1 85 85 TYR C C 85 174.273 174.273 174.109 0.164 19752 11125 1 16 . 1 1 85 85 TYR CA C 85 55.811 55.811 56.124 -0.313 19752 11126 1 16 . 1 1 85 85 TYR CB C 85 42.276 42.276 41.023 1.253 19752 11127 1 16 . 1 1 85 85 TYR H H 85 8.840 8.840 8.614 0.226 19752 11128 1 16 . 1 1 86 86 ASP N N 86 115.086 115.086 117.218 -2.132 19752 11129 1 16 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.938 0.530 19752 11130 1 16 . 1 1 86 86 ASP C C 86 177.943 177.943 175.884 2.059 19752 11131 1 16 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.945 0.258 19752 11132 1 16 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.210 0.365 19752 11133 1 16 . 1 1 86 86 ASP H H 86 8.843 8.843 8.777 0.066 19752 11134 1 16 . 1 1 87 87 GLU N N 87 124.208 124.208 121.101 3.107 19752 11135 1 16 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.178 -0.063 19752 11136 1 16 . 1 1 87 87 GLU C C 87 173.613 173.613 174.370 -0.757 19752 11137 1 16 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.428 0.344 19752 11138 1 16 . 1 1 87 87 GLU CB C 87 35.507 35.507 32.882 2.625 19752 11139 1 16 . 1 1 87 87 GLU H H 87 8.121 8.121 7.803 0.318 19752 11140 1 16 . 1 1 88 88 VAL N N 88 121.754 121.754 126.721 -4.967 19752 11141 1 16 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.994 0.720 19752 11142 1 16 . 1 1 88 88 VAL C C 88 175.480 175.480 174.699 0.781 19752 11143 1 16 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.627 -0.857 19752 11144 1 16 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.772 0.872 19752 11145 1 16 . 1 1 88 88 VAL H H 88 8.822 8.822 9.211 -0.389 19752 11146 1 16 . 1 1 89 89 CYS N N 89 118.234 118.234 124.926 -6.692 19752 11147 1 16 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.147 0.152 19752 11148 1 16 . 1 1 89 89 CYS C C 89 174.126 174.126 173.457 0.669 19752 11149 1 16 . 1 1 89 89 CYS CA C 89 56.085 56.085 55.736 0.349 19752 11150 1 16 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.806 1.298 19752 11151 1 16 . 1 1 89 89 CYS H H 89 9.404 9.404 9.633 -0.229 19752 11152 1 16 . 1 1 90 90 ILE N N 90 122.085 122.085 122.488 -0.403 19752 11153 1 16 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.560 0.673 19752 11154 1 16 . 1 1 90 90 ILE C C 90 176.210 176.210 174.504 1.706 19752 11155 1 16 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.901 0.658 19752 11156 1 16 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.234 2.255 19752 11157 1 16 . 1 1 90 90 ILE H H 90 9.773 9.773 9.260 0.513 19752 11158 1 16 . 1 1 91 91 GLN N N 91 125.884 125.884 127.344 -1.460 19752 11159 1 16 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.872 -0.253 19752 11160 1 16 . 1 1 91 91 GLN C C 91 176.019 176.019 174.447 1.572 19752 11161 1 16 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.238 1.984 19752 11162 1 16 . 1 1 91 91 GLN CB C 91 31.193 31.193 33.140 -1.947 19752 11163 1 16 . 1 1 91 91 GLN H H 91 8.910 8.910 8.448 0.462 19752 11164 1 16 . 1 1 92 92 ALA N N 92 131.300 131.300 128.416 2.884 19752 11165 1 16 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.153 0.371 19752 11166 1 16 . 1 1 92 92 ALA C C 92 178.514 178.514 177.180 1.334 19752 11167 1 16 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.120 -0.654 19752 11168 1 16 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.258 0.011 19752 11169 1 16 . 1 1 92 92 ALA H H 92 9.888 9.888 8.863 1.025 19752 11170 1 16 . 1 1 93 93 GLY N N 93 107.622 107.622 112.026 -4.404 19752 11171 1 16 . 1 1 93 93 GLY C C 93 174.796 174.796 173.464 1.332 19752 11172 1 16 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.906 1.564 19752 11173 1 16 . 1 1 93 93 GLY H H 93 9.675 9.675 8.539 1.136 19752 11174 1 16 . 1 1 94 94 HIS N N 94 118.233 118.233 119.036 -0.803 19752 11175 1 16 . 1 1 94 94 HIS HA H 94 4.826 4.826 4.953 -0.127 19752 11176 1 16 . 1 1 94 94 HIS C C 94 173.575 173.575 172.379 1.196 19752 11177 1 16 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.812 0.408 19752 11178 1 16 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.937 -2.204 19752 11179 1 16 . 1 1 94 94 HIS H H 94 8.337 8.337 8.322 0.015 19752 11180 1 16 . 1 1 95 95 ILE N N 95 118.964 118.964 121.772 -2.808 19752 11181 1 16 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.634 0.577 19752 11182 1 16 . 1 1 95 95 ILE C C 95 174.555 174.555 173.824 0.731 19752 11183 1 16 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.709 1.273 19752 11184 1 16 . 1 1 95 95 ILE CB C 95 38.783 38.783 39.579 -0.796 19752 11185 1 16 . 1 1 95 95 ILE H H 95 8.116 8.116 7.709 0.407 19752 11186 1 16 . 1 1 96 96 TRP N N 96 127.092 127.092 129.357 -2.265 19752 11187 1 16 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.477 0.000 19752 11188 1 16 . 1 1 96 96 TRP C C 96 176.216 176.216 177.039 -0.823 19752 11189 1 16 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.209 -0.966 19752 11190 1 16 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.137 0.631 19752 11191 1 16 . 1 1 96 96 TRP H H 96 9.869 9.869 9.136 0.733 19752 11192 1 16 . 1 1 97 97 ILE N N 97 113.283 113.283 119.448 -6.165 19752 11193 1 16 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.142 0.330 19752 11194 1 16 . 1 1 97 97 ILE C C 97 175.278 175.278 175.456 -0.178 19752 11195 1 16 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.307 -0.123 19752 11196 1 16 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.333 0.316 19752 11197 1 16 . 1 1 97 97 ILE H H 97 8.893 8.893 9.191 -0.298 19752 11198 1 16 . 1 1 98 98 GLY N N 98 109.684 109.684 113.181 -3.497 19752 11199 1 16 . 1 1 98 98 GLY C C 98 172.048 172.048 172.473 -0.425 19752 11200 1 16 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.737 1.383 19752 11201 1 16 . 1 1 98 98 GLY H H 98 9.043 9.043 8.951 0.092 19752 11202 1 16 . 1 1 99 99 TYR N N 99 117.809 117.809 121.250 -3.441 19752 11203 1 16 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.969 -0.061 19752 11204 1 16 . 1 1 99 99 TYR C C 99 172.626 172.626 173.176 -0.550 19752 11205 1 16 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.486 0.773 19752 11206 1 16 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.214 -0.067 19752 11207 1 16 . 1 1 99 99 TYR H H 99 8.434 8.434 8.041 0.393 19752 11208 1 16 . 1 1 100 100 ASN N N 100 117.139 117.139 119.149 -2.010 19752 11209 1 16 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.295 -0.009 19752 11210 1 16 . 1 1 100 100 ASN C C 100 175.315 175.315 173.987 1.328 19752 11211 1 16 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.010 -0.023 19752 11212 1 16 . 1 1 100 100 ASN CB C 100 39.375 39.375 41.072 -1.697 19752 11213 1 16 . 1 1 100 100 ASN H H 100 8.844 8.844 8.567 0.277 19752 11214 1 16 . 1 1 101 101 ALA N N 101 126.218 126.218 123.647 2.571 19752 11215 1 16 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.816 -0.179 19752 11216 1 16 . 1 1 101 101 ALA C C 101 179.095 179.095 178.833 0.262 19752 11217 1 16 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.108 1.103 19752 11218 1 16 . 1 1 101 101 ALA CB C 101 20.642 20.642 21.193 -0.551 19752 11219 1 16 . 1 1 101 101 ALA H H 101 8.870 8.870 8.775 0.095 19752 11220 1 16 . 1 1 102 102 TYR N N 102 121.067 121.067 119.208 1.859 19752 11221 1 16 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.292 0.047 19752 11222 1 16 . 1 1 102 102 TYR C C 102 175.986 175.986 175.750 0.236 19752 11223 1 16 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.666 -0.522 19752 11224 1 16 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.709 -0.056 19752 11225 1 16 . 1 1 102 102 TYR H H 102 8.720 8.720 8.783 -0.063 19752 11226 1 16 . 1 1 103 103 ASN N N 103 115.289 115.289 117.604 -2.315 19752 11227 1 16 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.721 -0.309 19752 11228 1 16 . 1 1 103 103 ASN C C 103 175.963 175.963 175.119 0.844 19752 11229 1 16 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.501 -0.255 19752 11230 1 16 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.681 -1.436 19752 11231 1 16 . 1 1 103 103 ASN H H 103 7.490 7.490 7.679 -0.189 19752 11232 1 16 . 1 1 104 104 GLY N N 104 107.204 107.204 106.716 0.488 19752 11233 1 16 . 1 1 104 104 GLY C C 104 174.620 174.620 173.707 0.913 19752 11234 1 16 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.336 -0.208 19752 11235 1 16 . 1 1 104 104 GLY H H 104 8.020 8.020 8.168 -0.148 19752 11236 1 16 . 1 1 105 105 ASN N N 105 118.581 118.581 118.432 0.149 19752 11237 1 16 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.599 -0.023 19752 11238 1 16 . 1 1 105 105 ASN C C 105 173.805 173.805 174.198 -0.393 19752 11239 1 16 . 1 1 105 105 ASN CA C 105 53.030 53.030 53.224 -0.194 19752 11240 1 16 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.278 -0.294 19752 11241 1 16 . 1 1 105 105 ASN H H 105 7.703 7.703 7.642 0.061 19752 11242 1 16 . 1 1 106 106 ARG N N 106 123.191 123.191 124.467 -1.276 19752 11243 1 16 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.452 0.112 19752 11244 1 16 . 1 1 106 106 ARG C C 106 174.360 174.360 174.870 -0.510 19752 11245 1 16 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.613 -0.951 19752 11246 1 16 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.970 0.637 19752 11247 1 16 . 1 1 106 106 ARG H H 106 8.635 8.635 8.656 -0.021 19752 11248 1 16 . 1 1 107 107 VAL N N 107 128.482 128.482 126.500 1.982 19752 11249 1 16 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.587 -0.034 19752 11250 1 16 . 1 1 107 107 VAL C C 107 172.290 172.290 173.732 -1.442 19752 11251 1 16 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.668 0.016 19752 11252 1 16 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.086 0.392 19752 11253 1 16 . 1 1 107 107 VAL H H 107 8.668 8.668 8.260 0.408 19752 11254 1 16 . 1 1 108 108 TYR N N 108 119.055 119.055 124.780 -5.725 19752 11255 1 16 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.547 -0.054 19752 11256 1 16 . 1 1 108 108 TYR C C 108 175.215 175.215 175.151 0.064 19752 11257 1 16 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.278 0.294 19752 11258 1 16 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.638 0.797 19752 11259 1 16 . 1 1 108 108 TYR H H 108 8.944 8.944 9.058 -0.114 19752 11260 1 16 . 1 1 109 109 CYS N N 109 124.377 124.377 122.518 1.859 19752 11261 1 16 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.196 0.249 19752 11262 1 16 . 1 1 109 109 CYS C C 109 171.899 171.899 173.728 -1.829 19752 11263 1 16 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.341 -1.176 19752 11264 1 16 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.431 -1.629 19752 11265 1 16 . 1 1 109 109 CYS H H 109 9.675 9.675 8.767 0.908 19752 11266 1 16 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.363 0.816 19752 11267 1 16 . 1 1 110 110 PRO C C 110 175.490 175.490 177.306 -1.816 19752 11268 1 16 . 1 1 110 110 PRO CA C 110 62.598 62.598 64.124 -1.526 19752 11269 1 16 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.963 -1.507 19752 11270 1 16 . 1 1 111 111 VAL N N 111 109.293 109.293 110.831 -1.538 19752 11271 1 16 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.360 1.049 19752 11272 1 16 . 1 1 111 111 VAL C C 111 173.598 173.598 173.989 -0.391 19752 11273 1 16 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.861 -3.768 19752 11274 1 16 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.961 3.560 19752 11275 1 16 . 1 1 111 111 VAL H H 111 8.382 8.382 7.423 0.959 19752 11276 1 16 . 1 1 112 112 ARG N N 112 110.825 110.825 116.494 -5.669 19752 11277 1 16 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.695 -1.537 19752 11278 1 16 . 1 1 112 112 ARG C C 112 175.480 175.480 174.970 0.510 19752 11279 1 16 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.654 0.795 19752 11280 1 16 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.478 -1.332 19752 11281 1 16 . 1 1 112 112 ARG H H 112 6.735 6.735 7.959 -1.224 19752 11282 1 16 . 1 1 113 113 THR N N 113 111.002 111.002 120.035 -9.033 19752 11283 1 16 . 1 1 113 113 THR HA H 113 4.238 4.238 4.031 0.207 19752 11284 1 16 . 1 1 113 113 THR C C 113 174.123 174.123 173.501 0.622 19752 11285 1 16 . 1 1 113 113 THR CA C 113 62.468 62.468 64.617 -2.149 19752 11286 1 16 . 1 1 113 113 THR CB C 113 70.502 70.502 69.188 1.314 19752 11287 1 16 . 1 1 113 113 THR H H 113 8.898 8.898 8.118 0.780 19752 11288 1 16 . 1 1 114 114 CYS N N 114 119.522 119.522 124.789 -5.267 19752 11289 1 16 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.478 -0.963 19752 11290 1 16 . 1 1 114 114 CYS C C 114 172.669 172.669 173.076 -0.407 19752 11291 1 16 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.284 2.333 19752 11292 1 16 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.738 -2.193 19752 11293 1 16 . 1 1 114 114 CYS H H 114 7.936 7.936 8.124 -0.188 19752 11294 1 16 . 1 1 115 115 GLN N N 115 129.342 129.342 121.157 8.185 19752 11295 1 16 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.652 -0.024 19752 11296 1 16 . 1 1 115 115 GLN C C 115 175.456 175.456 174.722 0.734 19752 11297 1 16 . 1 1 115 115 GLN CA C 115 54.242 54.242 53.788 0.454 19752 11298 1 16 . 1 1 115 115 GLN CB C 115 31.176 31.176 32.388 -1.212 19752 11299 1 16 . 1 1 115 115 GLN H H 115 7.963 7.963 8.624 -0.661 19752 11300 1 16 . 1 1 116 116 GLY N N 116 112.311 112.311 109.608 2.703 19752 11301 1 16 . 1 1 116 116 GLY C C 116 171.907 171.907 172.003 -0.096 19752 11302 1 16 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.470 -1.253 19752 11303 1 16 . 1 1 116 116 GLY H H 116 8.591 8.591 8.025 0.566 19752 11304 1 16 . 1 1 117 117 VAL N N 117 110.113 110.113 119.318 -9.205 19752 11305 1 16 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.482 -0.344 19752 11306 1 16 . 1 1 117 117 VAL C C 117 171.857 171.857 173.656 -1.799 19752 11307 1 16 . 1 1 117 117 VAL CA C 117 57.957 57.957 59.260 -1.303 19752 11308 1 16 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.458 -1.909 19752 11309 1 16 . 1 1 117 117 VAL H H 117 7.745 7.745 7.763 -0.018 19752 11310 1 16 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.978 0.518 19752 11311 1 16 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.340 -0.850 19752 11312 1 16 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.827 -1.067 19752 11313 1 16 . 1 1 119 119 PRO HA H 119 4.376 4.376 3.834 0.542 19752 11314 1 16 . 1 1 119 119 PRO C C 119 176.006 176.006 175.293 0.713 19752 11315 1 16 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.306 1.850 19752 11316 1 16 . 1 1 119 119 PRO CB C 119 34.035 34.035 31.920 2.115 19752 11317 1 16 . 1 1 120 120 ASN N N 120 124.472 124.472 120.291 4.181 19752 11318 1 16 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.703 0.201 19752 11319 1 16 . 1 1 120 120 ASN C C 120 172.963 172.963 173.626 -0.663 19752 11320 1 16 . 1 1 120 120 ASN CA C 120 53.115 53.115 51.914 1.201 19752 11321 1 16 . 1 1 120 120 ASN CB C 120 39.227 39.227 39.323 -0.096 19752 11322 1 16 . 1 1 120 120 ASN H H 120 8.414 8.414 7.985 0.429 19752 11323 1 16 . 1 1 121 121 HIS N N 121 120.276 120.276 121.489 -1.213 19752 11324 1 16 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.987 -0.560 19752 11325 1 16 . 1 1 121 121 HIS C C 121 174.788 174.788 173.829 0.959 19752 11326 1 16 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.693 2.007 19752 11327 1 16 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.220 -0.512 19752 11328 1 16 . 1 1 121 121 HIS H H 121 8.591 8.591 8.075 0.516 19752 11329 1 16 . 1 1 122 122 ILE N N 122 120.474 120.474 123.811 -3.337 19752 11330 1 16 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.553 -0.208 19752 11331 1 16 . 1 1 122 122 ILE C C 122 174.718 174.718 174.018 0.700 19752 11332 1 16 . 1 1 122 122 ILE CA C 122 58.130 58.130 56.642 1.488 19752 11333 1 16 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.606 2.164 19752 11334 1 16 . 1 1 122 122 ILE H H 122 8.883 8.883 9.093 -0.210 19752 11335 1 16 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.943 -0.447 19752 11336 1 16 . 1 1 123 123 PRO C C 123 177.104 177.104 176.247 0.857 19752 11337 1 16 . 1 1 123 123 PRO CA C 123 62.607 62.607 62.005 0.601 19752 11338 1 16 . 1 1 123 123 PRO CB C 123 32.529 32.529 33.058 -0.529 19752 11339 1 16 . 1 1 124 124 GLY N N 124 111.030 111.030 109.430 1.600 19752 11340 1 16 . 1 1 124 124 GLY C C 124 173.906 173.906 173.240 0.666 19752 11341 1 16 . 1 1 124 124 GLY CA C 124 43.117 43.117 45.025 -1.908 19752 11342 1 16 . 1 1 124 124 GLY H H 124 8.553 8.553 8.474 0.079 19752 11343 1 16 . 1 1 125 125 VAL N N 125 121.916 121.916 122.641 -0.725 19752 11344 1 16 . 1 1 125 125 VAL HA H 125 3.920 3.920 4.021 -0.101 19752 11345 1 16 . 1 1 125 125 VAL C C 125 176.148 176.148 174.760 1.388 19752 11346 1 16 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.581 2.057 19752 11347 1 16 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.751 0.367 19752 11348 1 16 . 1 1 125 125 VAL H H 125 8.493 8.493 8.116 0.377 19752 11349 1 16 . 1 1 126 126 ALA N N 126 127.872 127.872 129.808 -1.936 19752 11350 1 16 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.482 0.008 19752 11351 1 16 . 1 1 126 126 ALA C C 126 179.447 179.447 177.039 2.408 19752 11352 1 16 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.810 1.859 19752 11353 1 16 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.922 -0.294 19752 11354 1 16 . 1 1 126 126 ALA H H 126 8.835 8.835 8.404 0.431 19752 11355 1 16 . 1 1 127 127 TRP N N 127 121.928 121.928 121.517 0.411 19752 11356 1 16 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.914 0.199 19752 11357 1 16 . 1 1 127 127 TRP C C 127 174.684 174.684 175.610 -0.926 19752 11358 1 16 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.256 -0.627 19752 11359 1 16 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.631 -2.477 19752 11360 1 16 . 1 1 127 127 TRP H H 127 8.555 8.555 8.873 -0.318 19752 11361 1 16 . 1 1 128 128 GLY N N 128 103.981 103.981 105.757 -1.776 19752 11362 1 16 . 1 1 128 128 GLY C C 128 171.694 171.694 172.339 -0.645 19752 11363 1 16 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.797 0.892 19752 11364 1 16 . 1 1 128 128 GLY H H 128 7.280 7.280 7.662 -0.382 19752 11365 1 16 . 1 1 129 129 VAL N N 129 119.078 119.078 120.664 -1.586 19752 11366 1 16 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.446 -0.103 19752 11367 1 16 . 1 1 129 129 VAL C C 129 173.255 173.255 174.959 -1.704 19752 11368 1 16 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.072 -0.411 19752 11369 1 16 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.143 1.408 19752 11370 1 16 . 1 1 129 129 VAL H H 129 8.274 8.274 8.382 -0.108 19752 11371 1 16 . 1 1 130 130 PHE N N 130 122.633 122.633 126.464 -3.831 19752 11372 1 16 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.310 0.234 19752 11373 1 16 . 1 1 130 130 PHE C C 130 175.771 175.771 175.776 -0.005 19752 11374 1 16 . 1 1 130 130 PHE CA C 130 57.176 57.176 58.121 -0.945 19752 11375 1 16 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.596 0.074 19752 11376 1 16 . 1 1 130 130 PHE H H 130 8.464 8.464 8.874 -0.410 19752 11377 1 17 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.590 0.176 19752 11378 1 17 . 1 1 2 2 ASN C C 2 174.930 174.930 174.923 0.007 19752 11379 1 17 . 1 1 2 2 ASN CA C 2 53.209 53.209 54.321 -1.111 19752 11380 1 17 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.941 0.272 19752 11381 1 17 . 1 1 3 3 ALA N N 3 124.643 124.643 123.235 1.408 19752 11382 1 17 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.420 -0.156 19752 11383 1 17 . 1 1 3 3 ALA C C 3 177.790 177.790 176.710 1.080 19752 11384 1 17 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.582 1.255 19752 11385 1 17 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.640 -0.400 19752 11386 1 17 . 1 1 3 3 ALA H H 3 8.386 8.386 7.728 0.658 19752 11387 1 17 . 1 1 4 4 LYS N N 4 120.203 120.203 120.791 -0.588 19752 11388 1 17 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.143 0.080 19752 11389 1 17 . 1 1 4 4 LYS C C 4 176.230 176.230 174.615 1.615 19752 11390 1 17 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.877 -0.343 19752 11391 1 17 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.247 0.564 19752 11392 1 17 . 1 1 4 4 LYS H H 4 8.300 8.300 8.607 -0.307 19752 11393 1 17 . 1 1 5 5 ASN N N 5 119.229 119.229 115.446 3.783 19752 11394 1 17 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.679 -0.011 19752 11395 1 17 . 1 1 5 5 ASN C C 5 175.033 175.033 173.893 1.140 19752 11396 1 17 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.113 0.012 19752 11397 1 17 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.437 -0.660 19752 11398 1 17 . 1 1 5 5 ASN H H 5 8.320 8.320 8.676 -0.356 19752 11399 1 17 . 1 1 6 6 TYR N N 6 120.593 120.593 120.621 -0.028 19752 11400 1 17 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.626 -0.116 19752 11401 1 17 . 1 1 6 6 TYR C C 6 175.554 175.554 174.249 1.305 19752 11402 1 17 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.843 0.370 19752 11403 1 17 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.936 -1.335 19752 11404 1 17 . 1 1 6 6 TYR H H 6 8.087 8.087 7.632 0.455 19752 11405 1 17 . 1 1 7 7 MET N N 7 121.477 121.477 127.684 -6.207 19752 11406 1 17 . 1 1 7 7 MET HA H 7 4.391 4.391 4.683 -0.292 19752 11407 1 17 . 1 1 7 7 MET C C 7 175.609 175.609 175.806 -0.197 19752 11408 1 17 . 1 1 7 7 MET CA C 7 55.494 55.494 54.401 1.093 19752 11409 1 17 . 1 1 7 7 MET CB C 7 32.970 32.970 34.772 -1.802 19752 11410 1 17 . 1 1 7 7 MET H H 7 8.121 8.121 8.235 -0.114 19752 11411 1 17 . 1 1 8 8 ASP N N 8 121.704 121.704 124.292 -2.588 19752 11412 1 17 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.334 0.221 19752 11413 1 17 . 1 1 8 8 ASP C C 8 176.344 176.344 176.588 -0.244 19752 11414 1 17 . 1 1 8 8 ASP CA C 8 54.471 54.471 55.800 -1.329 19752 11415 1 17 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.011 0.311 19752 11416 1 17 . 1 1 8 8 ASP H H 8 8.189 8.189 8.631 -0.442 19752 11417 1 17 . 1 1 9 9 LYS N N 9 122.168 122.168 120.500 1.668 19752 11418 1 17 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.321 -0.014 19752 11419 1 17 . 1 1 9 9 LYS C C 9 177.267 177.267 176.033 1.234 19752 11420 1 17 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.075 0.547 19752 11421 1 17 . 1 1 9 9 LYS CB C 9 32.765 32.765 31.947 0.818 19752 11422 1 17 . 1 1 9 9 LYS H H 9 8.335 8.335 7.896 0.439 19752 11423 1 17 . 1 1 10 10 GLY N N 10 109.505 109.505 111.728 -2.223 19752 11424 1 17 . 1 1 10 10 GLY C C 10 174.568 174.568 173.544 1.024 19752 11425 1 17 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.372 0.211 19752 11426 1 17 . 1 1 10 10 GLY H H 10 8.497 8.497 8.345 0.152 19752 11427 1 17 . 1 1 11 11 THR N N 11 113.312 113.312 115.780 -2.468 19752 11428 1 17 . 1 1 11 11 THR HA H 11 4.396 4.396 4.416 -0.020 19752 11429 1 17 . 1 1 11 11 THR C C 11 174.719 174.719 174.235 0.484 19752 11430 1 17 . 1 1 11 11 THR CA C 11 61.779 61.779 61.669 0.110 19752 11431 1 17 . 1 1 11 11 THR CB C 11 69.963 69.963 70.270 -0.307 19752 11432 1 17 . 1 1 11 11 THR H H 11 8.081 8.081 7.731 0.350 19752 11433 1 17 . 1 1 12 12 SER N N 12 118.272 118.272 124.175 -5.903 19752 11434 1 17 . 1 1 12 12 SER HA H 12 4.499 4.499 4.452 0.047 19752 11435 1 17 . 1 1 12 12 SER C C 12 174.766 174.766 174.197 0.569 19752 11436 1 17 . 1 1 12 12 SER CA C 12 58.432 58.432 58.739 -0.307 19752 11437 1 17 . 1 1 12 12 SER CB C 12 63.986 63.986 63.482 0.504 19752 11438 1 17 . 1 1 12 12 SER H H 12 8.413 8.413 8.581 -0.168 19752 11439 1 17 . 1 1 13 13 SER N N 13 118.106 118.106 122.717 -4.611 19752 11440 1 17 . 1 1 13 13 SER HA H 13 4.518 4.518 4.385 0.133 19752 11441 1 17 . 1 1 13 13 SER C C 13 174.674 174.674 174.912 -0.238 19752 11442 1 17 . 1 1 13 13 SER CA C 13 58.607 58.607 59.372 -0.765 19752 11443 1 17 . 1 1 13 13 SER CB C 13 63.869 63.869 62.653 1.216 19752 11444 1 17 . 1 1 13 13 SER H H 13 8.414 8.414 8.536 -0.122 19752 11445 1 17 . 1 1 14 14 SER N N 14 117.724 117.724 119.520 -1.796 19752 11446 1 17 . 1 1 14 14 SER HA H 14 4.535 4.535 4.151 0.384 19752 11447 1 17 . 1 1 14 14 SER C C 14 174.743 174.743 173.903 0.840 19752 11448 1 17 . 1 1 14 14 SER CA C 14 58.630 58.630 60.801 -2.171 19752 11449 1 17 . 1 1 14 14 SER CB C 14 63.798 63.798 62.458 1.340 19752 11450 1 17 . 1 1 14 14 SER H H 14 8.379 8.379 8.854 -0.475 19752 11451 1 17 . 1 1 15 15 THR N N 15 116.549 116.549 117.250 -0.701 19752 11452 1 17 . 1 1 15 15 THR HA H 15 4.336 4.336 4.253 0.083 19752 11453 1 17 . 1 1 15 15 THR C C 15 174.310 174.310 174.727 -0.417 19752 11454 1 17 . 1 1 15 15 THR CA C 15 62.161 62.161 63.588 -1.427 19752 11455 1 17 . 1 1 15 15 THR CB C 15 69.603 69.603 68.784 0.819 19752 11456 1 17 . 1 1 15 15 THR H H 15 8.195 8.195 7.427 0.768 19752 11457 1 17 . 1 1 16 16 VAL N N 16 123.406 123.406 123.174 0.232 19752 11458 1 17 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.411 -0.309 19752 11459 1 17 . 1 1 16 16 VAL C C 16 175.934 175.934 175.115 0.819 19752 11460 1 17 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.514 -0.002 19752 11461 1 17 . 1 1 16 16 VAL CB C 16 32.738 32.738 33.020 -0.283 19752 11462 1 17 . 1 1 16 16 VAL H H 16 8.121 8.121 8.670 -0.549 19752 11463 1 17 . 1 1 17 17 VAL N N 17 125.445 125.445 118.286 7.159 19752 11464 1 17 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.538 -0.453 19752 11465 1 17 . 1 1 17 17 VAL C C 17 176.102 176.102 174.626 1.476 19752 11466 1 17 . 1 1 17 17 VAL CA C 17 62.279 62.279 60.751 1.528 19752 11467 1 17 . 1 1 17 17 VAL CB C 17 32.677 32.677 34.069 -1.392 19752 11468 1 17 . 1 1 17 17 VAL H H 17 8.293 8.293 7.638 0.655 19752 11469 1 17 . 1 1 18 18 LYS N N 18 126.281 126.281 123.701 2.580 19752 11470 1 17 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.534 -0.192 19752 11471 1 17 . 1 1 18 18 LYS C C 18 176.138 176.138 175.752 0.386 19752 11472 1 17 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.866 0.339 19752 11473 1 17 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.787 1.359 19752 11474 1 17 . 1 1 18 18 LYS H H 18 8.478 8.478 8.466 0.012 19752 11475 1 17 . 1 1 19 19 ASP N N 19 121.904 121.904 122.644 -0.740 19752 11476 1 17 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.509 0.055 19752 11477 1 17 . 1 1 19 19 ASP C C 19 176.698 176.698 176.319 0.379 19752 11478 1 17 . 1 1 19 19 ASP CA C 19 54.385 54.385 55.017 -0.632 19752 11479 1 17 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.326 -0.103 19752 11480 1 17 . 1 1 19 19 ASP H H 19 8.379 8.379 8.216 0.163 19752 11481 1 17 . 1 1 20 20 GLY N N 20 109.177 109.177 107.092 2.085 19752 11482 1 17 . 1 1 20 20 GLY C C 20 174.374 174.374 173.917 0.457 19752 11483 1 17 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.372 1.266 19752 11484 1 17 . 1 1 20 20 GLY H H 20 8.390 8.390 8.038 0.352 19752 11485 1 17 . 1 1 21 21 LYS N N 21 120.814 120.814 122.766 -1.952 19752 11486 1 17 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.022 0.367 19752 11487 1 17 . 1 1 21 21 LYS C C 21 177.041 177.041 175.577 1.464 19752 11488 1 17 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.868 -0.292 19752 11489 1 17 . 1 1 21 21 LYS CB C 21 33.090 33.090 31.966 1.124 19752 11490 1 17 . 1 1 21 21 LYS H H 21 8.229 8.229 8.720 -0.491 19752 11491 1 17 . 1 1 22 22 THR N N 22 115.105 115.105 114.402 0.703 19752 11492 1 17 . 1 1 22 22 THR HA H 22 4.393 4.393 4.513 -0.120 19752 11493 1 17 . 1 1 22 22 THR C C 22 174.607 174.607 175.152 -0.545 19752 11494 1 17 . 1 1 22 22 THR CA C 22 61.880 61.880 61.807 0.073 19752 11495 1 17 . 1 1 22 22 THR CB C 22 69.736 69.736 69.668 0.068 19752 11496 1 17 . 1 1 22 22 THR H H 22 8.237 8.237 8.263 -0.026 19752 11497 1 17 . 1 1 24 24 SER HA H 24 4.486 4.486 4.655 -0.169 19752 11498 1 17 . 1 1 24 24 SER C C 24 174.299 174.299 173.307 0.992 19752 11499 1 17 . 1 1 24 24 SER CA C 24 58.547 58.547 58.407 0.140 19752 11500 1 17 . 1 1 24 24 SER CB C 24 63.787 63.787 66.081 -2.294 19752 11501 1 17 . 1 1 25 25 ALA N N 25 125.891 125.891 123.290 2.601 19752 11502 1 17 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.575 -0.199 19752 11503 1 17 . 1 1 25 25 ALA C C 25 177.660 177.660 176.067 1.593 19752 11504 1 17 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.836 0.793 19752 11505 1 17 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.781 0.510 19752 11506 1 17 . 1 1 25 25 ALA H H 25 8.328 8.328 7.551 0.777 19752 11507 1 17 . 1 1 26 26 SER N N 26 115.155 115.155 113.713 1.442 19752 11508 1 17 . 1 1 26 26 SER HA H 26 4.486 4.486 4.423 0.063 19752 11509 1 17 . 1 1 26 26 SER C C 26 174.291 174.291 174.628 -0.337 19752 11510 1 17 . 1 1 26 26 SER CA C 26 58.237 58.237 59.964 -1.727 19752 11511 1 17 . 1 1 26 26 SER CB C 26 63.917 63.917 63.342 0.576 19752 11512 1 17 . 1 1 26 26 SER H H 26 8.267 8.267 8.552 -0.285 19752 11513 1 17 . 1 1 27 27 THR N N 27 118.324 118.324 118.538 -0.214 19752 11514 1 17 . 1 1 27 27 THR HA H 27 4.627 4.627 4.770 -0.143 19752 11515 1 17 . 1 1 27 27 THR C C 27 172.782 172.782 173.245 -0.463 19752 11516 1 17 . 1 1 27 27 THR CA C 27 59.748 59.748 59.846 -0.098 19752 11517 1 17 . 1 1 27 27 THR CB C 27 69.702 69.702 69.851 -0.149 19752 11518 1 17 . 1 1 27 27 THR H H 27 8.164 8.164 7.600 0.564 19752 11519 1 17 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.517 -0.114 19752 11520 1 17 . 1 1 28 28 PRO C C 28 176.630 176.630 176.441 0.189 19752 11521 1 17 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.959 0.291 19752 11522 1 17 . 1 1 28 28 PRO CB C 28 32.165 32.165 32.670 -0.505 19752 11523 1 17 . 1 1 29 29 ALA N N 29 124.263 124.263 120.297 3.966 19752 11524 1 17 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.072 0.277 19752 11525 1 17 . 1 1 29 29 ALA C C 29 177.974 177.974 176.529 1.445 19752 11526 1 17 . 1 1 29 29 ALA CA C 29 52.655 52.655 52.750 -0.095 19752 11527 1 17 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.748 1.529 19752 11528 1 17 . 1 1 29 29 ALA H H 29 8.432 8.432 8.205 0.227 19752 11529 1 17 . 1 1 30 30 THR N N 30 113.368 113.368 109.426 3.942 19752 11530 1 17 . 1 1 30 30 THR HA H 30 4.281 4.281 3.942 0.339 19752 11531 1 17 . 1 1 30 30 THR C C 30 174.257 174.257 174.062 0.195 19752 11532 1 17 . 1 1 30 30 THR CA C 30 61.656 61.656 63.520 -1.864 19752 11533 1 17 . 1 1 30 30 THR CB C 30 69.801 69.801 67.715 2.087 19752 11534 1 17 . 1 1 30 30 THR H H 30 8.106 8.106 8.150 -0.044 19752 11535 1 17 . 1 1 31 31 ARG N N 31 124.700 124.700 125.438 -0.738 19752 11536 1 17 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.622 0.028 19752 11537 1 17 . 1 1 31 31 ARG C C 31 174.094 174.094 175.278 -1.184 19752 11538 1 17 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.481 -2.430 19752 11539 1 17 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.310 1.064 19752 11540 1 17 . 1 1 31 31 ARG H H 31 8.318 8.318 8.343 -0.025 19752 11541 1 17 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.345 0.154 19752 11542 1 17 . 1 1 32 32 PRO C C 32 177.065 177.065 176.559 0.506 19752 11543 1 17 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.671 -0.611 19752 11544 1 17 . 1 1 32 32 PRO CB C 32 32.157 32.157 32.063 0.094 19752 11545 1 17 . 1 1 33 33 VAL N N 33 120.890 120.890 118.338 2.552 19752 11546 1 17 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.930 0.278 19752 11547 1 17 . 1 1 33 33 VAL C C 33 176.668 176.668 175.411 1.257 19752 11548 1 17 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.663 -0.054 19752 11549 1 17 . 1 1 33 33 VAL CB C 33 32.747 32.747 30.559 2.188 19752 11550 1 17 . 1 1 33 33 VAL H H 33 8.447 8.447 7.932 0.515 19752 11551 1 17 . 1 1 34 34 THR N N 34 116.709 116.709 113.813 2.896 19752 11552 1 17 . 1 1 34 34 THR HA H 34 4.377 4.377 4.666 -0.289 19752 11553 1 17 . 1 1 34 34 THR C C 34 174.791 174.791 174.747 0.044 19752 11554 1 17 . 1 1 34 34 THR CA C 34 61.700 61.700 61.234 0.466 19752 11555 1 17 . 1 1 34 34 THR CB C 34 69.697 69.697 68.216 1.481 19752 11556 1 17 . 1 1 34 34 THR H H 34 8.221 8.221 8.194 0.027 19752 11557 1 17 . 1 1 35 35 GLY N N 35 111.182 111.182 112.689 -1.507 19752 11558 1 17 . 1 1 35 35 GLY C C 35 173.940 173.940 175.548 -1.608 19752 11559 1 17 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.014 -0.358 19752 11560 1 17 . 1 1 35 35 GLY H H 35 8.376 8.376 8.335 0.041 19752 11561 1 17 . 1 1 36 36 SER N N 36 116.779 116.779 115.194 1.585 19752 11562 1 17 . 1 1 36 36 SER HA H 36 4.456 4.456 4.412 0.044 19752 11563 1 17 . 1 1 36 36 SER C C 36 173.880 173.880 173.931 -0.051 19752 11564 1 17 . 1 1 36 36 SER CA C 36 58.255 58.255 58.867 -0.612 19752 11565 1 17 . 1 1 36 36 SER CB C 36 64.195 64.195 63.753 0.442 19752 11566 1 17 . 1 1 36 36 SER H H 36 8.456 8.456 8.463 -0.007 19752 11567 1 17 . 1 1 37 37 TRP N N 37 121.744 121.744 121.279 0.465 19752 11568 1 17 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.870 -0.342 19752 11569 1 17 . 1 1 37 37 TRP C C 37 176.500 176.500 175.589 0.911 19752 11570 1 17 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.486 0.604 19752 11571 1 17 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.236 0.771 19752 11572 1 17 . 1 1 37 37 TRP H H 37 8.171 8.171 7.663 0.508 19752 11573 1 17 . 1 1 38 38 LYS N N 38 123.158 123.158 123.472 -0.314 19752 11574 1 17 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.813 -0.187 19752 11575 1 17 . 1 1 38 38 LYS C C 38 172.839 172.839 174.611 -1.772 19752 11576 1 17 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.353 1.803 19752 11577 1 17 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.343 0.313 19752 11578 1 17 . 1 1 38 38 LYS H H 38 8.736 8.736 9.062 -0.326 19752 11579 1 17 . 1 1 39 39 LYS N N 39 121.526 121.526 125.055 -3.529 19752 11580 1 17 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.011 0.729 19752 11581 1 17 . 1 1 39 39 LYS C C 39 177.510 177.510 175.721 1.789 19752 11582 1 17 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.663 -1.347 19752 11583 1 17 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.008 0.349 19752 11584 1 17 . 1 1 39 39 LYS H H 39 8.123 8.123 8.293 -0.170 19752 11585 1 17 . 1 1 40 40 ASN N N 40 123.988 123.988 123.487 0.501 19752 11586 1 17 . 1 1 40 40 ASN HA H 40 5.056 5.056 5.111 -0.055 19752 11587 1 17 . 1 1 40 40 ASN C C 40 177.524 177.524 175.634 1.890 19752 11588 1 17 . 1 1 40 40 ASN CA C 40 50.840 50.840 51.778 -0.938 19752 11589 1 17 . 1 1 40 40 ASN CB C 40 39.156 39.156 41.410 -2.254 19752 11590 1 17 . 1 1 40 40 ASN H H 40 8.583 8.583 8.847 -0.264 19752 11591 1 17 . 1 1 41 41 GLN N N 41 116.529 116.529 123.196 -6.667 19752 11592 1 17 . 1 1 41 41 GLN HA H 41 4.060 4.060 3.949 0.111 19752 11593 1 17 . 1 1 41 41 GLN C C 41 175.829 175.829 176.041 -0.212 19752 11594 1 17 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.266 -0.505 19752 11595 1 17 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.218 -0.271 19752 11596 1 17 . 1 1 41 41 GLN H H 41 8.856 8.856 8.833 0.023 19752 11597 1 17 . 1 1 42 42 TYR N N 42 119.255 119.255 115.950 3.305 19752 11598 1 17 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.418 0.233 19752 11599 1 17 . 1 1 42 42 TYR C C 42 175.782 175.782 176.275 -0.493 19752 11600 1 17 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.367 -1.247 19752 11601 1 17 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.380 -0.262 19752 11602 1 17 . 1 1 42 42 TYR H H 42 7.604 7.604 7.441 0.163 19752 11603 1 17 . 1 1 43 43 GLY N N 43 106.354 106.354 105.720 0.634 19752 11604 1 17 . 1 1 43 43 GLY C C 43 173.297 173.297 174.395 -1.098 19752 11605 1 17 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.055 0.108 19752 11606 1 17 . 1 1 43 43 GLY H H 43 7.993 7.993 7.911 0.082 19752 11607 1 17 . 1 1 44 44 THR N N 44 120.062 120.062 117.800 2.262 19752 11608 1 17 . 1 1 44 44 THR HA H 44 4.176 4.176 4.634 -0.458 19752 11609 1 17 . 1 1 44 44 THR C C 44 173.969 173.969 174.187 -0.218 19752 11610 1 17 . 1 1 44 44 THR CA C 44 62.132 62.132 64.178 -2.046 19752 11611 1 17 . 1 1 44 44 THR CB C 44 68.989 68.989 69.536 -0.547 19752 11612 1 17 . 1 1 44 44 THR H H 44 7.781 7.781 7.564 0.217 19752 11613 1 17 . 1 1 45 45 TRP N N 45 129.666 129.666 124.611 5.055 19752 11614 1 17 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.259 0.417 19752 11615 1 17 . 1 1 45 45 TRP C C 45 175.999 175.999 175.735 0.264 19752 11616 1 17 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.591 0.015 19752 11617 1 17 . 1 1 45 45 TRP CB C 45 30.641 30.641 31.947 -1.306 19752 11618 1 17 . 1 1 45 45 TRP H H 45 8.041 8.041 8.842 -0.801 19752 11619 1 17 . 1 1 46 46 TYR N N 46 122.938 122.938 116.977 5.961 19752 11620 1 17 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.169 0.169 19752 11621 1 17 . 1 1 46 46 TYR C C 46 173.663 173.663 173.542 0.121 19752 11622 1 17 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.585 0.722 19752 11623 1 17 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.492 1.633 19752 11624 1 17 . 1 1 46 46 TYR H H 46 10.329 10.329 9.504 0.825 19752 11625 1 17 . 1 1 47 47 LYS N N 47 118.986 118.986 118.150 0.836 19752 11626 1 17 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.087 -0.316 19752 11627 1 17 . 1 1 47 47 LYS C C 47 172.462 172.462 173.934 -1.472 19752 11628 1 17 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.694 1.018 19752 11629 1 17 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.378 -0.260 19752 11630 1 17 . 1 1 47 47 LYS H H 47 8.923 8.923 9.210 -0.287 19752 11631 1 17 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.831 -0.029 19752 11632 1 17 . 1 1 48 48 PRO C C 48 176.747 176.747 176.066 0.681 19752 11633 1 17 . 1 1 48 48 PRO CA C 48 62.665 62.665 63.112 -0.447 19752 11634 1 17 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.597 0.442 19752 11635 1 17 . 1 1 49 49 GLU N N 49 125.285 125.285 124.492 0.793 19752 11636 1 17 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.405 -0.417 19752 11637 1 17 . 1 1 49 49 GLU C C 49 170.927 170.927 174.416 -3.489 19752 11638 1 17 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.727 2.143 19752 11639 1 17 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.643 0.587 19752 11640 1 17 . 1 1 49 49 GLU H H 49 7.771 7.771 8.565 -0.794 19752 11641 1 17 . 1 1 50 50 ASN N N 50 122.328 122.328 122.463 -0.135 19752 11642 1 17 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.295 0.103 19752 11643 1 17 . 1 1 50 50 ASN C C 50 173.648 173.648 174.337 -0.689 19752 11644 1 17 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.871 -1.185 19752 11645 1 17 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.684 -0.038 19752 11646 1 17 . 1 1 50 50 ASN H H 50 8.148 8.148 8.615 -0.467 19752 11647 1 17 . 1 1 51 51 ALA N N 51 126.527 126.527 125.223 1.304 19752 11648 1 17 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.440 0.013 19752 11649 1 17 . 1 1 51 51 ALA C C 51 172.872 172.872 174.711 -1.839 19752 11650 1 17 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.481 0.116 19752 11651 1 17 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.359 -2.689 19752 11652 1 17 . 1 1 51 51 ALA H H 51 7.085 7.085 7.667 -0.582 19752 11653 1 17 . 1 1 52 52 THR N N 52 112.831 112.831 116.400 -3.569 19752 11654 1 17 . 1 1 52 52 THR HA H 52 5.167 5.167 4.952 0.215 19752 11655 1 17 . 1 1 52 52 THR C C 52 172.852 172.852 173.174 -0.322 19752 11656 1 17 . 1 1 52 52 THR CA C 52 62.232 62.232 62.140 0.092 19752 11657 1 17 . 1 1 52 52 THR CB C 52 71.068 71.068 70.025 1.043 19752 11658 1 17 . 1 1 52 52 THR H H 52 8.036 8.036 8.848 -0.812 19752 11659 1 17 . 1 1 53 53 PHE N N 53 127.883 127.883 128.895 -1.012 19752 11660 1 17 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.365 -0.042 19752 11661 1 17 . 1 1 53 53 PHE C C 53 172.928 172.928 173.262 -0.334 19752 11662 1 17 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.560 -0.285 19752 11663 1 17 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.195 1.010 19752 11664 1 17 . 1 1 53 53 PHE H H 53 9.714 9.714 9.500 0.214 19752 11665 1 17 . 1 1 54 54 VAL N N 54 127.284 127.284 128.245 -0.961 19752 11666 1 17 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.510 -0.190 19752 11667 1 17 . 1 1 54 54 VAL C C 54 175.842 175.842 174.541 1.301 19752 11668 1 17 . 1 1 54 54 VAL CA C 54 60.152 60.152 59.812 0.340 19752 11669 1 17 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.209 -0.471 19752 11670 1 17 . 1 1 54 54 VAL H H 54 8.583 8.583 8.837 -0.254 19752 11671 1 17 . 1 1 55 55 ASN N N 55 125.723 125.723 126.010 -0.287 19752 11672 1 17 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.209 -0.049 19752 11673 1 17 . 1 1 55 55 ASN C C 55 176.333 176.333 175.077 1.256 19752 11674 1 17 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.045 0.544 19752 11675 1 17 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.139 -0.494 19752 11676 1 17 . 1 1 55 55 ASN H H 55 8.970 8.970 8.813 0.157 19752 11677 1 17 . 1 1 56 56 GLY N N 56 114.389 114.389 114.460 -0.071 19752 11678 1 17 . 1 1 56 56 GLY C C 56 173.882 173.882 173.426 0.456 19752 11679 1 17 . 1 1 56 56 GLY CA C 56 44.676 44.676 44.764 -0.088 19752 11680 1 17 . 1 1 56 56 GLY H H 56 8.360 8.360 8.514 -0.154 19752 11681 1 17 . 1 1 57 57 ASN N N 57 115.511 115.511 118.557 -3.046 19752 11682 1 17 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.978 -0.467 19752 11683 1 17 . 1 1 57 57 ASN C C 57 174.741 174.741 173.727 1.014 19752 11684 1 17 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.666 0.547 19752 11685 1 17 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.901 -2.272 19752 11686 1 17 . 1 1 57 57 ASN H H 57 8.149 8.149 8.762 -0.613 19752 11687 1 17 . 1 1 58 58 GLN N N 58 118.128 118.128 118.923 -0.795 19752 11688 1 17 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.769 0.191 19752 11689 1 17 . 1 1 58 58 GLN C C 58 172.603 172.603 173.053 -0.450 19752 11690 1 17 . 1 1 58 58 GLN CA C 58 52.633 52.633 53.346 -0.714 19752 11691 1 17 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.364 1.204 19752 11692 1 17 . 1 1 58 58 GLN H H 58 7.702 7.702 7.813 -0.111 19752 11693 1 17 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.592 0.348 19752 11694 1 17 . 1 1 59 59 PRO C C 59 176.506 176.506 176.166 0.340 19752 11695 1 17 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.847 -0.591 19752 11696 1 17 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.133 0.527 19752 11697 1 17 . 1 1 60 60 ILE N N 60 120.974 120.974 124.023 -3.049 19752 11698 1 17 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.144 0.130 19752 11699 1 17 . 1 1 60 60 ILE C C 60 175.190 175.190 175.455 -0.265 19752 11700 1 17 . 1 1 60 60 ILE CA C 60 60.687 60.687 58.780 1.907 19752 11701 1 17 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.172 2.573 19752 11702 1 17 . 1 1 60 60 ILE H H 60 8.126 8.126 8.800 -0.674 19752 11703 1 17 . 1 1 61 61 VAL N N 61 128.224 128.224 128.165 0.059 19752 11704 1 17 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.640 -0.527 19752 11705 1 17 . 1 1 61 61 VAL C C 61 175.973 175.973 175.688 0.285 19752 11706 1 17 . 1 1 61 61 VAL CA C 61 64.276 64.276 60.474 3.802 19752 11707 1 17 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.504 -0.574 19752 11708 1 17 . 1 1 61 61 VAL H H 61 8.421 8.421 8.497 -0.076 19752 11709 1 17 . 1 1 62 62 THR N N 62 118.454 118.454 123.075 -4.621 19752 11710 1 17 . 1 1 62 62 THR HA H 62 5.021 5.021 4.865 0.156 19752 11711 1 17 . 1 1 62 62 THR C C 62 174.936 174.936 174.192 0.744 19752 11712 1 17 . 1 1 62 62 THR CA C 62 61.286 61.286 60.616 0.670 19752 11713 1 17 . 1 1 62 62 THR CB C 62 71.133 71.133 70.857 0.276 19752 11714 1 17 . 1 1 62 62 THR H H 62 7.989 7.989 9.071 -1.082 19752 11715 1 17 . 1 1 63 63 ARG N N 63 118.225 118.225 120.625 -2.400 19752 11716 1 17 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.406 0.023 19752 11717 1 17 . 1 1 63 63 ARG C C 63 175.607 175.607 175.419 0.188 19752 11718 1 17 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.267 -0.620 19752 11719 1 17 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.599 1.004 19752 11720 1 17 . 1 1 63 63 ARG H H 63 9.336 9.336 9.002 0.334 19752 11721 1 17 . 1 1 64 64 ILE N N 64 119.746 119.746 122.026 -2.280 19752 11722 1 17 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.337 0.128 19752 11723 1 17 . 1 1 64 64 ILE C C 64 179.206 179.206 177.506 1.700 19752 11724 1 17 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.544 -0.355 19752 11725 1 17 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.151 0.097 19752 11726 1 17 . 1 1 64 64 ILE H H 64 8.741 8.741 7.996 0.745 19752 11727 1 17 . 1 1 65 65 GLY N N 65 116.059 116.059 116.959 -0.900 19752 11728 1 17 . 1 1 65 65 GLY C C 65 174.185 174.185 173.374 0.811 19752 11729 1 17 . 1 1 65 65 GLY CA C 65 47.671 47.671 45.949 1.722 19752 11730 1 17 . 1 1 65 65 GLY H H 65 9.316 9.316 9.276 0.040 19752 11731 1 17 . 1 1 66 66 SER N N 66 114.840 114.840 114.697 0.143 19752 11732 1 17 . 1 1 66 66 SER HA H 66 4.160 4.160 4.057 0.103 19752 11733 1 17 . 1 1 66 66 SER C C 66 170.281 170.281 171.367 -1.086 19752 11734 1 17 . 1 1 66 66 SER CA C 66 56.207 56.207 55.686 0.521 19752 11735 1 17 . 1 1 66 66 SER CB C 66 63.737 63.737 65.672 -1.935 19752 11736 1 17 . 1 1 66 66 SER H H 66 7.412 7.412 7.620 -0.208 19752 11737 1 17 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.729 -1.090 19752 11738 1 17 . 1 1 67 67 PRO C C 67 170.030 170.030 174.056 -4.026 19752 11739 1 17 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.364 -1.694 19752 11740 1 17 . 1 1 67 67 PRO CB C 67 25.910 25.910 30.992 -5.082 19752 11741 1 17 . 1 1 68 68 PHE N N 68 111.778 111.778 118.519 -6.741 19752 11742 1 17 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.379 0.114 19752 11743 1 17 . 1 1 68 68 PHE C C 68 177.055 177.055 174.902 2.153 19752 11744 1 17 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.776 -1.148 19752 11745 1 17 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.333 2.025 19752 11746 1 17 . 1 1 68 68 PHE H H 68 6.610 6.610 6.931 -0.321 19752 11747 1 17 . 1 1 69 69 LEU N N 69 119.491 119.491 121.527 -2.036 19752 11748 1 17 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.575 -0.262 19752 11749 1 17 . 1 1 69 69 LEU C C 69 176.326 176.326 177.517 -1.191 19752 11750 1 17 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.803 -0.572 19752 11751 1 17 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.899 -1.029 19752 11752 1 17 . 1 1 69 69 LEU H H 69 8.388 8.388 8.488 -0.100 19752 11753 1 17 . 1 1 70 70 ASN N N 70 112.229 112.229 117.172 -4.943 19752 11754 1 17 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.752 0.090 19752 11755 1 17 . 1 1 70 70 ASN C C 70 175.620 175.620 174.266 1.354 19752 11756 1 17 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.719 -1.051 19752 11757 1 17 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.909 -0.256 19752 11758 1 17 . 1 1 70 70 ASN H H 70 7.675 7.675 8.394 -0.719 19752 11759 1 17 . 1 1 71 71 ALA N N 71 123.955 123.955 123.859 0.096 19752 11760 1 17 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.645 -0.086 19752 11761 1 17 . 1 1 71 71 ALA C C 71 174.274 174.274 175.582 -1.308 19752 11762 1 17 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.110 1.360 19752 11763 1 17 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.576 -0.734 19752 11764 1 17 . 1 1 71 71 ALA H H 71 7.152 7.152 7.427 -0.275 19752 11765 1 17 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.401 0.012 19752 11766 1 17 . 1 1 72 72 PRO C C 72 176.342 176.342 175.979 0.363 19752 11767 1 17 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.168 -0.049 19752 11768 1 17 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.829 0.327 19752 11769 1 17 . 1 1 73 73 VAL N N 73 121.078 121.078 116.972 4.106 19752 11770 1 17 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.501 -0.217 19752 11771 1 17 . 1 1 73 73 VAL C C 73 177.864 177.864 177.428 0.436 19752 11772 1 17 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.332 3.945 19752 11773 1 17 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.655 -0.931 19752 11774 1 17 . 1 1 73 73 VAL H H 73 8.328 8.328 8.149 0.179 19752 11775 1 17 . 1 1 74 74 GLY N N 74 114.118 114.118 108.950 5.168 19752 11776 1 17 . 1 1 74 74 GLY C C 74 173.963 173.963 173.738 0.225 19752 11777 1 17 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.885 -0.100 19752 11778 1 17 . 1 1 74 74 GLY H H 74 8.781 8.781 8.793 -0.012 19752 11779 1 17 . 1 1 75 75 GLY N N 75 107.324 107.324 108.683 -1.359 19752 11780 1 17 . 1 1 75 75 GLY C C 75 173.460 173.460 172.420 1.040 19752 11781 1 17 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.956 -1.208 19752 11782 1 17 . 1 1 75 75 GLY H H 75 7.278 7.278 7.972 -0.694 19752 11783 1 17 . 1 1 76 76 ASN N N 76 119.682 119.682 124.011 -4.329 19752 11784 1 17 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.501 -0.079 19752 11785 1 17 . 1 1 76 76 ASN C C 76 175.760 175.760 174.089 1.671 19752 11786 1 17 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.294 -0.017 19752 11787 1 17 . 1 1 76 76 ASN CB C 76 39.213 39.213 40.827 -1.614 19752 11788 1 17 . 1 1 76 76 ASN H H 76 8.797 8.797 8.545 0.252 19752 11789 1 17 . 1 1 77 77 LEU N N 77 129.545 129.545 129.074 0.471 19752 11790 1 17 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.919 -0.048 19752 11791 1 17 . 1 1 77 77 LEU C C 77 174.374 174.374 174.534 -0.160 19752 11792 1 17 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.288 0.926 19752 11793 1 17 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.841 -0.770 19752 11794 1 17 . 1 1 77 77 LEU H H 77 10.083 10.083 8.690 1.393 19752 11795 1 17 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.561 -0.232 19752 11796 1 17 . 1 1 78 78 PRO C C 78 177.553 177.553 176.006 1.547 19752 11797 1 17 . 1 1 78 78 PRO CA C 78 62.581 62.581 61.997 0.584 19752 11798 1 17 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.679 0.042 19752 11799 1 17 . 1 1 79 79 ALA N N 79 125.294 125.294 123.045 2.249 19752 11800 1 17 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.161 0.099 19752 11801 1 17 . 1 1 79 79 ALA C C 79 179.984 179.984 178.053 1.931 19752 11802 1 17 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.935 0.242 19752 11803 1 17 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.549 -0.303 19752 11804 1 17 . 1 1 79 79 ALA H H 79 8.585 8.585 8.217 0.368 19752 11805 1 17 . 1 1 80 80 GLY N N 80 110.970 110.970 111.665 -0.695 19752 11806 1 17 . 1 1 80 80 GLY C C 80 173.499 173.499 174.096 -0.597 19752 11807 1 17 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.625 1.329 19752 11808 1 17 . 1 1 80 80 GLY H H 80 8.004 8.004 8.552 -0.548 19752 11809 1 17 . 1 1 81 81 ALA N N 81 122.249 122.249 124.028 -1.779 19752 11810 1 17 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.379 -0.128 19752 11811 1 17 . 1 1 81 81 ALA C C 81 175.709 175.709 175.899 -0.190 19752 11812 1 17 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.705 0.060 19752 11813 1 17 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.674 1.179 19752 11814 1 17 . 1 1 81 81 ALA H H 81 7.363 7.363 7.376 -0.013 19752 11815 1 17 . 1 1 82 82 THR N N 82 114.980 114.980 118.660 -3.680 19752 11816 1 17 . 1 1 82 82 THR HA H 82 5.171 5.171 4.871 0.300 19752 11817 1 17 . 1 1 82 82 THR C C 82 174.618 174.618 173.604 1.014 19752 11818 1 17 . 1 1 82 82 THR CA C 82 62.118 62.118 61.980 0.138 19752 11819 1 17 . 1 1 82 82 THR CB C 82 70.555 70.555 69.512 1.043 19752 11820 1 17 . 1 1 82 82 THR H H 82 8.181 8.181 8.252 -0.071 19752 11821 1 17 . 1 1 83 83 ILE N N 83 127.480 127.480 129.267 -1.787 19752 11822 1 17 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.404 0.000 19752 11823 1 17 . 1 1 83 83 ILE C C 83 173.926 173.926 174.172 -0.246 19752 11824 1 17 . 1 1 83 83 ILE CA C 83 58.339 58.339 59.114 -0.775 19752 11825 1 17 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.552 1.676 19752 11826 1 17 . 1 1 83 83 ILE H H 83 9.627 9.627 9.271 0.356 19752 11827 1 17 . 1 1 84 84 VAL N N 84 128.246 128.246 130.161 -1.915 19752 11828 1 17 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.260 0.413 19752 11829 1 17 . 1 1 84 84 VAL C C 84 175.501 175.501 174.952 0.549 19752 11830 1 17 . 1 1 84 84 VAL CA C 84 62.135 62.135 61.166 0.969 19752 11831 1 17 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.337 -0.680 19752 11832 1 17 . 1 1 84 84 VAL H H 84 8.059 8.059 8.663 -0.604 19752 11833 1 17 . 1 1 85 85 TYR N N 85 126.862 126.862 124.786 2.076 19752 11834 1 17 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.791 0.634 19752 11835 1 17 . 1 1 85 85 TYR C C 85 174.273 174.273 174.042 0.231 19752 11836 1 17 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.746 0.065 19752 11837 1 17 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.010 2.266 19752 11838 1 17 . 1 1 85 85 TYR H H 85 8.840 8.840 8.324 0.516 19752 11839 1 17 . 1 1 86 86 ASP N N 86 115.086 115.086 119.204 -4.118 19752 11840 1 17 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.847 0.621 19752 11841 1 17 . 1 1 86 86 ASP C C 86 177.943 177.943 175.443 2.500 19752 11842 1 17 . 1 1 86 86 ASP CA C 86 54.203 54.203 55.368 -1.165 19752 11843 1 17 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.645 -0.070 19752 11844 1 17 . 1 1 86 86 ASP H H 86 8.843 8.843 8.608 0.235 19752 11845 1 17 . 1 1 87 87 GLU N N 87 124.208 124.208 119.938 4.270 19752 11846 1 17 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.182 -0.067 19752 11847 1 17 . 1 1 87 87 GLU C C 87 173.613 173.613 174.463 -0.850 19752 11848 1 17 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.432 0.340 19752 11849 1 17 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.708 1.799 19752 11850 1 17 . 1 1 87 87 GLU H H 87 8.121 8.121 7.933 0.188 19752 11851 1 17 . 1 1 88 88 VAL N N 88 121.754 121.754 126.853 -5.099 19752 11852 1 17 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.419 1.295 19752 11853 1 17 . 1 1 88 88 VAL C C 88 175.480 175.480 174.933 0.547 19752 11854 1 17 . 1 1 88 88 VAL CA C 88 59.770 59.770 62.018 -2.248 19752 11855 1 17 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.537 2.107 19752 11856 1 17 . 1 1 88 88 VAL H H 88 8.822 8.822 9.254 -0.432 19752 11857 1 17 . 1 1 89 89 CYS N N 89 118.234 118.234 126.046 -7.812 19752 11858 1 17 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.033 0.266 19752 11859 1 17 . 1 1 89 89 CYS C C 89 174.126 174.126 174.222 -0.096 19752 11860 1 17 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.392 -0.306 19752 11861 1 17 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.912 1.192 19752 11862 1 17 . 1 1 89 89 CYS H H 89 9.404 9.404 9.580 -0.176 19752 11863 1 17 . 1 1 90 90 ILE N N 90 122.085 122.085 122.930 -0.845 19752 11864 1 17 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.574 0.659 19752 11865 1 17 . 1 1 90 90 ILE C C 90 176.210 176.210 174.238 1.972 19752 11866 1 17 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.626 0.933 19752 11867 1 17 . 1 1 90 90 ILE CB C 90 41.489 41.489 40.296 1.193 19752 11868 1 17 . 1 1 90 90 ILE H H 90 9.773 9.773 9.535 0.238 19752 11869 1 17 . 1 1 91 91 GLN N N 91 125.884 125.884 127.774 -1.890 19752 11870 1 17 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.773 -0.154 19752 11871 1 17 . 1 1 91 91 GLN C C 91 176.019 176.019 174.208 1.811 19752 11872 1 17 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.618 1.604 19752 11873 1 17 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.382 -0.189 19752 11874 1 17 . 1 1 91 91 GLN H H 91 8.910 8.910 8.621 0.289 19752 11875 1 17 . 1 1 92 92 ALA N N 92 131.300 131.300 129.460 1.840 19752 11876 1 17 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.157 0.367 19752 11877 1 17 . 1 1 92 92 ALA C C 92 178.514 178.514 177.785 0.729 19752 11878 1 17 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.842 -0.376 19752 11879 1 17 . 1 1 92 92 ALA CB C 92 18.269 18.269 17.957 0.312 19752 11880 1 17 . 1 1 92 92 ALA H H 92 9.888 9.888 8.750 1.138 19752 11881 1 17 . 1 1 93 93 GLY N N 93 107.622 107.622 113.197 -5.575 19752 11882 1 17 . 1 1 93 93 GLY C C 93 174.796 174.796 173.474 1.322 19752 11883 1 17 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.034 1.436 19752 11884 1 17 . 1 1 93 93 GLY H H 93 9.675 9.675 8.587 1.088 19752 11885 1 17 . 1 1 94 94 HIS N N 94 118.233 118.233 119.560 -1.327 19752 11886 1 17 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.235 -0.409 19752 11887 1 17 . 1 1 94 94 HIS C C 94 173.575 173.575 172.787 0.788 19752 11888 1 17 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.669 0.551 19752 11889 1 17 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.179 -2.446 19752 11890 1 17 . 1 1 94 94 HIS H H 94 8.337 8.337 8.452 -0.115 19752 11891 1 17 . 1 1 95 95 ILE N N 95 118.964 118.964 120.737 -1.773 19752 11892 1 17 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.526 0.685 19752 11893 1 17 . 1 1 95 95 ILE C C 95 174.555 174.555 173.666 0.889 19752 11894 1 17 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.859 1.123 19752 11895 1 17 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.515 -1.732 19752 11896 1 17 . 1 1 95 95 ILE H H 95 8.116 8.116 7.968 0.148 19752 11897 1 17 . 1 1 96 96 TRP N N 96 127.092 127.092 128.884 -1.792 19752 11898 1 17 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.555 -0.078 19752 11899 1 17 . 1 1 96 96 TRP C C 96 176.216 176.216 175.897 0.319 19752 11900 1 17 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.044 -0.801 19752 11901 1 17 . 1 1 96 96 TRP CB C 96 31.768 31.768 32.404 -0.636 19752 11902 1 17 . 1 1 96 96 TRP H H 96 9.869 9.869 9.291 0.578 19752 11903 1 17 . 1 1 97 97 ILE N N 97 113.283 113.283 118.788 -5.505 19752 11904 1 17 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.043 0.429 19752 11905 1 17 . 1 1 97 97 ILE C C 97 175.278 175.278 175.137 0.141 19752 11906 1 17 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.045 0.139 19752 11907 1 17 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.120 0.529 19752 11908 1 17 . 1 1 97 97 ILE H H 97 8.893 8.893 9.057 -0.164 19752 11909 1 17 . 1 1 98 98 GLY N N 98 109.684 109.684 113.957 -4.273 19752 11910 1 17 . 1 1 98 98 GLY C C 98 172.048 172.048 172.383 -0.335 19752 11911 1 17 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.720 1.400 19752 11912 1 17 . 1 1 98 98 GLY H H 98 9.043 9.043 9.029 0.014 19752 11913 1 17 . 1 1 99 99 TYR N N 99 117.809 117.809 121.650 -3.841 19752 11914 1 17 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.968 -0.060 19752 11915 1 17 . 1 1 99 99 TYR C C 99 172.626 172.626 173.072 -0.446 19752 11916 1 17 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.179 1.080 19752 11917 1 17 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.624 -0.478 19752 11918 1 17 . 1 1 99 99 TYR H H 99 8.434 8.434 8.257 0.177 19752 11919 1 17 . 1 1 100 100 ASN N N 100 117.139 117.139 120.966 -3.827 19752 11920 1 17 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.347 -0.061 19752 11921 1 17 . 1 1 100 100 ASN C C 100 175.315 175.315 174.345 0.970 19752 11922 1 17 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.237 -0.251 19752 11923 1 17 . 1 1 100 100 ASN CB C 100 39.375 39.375 39.808 -0.433 19752 11924 1 17 . 1 1 100 100 ASN H H 100 8.844 8.844 8.605 0.239 19752 11925 1 17 . 1 1 101 101 ALA N N 101 126.218 126.218 126.519 -0.301 19752 11926 1 17 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.784 -0.147 19752 11927 1 17 . 1 1 101 101 ALA C C 101 179.095 179.095 178.338 0.757 19752 11928 1 17 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.377 0.835 19752 11929 1 17 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.839 -0.197 19752 11930 1 17 . 1 1 101 101 ALA H H 101 8.870 8.870 8.874 -0.004 19752 11931 1 17 . 1 1 102 102 TYR N N 102 121.067 121.067 116.717 4.350 19752 11932 1 17 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.379 -0.040 19752 11933 1 17 . 1 1 102 102 TYR C C 102 175.986 175.986 175.630 0.356 19752 11934 1 17 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.013 1.131 19752 11935 1 17 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.274 0.379 19752 11936 1 17 . 1 1 102 102 TYR H H 102 8.720 8.720 8.699 0.021 19752 11937 1 17 . 1 1 103 103 ASN N N 103 115.289 115.289 118.320 -3.031 19752 11938 1 17 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.706 -0.294 19752 11939 1 17 . 1 1 103 103 ASN C C 103 175.963 175.963 176.132 -0.169 19752 11940 1 17 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.821 -0.575 19752 11941 1 17 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.492 -1.247 19752 11942 1 17 . 1 1 103 103 ASN H H 103 7.490 7.490 7.855 -0.365 19752 11943 1 17 . 1 1 104 104 GLY N N 104 107.204 107.204 107.484 -0.280 19752 11944 1 17 . 1 1 104 104 GLY C C 104 174.620 174.620 173.561 1.059 19752 11945 1 17 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.487 -0.359 19752 11946 1 17 . 1 1 104 104 GLY H H 104 8.020 8.020 8.536 -0.516 19752 11947 1 17 . 1 1 105 105 ASN N N 105 118.581 118.581 117.448 1.133 19752 11948 1 17 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.703 -0.127 19752 11949 1 17 . 1 1 105 105 ASN C C 105 173.805 173.805 173.866 -0.061 19752 11950 1 17 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.444 1.586 19752 11951 1 17 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.332 -0.348 19752 11952 1 17 . 1 1 105 105 ASN H H 105 7.703 7.703 7.640 0.063 19752 11953 1 17 . 1 1 106 106 ARG N N 106 123.191 123.191 122.153 1.038 19752 11954 1 17 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.515 0.049 19752 11955 1 17 . 1 1 106 106 ARG C C 106 174.360 174.360 174.930 -0.570 19752 11956 1 17 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.603 -0.941 19752 11957 1 17 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.974 0.633 19752 11958 1 17 . 1 1 106 106 ARG H H 106 8.635 8.635 8.622 0.013 19752 11959 1 17 . 1 1 107 107 VAL N N 107 128.482 128.482 126.963 1.519 19752 11960 1 17 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.605 -0.052 19752 11961 1 17 . 1 1 107 107 VAL C C 107 172.290 172.290 173.913 -1.623 19752 11962 1 17 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.783 -0.099 19752 11963 1 17 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.060 0.417 19752 11964 1 17 . 1 1 107 107 VAL H H 107 8.668 8.668 8.623 0.045 19752 11965 1 17 . 1 1 108 108 TYR N N 108 119.055 119.055 123.681 -4.626 19752 11966 1 17 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.642 -0.149 19752 11967 1 17 . 1 1 108 108 TYR C C 108 175.215 175.215 175.372 -0.157 19752 11968 1 17 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.091 0.481 19752 11969 1 17 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.964 0.471 19752 11970 1 17 . 1 1 108 108 TYR H H 108 8.944 8.944 9.195 -0.251 19752 11971 1 17 . 1 1 109 109 CYS N N 109 124.377 124.377 122.265 2.112 19752 11972 1 17 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.059 0.386 19752 11973 1 17 . 1 1 109 109 CYS C C 109 171.899 171.899 173.384 -1.485 19752 11974 1 17 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.212 -1.047 19752 11975 1 17 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.151 -1.348 19752 11976 1 17 . 1 1 109 109 CYS H H 109 9.675 9.675 8.773 0.902 19752 11977 1 17 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.168 1.011 19752 11978 1 17 . 1 1 110 110 PRO C C 110 175.490 175.490 177.227 -1.737 19752 11979 1 17 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.412 -0.814 19752 11980 1 17 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.621 -1.165 19752 11981 1 17 . 1 1 111 111 VAL N N 111 109.293 109.293 111.719 -2.426 19752 11982 1 17 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.346 1.063 19752 11983 1 17 . 1 1 111 111 VAL C C 111 173.598 173.598 174.425 -0.827 19752 11984 1 17 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.963 -3.870 19752 11985 1 17 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.199 3.322 19752 11986 1 17 . 1 1 111 111 VAL H H 111 8.382 8.382 7.273 1.109 19752 11987 1 17 . 1 1 112 112 ARG N N 112 110.825 110.825 116.588 -5.763 19752 11988 1 17 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.709 -1.551 19752 11989 1 17 . 1 1 112 112 ARG C C 112 175.480 175.480 175.041 0.439 19752 11990 1 17 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.609 0.840 19752 11991 1 17 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.603 -1.458 19752 11992 1 17 . 1 1 112 112 ARG H H 112 6.735 6.735 7.794 -1.059 19752 11993 1 17 . 1 1 113 113 THR N N 113 111.002 111.002 118.749 -7.747 19752 11994 1 17 . 1 1 113 113 THR HA H 113 4.238 4.238 4.213 0.025 19752 11995 1 17 . 1 1 113 113 THR C C 113 174.123 174.123 174.190 -0.067 19752 11996 1 17 . 1 1 113 113 THR CA C 113 62.468 62.468 64.020 -1.552 19752 11997 1 17 . 1 1 113 113 THR CB C 113 70.502 70.502 69.072 1.430 19752 11998 1 17 . 1 1 113 113 THR H H 113 8.898 8.898 7.738 1.160 19752 11999 1 17 . 1 1 114 114 CYS N N 114 119.522 119.522 125.572 -6.050 19752 12000 1 17 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.200 -0.685 19752 12001 1 17 . 1 1 114 114 CYS C C 114 172.669 172.669 172.934 -0.265 19752 12002 1 17 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.895 1.722 19752 12003 1 17 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.643 -1.098 19752 12004 1 17 . 1 1 114 114 CYS H H 114 7.936 7.936 8.684 -0.748 19752 12005 1 17 . 1 1 115 115 GLN N N 115 129.342 129.342 125.282 4.060 19752 12006 1 17 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.512 0.116 19752 12007 1 17 . 1 1 115 115 GLN C C 115 175.456 175.456 174.273 1.183 19752 12008 1 17 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.818 -0.576 19752 12009 1 17 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.203 -0.026 19752 12010 1 17 . 1 1 115 115 GLN H H 115 7.963 7.963 8.641 -0.678 19752 12011 1 17 . 1 1 116 116 GLY N N 116 112.311 112.311 109.904 2.407 19752 12012 1 17 . 1 1 116 116 GLY C C 116 171.907 171.907 172.035 -0.128 19752 12013 1 17 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.851 -0.634 19752 12014 1 17 . 1 1 116 116 GLY H H 116 8.591 8.591 8.314 0.277 19752 12015 1 17 . 1 1 117 117 VAL N N 117 110.113 110.113 119.973 -9.860 19752 12016 1 17 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.240 -0.102 19752 12017 1 17 . 1 1 117 117 VAL C C 117 171.857 171.857 173.623 -1.766 19752 12018 1 17 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.372 -0.415 19752 12019 1 17 . 1 1 117 117 VAL CB C 117 32.549 32.549 35.235 -2.686 19752 12020 1 17 . 1 1 117 117 VAL H H 117 7.745 7.745 7.808 -0.063 19752 12021 1 17 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.823 0.673 19752 12022 1 17 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.263 -0.773 19752 12023 1 17 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.546 -0.786 19752 12024 1 17 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.084 0.292 19752 12025 1 17 . 1 1 119 119 PRO C C 119 176.006 176.006 175.465 0.541 19752 12026 1 17 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.438 1.718 19752 12027 1 17 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.349 1.686 19752 12028 1 17 . 1 1 120 120 ASN N N 120 124.472 124.472 120.062 4.410 19752 12029 1 17 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.621 0.283 19752 12030 1 17 . 1 1 120 120 ASN C C 120 172.963 172.963 173.871 -0.908 19752 12031 1 17 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.151 0.964 19752 12032 1 17 . 1 1 120 120 ASN CB C 120 39.227 39.227 39.159 0.068 19752 12033 1 17 . 1 1 120 120 ASN H H 120 8.414 8.414 7.880 0.534 19752 12034 1 17 . 1 1 121 121 HIS N N 121 120.276 120.276 121.493 -1.217 19752 12035 1 17 . 1 1 121 121 HIS HA H 121 4.427 4.427 5.056 -0.629 19752 12036 1 17 . 1 1 121 121 HIS C C 121 174.788 174.788 174.097 0.691 19752 12037 1 17 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.519 2.181 19752 12038 1 17 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.431 -0.723 19752 12039 1 17 . 1 1 121 121 HIS H H 121 8.591 8.591 7.749 0.842 19752 12040 1 17 . 1 1 122 122 ILE N N 122 120.474 120.474 123.812 -3.338 19752 12041 1 17 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.594 -0.249 19752 12042 1 17 . 1 1 122 122 ILE C C 122 174.718 174.718 173.948 0.770 19752 12043 1 17 . 1 1 122 122 ILE CA C 122 58.130 58.130 56.858 1.272 19752 12044 1 17 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.088 2.682 19752 12045 1 17 . 1 1 122 122 ILE H H 122 8.883 8.883 9.099 -0.216 19752 12046 1 17 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.499 -1.003 19752 12047 1 17 . 1 1 123 123 PRO C C 123 177.104 177.104 176.318 0.786 19752 12048 1 17 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.605 1.002 19752 12049 1 17 . 1 1 123 123 PRO CB C 123 32.529 32.529 33.318 -0.789 19752 12050 1 17 . 1 1 124 124 GLY N N 124 111.030 111.030 109.139 1.891 19752 12051 1 17 . 1 1 124 124 GLY C C 124 173.906 173.906 173.247 0.659 19752 12052 1 17 . 1 1 124 124 GLY CA C 124 43.117 43.117 43.541 -0.424 19752 12053 1 17 . 1 1 124 124 GLY H H 124 8.553 8.553 8.768 -0.215 19752 12054 1 17 . 1 1 125 125 VAL N N 125 121.916 121.916 121.829 0.087 19752 12055 1 17 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.747 0.173 19752 12056 1 17 . 1 1 125 125 VAL C C 125 176.148 176.148 175.271 0.877 19752 12057 1 17 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.721 0.917 19752 12058 1 17 . 1 1 125 125 VAL CB C 125 32.118 32.118 31.884 0.235 19752 12059 1 17 . 1 1 125 125 VAL H H 125 8.493 8.493 8.287 0.206 19752 12060 1 17 . 1 1 126 126 ALA N N 126 127.872 127.872 129.938 -2.066 19752 12061 1 17 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.374 0.116 19752 12062 1 17 . 1 1 126 126 ALA C C 126 179.447 179.447 177.083 2.364 19752 12063 1 17 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.838 1.831 19752 12064 1 17 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.576 0.052 19752 12065 1 17 . 1 1 126 126 ALA H H 126 8.835 8.835 8.154 0.681 19752 12066 1 17 . 1 1 127 127 TRP N N 127 121.928 121.928 123.183 -1.255 19752 12067 1 17 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.925 0.188 19752 12068 1 17 . 1 1 127 127 TRP C C 127 174.684 174.684 175.462 -0.778 19752 12069 1 17 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.362 -0.733 19752 12070 1 17 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.248 -2.094 19752 12071 1 17 . 1 1 127 127 TRP H H 127 8.555 8.555 9.075 -0.520 19752 12072 1 17 . 1 1 128 128 GLY N N 128 103.981 103.981 106.246 -2.265 19752 12073 1 17 . 1 1 128 128 GLY C C 128 171.694 171.694 172.492 -0.798 19752 12074 1 17 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.778 0.911 19752 12075 1 17 . 1 1 128 128 GLY H H 128 7.280 7.280 7.659 -0.379 19752 12076 1 17 . 1 1 129 129 VAL N N 129 119.078 119.078 120.788 -1.710 19752 12077 1 17 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.457 -0.114 19752 12078 1 17 . 1 1 129 129 VAL C C 129 173.255 173.255 174.582 -1.327 19752 12079 1 17 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.437 0.224 19752 12080 1 17 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.879 0.672 19752 12081 1 17 . 1 1 129 129 VAL H H 129 8.274 8.274 8.290 -0.016 19752 12082 1 17 . 1 1 130 130 PHE N N 130 122.633 122.633 125.094 -2.461 19752 12083 1 17 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.741 -0.197 19752 12084 1 17 . 1 1 130 130 PHE C C 130 175.771 175.771 175.850 -0.079 19752 12085 1 17 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.215 -0.039 19752 12086 1 17 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.882 -1.212 19752 12087 1 17 . 1 1 130 130 PHE H H 130 8.464 8.464 8.628 -0.164 19752 12088 1 18 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.745 0.021 19752 12089 1 18 . 1 1 2 2 ASN C C 2 174.930 174.930 177.005 -2.075 19752 12090 1 18 . 1 1 2 2 ASN CA C 2 53.209 53.209 54.200 -0.991 19752 12091 1 18 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.660 0.553 19752 12092 1 18 . 1 1 3 3 ALA N N 3 124.643 124.643 120.676 3.967 19752 12093 1 18 . 1 1 3 3 ALA HA H 3 4.264 4.264 3.911 0.353 19752 12094 1 18 . 1 1 3 3 ALA C C 3 177.790 177.790 177.629 0.161 19752 12095 1 18 . 1 1 3 3 ALA CA C 3 52.837 52.837 54.468 -1.631 19752 12096 1 18 . 1 1 3 3 ALA CB C 3 19.240 19.240 17.739 1.501 19752 12097 1 18 . 1 1 3 3 ALA H H 3 8.386 8.386 8.414 -0.028 19752 12098 1 18 . 1 1 4 4 LYS N N 4 120.203 120.203 117.676 2.527 19752 12099 1 18 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.426 -0.203 19752 12100 1 18 . 1 1 4 4 LYS C C 4 176.230 176.230 175.494 0.736 19752 12101 1 18 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.067 0.467 19752 12102 1 18 . 1 1 4 4 LYS CB C 4 32.811 32.811 34.540 -1.729 19752 12103 1 18 . 1 1 4 4 LYS H H 4 8.300 8.300 8.713 -0.413 19752 12104 1 18 . 1 1 5 5 ASN N N 5 119.229 119.229 119.758 -0.529 19752 12105 1 18 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.813 -0.145 19752 12106 1 18 . 1 1 5 5 ASN C C 5 175.033 175.033 173.290 1.743 19752 12107 1 18 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.078 0.047 19752 12108 1 18 . 1 1 5 5 ASN CB C 5 38.777 38.777 37.978 0.799 19752 12109 1 18 . 1 1 5 5 ASN H H 5 8.320 8.320 8.225 0.095 19752 12110 1 18 . 1 1 6 6 TYR N N 6 120.593 120.593 123.492 -2.899 19752 12111 1 18 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.703 -0.193 19752 12112 1 18 . 1 1 6 6 TYR C C 6 175.554 175.554 175.592 -0.038 19752 12113 1 18 . 1 1 6 6 TYR CA C 6 58.213 58.213 57.759 0.454 19752 12114 1 18 . 1 1 6 6 TYR CB C 6 38.601 38.601 38.873 -0.272 19752 12115 1 18 . 1 1 6 6 TYR H H 6 8.087 8.087 8.612 -0.525 19752 12116 1 18 . 1 1 7 7 MET N N 7 121.477 121.477 119.894 1.583 19752 12117 1 18 . 1 1 7 7 MET HA H 7 4.391 4.391 4.589 -0.198 19752 12118 1 18 . 1 1 7 7 MET C C 7 175.609 175.609 175.983 -0.374 19752 12119 1 18 . 1 1 7 7 MET CA C 7 55.494 55.494 55.353 0.141 19752 12120 1 18 . 1 1 7 7 MET CB C 7 32.970 32.970 33.446 -0.475 19752 12121 1 18 . 1 1 7 7 MET H H 7 8.121 8.121 8.035 0.086 19752 12122 1 18 . 1 1 8 8 ASP N N 8 121.704 121.704 122.867 -1.163 19752 12123 1 18 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.534 0.021 19752 12124 1 18 . 1 1 8 8 ASP C C 8 176.344 176.344 175.775 0.569 19752 12125 1 18 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.463 0.008 19752 12126 1 18 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.045 0.277 19752 12127 1 18 . 1 1 8 8 ASP H H 8 8.189 8.189 7.955 0.234 19752 12128 1 18 . 1 1 9 9 LYS N N 9 122.168 122.168 127.838 -5.670 19752 12129 1 18 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.299 0.008 19752 12130 1 18 . 1 1 9 9 LYS C C 9 177.267 177.267 176.647 0.620 19752 12131 1 18 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.492 0.130 19752 12132 1 18 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.919 -0.154 19752 12133 1 18 . 1 1 9 9 LYS H H 9 8.335 8.335 8.031 0.304 19752 12134 1 18 . 1 1 10 10 GLY N N 10 109.505 109.505 112.612 -3.107 19752 12135 1 18 . 1 1 10 10 GLY C C 10 174.568 174.568 174.011 0.557 19752 12136 1 18 . 1 1 10 10 GLY CA C 10 45.583 45.583 44.790 0.793 19752 12137 1 18 . 1 1 10 10 GLY H H 10 8.497 8.497 8.681 -0.184 19752 12138 1 18 . 1 1 11 11 THR N N 11 113.312 113.312 113.067 0.245 19752 12139 1 18 . 1 1 11 11 THR HA H 11 4.396 4.396 3.839 0.557 19752 12140 1 18 . 1 1 11 11 THR C C 11 174.719 174.719 174.237 0.482 19752 12141 1 18 . 1 1 11 11 THR CA C 11 61.779 61.779 62.549 -0.770 19752 12142 1 18 . 1 1 11 11 THR CB C 11 69.963 69.963 67.438 2.525 19752 12143 1 18 . 1 1 11 11 THR H H 11 8.081 8.081 7.758 0.323 19752 12144 1 18 . 1 1 12 12 SER N N 12 118.272 118.272 121.339 -3.067 19752 12145 1 18 . 1 1 12 12 SER HA H 12 4.499 4.499 4.414 0.085 19752 12146 1 18 . 1 1 12 12 SER C C 12 174.766 174.766 174.164 0.602 19752 12147 1 18 . 1 1 12 12 SER CA C 12 58.432 58.432 59.577 -1.145 19752 12148 1 18 . 1 1 12 12 SER CB C 12 63.986 63.986 63.944 0.042 19752 12149 1 18 . 1 1 12 12 SER H H 12 8.413 8.413 9.378 -0.965 19752 12150 1 18 . 1 1 13 13 SER N N 13 118.106 118.106 120.980 -2.874 19752 12151 1 18 . 1 1 13 13 SER HA H 13 4.518 4.518 4.806 -0.288 19752 12152 1 18 . 1 1 13 13 SER C C 13 174.674 174.674 173.548 1.126 19752 12153 1 18 . 1 1 13 13 SER CA C 13 58.607 58.607 58.083 0.524 19752 12154 1 18 . 1 1 13 13 SER CB C 13 63.869 63.869 64.445 -0.576 19752 12155 1 18 . 1 1 13 13 SER H H 13 8.414 8.414 8.315 0.099 19752 12156 1 18 . 1 1 14 14 SER N N 14 117.724 117.724 116.145 1.579 19752 12157 1 18 . 1 1 14 14 SER HA H 14 4.535 4.535 4.255 0.280 19752 12158 1 18 . 1 1 14 14 SER C C 14 174.743 174.743 173.492 1.251 19752 12159 1 18 . 1 1 14 14 SER CA C 14 58.630 58.630 59.293 -0.663 19752 12160 1 18 . 1 1 14 14 SER CB C 14 63.798 63.798 62.877 0.921 19752 12161 1 18 . 1 1 14 14 SER H H 14 8.379 8.379 8.585 -0.206 19752 12162 1 18 . 1 1 15 15 THR N N 15 116.549 116.549 119.037 -2.488 19752 12163 1 18 . 1 1 15 15 THR HA H 15 4.336 4.336 4.385 -0.049 19752 12164 1 18 . 1 1 15 15 THR C C 15 174.310 174.310 173.831 0.479 19752 12165 1 18 . 1 1 15 15 THR CA C 15 62.161 62.161 62.640 -0.479 19752 12166 1 18 . 1 1 15 15 THR CB C 15 69.603 69.603 68.551 1.052 19752 12167 1 18 . 1 1 15 15 THR H H 15 8.195 8.195 8.140 0.055 19752 12168 1 18 . 1 1 16 16 VAL N N 16 123.406 123.406 124.011 -0.605 19752 12169 1 18 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.454 -0.352 19752 12170 1 18 . 1 1 16 16 VAL C C 16 175.934 175.934 175.863 0.071 19752 12171 1 18 . 1 1 16 16 VAL CA C 16 62.512 62.512 61.198 1.314 19752 12172 1 18 . 1 1 16 16 VAL CB C 16 32.738 32.738 34.667 -1.929 19752 12173 1 18 . 1 1 16 16 VAL H H 16 8.121 8.121 8.104 0.017 19752 12174 1 18 . 1 1 17 17 VAL N N 17 125.445 125.445 125.251 0.194 19752 12175 1 18 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.209 -0.124 19752 12176 1 18 . 1 1 17 17 VAL C C 17 176.102 176.102 175.783 0.319 19752 12177 1 18 . 1 1 17 17 VAL CA C 17 62.279 62.279 63.349 -1.070 19752 12178 1 18 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.740 0.937 19752 12179 1 18 . 1 1 17 17 VAL H H 17 8.293 8.293 8.389 -0.096 19752 12180 1 18 . 1 1 18 18 LYS N N 18 126.281 126.281 120.862 5.419 19752 12181 1 18 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.121 0.221 19752 12182 1 18 . 1 1 18 18 LYS C C 18 176.138 176.138 175.297 0.841 19752 12183 1 18 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.243 -0.038 19752 12184 1 18 . 1 1 18 18 LYS CB C 18 33.146 33.146 31.955 1.191 19752 12185 1 18 . 1 1 18 18 LYS H H 18 8.478 8.478 7.941 0.537 19752 12186 1 18 . 1 1 19 19 ASP N N 19 121.904 121.904 119.730 2.174 19752 12187 1 18 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.470 0.094 19752 12188 1 18 . 1 1 19 19 ASP C C 19 176.698 176.698 176.507 0.191 19752 12189 1 18 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.794 -0.409 19752 12190 1 18 . 1 1 19 19 ASP CB C 19 41.223 41.223 40.809 0.414 19752 12191 1 18 . 1 1 19 19 ASP H H 19 8.379 8.379 8.423 -0.044 19752 12192 1 18 . 1 1 20 20 GLY N N 20 109.177 109.177 112.122 -2.945 19752 12193 1 18 . 1 1 20 20 GLY C C 20 174.374 174.374 173.655 0.719 19752 12194 1 18 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.043 0.595 19752 12195 1 18 . 1 1 20 20 GLY H H 20 8.390 8.390 8.123 0.267 19752 12196 1 18 . 1 1 21 21 LYS N N 21 120.814 120.814 121.127 -0.313 19752 12197 1 18 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.456 -0.067 19752 12198 1 18 . 1 1 21 21 LYS C C 21 177.041 177.041 175.621 1.420 19752 12199 1 18 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.240 0.336 19752 12200 1 18 . 1 1 21 21 LYS CB C 21 33.090 33.090 33.946 -0.856 19752 12201 1 18 . 1 1 21 21 LYS H H 21 8.229 8.229 8.353 -0.124 19752 12202 1 18 . 1 1 22 22 THR N N 22 115.105 115.105 118.446 -3.341 19752 12203 1 18 . 1 1 22 22 THR HA H 22 4.393 4.393 4.448 -0.055 19752 12204 1 18 . 1 1 22 22 THR C C 22 174.607 174.607 174.294 0.313 19752 12205 1 18 . 1 1 22 22 THR CA C 22 61.880 61.880 62.043 -0.163 19752 12206 1 18 . 1 1 22 22 THR CB C 22 69.736 69.736 69.447 0.289 19752 12207 1 18 . 1 1 22 22 THR H H 22 8.237 8.237 7.937 0.300 19752 12208 1 18 . 1 1 24 24 SER HA H 24 4.486 4.486 4.244 0.242 19752 12209 1 18 . 1 1 24 24 SER C C 24 174.299 174.299 174.563 -0.264 19752 12210 1 18 . 1 1 24 24 SER CA C 24 58.547 58.547 59.592 -1.045 19752 12211 1 18 . 1 1 24 24 SER CB C 24 63.787 63.787 61.303 2.484 19752 12212 1 18 . 1 1 25 25 ALA N N 25 125.891 125.891 123.004 2.887 19752 12213 1 18 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.171 0.205 19752 12214 1 18 . 1 1 25 25 ALA C C 25 177.660 177.660 177.894 -0.234 19752 12215 1 18 . 1 1 25 25 ALA CA C 25 52.629 52.629 53.960 -1.331 19752 12216 1 18 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.445 -0.154 19752 12217 1 18 . 1 1 25 25 ALA H H 25 8.328 8.328 7.657 0.671 19752 12218 1 18 . 1 1 26 26 SER N N 26 115.155 115.155 111.834 3.321 19752 12219 1 18 . 1 1 26 26 SER HA H 26 4.486 4.486 4.715 -0.229 19752 12220 1 18 . 1 1 26 26 SER C C 26 174.291 174.291 173.089 1.202 19752 12221 1 18 . 1 1 26 26 SER CA C 26 58.237 58.237 56.985 1.252 19752 12222 1 18 . 1 1 26 26 SER CB C 26 63.917 63.917 64.076 -0.159 19752 12223 1 18 . 1 1 26 26 SER H H 26 8.267 8.267 7.703 0.564 19752 12224 1 18 . 1 1 27 27 THR N N 27 118.324 118.324 112.487 5.837 19752 12225 1 18 . 1 1 27 27 THR HA H 27 4.627 4.627 4.115 0.512 19752 12226 1 18 . 1 1 27 27 THR C C 27 172.782 172.782 172.635 0.147 19752 12227 1 18 . 1 1 27 27 THR CA C 27 59.748 59.748 61.986 -2.238 19752 12228 1 18 . 1 1 27 27 THR CB C 27 69.702 69.702 67.234 2.468 19752 12229 1 18 . 1 1 27 27 THR H H 27 8.164 8.164 8.255 -0.091 19752 12230 1 18 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.510 -0.107 19752 12231 1 18 . 1 1 28 28 PRO C C 28 176.630 176.630 175.770 0.860 19752 12232 1 18 . 1 1 28 28 PRO CA C 28 63.250 63.250 62.533 0.717 19752 12233 1 18 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.220 0.945 19752 12234 1 18 . 1 1 29 29 ALA N N 29 124.263 124.263 128.572 -4.309 19752 12235 1 18 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.388 -0.039 19752 12236 1 18 . 1 1 29 29 ALA C C 29 177.974 177.974 178.778 -0.804 19752 12237 1 18 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.169 -0.514 19752 12238 1 18 . 1 1 29 29 ALA CB C 29 19.277 19.277 19.893 -0.616 19752 12239 1 18 . 1 1 29 29 ALA H H 29 8.432 8.432 8.159 0.273 19752 12240 1 18 . 1 1 30 30 THR N N 30 113.368 113.368 114.543 -1.175 19752 12241 1 18 . 1 1 30 30 THR HA H 30 4.281 4.281 4.314 -0.033 19752 12242 1 18 . 1 1 30 30 THR C C 30 174.257 174.257 174.052 0.205 19752 12243 1 18 . 1 1 30 30 THR CA C 30 61.656 61.656 63.793 -2.137 19752 12244 1 18 . 1 1 30 30 THR CB C 30 69.801 69.801 67.490 2.311 19752 12245 1 18 . 1 1 30 30 THR H H 30 8.106 8.106 8.341 -0.235 19752 12246 1 18 . 1 1 31 31 ARG N N 31 124.700 124.700 120.177 4.523 19752 12247 1 18 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.851 -0.201 19752 12248 1 18 . 1 1 31 31 ARG C C 31 174.094 174.094 175.235 -1.141 19752 12249 1 18 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.816 -2.765 19752 12250 1 18 . 1 1 31 31 ARG CB C 31 30.374 30.374 28.797 1.577 19752 12251 1 18 . 1 1 31 31 ARG H H 31 8.318 8.318 8.028 0.290 19752 12252 1 18 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.428 0.071 19752 12253 1 18 . 1 1 32 32 PRO C C 32 177.065 177.065 178.789 -1.724 19752 12254 1 18 . 1 1 32 32 PRO CA C 32 63.060 63.060 64.969 -1.909 19752 12255 1 18 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.306 0.851 19752 12256 1 18 . 1 1 33 33 VAL N N 33 120.890 120.890 119.702 1.188 19752 12257 1 18 . 1 1 33 33 VAL HA H 33 4.208 4.208 3.872 0.336 19752 12258 1 18 . 1 1 33 33 VAL C C 33 176.668 176.668 176.987 -0.319 19752 12259 1 18 . 1 1 33 33 VAL CA C 33 62.608 62.608 65.409 -2.801 19752 12260 1 18 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.633 1.114 19752 12261 1 18 . 1 1 33 33 VAL H H 33 8.447 8.447 7.487 0.960 19752 12262 1 18 . 1 1 34 34 THR N N 34 116.709 116.709 113.573 3.136 19752 12263 1 18 . 1 1 34 34 THR HA H 34 4.377 4.377 4.638 -0.261 19752 12264 1 18 . 1 1 34 34 THR C C 34 174.791 174.791 174.408 0.383 19752 12265 1 18 . 1 1 34 34 THR CA C 34 61.700 61.700 61.075 0.625 19752 12266 1 18 . 1 1 34 34 THR CB C 34 69.697 69.697 67.032 2.665 19752 12267 1 18 . 1 1 34 34 THR H H 34 8.221 8.221 7.621 0.600 19752 12268 1 18 . 1 1 35 35 GLY N N 35 111.182 111.182 110.570 0.612 19752 12269 1 18 . 1 1 35 35 GLY C C 35 173.940 173.940 174.636 -0.696 19752 12270 1 18 . 1 1 35 35 GLY CA C 35 45.656 45.656 44.946 0.710 19752 12271 1 18 . 1 1 35 35 GLY H H 35 8.376 8.376 7.898 0.478 19752 12272 1 18 . 1 1 36 36 SER N N 36 116.779 116.779 118.762 -1.983 19752 12273 1 18 . 1 1 36 36 SER HA H 36 4.456 4.456 3.912 0.544 19752 12274 1 18 . 1 1 36 36 SER C C 36 173.880 173.880 173.905 -0.025 19752 12275 1 18 . 1 1 36 36 SER CA C 36 58.255 58.255 60.927 -2.672 19752 12276 1 18 . 1 1 36 36 SER CB C 36 64.195 64.195 61.913 2.282 19752 12277 1 18 . 1 1 36 36 SER H H 36 8.456 8.456 8.341 0.116 19752 12278 1 18 . 1 1 37 37 TRP N N 37 121.744 121.744 123.273 -1.529 19752 12279 1 18 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.772 -0.244 19752 12280 1 18 . 1 1 37 37 TRP C C 37 176.500 176.500 175.790 0.710 19752 12281 1 18 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.631 0.459 19752 12282 1 18 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.151 0.856 19752 12283 1 18 . 1 1 37 37 TRP H H 37 8.171 8.171 7.709 0.462 19752 12284 1 18 . 1 1 38 38 LYS N N 38 123.158 123.158 123.423 -0.265 19752 12285 1 18 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.860 -0.234 19752 12286 1 18 . 1 1 38 38 LYS C C 38 172.839 172.839 174.643 -1.804 19752 12287 1 18 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.255 0.901 19752 12288 1 18 . 1 1 38 38 LYS CB C 38 36.656 36.656 36.556 0.100 19752 12289 1 18 . 1 1 38 38 LYS H H 38 8.736 8.736 8.715 0.021 19752 12290 1 18 . 1 1 39 39 LYS N N 39 121.526 121.526 125.670 -4.144 19752 12291 1 18 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.103 0.637 19752 12292 1 18 . 1 1 39 39 LYS C C 39 177.510 177.510 176.140 1.370 19752 12293 1 18 . 1 1 39 39 LYS CA C 39 54.316 54.316 56.017 -1.702 19752 12294 1 18 . 1 1 39 39 LYS CB C 39 33.357 33.357 31.821 1.536 19752 12295 1 18 . 1 1 39 39 LYS H H 39 8.123 8.123 8.415 -0.292 19752 12296 1 18 . 1 1 40 40 ASN N N 40 123.988 123.988 125.356 -1.368 19752 12297 1 18 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.739 0.317 19752 12298 1 18 . 1 1 40 40 ASN C C 40 177.524 177.524 176.602 0.922 19752 12299 1 18 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.650 -1.810 19752 12300 1 18 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.429 -1.273 19752 12301 1 18 . 1 1 40 40 ASN H H 40 8.583 8.583 9.021 -0.438 19752 12302 1 18 . 1 1 41 41 GLN N N 41 116.529 116.529 119.773 -3.244 19752 12303 1 18 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.003 0.057 19752 12304 1 18 . 1 1 41 41 GLN C C 41 175.829 175.829 175.487 0.342 19752 12305 1 18 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.095 -0.334 19752 12306 1 18 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.023 -0.076 19752 12307 1 18 . 1 1 41 41 GLN H H 41 8.856 8.856 8.809 0.047 19752 12308 1 18 . 1 1 42 42 TYR N N 42 119.255 119.255 118.286 0.969 19752 12309 1 18 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.621 0.030 19752 12310 1 18 . 1 1 42 42 TYR C C 42 175.782 175.782 176.218 -0.436 19752 12311 1 18 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.705 -0.585 19752 12312 1 18 . 1 1 42 42 TYR CB C 42 38.118 38.118 37.810 0.308 19752 12313 1 18 . 1 1 42 42 TYR H H 42 7.604 7.604 7.475 0.129 19752 12314 1 18 . 1 1 43 43 GLY N N 43 106.354 106.354 107.814 -1.460 19752 12315 1 18 . 1 1 43 43 GLY C C 43 173.297 173.297 174.012 -0.715 19752 12316 1 18 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.626 -0.463 19752 12317 1 18 . 1 1 43 43 GLY H H 43 7.993 7.993 8.207 -0.214 19752 12318 1 18 . 1 1 44 44 THR N N 44 120.062 120.062 117.972 2.090 19752 12319 1 18 . 1 1 44 44 THR HA H 44 4.176 4.176 4.451 -0.275 19752 12320 1 18 . 1 1 44 44 THR C C 44 173.969 173.969 174.080 -0.111 19752 12321 1 18 . 1 1 44 44 THR CA C 44 62.132 62.132 64.156 -2.024 19752 12322 1 18 . 1 1 44 44 THR CB C 44 68.989 68.989 69.367 -0.378 19752 12323 1 18 . 1 1 44 44 THR H H 44 7.781 7.781 7.403 0.378 19752 12324 1 18 . 1 1 45 45 TRP N N 45 129.666 129.666 126.999 2.667 19752 12325 1 18 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.406 0.270 19752 12326 1 18 . 1 1 45 45 TRP C C 45 175.999 175.999 176.286 -0.287 19752 12327 1 18 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.745 -0.139 19752 12328 1 18 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.482 0.159 19752 12329 1 18 . 1 1 45 45 TRP H H 45 8.041 8.041 8.540 -0.499 19752 12330 1 18 . 1 1 46 46 TYR N N 46 122.938 122.938 119.444 3.494 19752 12331 1 18 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.179 0.159 19752 12332 1 18 . 1 1 46 46 TYR C C 46 173.663 173.663 173.373 0.290 19752 12333 1 18 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.212 1.095 19752 12334 1 18 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.731 1.393 19752 12335 1 18 . 1 1 46 46 TYR H H 46 10.329 10.329 9.509 0.820 19752 12336 1 18 . 1 1 47 47 LYS N N 47 118.986 118.986 117.738 1.248 19752 12337 1 18 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.646 0.125 19752 12338 1 18 . 1 1 47 47 LYS C C 47 172.462 172.462 173.497 -1.035 19752 12339 1 18 . 1 1 47 47 LYS CA C 47 53.712 53.712 53.279 0.433 19752 12340 1 18 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.946 -0.828 19752 12341 1 18 . 1 1 47 47 LYS H H 47 8.923 8.923 9.110 -0.187 19752 12342 1 18 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.742 0.060 19752 12343 1 18 . 1 1 48 48 PRO C C 48 176.747 176.747 175.815 0.932 19752 12344 1 18 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.797 -0.132 19752 12345 1 18 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.377 0.662 19752 12346 1 18 . 1 1 49 49 GLU N N 49 125.285 125.285 122.640 2.645 19752 12347 1 18 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.400 -0.412 19752 12348 1 18 . 1 1 49 49 GLU C C 49 170.927 170.927 174.439 -3.512 19752 12349 1 18 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.752 2.119 19752 12350 1 18 . 1 1 49 49 GLU CB C 49 33.230 33.230 33.066 0.164 19752 12351 1 18 . 1 1 49 49 GLU H H 49 7.771 7.771 8.347 -0.576 19752 12352 1 18 . 1 1 50 50 ASN N N 50 122.328 122.328 123.544 -1.216 19752 12353 1 18 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.688 -0.290 19752 12354 1 18 . 1 1 50 50 ASN C C 50 173.648 173.648 174.048 -0.400 19752 12355 1 18 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.106 -0.420 19752 12356 1 18 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.691 -0.045 19752 12357 1 18 . 1 1 50 50 ASN H H 50 8.148 8.148 8.552 -0.404 19752 12358 1 18 . 1 1 51 51 ALA N N 51 126.527 126.527 128.357 -1.830 19752 12359 1 18 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.469 -0.016 19752 12360 1 18 . 1 1 51 51 ALA C C 51 172.872 172.872 174.509 -1.637 19752 12361 1 18 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.032 0.565 19752 12362 1 18 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.703 -3.033 19752 12363 1 18 . 1 1 51 51 ALA H H 51 7.085 7.085 8.330 -1.245 19752 12364 1 18 . 1 1 52 52 THR N N 52 112.831 112.831 115.405 -2.574 19752 12365 1 18 . 1 1 52 52 THR HA H 52 5.167 5.167 5.054 0.113 19752 12366 1 18 . 1 1 52 52 THR C C 52 172.852 172.852 172.977 -0.125 19752 12367 1 18 . 1 1 52 52 THR CA C 52 62.232 62.232 61.721 0.511 19752 12368 1 18 . 1 1 52 52 THR CB C 52 71.068 71.068 70.431 0.637 19752 12369 1 18 . 1 1 52 52 THR H H 52 8.036 8.036 8.233 -0.197 19752 12370 1 18 . 1 1 53 53 PHE N N 53 127.883 127.883 129.231 -1.348 19752 12371 1 18 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.263 0.060 19752 12372 1 18 . 1 1 53 53 PHE C C 53 172.928 172.928 172.981 -0.053 19752 12373 1 18 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.533 -0.258 19752 12374 1 18 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.488 0.717 19752 12375 1 18 . 1 1 53 53 PHE H H 53 9.714 9.714 9.643 0.071 19752 12376 1 18 . 1 1 54 54 VAL N N 54 127.284 127.284 127.907 -0.623 19752 12377 1 18 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.275 0.045 19752 12378 1 18 . 1 1 54 54 VAL C C 54 175.842 175.842 173.915 1.927 19752 12379 1 18 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.391 -0.239 19752 12380 1 18 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.591 -0.853 19752 12381 1 18 . 1 1 54 54 VAL H H 54 8.583 8.583 8.800 -0.216 19752 12382 1 18 . 1 1 55 55 ASN N N 55 125.723 125.723 125.311 0.412 19752 12383 1 18 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.137 0.023 19752 12384 1 18 . 1 1 55 55 ASN C C 55 176.333 176.333 175.988 0.345 19752 12385 1 18 . 1 1 55 55 ASN CA C 55 53.589 53.589 52.697 0.892 19752 12386 1 18 . 1 1 55 55 ASN CB C 55 38.645 38.645 40.033 -1.388 19752 12387 1 18 . 1 1 55 55 ASN H H 55 8.970 8.970 8.146 0.824 19752 12388 1 18 . 1 1 56 56 GLY N N 56 114.389 114.389 112.140 2.249 19752 12389 1 18 . 1 1 56 56 GLY C C 56 173.882 173.882 174.193 -0.311 19752 12390 1 18 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.974 -1.298 19752 12391 1 18 . 1 1 56 56 GLY H H 56 8.360 8.360 8.283 0.077 19752 12392 1 18 . 1 1 57 57 ASN N N 57 115.511 115.511 116.056 -0.545 19752 12393 1 18 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.702 -0.191 19752 12394 1 18 . 1 1 57 57 ASN C C 57 174.741 174.741 174.718 0.023 19752 12395 1 18 . 1 1 57 57 ASN CA C 57 54.213 54.213 52.999 1.214 19752 12396 1 18 . 1 1 57 57 ASN CB C 57 38.629 38.629 38.789 -0.160 19752 12397 1 18 . 1 1 57 57 ASN H H 57 8.149 8.149 8.536 -0.387 19752 12398 1 18 . 1 1 58 58 GLN N N 58 118.128 118.128 118.041 0.087 19752 12399 1 18 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.816 0.144 19752 12400 1 18 . 1 1 58 58 GLN C C 58 172.603 172.603 173.217 -0.614 19752 12401 1 18 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.540 0.093 19752 12402 1 18 . 1 1 58 58 GLN CB C 58 30.568 30.568 30.052 0.516 19752 12403 1 18 . 1 1 58 58 GLN H H 58 7.702 7.702 7.793 -0.091 19752 12404 1 18 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.742 0.198 19752 12405 1 18 . 1 1 59 59 PRO C C 59 176.506 176.506 176.141 0.365 19752 12406 1 18 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.580 -0.324 19752 12407 1 18 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.420 0.240 19752 12408 1 18 . 1 1 60 60 ILE N N 60 120.974 120.974 124.381 -3.407 19752 12409 1 18 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.315 -0.041 19752 12410 1 18 . 1 1 60 60 ILE C C 60 175.190 175.190 175.140 0.050 19752 12411 1 18 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.202 0.485 19752 12412 1 18 . 1 1 60 60 ILE CB C 60 42.745 42.745 41.209 1.536 19752 12413 1 18 . 1 1 60 60 ILE H H 60 8.126 8.126 8.939 -0.813 19752 12414 1 18 . 1 1 61 61 VAL N N 61 128.224 128.224 123.579 4.645 19752 12415 1 18 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.695 -0.582 19752 12416 1 18 . 1 1 61 61 VAL C C 61 175.973 175.973 175.777 0.196 19752 12417 1 18 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.512 2.764 19752 12418 1 18 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.390 -0.460 19752 12419 1 18 . 1 1 61 61 VAL H H 61 8.421 8.421 8.542 -0.121 19752 12420 1 18 . 1 1 62 62 THR N N 62 118.454 118.454 116.654 1.800 19752 12421 1 18 . 1 1 62 62 THR HA H 62 5.021 5.021 4.917 0.104 19752 12422 1 18 . 1 1 62 62 THR C C 62 174.936 174.936 174.011 0.925 19752 12423 1 18 . 1 1 62 62 THR CA C 62 61.286 61.286 60.175 1.111 19752 12424 1 18 . 1 1 62 62 THR CB C 62 71.133 71.133 72.141 -1.008 19752 12425 1 18 . 1 1 62 62 THR H H 62 7.989 7.989 9.051 -1.062 19752 12426 1 18 . 1 1 63 63 ARG N N 63 118.225 118.225 119.756 -1.531 19752 12427 1 18 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.489 -0.060 19752 12428 1 18 . 1 1 63 63 ARG C C 63 175.607 175.607 175.303 0.304 19752 12429 1 18 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.401 -0.754 19752 12430 1 18 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.909 0.694 19752 12431 1 18 . 1 1 63 63 ARG H H 63 9.336 9.336 8.961 0.375 19752 12432 1 18 . 1 1 64 64 ILE N N 64 119.746 119.746 121.129 -1.383 19752 12433 1 18 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.203 0.262 19752 12434 1 18 . 1 1 64 64 ILE C C 64 179.206 179.206 177.278 1.928 19752 12435 1 18 . 1 1 64 64 ILE CA C 64 60.189 60.189 60.936 -0.747 19752 12436 1 18 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.871 -0.623 19752 12437 1 18 . 1 1 64 64 ILE H H 64 8.741 8.741 8.562 0.179 19752 12438 1 18 . 1 1 65 65 GLY N N 65 116.059 116.059 115.953 0.106 19752 12439 1 18 . 1 1 65 65 GLY C C 65 174.185 174.185 173.404 0.781 19752 12440 1 18 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.412 1.259 19752 12441 1 18 . 1 1 65 65 GLY H H 65 9.316 9.316 9.287 0.029 19752 12442 1 18 . 1 1 66 66 SER N N 66 114.840 114.840 113.914 0.926 19752 12443 1 18 . 1 1 66 66 SER HA H 66 4.160 4.160 4.031 0.129 19752 12444 1 18 . 1 1 66 66 SER C C 66 170.281 170.281 171.262 -0.981 19752 12445 1 18 . 1 1 66 66 SER CA C 66 56.207 56.207 55.478 0.729 19752 12446 1 18 . 1 1 66 66 SER CB C 66 63.737 63.737 65.573 -1.836 19752 12447 1 18 . 1 1 66 66 SER H H 66 7.412 7.412 7.524 -0.112 19752 12448 1 18 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.585 -0.946 19752 12449 1 18 . 1 1 67 67 PRO C C 67 170.030 170.030 173.984 -3.954 19752 12450 1 18 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.644 -1.974 19752 12451 1 18 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.140 -5.230 19752 12452 1 18 . 1 1 68 68 PHE N N 68 111.778 111.778 119.161 -7.383 19752 12453 1 18 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.409 0.084 19752 12454 1 18 . 1 1 68 68 PHE C C 68 177.055 177.055 174.905 2.150 19752 12455 1 18 . 1 1 68 68 PHE CA C 68 55.628 55.628 57.079 -1.451 19752 12456 1 18 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.749 1.609 19752 12457 1 18 . 1 1 68 68 PHE H H 68 6.610 6.610 7.130 -0.520 19752 12458 1 18 . 1 1 69 69 LEU N N 69 119.491 119.491 121.131 -1.640 19752 12459 1 18 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.423 -0.110 19752 12460 1 18 . 1 1 69 69 LEU C C 69 176.326 176.326 177.422 -1.096 19752 12461 1 18 . 1 1 69 69 LEU CA C 69 56.231 56.231 56.397 -0.166 19752 12462 1 18 . 1 1 69 69 LEU CB C 69 40.870 40.870 42.118 -1.248 19752 12463 1 18 . 1 1 69 69 LEU H H 69 8.388 8.388 8.828 -0.440 19752 12464 1 18 . 1 1 70 70 ASN N N 70 112.229 112.229 116.344 -4.115 19752 12465 1 18 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.680 0.162 19752 12466 1 18 . 1 1 70 70 ASN C C 70 175.620 175.620 174.694 0.926 19752 12467 1 18 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.981 -1.313 19752 12468 1 18 . 1 1 70 70 ASN CB C 70 37.653 37.653 38.843 -1.190 19752 12469 1 18 . 1 1 70 70 ASN H H 70 7.675 7.675 8.115 -0.440 19752 12470 1 18 . 1 1 71 71 ALA N N 71 123.955 123.955 124.196 -0.241 19752 12471 1 18 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.482 0.077 19752 12472 1 18 . 1 1 71 71 ALA C C 71 174.274 174.274 175.447 -1.173 19752 12473 1 18 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.849 0.621 19752 12474 1 18 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.147 -0.304 19752 12475 1 18 . 1 1 71 71 ALA H H 71 7.152 7.152 7.540 -0.389 19752 12476 1 18 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.341 0.072 19752 12477 1 18 . 1 1 72 72 PRO C C 72 176.342 176.342 175.699 0.643 19752 12478 1 18 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.791 -0.673 19752 12479 1 18 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.780 0.376 19752 12480 1 18 . 1 1 73 73 VAL N N 73 121.078 121.078 124.005 -2.927 19752 12481 1 18 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.648 -0.364 19752 12482 1 18 . 1 1 73 73 VAL C C 73 177.864 177.864 177.041 0.823 19752 12483 1 18 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.865 2.412 19752 12484 1 18 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.577 -1.853 19752 12485 1 18 . 1 1 73 73 VAL H H 73 8.328 8.328 8.193 0.135 19752 12486 1 18 . 1 1 74 74 GLY N N 74 114.118 114.118 110.223 3.895 19752 12487 1 18 . 1 1 74 74 GLY C C 74 173.963 173.963 173.631 0.332 19752 12488 1 18 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.774 0.011 19752 12489 1 18 . 1 1 74 74 GLY H H 74 8.781 8.781 8.665 0.116 19752 12490 1 18 . 1 1 75 75 GLY N N 75 107.324 107.324 110.260 -2.936 19752 12491 1 18 . 1 1 75 75 GLY C C 75 173.460 173.460 172.373 1.087 19752 12492 1 18 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.318 -0.570 19752 12493 1 18 . 1 1 75 75 GLY H H 75 7.278 7.278 7.689 -0.411 19752 12494 1 18 . 1 1 76 76 ASN N N 76 119.682 119.682 122.605 -2.923 19752 12495 1 18 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.156 0.266 19752 12496 1 18 . 1 1 76 76 ASN C C 76 175.760 175.760 173.715 2.045 19752 12497 1 18 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.312 -0.035 19752 12498 1 18 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.751 -2.538 19752 12499 1 18 . 1 1 76 76 ASN H H 76 8.797 8.797 8.647 0.150 19752 12500 1 18 . 1 1 77 77 LEU N N 77 129.545 129.545 124.983 4.562 19752 12501 1 18 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.086 -0.215 19752 12502 1 18 . 1 1 77 77 LEU C C 77 174.374 174.374 174.328 0.046 19752 12503 1 18 . 1 1 77 77 LEU CA C 77 52.214 52.214 50.901 1.313 19752 12504 1 18 . 1 1 77 77 LEU CB C 77 43.071 43.071 45.155 -2.084 19752 12505 1 18 . 1 1 77 77 LEU H H 77 10.083 10.083 8.874 1.209 19752 12506 1 18 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.563 -0.234 19752 12507 1 18 . 1 1 78 78 PRO C C 78 177.553 177.553 176.023 1.530 19752 12508 1 18 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.051 0.530 19752 12509 1 18 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.753 -0.032 19752 12510 1 18 . 1 1 79 79 ALA N N 79 125.294 125.294 121.707 3.587 19752 12511 1 18 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.040 0.220 19752 12512 1 18 . 1 1 79 79 ALA C C 79 179.984 179.984 178.275 1.709 19752 12513 1 18 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.606 0.572 19752 12514 1 18 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.892 -0.646 19752 12515 1 18 . 1 1 79 79 ALA H H 79 8.585 8.585 8.156 0.429 19752 12516 1 18 . 1 1 80 80 GLY N N 80 110.970 110.970 110.715 0.255 19752 12517 1 18 . 1 1 80 80 GLY C C 80 173.499 173.499 174.019 -0.520 19752 12518 1 18 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.824 1.131 19752 12519 1 18 . 1 1 80 80 GLY H H 80 8.004 8.004 8.309 -0.305 19752 12520 1 18 . 1 1 81 81 ALA N N 81 122.249 122.249 123.906 -1.657 19752 12521 1 18 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.396 -0.145 19752 12522 1 18 . 1 1 81 81 ALA C C 81 175.709 175.709 176.154 -0.445 19752 12523 1 18 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.285 0.480 19752 12524 1 18 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.481 1.372 19752 12525 1 18 . 1 1 81 81 ALA H H 81 7.363 7.363 7.298 0.065 19752 12526 1 18 . 1 1 82 82 THR N N 82 114.980 114.980 120.804 -5.824 19752 12527 1 18 . 1 1 82 82 THR HA H 82 5.171 5.171 4.944 0.227 19752 12528 1 18 . 1 1 82 82 THR C C 82 174.618 174.618 173.776 0.842 19752 12529 1 18 . 1 1 82 82 THR CA C 82 62.118 62.118 62.398 -0.280 19752 12530 1 18 . 1 1 82 82 THR CB C 82 70.555 70.555 69.230 1.325 19752 12531 1 18 . 1 1 82 82 THR H H 82 8.181 8.181 8.405 -0.224 19752 12532 1 18 . 1 1 83 83 ILE N N 83 127.480 127.480 128.502 -1.022 19752 12533 1 18 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.491 -0.087 19752 12534 1 18 . 1 1 83 83 ILE C C 83 173.926 173.926 174.182 -0.256 19752 12535 1 18 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.867 -0.528 19752 12536 1 18 . 1 1 83 83 ILE CB C 83 42.228 42.228 41.444 0.784 19752 12537 1 18 . 1 1 83 83 ILE H H 83 9.627 9.627 9.315 0.312 19752 12538 1 18 . 1 1 84 84 VAL N N 84 128.246 128.246 128.198 0.048 19752 12539 1 18 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.499 0.174 19752 12540 1 18 . 1 1 84 84 VAL C C 84 175.501 175.501 175.187 0.314 19752 12541 1 18 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.653 1.482 19752 12542 1 18 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.942 -1.286 19752 12543 1 18 . 1 1 84 84 VAL H H 84 8.059 8.059 8.538 -0.479 19752 12544 1 18 . 1 1 85 85 TYR N N 85 126.862 126.862 125.957 0.905 19752 12545 1 18 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.975 0.450 19752 12546 1 18 . 1 1 85 85 TYR C C 85 174.273 174.273 174.391 -0.118 19752 12547 1 18 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.682 0.129 19752 12548 1 18 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.315 1.961 19752 12549 1 18 . 1 1 85 85 TYR H H 85 8.840 8.840 8.666 0.174 19752 12550 1 18 . 1 1 86 86 ASP N N 86 115.086 115.086 119.602 -4.516 19752 12551 1 18 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.750 0.718 19752 12552 1 18 . 1 1 86 86 ASP C C 86 177.943 177.943 176.311 1.632 19752 12553 1 18 . 1 1 86 86 ASP CA C 86 54.203 54.203 54.032 0.171 19752 12554 1 18 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.680 0.895 19752 12555 1 18 . 1 1 86 86 ASP H H 86 8.843 8.843 8.639 0.204 19752 12556 1 18 . 1 1 87 87 GLU N N 87 124.208 124.208 119.569 4.639 19752 12557 1 18 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.066 0.049 19752 12558 1 18 . 1 1 87 87 GLU C C 87 173.613 173.613 174.331 -0.718 19752 12559 1 18 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.706 0.066 19752 12560 1 18 . 1 1 87 87 GLU CB C 87 35.507 35.507 34.000 1.507 19752 12561 1 18 . 1 1 87 87 GLU H H 87 8.121 8.121 7.854 0.267 19752 12562 1 18 . 1 1 88 88 VAL N N 88 121.754 121.754 125.810 -4.056 19752 12563 1 18 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.821 0.893 19752 12564 1 18 . 1 1 88 88 VAL C C 88 175.480 175.480 174.872 0.608 19752 12565 1 18 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.388 -1.618 19752 12566 1 18 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.508 1.136 19752 12567 1 18 . 1 1 88 88 VAL H H 88 8.822 8.822 9.130 -0.308 19752 12568 1 18 . 1 1 89 89 CYS N N 89 118.234 118.234 125.861 -7.627 19752 12569 1 18 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.799 0.500 19752 12570 1 18 . 1 1 89 89 CYS C C 89 174.126 174.126 174.069 0.057 19752 12571 1 18 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.758 -0.673 19752 12572 1 18 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.069 2.035 19752 12573 1 18 . 1 1 89 89 CYS H H 89 9.404 9.404 9.569 -0.165 19752 12574 1 18 . 1 1 90 90 ILE N N 90 122.085 122.085 124.634 -2.549 19752 12575 1 18 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.464 0.769 19752 12576 1 18 . 1 1 90 90 ILE C C 90 176.210 176.210 174.354 1.856 19752 12577 1 18 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.946 0.613 19752 12578 1 18 . 1 1 90 90 ILE CB C 90 41.489 41.489 38.992 2.497 19752 12579 1 18 . 1 1 90 90 ILE H H 90 9.773 9.773 9.487 0.286 19752 12580 1 18 . 1 1 91 91 GLN N N 91 125.884 125.884 128.114 -2.230 19752 12581 1 18 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.787 -0.168 19752 12582 1 18 . 1 1 91 91 GLN C C 91 176.019 176.019 174.140 1.879 19752 12583 1 18 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.645 1.577 19752 12584 1 18 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.683 -0.490 19752 12585 1 18 . 1 1 91 91 GLN H H 91 8.910 8.910 8.488 0.422 19752 12586 1 18 . 1 1 92 92 ALA N N 92 131.300 131.300 129.444 1.856 19752 12587 1 18 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.164 0.360 19752 12588 1 18 . 1 1 92 92 ALA C C 92 178.514 178.514 177.792 0.722 19752 12589 1 18 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.825 -0.359 19752 12590 1 18 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.031 0.238 19752 12591 1 18 . 1 1 92 92 ALA H H 92 9.888 9.888 8.770 1.118 19752 12592 1 18 . 1 1 93 93 GLY N N 93 107.622 107.622 113.522 -5.900 19752 12593 1 18 . 1 1 93 93 GLY C C 93 174.796 174.796 173.475 1.321 19752 12594 1 18 . 1 1 93 93 GLY CA C 93 46.470 46.470 45.167 1.303 19752 12595 1 18 . 1 1 93 93 GLY H H 93 9.675 9.675 8.598 1.077 19752 12596 1 18 . 1 1 94 94 HIS N N 94 118.233 118.233 120.201 -1.968 19752 12597 1 18 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.123 -0.297 19752 12598 1 18 . 1 1 94 94 HIS C C 94 173.575 173.575 172.684 0.891 19752 12599 1 18 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.833 0.387 19752 12600 1 18 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.163 -2.430 19752 12601 1 18 . 1 1 94 94 HIS H H 94 8.337 8.337 8.487 -0.150 19752 12602 1 18 . 1 1 95 95 ILE N N 95 118.964 118.964 121.704 -2.740 19752 12603 1 18 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.399 0.812 19752 12604 1 18 . 1 1 95 95 ILE C C 95 174.555 174.555 173.764 0.791 19752 12605 1 18 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.103 0.879 19752 12606 1 18 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.091 -1.308 19752 12607 1 18 . 1 1 95 95 ILE H H 95 8.116 8.116 8.028 0.088 19752 12608 1 18 . 1 1 96 96 TRP N N 96 127.092 127.092 129.548 -2.456 19752 12609 1 18 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.545 -0.068 19752 12610 1 18 . 1 1 96 96 TRP C C 96 176.216 176.216 176.185 0.031 19752 12611 1 18 . 1 1 96 96 TRP CA C 96 54.243 54.243 54.949 -0.706 19752 12612 1 18 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.463 0.305 19752 12613 1 18 . 1 1 96 96 TRP H H 96 9.869 9.869 9.281 0.588 19752 12614 1 18 . 1 1 97 97 ILE N N 97 113.283 113.283 119.528 -6.245 19752 12615 1 18 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.087 0.385 19752 12616 1 18 . 1 1 97 97 ILE C C 97 175.278 175.278 175.522 -0.244 19752 12617 1 18 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.355 -0.171 19752 12618 1 18 . 1 1 97 97 ILE CB C 97 39.649 39.649 38.603 1.046 19752 12619 1 18 . 1 1 97 97 ILE H H 97 8.893 8.893 8.994 -0.101 19752 12620 1 18 . 1 1 98 98 GLY N N 98 109.684 109.684 114.650 -4.966 19752 12621 1 18 . 1 1 98 98 GLY C C 98 172.048 172.048 172.626 -0.578 19752 12622 1 18 . 1 1 98 98 GLY CA C 98 45.120 45.120 44.105 1.015 19752 12623 1 18 . 1 1 98 98 GLY H H 98 9.043 9.043 8.912 0.131 19752 12624 1 18 . 1 1 99 99 TYR N N 99 117.809 117.809 120.416 -2.607 19752 12625 1 18 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.937 -0.029 19752 12626 1 18 . 1 1 99 99 TYR C C 99 172.626 172.626 173.468 -0.842 19752 12627 1 18 . 1 1 99 99 TYR CA C 99 56.259 56.259 54.842 1.417 19752 12628 1 18 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.993 -0.846 19752 12629 1 18 . 1 1 99 99 TYR H H 99 8.434 8.434 8.261 0.173 19752 12630 1 18 . 1 1 100 100 ASN N N 100 117.139 117.139 121.134 -3.995 19752 12631 1 18 . 1 1 100 100 ASN HA H 100 5.286 5.286 4.899 0.387 19752 12632 1 18 . 1 1 100 100 ASN C C 100 175.315 175.315 175.267 0.048 19752 12633 1 18 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.789 -0.803 19752 12634 1 18 . 1 1 100 100 ASN CB C 100 39.375 39.375 39.785 -0.410 19752 12635 1 18 . 1 1 100 100 ASN H H 100 8.844 8.844 8.584 0.260 19752 12636 1 18 . 1 1 101 101 ALA N N 101 126.218 126.218 129.143 -2.925 19752 12637 1 18 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.716 -0.079 19752 12638 1 18 . 1 1 101 101 ALA C C 101 179.095 179.095 178.625 0.470 19752 12639 1 18 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.908 0.304 19752 12640 1 18 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.014 0.628 19752 12641 1 18 . 1 1 101 101 ALA H H 101 8.870 8.870 9.067 -0.197 19752 12642 1 18 . 1 1 102 102 TYR N N 102 121.067 121.067 117.701 3.366 19752 12643 1 18 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.378 -0.039 19752 12644 1 18 . 1 1 102 102 TYR C C 102 175.986 175.986 176.026 -0.040 19752 12645 1 18 . 1 1 102 102 TYR CA C 102 60.144 60.144 59.217 0.928 19752 12646 1 18 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.695 -0.042 19752 12647 1 18 . 1 1 102 102 TYR H H 102 8.720 8.720 8.574 0.146 19752 12648 1 18 . 1 1 103 103 ASN N N 103 115.289 115.289 118.253 -2.964 19752 12649 1 18 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.740 -0.328 19752 12650 1 18 . 1 1 103 103 ASN C C 103 175.963 175.963 176.212 -0.249 19752 12651 1 18 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.861 -0.615 19752 12652 1 18 . 1 1 103 103 ASN CB C 103 37.245 37.245 39.114 -1.869 19752 12653 1 18 . 1 1 103 103 ASN H H 103 7.490 7.490 7.795 -0.305 19752 12654 1 18 . 1 1 104 104 GLY N N 104 107.204 107.204 106.850 0.354 19752 12655 1 18 . 1 1 104 104 GLY C C 104 174.620 174.620 172.926 1.694 19752 12656 1 18 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.069 0.059 19752 12657 1 18 . 1 1 104 104 GLY H H 104 8.020 8.020 8.328 -0.308 19752 12658 1 18 . 1 1 105 105 ASN N N 105 118.581 118.581 117.223 1.358 19752 12659 1 18 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.673 -0.097 19752 12660 1 18 . 1 1 105 105 ASN C C 105 173.805 173.805 174.413 -0.608 19752 12661 1 18 . 1 1 105 105 ASN CA C 105 53.030 53.030 51.426 1.604 19752 12662 1 18 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.085 -0.101 19752 12663 1 18 . 1 1 105 105 ASN H H 105 7.703 7.703 7.887 -0.184 19752 12664 1 18 . 1 1 106 106 ARG N N 106 123.191 123.191 121.968 1.223 19752 12665 1 18 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.611 -0.047 19752 12666 1 18 . 1 1 106 106 ARG C C 106 174.360 174.360 175.125 -0.765 19752 12667 1 18 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.706 -1.044 19752 12668 1 18 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.656 0.951 19752 12669 1 18 . 1 1 106 106 ARG H H 106 8.635 8.635 8.608 0.027 19752 12670 1 18 . 1 1 107 107 VAL N N 107 128.482 128.482 126.763 1.719 19752 12671 1 18 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.523 0.030 19752 12672 1 18 . 1 1 107 107 VAL C C 107 172.290 172.290 173.976 -1.686 19752 12673 1 18 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.834 -0.151 19752 12674 1 18 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.160 0.318 19752 12675 1 18 . 1 1 107 107 VAL H H 107 8.668 8.668 8.487 0.181 19752 12676 1 18 . 1 1 108 108 TYR N N 108 119.055 119.055 123.299 -4.244 19752 12677 1 18 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.596 -0.103 19752 12678 1 18 . 1 1 108 108 TYR C C 108 175.215 175.215 175.403 -0.188 19752 12679 1 18 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.282 0.290 19752 12680 1 18 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.135 1.300 19752 12681 1 18 . 1 1 108 108 TYR H H 108 8.944 8.944 9.248 -0.304 19752 12682 1 18 . 1 1 109 109 CYS N N 109 124.377 124.377 122.637 1.740 19752 12683 1 18 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.117 0.328 19752 12684 1 18 . 1 1 109 109 CYS C C 109 171.899 171.899 173.551 -1.652 19752 12685 1 18 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.491 -1.326 19752 12686 1 18 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.175 -1.372 19752 12687 1 18 . 1 1 109 109 CYS H H 109 9.675 9.675 8.939 0.736 19752 12688 1 18 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.207 0.972 19752 12689 1 18 . 1 1 110 110 PRO C C 110 175.490 175.490 177.113 -1.623 19752 12690 1 18 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.959 -1.361 19752 12691 1 18 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.906 -1.450 19752 12692 1 18 . 1 1 111 111 VAL N N 111 109.293 109.293 111.897 -2.604 19752 12693 1 18 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.500 0.909 19752 12694 1 18 . 1 1 111 111 VAL C C 111 173.598 173.598 174.206 -0.608 19752 12695 1 18 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.110 -4.017 19752 12696 1 18 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.781 3.740 19752 12697 1 18 . 1 1 111 111 VAL H H 111 8.382 8.382 7.582 0.800 19752 12698 1 18 . 1 1 112 112 ARG N N 112 110.825 110.825 115.149 -4.324 19752 12699 1 18 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.579 -1.421 19752 12700 1 18 . 1 1 112 112 ARG C C 112 175.480 175.480 175.041 0.439 19752 12701 1 18 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.813 0.636 19752 12702 1 18 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.481 -1.335 19752 12703 1 18 . 1 1 112 112 ARG H H 112 6.735 6.735 7.897 -1.162 19752 12704 1 18 . 1 1 113 113 THR N N 113 111.002 111.002 118.207 -7.205 19752 12705 1 18 . 1 1 113 113 THR HA H 113 4.238 4.238 3.767 0.471 19752 12706 1 18 . 1 1 113 113 THR C C 113 174.123 174.123 173.782 0.341 19752 12707 1 18 . 1 1 113 113 THR CA C 113 62.468 62.468 64.284 -1.817 19752 12708 1 18 . 1 1 113 113 THR CB C 113 70.502 70.502 68.892 1.610 19752 12709 1 18 . 1 1 113 113 THR H H 113 8.898 8.898 7.722 1.176 19752 12710 1 18 . 1 1 114 114 CYS N N 114 119.522 119.522 123.787 -4.265 19752 12711 1 18 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.338 -0.823 19752 12712 1 18 . 1 1 114 114 CYS C C 114 172.669 172.669 172.990 -0.321 19752 12713 1 18 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.813 1.804 19752 12714 1 18 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.639 -2.094 19752 12715 1 18 . 1 1 114 114 CYS H H 114 7.936 7.936 8.486 -0.550 19752 12716 1 18 . 1 1 115 115 GLN N N 115 129.342 129.342 123.487 5.855 19752 12717 1 18 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.589 0.039 19752 12718 1 18 . 1 1 115 115 GLN C C 115 175.456 175.456 174.406 1.050 19752 12719 1 18 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.629 -0.387 19752 12720 1 18 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.712 -0.536 19752 12721 1 18 . 1 1 115 115 GLN H H 115 7.963 7.963 8.846 -0.883 19752 12722 1 18 . 1 1 116 116 GLY N N 116 112.311 112.311 109.570 2.741 19752 12723 1 18 . 1 1 116 116 GLY C C 116 171.907 171.907 171.948 -0.041 19752 12724 1 18 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.586 -1.369 19752 12725 1 18 . 1 1 116 116 GLY H H 116 8.591 8.591 8.284 0.307 19752 12726 1 18 . 1 1 117 117 VAL N N 117 110.113 110.113 119.478 -9.365 19752 12727 1 18 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.141 -0.003 19752 12728 1 18 . 1 1 117 117 VAL C C 117 171.857 171.857 173.577 -1.720 19752 12729 1 18 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.255 -0.298 19752 12730 1 18 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.797 -2.248 19752 12731 1 18 . 1 1 117 117 VAL H H 117 7.745 7.745 7.697 0.048 19752 12732 1 18 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.888 0.608 19752 12733 1 18 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.429 -0.939 19752 12734 1 18 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.779 -1.019 19752 12735 1 18 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.156 0.220 19752 12736 1 18 . 1 1 119 119 PRO C C 119 176.006 176.006 176.432 -0.426 19752 12737 1 18 . 1 1 119 119 PRO CA C 119 64.156 64.156 63.637 0.519 19752 12738 1 18 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.598 1.437 19752 12739 1 18 . 1 1 120 120 ASN N N 120 124.472 124.472 119.778 4.694 19752 12740 1 18 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.613 0.291 19752 12741 1 18 . 1 1 120 120 ASN C C 120 172.963 172.963 173.768 -0.805 19752 12742 1 18 . 1 1 120 120 ASN CA C 120 53.115 53.115 53.058 0.057 19752 12743 1 18 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.342 0.885 19752 12744 1 18 . 1 1 120 120 ASN H H 120 8.414 8.414 7.733 0.681 19752 12745 1 18 . 1 1 121 121 HIS N N 121 120.276 120.276 119.581 0.695 19752 12746 1 18 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.830 -0.403 19752 12747 1 18 . 1 1 121 121 HIS C C 121 174.788 174.788 174.143 0.645 19752 12748 1 18 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.686 2.014 19752 12749 1 18 . 1 1 121 121 HIS CB C 121 30.708 30.708 29.537 1.171 19752 12750 1 18 . 1 1 121 121 HIS H H 121 8.591 8.591 7.902 0.689 19752 12751 1 18 . 1 1 122 122 ILE N N 122 120.474 120.474 126.533 -6.059 19752 12752 1 18 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.359 -0.014 19752 12753 1 18 . 1 1 122 122 ILE C C 122 174.718 174.718 174.590 0.128 19752 12754 1 18 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.415 -0.285 19752 12755 1 18 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.176 1.593 19752 12756 1 18 . 1 1 122 122 ILE H H 122 8.883 8.883 8.177 0.706 19752 12757 1 18 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.371 -0.875 19752 12758 1 18 . 1 1 123 123 PRO C C 123 177.104 177.104 176.106 0.998 19752 12759 1 18 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.708 0.899 19752 12760 1 18 . 1 1 123 123 PRO CB C 123 32.529 32.529 33.185 -0.656 19752 12761 1 18 . 1 1 124 124 GLY N N 124 111.030 111.030 107.151 3.879 19752 12762 1 18 . 1 1 124 124 GLY C C 124 173.906 173.906 173.175 0.731 19752 12763 1 18 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.624 -1.507 19752 12764 1 18 . 1 1 124 124 GLY H H 124 8.553 8.553 8.201 0.352 19752 12765 1 18 . 1 1 125 125 VAL N N 125 121.916 121.916 122.603 -0.687 19752 12766 1 18 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.931 -0.011 19752 12767 1 18 . 1 1 125 125 VAL C C 125 176.148 176.148 174.926 1.222 19752 12768 1 18 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.619 1.019 19752 12769 1 18 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.136 -0.018 19752 12770 1 18 . 1 1 125 125 VAL H H 125 8.493 8.493 8.164 0.329 19752 12771 1 18 . 1 1 126 126 ALA N N 126 127.872 127.872 129.787 -1.915 19752 12772 1 18 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.481 0.009 19752 12773 1 18 . 1 1 126 126 ALA C C 126 179.447 179.447 177.174 2.273 19752 12774 1 18 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.893 1.776 19752 12775 1 18 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.779 -0.151 19752 12776 1 18 . 1 1 126 126 ALA H H 126 8.835 8.835 8.437 0.398 19752 12777 1 18 . 1 1 127 127 TRP N N 127 121.928 121.928 122.745 -0.817 19752 12778 1 18 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.949 0.164 19752 12779 1 18 . 1 1 127 127 TRP C C 127 174.684 174.684 175.693 -1.009 19752 12780 1 18 . 1 1 127 127 TRP CA C 127 55.629 55.629 55.877 -0.248 19752 12781 1 18 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.317 -2.163 19752 12782 1 18 . 1 1 127 127 TRP H H 127 8.555 8.555 8.680 -0.125 19752 12783 1 18 . 1 1 128 128 GLY N N 128 103.981 103.981 105.709 -1.728 19752 12784 1 18 . 1 1 128 128 GLY C C 128 171.694 171.694 172.521 -0.827 19752 12785 1 18 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.730 0.959 19752 12786 1 18 . 1 1 128 128 GLY H H 128 7.280 7.280 7.585 -0.305 19752 12787 1 18 . 1 1 129 129 VAL N N 129 119.078 119.078 120.114 -1.036 19752 12788 1 18 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.390 -0.047 19752 12789 1 18 . 1 1 129 129 VAL C C 129 173.255 173.255 174.690 -1.435 19752 12790 1 18 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.175 -0.514 19752 12791 1 18 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.350 1.201 19752 12792 1 18 . 1 1 129 129 VAL H H 129 8.274 8.274 8.419 -0.145 19752 12793 1 18 . 1 1 130 130 PHE N N 130 122.633 122.633 125.000 -2.367 19752 12794 1 18 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.514 0.030 19752 12795 1 18 . 1 1 130 130 PHE C C 130 175.771 175.771 175.507 0.264 19752 12796 1 18 . 1 1 130 130 PHE CA C 130 57.176 57.176 56.897 0.279 19752 12797 1 18 . 1 1 130 130 PHE CB C 130 40.670 40.670 41.471 -0.801 19752 12798 1 18 . 1 1 130 130 PHE H H 130 8.464 8.464 8.725 -0.261 19752 12799 1 19 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.607 0.159 19752 12800 1 19 . 1 1 2 2 ASN C C 2 174.930 174.930 175.709 -0.779 19752 12801 1 19 . 1 1 2 2 ASN CA C 2 53.209 53.209 54.422 -1.213 19752 12802 1 19 . 1 1 2 2 ASN CB C 2 39.213 39.213 38.820 0.393 19752 12803 1 19 . 1 1 3 3 ALA N N 3 124.643 124.643 122.849 1.794 19752 12804 1 19 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.429 -0.165 19752 12805 1 19 . 1 1 3 3 ALA C C 3 177.790 177.790 177.176 0.614 19752 12806 1 19 . 1 1 3 3 ALA CA C 3 52.837 52.837 51.939 0.898 19752 12807 1 19 . 1 1 3 3 ALA CB C 3 19.240 19.240 18.209 1.031 19752 12808 1 19 . 1 1 3 3 ALA H H 3 8.386 8.386 8.014 0.371 19752 12809 1 19 . 1 1 4 4 LYS N N 4 120.203 120.203 122.216 -2.013 19752 12810 1 19 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.140 0.083 19752 12811 1 19 . 1 1 4 4 LYS C C 4 176.230 176.230 176.363 -0.133 19752 12812 1 19 . 1 1 4 4 LYS CA C 4 56.534 56.534 57.507 -0.973 19752 12813 1 19 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.805 0.006 19752 12814 1 19 . 1 1 4 4 LYS H H 4 8.300 8.300 8.398 -0.098 19752 12815 1 19 . 1 1 5 5 ASN N N 5 119.229 119.229 116.167 3.062 19752 12816 1 19 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.953 -0.285 19752 12817 1 19 . 1 1 5 5 ASN C C 5 175.033 175.033 174.161 0.872 19752 12818 1 19 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.331 0.794 19752 12819 1 19 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.892 -1.115 19752 12820 1 19 . 1 1 5 5 ASN H H 5 8.320 8.320 8.056 0.264 19752 12821 1 19 . 1 1 6 6 TYR N N 6 120.593 120.593 124.396 -3.803 19752 12822 1 19 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.447 0.063 19752 12823 1 19 . 1 1 6 6 TYR C C 6 175.554 175.554 177.008 -1.454 19752 12824 1 19 . 1 1 6 6 TYR CA C 6 58.213 58.213 60.344 -2.131 19752 12825 1 19 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.068 -0.467 19752 12826 1 19 . 1 1 6 6 TYR H H 6 8.087 8.087 8.508 -0.421 19752 12827 1 19 . 1 1 7 7 MET N N 7 121.477 121.477 116.945 4.532 19752 12828 1 19 . 1 1 7 7 MET HA H 7 4.391 4.391 4.619 -0.228 19752 12829 1 19 . 1 1 7 7 MET C C 7 175.609 175.609 175.117 0.492 19752 12830 1 19 . 1 1 7 7 MET CA C 7 55.494 55.494 55.861 -0.367 19752 12831 1 19 . 1 1 7 7 MET CB C 7 32.970 32.970 33.076 -0.106 19752 12832 1 19 . 1 1 7 7 MET H H 7 8.121 8.121 8.175 -0.054 19752 12833 1 19 . 1 1 8 8 ASP N N 8 121.704 121.704 120.323 1.381 19752 12834 1 19 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.420 0.135 19752 12835 1 19 . 1 1 8 8 ASP C C 8 176.344 176.344 174.420 1.924 19752 12836 1 19 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.462 0.009 19752 12837 1 19 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.121 0.201 19752 12838 1 19 . 1 1 8 8 ASP H H 8 8.189 8.189 8.237 -0.048 19752 12839 1 19 . 1 1 9 9 LYS N N 9 122.168 122.168 125.661 -3.493 19752 12840 1 19 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.577 -0.270 19752 12841 1 19 . 1 1 9 9 LYS C C 9 177.267 177.267 175.965 1.302 19752 12842 1 19 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.082 1.540 19752 12843 1 19 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.667 0.098 19752 12844 1 19 . 1 1 9 9 LYS H H 9 8.335 8.335 8.296 0.039 19752 12845 1 19 . 1 1 10 10 GLY N N 10 109.505 109.505 114.105 -4.600 19752 12846 1 19 . 1 1 10 10 GLY C C 10 174.568 174.568 173.771 0.797 19752 12847 1 19 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.464 0.119 19752 12848 1 19 . 1 1 10 10 GLY H H 10 8.497 8.497 8.585 -0.088 19752 12849 1 19 . 1 1 11 11 THR N N 11 113.312 113.312 112.994 0.318 19752 12850 1 19 . 1 1 11 11 THR HA H 11 4.396 4.396 4.524 -0.128 19752 12851 1 19 . 1 1 11 11 THR C C 11 174.719 174.719 173.984 0.735 19752 12852 1 19 . 1 1 11 11 THR CA C 11 61.779 61.779 61.763 0.016 19752 12853 1 19 . 1 1 11 11 THR CB C 11 69.963 69.963 69.762 0.201 19752 12854 1 19 . 1 1 11 11 THR H H 11 8.081 8.081 7.574 0.507 19752 12855 1 19 . 1 1 12 12 SER N N 12 118.272 118.272 121.837 -3.565 19752 12856 1 19 . 1 1 12 12 SER HA H 12 4.499 4.499 4.757 -0.258 19752 12857 1 19 . 1 1 12 12 SER C C 12 174.766 174.766 174.136 0.630 19752 12858 1 19 . 1 1 12 12 SER CA C 12 58.432 58.432 58.194 0.238 19752 12859 1 19 . 1 1 12 12 SER CB C 12 63.986 63.986 63.488 0.498 19752 12860 1 19 . 1 1 12 12 SER H H 12 8.413 8.413 8.654 -0.241 19752 12861 1 19 . 1 1 13 13 SER N N 13 118.106 118.106 117.076 1.030 19752 12862 1 19 . 1 1 13 13 SER HA H 13 4.518 4.518 4.173 0.345 19752 12863 1 19 . 1 1 13 13 SER C C 13 174.674 174.674 173.466 1.208 19752 12864 1 19 . 1 1 13 13 SER CA C 13 58.607 58.607 59.672 -1.065 19752 12865 1 19 . 1 1 13 13 SER CB C 13 63.869 63.869 62.349 1.520 19752 12866 1 19 . 1 1 13 13 SER H H 13 8.414 8.414 7.928 0.486 19752 12867 1 19 . 1 1 14 14 SER N N 14 117.724 117.724 120.826 -3.102 19752 12868 1 19 . 1 1 14 14 SER HA H 14 4.535 4.535 4.659 -0.124 19752 12869 1 19 . 1 1 14 14 SER C C 14 174.743 174.743 173.879 0.864 19752 12870 1 19 . 1 1 14 14 SER CA C 14 58.630 58.630 58.027 0.603 19752 12871 1 19 . 1 1 14 14 SER CB C 14 63.798 63.798 65.224 -1.426 19752 12872 1 19 . 1 1 14 14 SER H H 14 8.379 8.379 8.626 -0.247 19752 12873 1 19 . 1 1 15 15 THR N N 15 116.549 116.549 120.993 -4.444 19752 12874 1 19 . 1 1 15 15 THR HA H 15 4.336 4.336 4.390 -0.054 19752 12875 1 19 . 1 1 15 15 THR C C 15 174.310 174.310 175.113 -0.803 19752 12876 1 19 . 1 1 15 15 THR CA C 15 62.161 62.161 62.666 -0.505 19752 12877 1 19 . 1 1 15 15 THR CB C 15 69.603 69.603 69.052 0.551 19752 12878 1 19 . 1 1 15 15 THR H H 15 8.195 8.195 8.486 -0.291 19752 12879 1 19 . 1 1 16 16 VAL N N 16 123.406 123.406 122.241 1.165 19752 12880 1 19 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.315 -0.213 19752 12881 1 19 . 1 1 16 16 VAL C C 16 175.934 175.934 176.573 -0.639 19752 12882 1 19 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.450 0.062 19752 12883 1 19 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.209 0.529 19752 12884 1 19 . 1 1 16 16 VAL H H 16 8.121 8.121 8.435 -0.314 19752 12885 1 19 . 1 1 17 17 VAL N N 17 125.445 125.445 124.042 1.403 19752 12886 1 19 . 1 1 17 17 VAL HA H 17 4.085 4.085 3.974 0.111 19752 12887 1 19 . 1 1 17 17 VAL C C 17 176.102 176.102 174.473 1.629 19752 12888 1 19 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.710 -0.431 19752 12889 1 19 . 1 1 17 17 VAL CB C 17 32.677 32.677 30.072 2.605 19752 12890 1 19 . 1 1 17 17 VAL H H 17 8.293 8.293 7.786 0.507 19752 12891 1 19 . 1 1 18 18 LYS N N 18 126.281 126.281 126.294 -0.013 19752 12892 1 19 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.644 -0.302 19752 12893 1 19 . 1 1 18 18 LYS C C 18 176.138 176.138 174.832 1.306 19752 12894 1 19 . 1 1 18 18 LYS CA C 18 56.205 56.205 55.964 0.241 19752 12895 1 19 . 1 1 18 18 LYS CB C 18 33.146 33.146 33.866 -0.720 19752 12896 1 19 . 1 1 18 18 LYS H H 18 8.478 8.478 8.015 0.463 19752 12897 1 19 . 1 1 19 19 ASP N N 19 121.904 121.904 121.594 0.310 19752 12898 1 19 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.742 -0.178 19752 12899 1 19 . 1 1 19 19 ASP C C 19 176.698 176.698 174.429 2.269 19752 12900 1 19 . 1 1 19 19 ASP CA C 19 54.385 54.385 53.914 0.471 19752 12901 1 19 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.513 -1.290 19752 12902 1 19 . 1 1 19 19 ASP H H 19 8.379 8.379 8.174 0.205 19752 12903 1 19 . 1 1 20 20 GLY N N 20 109.177 109.177 106.975 2.202 19752 12904 1 19 . 1 1 20 20 GLY C C 20 174.374 174.374 173.618 0.756 19752 12905 1 19 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.646 0.992 19752 12906 1 19 . 1 1 20 20 GLY H H 20 8.390 8.390 8.358 0.032 19752 12907 1 19 . 1 1 21 21 LYS N N 21 120.814 120.814 122.262 -1.448 19752 12908 1 19 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.293 0.096 19752 12909 1 19 . 1 1 21 21 LYS C C 21 177.041 177.041 176.226 0.815 19752 12910 1 19 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.306 0.270 19752 12911 1 19 . 1 1 21 21 LYS CB C 21 33.090 33.090 30.868 2.222 19752 12912 1 19 . 1 1 21 21 LYS H H 21 8.229 8.229 8.259 -0.030 19752 12913 1 19 . 1 1 22 22 THR N N 22 115.105 115.105 119.350 -4.245 19752 12914 1 19 . 1 1 22 22 THR HA H 22 4.393 4.393 4.088 0.305 19752 12915 1 19 . 1 1 22 22 THR C C 22 174.607 174.607 174.421 0.186 19752 12916 1 19 . 1 1 22 22 THR CA C 22 61.880 61.880 61.824 0.056 19752 12917 1 19 . 1 1 22 22 THR CB C 22 69.736 69.736 69.381 0.355 19752 12918 1 19 . 1 1 22 22 THR H H 22 8.237 8.237 8.416 -0.179 19752 12919 1 19 . 1 1 24 24 SER HA H 24 4.486 4.486 4.557 -0.071 19752 12920 1 19 . 1 1 24 24 SER C C 24 174.299 174.299 172.944 1.355 19752 12921 1 19 . 1 1 24 24 SER CA C 24 58.547 58.547 57.225 1.321 19752 12922 1 19 . 1 1 24 24 SER CB C 24 63.787 63.787 64.630 -0.843 19752 12923 1 19 . 1 1 25 25 ALA N N 25 125.891 125.891 128.151 -2.260 19752 12924 1 19 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.424 -0.048 19752 12925 1 19 . 1 1 25 25 ALA C C 25 177.660 177.660 177.124 0.536 19752 12926 1 19 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.917 0.712 19752 12927 1 19 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.004 0.287 19752 12928 1 19 . 1 1 25 25 ALA H H 25 8.328 8.328 8.542 -0.214 19752 12929 1 19 . 1 1 26 26 SER N N 26 115.155 115.155 121.063 -5.908 19752 12930 1 19 . 1 1 26 26 SER HA H 26 4.486 4.486 4.795 -0.309 19752 12931 1 19 . 1 1 26 26 SER C C 26 174.291 174.291 174.318 -0.027 19752 12932 1 19 . 1 1 26 26 SER CA C 26 58.237 58.237 57.739 0.499 19752 12933 1 19 . 1 1 26 26 SER CB C 26 63.917 63.917 63.485 0.432 19752 12934 1 19 . 1 1 26 26 SER H H 26 8.267 8.267 8.448 -0.181 19752 12935 1 19 . 1 1 27 27 THR N N 27 118.324 118.324 123.323 -4.999 19752 12936 1 19 . 1 1 27 27 THR HA H 27 4.627 4.627 4.840 -0.213 19752 12937 1 19 . 1 1 27 27 THR C C 27 172.782 172.782 172.981 -0.199 19752 12938 1 19 . 1 1 27 27 THR CA C 27 59.748 59.748 58.941 0.807 19752 12939 1 19 . 1 1 27 27 THR CB C 27 69.702 69.702 69.346 0.357 19752 12940 1 19 . 1 1 27 27 THR H H 27 8.164 8.164 8.159 0.005 19752 12941 1 19 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.691 -0.288 19752 12942 1 19 . 1 1 28 28 PRO C C 28 176.630 176.630 177.818 -1.188 19752 12943 1 19 . 1 1 28 28 PRO CA C 28 63.250 63.250 64.245 -0.995 19752 12944 1 19 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.997 0.168 19752 12945 1 19 . 1 1 29 29 ALA N N 29 124.263 124.263 120.824 3.439 19752 12946 1 19 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.016 0.333 19752 12947 1 19 . 1 1 29 29 ALA C C 29 177.974 177.974 179.065 -1.091 19752 12948 1 19 . 1 1 29 29 ALA CA C 29 52.655 52.655 54.557 -1.902 19752 12949 1 19 . 1 1 29 29 ALA CB C 29 19.277 19.277 17.084 2.193 19752 12950 1 19 . 1 1 29 29 ALA H H 29 8.432 8.432 8.449 -0.017 19752 12951 1 19 . 1 1 30 30 THR N N 30 113.368 113.368 114.710 -1.342 19752 12952 1 19 . 1 1 30 30 THR HA H 30 4.281 4.281 4.284 -0.003 19752 12953 1 19 . 1 1 30 30 THR C C 30 174.257 174.257 175.130 -0.873 19752 12954 1 19 . 1 1 30 30 THR CA C 30 61.656 61.656 62.684 -1.028 19752 12955 1 19 . 1 1 30 30 THR CB C 30 69.801 69.801 70.072 -0.271 19752 12956 1 19 . 1 1 30 30 THR H H 30 8.106 8.106 8.264 -0.158 19752 12957 1 19 . 1 1 31 31 ARG N N 31 124.700 124.700 121.038 3.662 19752 12958 1 19 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.746 -0.096 19752 12959 1 19 . 1 1 31 31 ARG C C 31 174.094 174.094 173.481 0.613 19752 12960 1 19 . 1 1 31 31 ARG CA C 31 54.051 54.051 53.198 0.853 19752 12961 1 19 . 1 1 31 31 ARG CB C 31 30.374 30.374 32.735 -2.361 19752 12962 1 19 . 1 1 31 31 ARG H H 31 8.318 8.318 7.607 0.711 19752 12963 1 19 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.515 -0.016 19752 12964 1 19 . 1 1 32 32 PRO C C 32 177.065 177.065 177.086 -0.021 19752 12965 1 19 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.124 -0.064 19752 12966 1 19 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.326 0.831 19752 12967 1 19 . 1 1 33 33 VAL N N 33 120.890 120.890 119.240 1.650 19752 12968 1 19 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.077 0.131 19752 12969 1 19 . 1 1 33 33 VAL C C 33 176.668 176.668 176.479 0.189 19752 12970 1 19 . 1 1 33 33 VAL CA C 33 62.608 62.608 63.438 -0.830 19752 12971 1 19 . 1 1 33 33 VAL CB C 33 32.747 32.747 32.127 0.620 19752 12972 1 19 . 1 1 33 33 VAL H H 33 8.447 8.447 8.323 0.124 19752 12973 1 19 . 1 1 34 34 THR N N 34 116.709 116.709 110.669 6.040 19752 12974 1 19 . 1 1 34 34 THR HA H 34 4.377 4.377 4.591 -0.214 19752 12975 1 19 . 1 1 34 34 THR C C 34 174.791 174.791 173.906 0.885 19752 12976 1 19 . 1 1 34 34 THR CA C 34 61.700 61.700 60.136 1.564 19752 12977 1 19 . 1 1 34 34 THR CB C 34 69.697 69.697 71.605 -1.908 19752 12978 1 19 . 1 1 34 34 THR H H 34 8.221 8.221 7.436 0.785 19752 12979 1 19 . 1 1 35 35 GLY N N 35 111.182 111.182 111.121 0.061 19752 12980 1 19 . 1 1 35 35 GLY C C 35 173.940 173.940 174.609 -0.669 19752 12981 1 19 . 1 1 35 35 GLY CA C 35 45.656 45.656 44.716 0.940 19752 12982 1 19 . 1 1 35 35 GLY H H 35 8.376 8.376 8.642 -0.266 19752 12983 1 19 . 1 1 36 36 SER N N 36 116.779 116.779 115.681 1.098 19752 12984 1 19 . 1 1 36 36 SER HA H 36 4.456 4.456 4.481 -0.025 19752 12985 1 19 . 1 1 36 36 SER C C 36 173.880 173.880 174.045 -0.165 19752 12986 1 19 . 1 1 36 36 SER CA C 36 58.255 58.255 59.525 -1.270 19752 12987 1 19 . 1 1 36 36 SER CB C 36 64.195 64.195 63.458 0.737 19752 12988 1 19 . 1 1 36 36 SER H H 36 8.456 8.456 8.676 -0.220 19752 12989 1 19 . 1 1 37 37 TRP N N 37 121.744 121.744 121.277 0.467 19752 12990 1 19 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.778 -0.250 19752 12991 1 19 . 1 1 37 37 TRP C C 37 176.500 176.500 176.494 0.006 19752 12992 1 19 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.185 0.904 19752 12993 1 19 . 1 1 37 37 TRP CB C 37 31.007 31.007 29.889 1.118 19752 12994 1 19 . 1 1 37 37 TRP H H 37 8.171 8.171 7.646 0.525 19752 12995 1 19 . 1 1 38 38 LYS N N 38 123.158 123.158 123.796 -0.638 19752 12996 1 19 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.623 0.003 19752 12997 1 19 . 1 1 38 38 LYS C C 38 172.839 172.839 174.835 -1.996 19752 12998 1 19 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.413 0.743 19752 12999 1 19 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.714 0.942 19752 13000 1 19 . 1 1 38 38 LYS H H 38 8.736 8.736 8.803 -0.067 19752 13001 1 19 . 1 1 39 39 LYS N N 39 121.526 121.526 121.955 -0.429 19752 13002 1 19 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.202 0.538 19752 13003 1 19 . 1 1 39 39 LYS C C 39 177.510 177.510 176.285 1.225 19752 13004 1 19 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.218 -0.902 19752 13005 1 19 . 1 1 39 39 LYS CB C 39 33.357 33.357 33.068 0.289 19752 13006 1 19 . 1 1 39 39 LYS H H 39 8.123 8.123 8.190 -0.067 19752 13007 1 19 . 1 1 40 40 ASN N N 40 123.988 123.988 124.715 -0.727 19752 13008 1 19 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.904 0.152 19752 13009 1 19 . 1 1 40 40 ASN C C 40 177.524 177.524 176.166 1.358 19752 13010 1 19 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.197 -1.357 19752 13011 1 19 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.969 -1.813 19752 13012 1 19 . 1 1 40 40 ASN H H 40 8.583 8.583 9.059 -0.476 19752 13013 1 19 . 1 1 41 41 GLN N N 41 116.529 116.529 122.161 -5.632 19752 13014 1 19 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.071 -0.011 19752 13015 1 19 . 1 1 41 41 GLN C C 41 175.829 175.829 176.105 -0.276 19752 13016 1 19 . 1 1 41 41 GLN CA C 41 57.761 57.761 58.106 -0.345 19752 13017 1 19 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.232 -0.285 19752 13018 1 19 . 1 1 41 41 GLN H H 41 8.856 8.856 8.765 0.091 19752 13019 1 19 . 1 1 42 42 TYR N N 42 119.255 119.255 117.075 2.180 19752 13020 1 19 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.492 0.159 19752 13021 1 19 . 1 1 42 42 TYR C C 42 175.782 175.782 176.477 -0.695 19752 13022 1 19 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.450 -1.331 19752 13023 1 19 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.359 -0.241 19752 13024 1 19 . 1 1 42 42 TYR H H 42 7.604 7.604 7.430 0.174 19752 13025 1 19 . 1 1 43 43 GLY N N 43 106.354 106.354 106.859 -0.505 19752 13026 1 19 . 1 1 43 43 GLY C C 43 173.297 173.297 173.990 -0.693 19752 13027 1 19 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.383 -0.220 19752 13028 1 19 . 1 1 43 43 GLY H H 43 7.993 7.993 7.973 0.020 19752 13029 1 19 . 1 1 44 44 THR N N 44 120.062 120.062 116.003 4.059 19752 13030 1 19 . 1 1 44 44 THR HA H 44 4.176 4.176 4.615 -0.439 19752 13031 1 19 . 1 1 44 44 THR C C 44 173.969 173.969 174.307 -0.338 19752 13032 1 19 . 1 1 44 44 THR CA C 44 62.132 62.132 63.329 -1.197 19752 13033 1 19 . 1 1 44 44 THR CB C 44 68.989 68.989 69.511 -0.522 19752 13034 1 19 . 1 1 44 44 THR H H 44 7.781 7.781 7.412 0.369 19752 13035 1 19 . 1 1 45 45 TRP N N 45 129.666 129.666 127.280 2.386 19752 13036 1 19 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.450 0.226 19752 13037 1 19 . 1 1 45 45 TRP C C 45 175.999 175.999 176.241 -0.242 19752 13038 1 19 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.940 -0.334 19752 13039 1 19 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.966 -0.325 19752 13040 1 19 . 1 1 45 45 TRP H H 45 8.041 8.041 8.644 -0.603 19752 13041 1 19 . 1 1 46 46 TYR N N 46 122.938 122.938 118.158 4.780 19752 13042 1 19 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.179 0.159 19752 13043 1 19 . 1 1 46 46 TYR C C 46 173.663 173.663 173.294 0.369 19752 13044 1 19 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.682 0.625 19752 13045 1 19 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.320 1.805 19752 13046 1 19 . 1 1 46 46 TYR H H 46 10.329 10.329 9.564 0.765 19752 13047 1 19 . 1 1 47 47 LYS N N 47 118.986 118.986 118.389 0.597 19752 13048 1 19 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.791 -0.020 19752 13049 1 19 . 1 1 47 47 LYS C C 47 172.462 172.462 173.662 -1.200 19752 13050 1 19 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.807 0.905 19752 13051 1 19 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.917 -0.799 19752 13052 1 19 . 1 1 47 47 LYS H H 47 8.923 8.923 8.979 -0.056 19752 13053 1 19 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.811 -0.009 19752 13054 1 19 . 1 1 48 48 PRO C C 48 176.747 176.747 175.859 0.888 19752 13055 1 19 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.977 -0.312 19752 13056 1 19 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.626 0.413 19752 13057 1 19 . 1 1 49 49 GLU N N 49 125.285 125.285 124.498 0.787 19752 13058 1 19 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.501 -0.513 19752 13059 1 19 . 1 1 49 49 GLU C C 49 170.927 170.927 174.182 -3.255 19752 13060 1 19 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.438 2.432 19752 13061 1 19 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.594 0.636 19752 13062 1 19 . 1 1 49 49 GLU H H 49 7.771 7.771 8.251 -0.480 19752 13063 1 19 . 1 1 50 50 ASN N N 50 122.328 122.328 124.171 -1.843 19752 13064 1 19 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.546 -0.148 19752 13065 1 19 . 1 1 50 50 ASN C C 50 173.648 173.648 173.635 0.013 19752 13066 1 19 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.799 -1.113 19752 13067 1 19 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.729 -0.083 19752 13068 1 19 . 1 1 50 50 ASN H H 50 8.148 8.148 8.437 -0.289 19752 13069 1 19 . 1 1 51 51 ALA N N 51 126.527 126.527 129.301 -2.774 19752 13070 1 19 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.505 -0.052 19752 13071 1 19 . 1 1 51 51 ALA C C 51 172.872 172.872 174.320 -1.448 19752 13072 1 19 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.096 0.501 19752 13073 1 19 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.578 -2.908 19752 13074 1 19 . 1 1 51 51 ALA H H 51 7.085 7.085 8.529 -1.444 19752 13075 1 19 . 1 1 52 52 THR N N 52 112.831 112.831 114.905 -2.074 19752 13076 1 19 . 1 1 52 52 THR HA H 52 5.167 5.167 5.037 0.130 19752 13077 1 19 . 1 1 52 52 THR C C 52 172.852 172.852 172.813 0.039 19752 13078 1 19 . 1 1 52 52 THR CA C 52 62.232 62.232 61.457 0.775 19752 13079 1 19 . 1 1 52 52 THR CB C 52 71.068 71.068 71.052 0.016 19752 13080 1 19 . 1 1 52 52 THR H H 52 8.036 8.036 8.720 -0.684 19752 13081 1 19 . 1 1 53 53 PHE N N 53 127.883 127.883 127.995 -0.112 19752 13082 1 19 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.108 0.215 19752 13083 1 19 . 1 1 53 53 PHE C C 53 172.928 172.928 172.996 -0.068 19752 13084 1 19 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.627 -0.352 19752 13085 1 19 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.299 0.906 19752 13086 1 19 . 1 1 53 53 PHE H H 53 9.714 9.714 9.559 0.155 19752 13087 1 19 . 1 1 54 54 VAL N N 54 127.284 127.284 127.969 -0.685 19752 13088 1 19 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.115 0.205 19752 13089 1 19 . 1 1 54 54 VAL C C 54 175.842 175.842 174.291 1.551 19752 13090 1 19 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.177 -0.025 19752 13091 1 19 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.633 0.105 19752 13092 1 19 . 1 1 54 54 VAL H H 54 8.583 8.583 8.760 -0.177 19752 13093 1 19 . 1 1 55 55 ASN N N 55 125.723 125.723 126.405 -0.682 19752 13094 1 19 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.083 0.077 19752 13095 1 19 . 1 1 55 55 ASN C C 55 176.333 176.333 174.870 1.463 19752 13096 1 19 . 1 1 55 55 ASN CA C 55 53.589 53.589 54.014 -0.425 19752 13097 1 19 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.684 -1.039 19752 13098 1 19 . 1 1 55 55 ASN H H 55 8.970 8.970 8.513 0.457 19752 13099 1 19 . 1 1 56 56 GLY N N 56 114.389 114.389 113.701 0.688 19752 13100 1 19 . 1 1 56 56 GLY C C 56 173.882 173.882 174.745 -0.863 19752 13101 1 19 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.514 -0.838 19752 13102 1 19 . 1 1 56 56 GLY H H 56 8.360 8.360 8.383 -0.024 19752 13103 1 19 . 1 1 57 57 ASN N N 57 115.511 115.511 119.503 -3.992 19752 13104 1 19 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.824 -0.313 19752 13105 1 19 . 1 1 57 57 ASN C C 57 174.741 174.741 174.578 0.163 19752 13106 1 19 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.065 0.148 19752 13107 1 19 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.067 -1.438 19752 13108 1 19 . 1 1 57 57 ASN H H 57 8.149 8.149 8.506 -0.357 19752 13109 1 19 . 1 1 58 58 GLN N N 58 118.128 118.128 117.871 0.257 19752 13110 1 19 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.759 0.201 19752 13111 1 19 . 1 1 58 58 GLN C C 58 172.603 172.603 173.225 -0.622 19752 13112 1 19 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.717 -0.084 19752 13113 1 19 . 1 1 58 58 GLN CB C 58 30.568 30.568 27.843 2.725 19752 13114 1 19 . 1 1 58 58 GLN H H 58 7.702 7.702 8.087 -0.385 19752 13115 1 19 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.596 0.344 19752 13116 1 19 . 1 1 59 59 PRO C C 59 176.506 176.506 176.213 0.293 19752 13117 1 19 . 1 1 59 59 PRO CA C 59 62.256 62.256 63.169 -0.913 19752 13118 1 19 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.082 0.578 19752 13119 1 19 . 1 1 60 60 ILE N N 60 120.974 120.974 125.713 -4.739 19752 13120 1 19 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.068 0.206 19752 13121 1 19 . 1 1 60 60 ILE C C 60 175.190 175.190 175.146 0.044 19752 13122 1 19 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.257 0.430 19752 13123 1 19 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.352 2.393 19752 13124 1 19 . 1 1 60 60 ILE H H 60 8.126 8.126 8.494 -0.368 19752 13125 1 19 . 1 1 61 61 VAL N N 61 128.224 128.224 130.126 -1.902 19752 13126 1 19 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.365 -0.252 19752 13127 1 19 . 1 1 61 61 VAL C C 61 175.973 175.973 175.908 0.065 19752 13128 1 19 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.803 2.473 19752 13129 1 19 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.891 -0.961 19752 13130 1 19 . 1 1 61 61 VAL H H 61 8.421 8.421 8.618 -0.197 19752 13131 1 19 . 1 1 62 62 THR N N 62 118.454 118.454 124.037 -5.583 19752 13132 1 19 . 1 1 62 62 THR HA H 62 5.021 5.021 4.723 0.298 19752 13133 1 19 . 1 1 62 62 THR C C 62 174.936 174.936 174.094 0.842 19752 13134 1 19 . 1 1 62 62 THR CA C 62 61.286 61.286 60.597 0.689 19752 13135 1 19 . 1 1 62 62 THR CB C 62 71.133 71.133 70.689 0.444 19752 13136 1 19 . 1 1 62 62 THR H H 62 7.989 7.989 9.285 -1.296 19752 13137 1 19 . 1 1 63 63 ARG N N 63 118.225 118.225 118.237 -0.012 19752 13138 1 19 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.274 0.155 19752 13139 1 19 . 1 1 63 63 ARG C C 63 175.607 175.607 175.237 0.370 19752 13140 1 19 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.354 -0.707 19752 13141 1 19 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.123 0.480 19752 13142 1 19 . 1 1 63 63 ARG H H 63 9.336 9.336 8.822 0.514 19752 13143 1 19 . 1 1 64 64 ILE N N 64 119.746 119.746 121.540 -1.794 19752 13144 1 19 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.587 -0.122 19752 13145 1 19 . 1 1 64 64 ILE C C 64 179.206 179.206 177.581 1.625 19752 13146 1 19 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.032 -0.843 19752 13147 1 19 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.539 -0.291 19752 13148 1 19 . 1 1 64 64 ILE H H 64 8.741 8.741 8.684 0.057 19752 13149 1 19 . 1 1 65 65 GLY N N 65 116.059 116.059 116.866 -0.807 19752 13150 1 19 . 1 1 65 65 GLY C C 65 174.185 174.185 173.494 0.691 19752 13151 1 19 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.406 1.265 19752 13152 1 19 . 1 1 65 65 GLY H H 65 9.316 9.316 9.263 0.053 19752 13153 1 19 . 1 1 66 66 SER N N 66 114.840 114.840 114.448 0.392 19752 13154 1 19 . 1 1 66 66 SER HA H 66 4.160 4.160 3.809 0.351 19752 13155 1 19 . 1 1 66 66 SER C C 66 170.281 170.281 171.310 -1.029 19752 13156 1 19 . 1 1 66 66 SER CA C 66 56.207 56.207 55.349 0.859 19752 13157 1 19 . 1 1 66 66 SER CB C 66 63.737 63.737 65.631 -1.894 19752 13158 1 19 . 1 1 66 66 SER H H 66 7.412 7.412 7.094 0.318 19752 13159 1 19 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.547 -0.908 19752 13160 1 19 . 1 1 67 67 PRO C C 67 170.030 170.030 173.966 -3.936 19752 13161 1 19 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.597 -1.927 19752 13162 1 19 . 1 1 67 67 PRO CB C 67 25.910 25.910 30.865 -4.955 19752 13163 1 19 . 1 1 68 68 PHE N N 68 111.778 111.778 119.549 -7.771 19752 13164 1 19 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.357 0.136 19752 13165 1 19 . 1 1 68 68 PHE C C 68 177.055 177.055 174.182 2.873 19752 13166 1 19 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.862 -1.234 19752 13167 1 19 . 1 1 68 68 PHE CB C 68 43.358 43.358 40.575 2.783 19752 13168 1 19 . 1 1 68 68 PHE H H 68 6.610 6.610 6.837 -0.227 19752 13169 1 19 . 1 1 69 69 LEU N N 69 119.491 119.491 121.202 -1.711 19752 13170 1 19 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.648 -0.335 19752 13171 1 19 . 1 1 69 69 LEU C C 69 176.326 176.326 178.091 -1.765 19752 13172 1 19 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.425 -1.194 19752 13173 1 19 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.901 -1.031 19752 13174 1 19 . 1 1 69 69 LEU H H 69 8.388 8.388 8.436 -0.048 19752 13175 1 19 . 1 1 70 70 ASN N N 70 112.229 112.229 117.568 -5.339 19752 13176 1 19 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.753 0.089 19752 13177 1 19 . 1 1 70 70 ASN C C 70 175.620 175.620 174.487 1.133 19752 13178 1 19 . 1 1 70 70 ASN CA C 70 51.668 51.668 51.913 -0.245 19752 13179 1 19 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.870 -0.217 19752 13180 1 19 . 1 1 70 70 ASN H H 70 7.675 7.675 8.287 -0.612 19752 13181 1 19 . 1 1 71 71 ALA N N 71 123.955 123.955 122.469 1.486 19752 13182 1 19 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.494 0.065 19752 13183 1 19 . 1 1 71 71 ALA C C 71 174.274 174.274 175.238 -0.964 19752 13184 1 19 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.555 0.915 19752 13185 1 19 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.294 -0.451 19752 13186 1 19 . 1 1 71 71 ALA H H 71 7.152 7.152 7.544 -0.392 19752 13187 1 19 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.261 0.152 19752 13188 1 19 . 1 1 72 72 PRO C C 72 176.342 176.342 175.677 0.665 19752 13189 1 19 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.678 -0.559 19752 13190 1 19 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.523 0.633 19752 13191 1 19 . 1 1 73 73 VAL N N 73 121.078 121.078 122.209 -1.131 19752 13192 1 19 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.335 -0.051 19752 13193 1 19 . 1 1 73 73 VAL C C 73 177.864 177.864 177.824 0.040 19752 13194 1 19 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.703 2.574 19752 13195 1 19 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.714 -0.990 19752 13196 1 19 . 1 1 73 73 VAL H H 73 8.328 8.328 8.222 0.106 19752 13197 1 19 . 1 1 74 74 GLY N N 74 114.118 114.118 110.386 3.732 19752 13198 1 19 . 1 1 74 74 GLY C C 74 173.963 173.963 173.979 -0.016 19752 13199 1 19 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.858 -0.073 19752 13200 1 19 . 1 1 74 74 GLY H H 74 8.781 8.781 8.858 -0.077 19752 13201 1 19 . 1 1 75 75 GLY N N 75 107.324 107.324 109.919 -2.595 19752 13202 1 19 . 1 1 75 75 GLY C C 75 173.460 173.460 172.722 0.738 19752 13203 1 19 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.309 -0.561 19752 13204 1 19 . 1 1 75 75 GLY H H 75 7.278 7.278 7.949 -0.671 19752 13205 1 19 . 1 1 76 76 ASN N N 76 119.682 119.682 124.049 -4.367 19752 13206 1 19 . 1 1 76 76 ASN HA H 76 5.422 5.422 4.994 0.428 19752 13207 1 19 . 1 1 76 76 ASN C C 76 175.760 175.760 174.339 1.421 19752 13208 1 19 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.321 -0.044 19752 13209 1 19 . 1 1 76 76 ASN CB C 76 39.213 39.213 40.463 -1.250 19752 13210 1 19 . 1 1 76 76 ASN H H 76 8.797 8.797 8.686 0.111 19752 13211 1 19 . 1 1 77 77 LEU N N 77 129.545 129.545 128.447 1.098 19752 13212 1 19 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.965 -0.094 19752 13213 1 19 . 1 1 77 77 LEU C C 77 174.374 174.374 174.544 -0.170 19752 13214 1 19 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.221 0.993 19752 13215 1 19 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.597 -0.526 19752 13216 1 19 . 1 1 77 77 LEU H H 77 10.083 10.083 8.923 1.160 19752 13217 1 19 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.439 -0.110 19752 13218 1 19 . 1 1 78 78 PRO C C 78 177.553 177.553 176.049 1.504 19752 13219 1 19 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.381 0.200 19752 13220 1 19 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.615 0.106 19752 13221 1 19 . 1 1 79 79 ALA N N 79 125.294 125.294 122.645 2.649 19752 13222 1 19 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.543 -0.283 19752 13223 1 19 . 1 1 79 79 ALA C C 79 179.984 179.984 178.802 1.182 19752 13224 1 19 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.252 0.926 19752 13225 1 19 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.828 -0.582 19752 13226 1 19 . 1 1 79 79 ALA H H 79 8.585 8.585 8.210 0.375 19752 13227 1 19 . 1 1 80 80 GLY N N 80 110.970 110.970 111.090 -0.120 19752 13228 1 19 . 1 1 80 80 GLY C C 80 173.499 173.499 173.844 -0.345 19752 13229 1 19 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.757 1.197 19752 13230 1 19 . 1 1 80 80 GLY H H 80 8.004 8.004 8.990 -0.986 19752 13231 1 19 . 1 1 81 81 ALA N N 81 122.249 122.249 123.321 -1.072 19752 13232 1 19 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.507 -0.256 19752 13233 1 19 . 1 1 81 81 ALA C C 81 175.709 175.709 176.260 -0.551 19752 13234 1 19 . 1 1 81 81 ALA CA C 81 52.765 52.765 51.896 0.869 19752 13235 1 19 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.781 1.072 19752 13236 1 19 . 1 1 81 81 ALA H H 81 7.363 7.363 7.410 -0.047 19752 13237 1 19 . 1 1 82 82 THR N N 82 114.980 114.980 120.387 -5.407 19752 13238 1 19 . 1 1 82 82 THR HA H 82 5.171 5.171 4.950 0.221 19752 13239 1 19 . 1 1 82 82 THR C C 82 174.618 174.618 173.599 1.019 19752 13240 1 19 . 1 1 82 82 THR CA C 82 62.118 62.118 61.649 0.469 19752 13241 1 19 . 1 1 82 82 THR CB C 82 70.555 70.555 69.296 1.258 19752 13242 1 19 . 1 1 82 82 THR H H 82 8.181 8.181 8.460 -0.279 19752 13243 1 19 . 1 1 83 83 ILE N N 83 127.480 127.480 129.647 -2.167 19752 13244 1 19 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.313 0.091 19752 13245 1 19 . 1 1 83 83 ILE C C 83 173.926 173.926 174.224 -0.298 19752 13246 1 19 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.640 -0.301 19752 13247 1 19 . 1 1 83 83 ILE CB C 83 42.228 42.228 39.796 2.432 19752 13248 1 19 . 1 1 83 83 ILE H H 83 9.627 9.627 9.211 0.416 19752 13249 1 19 . 1 1 84 84 VAL N N 84 128.246 128.246 129.216 -0.970 19752 13250 1 19 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.389 0.284 19752 13251 1 19 . 1 1 84 84 VAL C C 84 175.501 175.501 175.138 0.363 19752 13252 1 19 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.427 1.708 19752 13253 1 19 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.363 -0.707 19752 13254 1 19 . 1 1 84 84 VAL H H 84 8.059 8.059 8.544 -0.485 19752 13255 1 19 . 1 1 85 85 TYR N N 85 126.862 126.862 125.460 1.402 19752 13256 1 19 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.821 0.604 19752 13257 1 19 . 1 1 85 85 TYR C C 85 174.273 174.273 173.734 0.539 19752 13258 1 19 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.916 -0.105 19752 13259 1 19 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.338 1.938 19752 13260 1 19 . 1 1 85 85 TYR H H 85 8.840 8.840 8.838 0.002 19752 13261 1 19 . 1 1 86 86 ASP N N 86 115.086 115.086 121.343 -6.257 19752 13262 1 19 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.924 0.544 19752 13263 1 19 . 1 1 86 86 ASP C C 86 177.943 177.943 175.345 2.598 19752 13264 1 19 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.560 0.643 19752 13265 1 19 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.285 0.290 19752 13266 1 19 . 1 1 86 86 ASP H H 86 8.843 8.843 8.594 0.249 19752 13267 1 19 . 1 1 87 87 GLU N N 87 124.208 124.208 119.645 4.563 19752 13268 1 19 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.050 0.065 19752 13269 1 19 . 1 1 87 87 GLU C C 87 173.613 173.613 174.466 -0.853 19752 13270 1 19 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.048 0.724 19752 13271 1 19 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.440 2.067 19752 13272 1 19 . 1 1 87 87 GLU H H 87 8.121 8.121 7.839 0.282 19752 13273 1 19 . 1 1 88 88 VAL N N 88 121.754 121.754 125.617 -3.863 19752 13274 1 19 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.793 0.921 19752 13275 1 19 . 1 1 88 88 VAL C C 88 175.480 175.480 174.743 0.737 19752 13276 1 19 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.661 -0.891 19752 13277 1 19 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.414 1.230 19752 13278 1 19 . 1 1 88 88 VAL H H 88 8.822 8.822 8.977 -0.155 19752 13279 1 19 . 1 1 89 89 CYS N N 89 118.234 118.234 125.455 -7.221 19752 13280 1 19 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.954 0.345 19752 13281 1 19 . 1 1 89 89 CYS C C 89 174.126 174.126 174.242 -0.116 19752 13282 1 19 . 1 1 89 89 CYS CA C 89 56.085 56.085 57.146 -1.061 19752 13283 1 19 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.867 1.237 19752 13284 1 19 . 1 1 89 89 CYS H H 89 9.404 9.404 9.687 -0.283 19752 13285 1 19 . 1 1 90 90 ILE N N 90 122.085 122.085 124.158 -2.073 19752 13286 1 19 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.524 0.709 19752 13287 1 19 . 1 1 90 90 ILE C C 90 176.210 176.210 174.343 1.867 19752 13288 1 19 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.851 0.708 19752 13289 1 19 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.095 2.394 19752 13290 1 19 . 1 1 90 90 ILE H H 90 9.773 9.773 9.474 0.299 19752 13291 1 19 . 1 1 91 91 GLN N N 91 125.884 125.884 128.534 -2.650 19752 13292 1 19 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.783 -0.164 19752 13293 1 19 . 1 1 91 91 GLN C C 91 176.019 176.019 174.243 1.776 19752 13294 1 19 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.645 1.577 19752 13295 1 19 . 1 1 91 91 GLN CB C 91 31.193 31.193 31.700 -0.507 19752 13296 1 19 . 1 1 91 91 GLN H H 91 8.910 8.910 8.400 0.510 19752 13297 1 19 . 1 1 92 92 ALA N N 92 131.300 131.300 131.105 0.195 19752 13298 1 19 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.088 0.436 19752 13299 1 19 . 1 1 92 92 ALA C C 92 178.514 178.514 177.524 0.990 19752 13300 1 19 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.794 -0.328 19752 13301 1 19 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.116 0.153 19752 13302 1 19 . 1 1 92 92 ALA H H 92 9.888 9.888 9.042 0.846 19752 13303 1 19 . 1 1 93 93 GLY N N 93 107.622 107.622 113.220 -5.598 19752 13304 1 19 . 1 1 93 93 GLY C C 93 174.796 174.796 173.467 1.329 19752 13305 1 19 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.953 1.517 19752 13306 1 19 . 1 1 93 93 GLY H H 93 9.675 9.675 8.459 1.216 19752 13307 1 19 . 1 1 94 94 HIS N N 94 118.233 118.233 119.793 -1.560 19752 13308 1 19 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.281 -0.455 19752 13309 1 19 . 1 1 94 94 HIS C C 94 173.575 173.575 172.845 0.730 19752 13310 1 19 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.512 0.708 19752 13311 1 19 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.211 -2.478 19752 13312 1 19 . 1 1 94 94 HIS H H 94 8.337 8.337 8.510 -0.173 19752 13313 1 19 . 1 1 95 95 ILE N N 95 118.964 118.964 121.653 -2.689 19752 13314 1 19 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.517 0.694 19752 13315 1 19 . 1 1 95 95 ILE C C 95 174.555 174.555 173.854 0.701 19752 13316 1 19 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.963 1.019 19752 13317 1 19 . 1 1 95 95 ILE CB C 95 38.783 38.783 39.934 -1.151 19752 13318 1 19 . 1 1 95 95 ILE H H 95 8.116 8.116 8.089 0.027 19752 13319 1 19 . 1 1 96 96 TRP N N 96 127.092 127.092 129.905 -2.813 19752 13320 1 19 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.527 -0.050 19752 13321 1 19 . 1 1 96 96 TRP C C 96 176.216 176.216 176.203 0.013 19752 13322 1 19 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.220 -0.977 19752 13323 1 19 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.224 0.544 19752 13324 1 19 . 1 1 96 96 TRP H H 96 9.869 9.869 9.276 0.593 19752 13325 1 19 . 1 1 97 97 ILE N N 97 113.283 113.283 118.909 -5.626 19752 13326 1 19 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.111 0.361 19752 13327 1 19 . 1 1 97 97 ILE C C 97 175.278 175.278 175.191 0.087 19752 13328 1 19 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.221 -0.037 19752 13329 1 19 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.263 0.386 19752 13330 1 19 . 1 1 97 97 ILE H H 97 8.893 8.893 9.045 -0.152 19752 13331 1 19 . 1 1 98 98 GLY N N 98 109.684 109.684 113.467 -3.783 19752 13332 1 19 . 1 1 98 98 GLY C C 98 172.048 172.048 172.409 -0.361 19752 13333 1 19 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.577 1.543 19752 13334 1 19 . 1 1 98 98 GLY H H 98 9.043 9.043 9.048 -0.005 19752 13335 1 19 . 1 1 99 99 TYR N N 99 117.809 117.809 121.680 -3.871 19752 13336 1 19 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.899 0.009 19752 13337 1 19 . 1 1 99 99 TYR C C 99 172.626 172.626 172.779 -0.153 19752 13338 1 19 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.626 0.633 19752 13339 1 19 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.557 -0.410 19752 13340 1 19 . 1 1 99 99 TYR H H 99 8.434 8.434 8.574 -0.140 19752 13341 1 19 . 1 1 100 100 ASN N N 100 117.139 117.139 119.078 -1.939 19752 13342 1 19 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.394 -0.108 19752 13343 1 19 . 1 1 100 100 ASN C C 100 175.315 175.315 174.038 1.277 19752 13344 1 19 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.428 0.558 19752 13345 1 19 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.193 -0.818 19752 13346 1 19 . 1 1 100 100 ASN H H 100 8.844 8.844 8.465 0.379 19752 13347 1 19 . 1 1 101 101 ALA N N 101 126.218 126.218 125.596 0.622 19752 13348 1 19 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.786 -0.149 19752 13349 1 19 . 1 1 101 101 ALA C C 101 179.095 179.095 178.349 0.746 19752 13350 1 19 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.274 0.938 19752 13351 1 19 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.865 -0.223 19752 13352 1 19 . 1 1 101 101 ALA H H 101 8.870 8.870 8.778 0.092 19752 13353 1 19 . 1 1 102 102 TYR N N 102 121.067 121.067 119.975 1.092 19752 13354 1 19 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.083 0.256 19752 13355 1 19 . 1 1 102 102 TYR C C 102 175.986 175.986 176.131 -0.145 19752 13356 1 19 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.415 -0.271 19752 13357 1 19 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.578 0.075 19752 13358 1 19 . 1 1 102 102 TYR H H 102 8.720 8.720 8.769 -0.049 19752 13359 1 19 . 1 1 103 103 ASN N N 103 115.289 115.289 118.151 -2.862 19752 13360 1 19 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.722 -0.310 19752 13361 1 19 . 1 1 103 103 ASN C C 103 175.963 175.963 175.867 0.096 19752 13362 1 19 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.651 -0.405 19752 13363 1 19 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.589 -1.344 19752 13364 1 19 . 1 1 103 103 ASN H H 103 7.490 7.490 7.340 0.150 19752 13365 1 19 . 1 1 104 104 GLY N N 104 107.204 107.204 107.217 -0.013 19752 13366 1 19 . 1 1 104 104 GLY C C 104 174.620 174.620 173.748 0.872 19752 13367 1 19 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.072 0.056 19752 13368 1 19 . 1 1 104 104 GLY H H 104 8.020 8.020 8.275 -0.255 19752 13369 1 19 . 1 1 105 105 ASN N N 105 118.581 118.581 119.937 -1.356 19752 13370 1 19 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.741 -0.165 19752 13371 1 19 . 1 1 105 105 ASN C C 105 173.805 173.805 173.912 -0.107 19752 13372 1 19 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.692 0.338 19752 13373 1 19 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.475 -0.491 19752 13374 1 19 . 1 1 105 105 ASN H H 105 7.703 7.703 7.685 0.018 19752 13375 1 19 . 1 1 106 106 ARG N N 106 123.191 123.191 126.816 -3.625 19752 13376 1 19 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.303 0.261 19752 13377 1 19 . 1 1 106 106 ARG C C 106 174.360 174.360 174.852 -0.492 19752 13378 1 19 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.854 -1.192 19752 13379 1 19 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.993 0.614 19752 13380 1 19 . 1 1 106 106 ARG H H 106 8.635 8.635 8.862 -0.227 19752 13381 1 19 . 1 1 107 107 VAL N N 107 128.482 128.482 126.679 1.803 19752 13382 1 19 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.499 0.054 19752 13383 1 19 . 1 1 107 107 VAL C C 107 172.290 172.290 173.575 -1.285 19752 13384 1 19 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.811 -0.127 19752 13385 1 19 . 1 1 107 107 VAL CB C 107 34.477 34.477 34.551 -0.074 19752 13386 1 19 . 1 1 107 107 VAL H H 107 8.668 8.668 8.788 -0.120 19752 13387 1 19 . 1 1 108 108 TYR N N 108 119.055 119.055 124.330 -5.275 19752 13388 1 19 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.682 -0.189 19752 13389 1 19 . 1 1 108 108 TYR C C 108 175.215 175.215 174.968 0.247 19752 13390 1 19 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.241 0.331 19752 13391 1 19 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.699 0.736 19752 13392 1 19 . 1 1 108 108 TYR H H 108 8.944 8.944 9.215 -0.271 19752 13393 1 19 . 1 1 109 109 CYS N N 109 124.377 124.377 122.588 1.789 19752 13394 1 19 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.017 0.428 19752 13395 1 19 . 1 1 109 109 CYS C C 109 171.899 171.899 173.328 -1.429 19752 13396 1 19 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.559 -1.393 19752 13397 1 19 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.352 -1.550 19752 13398 1 19 . 1 1 109 109 CYS H H 109 9.675 9.675 8.876 0.799 19752 13399 1 19 . 1 1 110 110 PRO HA H 110 4.179 4.179 2.986 1.193 19752 13400 1 19 . 1 1 110 110 PRO C C 110 175.490 175.490 177.246 -1.756 19752 13401 1 19 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.868 -1.270 19752 13402 1 19 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.930 -1.474 19752 13403 1 19 . 1 1 111 111 VAL N N 111 109.293 109.293 110.950 -1.657 19752 13404 1 19 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.426 0.983 19752 13405 1 19 . 1 1 111 111 VAL C C 111 173.598 173.598 174.218 -0.620 19752 13406 1 19 . 1 1 111 111 VAL CA C 111 61.093 61.093 64.917 -3.824 19752 13407 1 19 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.079 3.442 19752 13408 1 19 . 1 1 111 111 VAL H H 111 8.382 8.382 7.339 1.043 19752 13409 1 19 . 1 1 112 112 ARG N N 112 110.825 110.825 116.371 -5.546 19752 13410 1 19 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.848 -1.690 19752 13411 1 19 . 1 1 112 112 ARG C C 112 175.480 175.480 175.095 0.385 19752 13412 1 19 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.614 0.835 19752 13413 1 19 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.576 -1.430 19752 13414 1 19 . 1 1 112 112 ARG H H 112 6.735 6.735 7.993 -1.258 19752 13415 1 19 . 1 1 113 113 THR N N 113 111.002 111.002 119.760 -8.758 19752 13416 1 19 . 1 1 113 113 THR HA H 113 4.238 4.238 4.311 -0.073 19752 13417 1 19 . 1 1 113 113 THR C C 113 174.123 174.123 174.129 -0.006 19752 13418 1 19 . 1 1 113 113 THR CA C 113 62.468 62.468 64.380 -1.912 19752 13419 1 19 . 1 1 113 113 THR CB C 113 70.502 70.502 69.150 1.352 19752 13420 1 19 . 1 1 113 113 THR H H 113 8.898 8.898 7.859 1.039 19752 13421 1 19 . 1 1 114 114 CYS N N 114 119.522 119.522 125.855 -6.333 19752 13422 1 19 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.628 -1.113 19752 13423 1 19 . 1 1 114 114 CYS C C 114 172.669 172.669 173.110 -0.441 19752 13424 1 19 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.474 2.143 19752 13425 1 19 . 1 1 114 114 CYS CB C 114 29.545 29.545 30.823 -1.278 19752 13426 1 19 . 1 1 114 114 CYS H H 114 7.936 7.936 8.720 -0.784 19752 13427 1 19 . 1 1 115 115 GLN N N 115 129.342 129.342 124.332 5.010 19752 13428 1 19 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.589 0.039 19752 13429 1 19 . 1 1 115 115 GLN C C 115 175.456 175.456 174.221 1.235 19752 13430 1 19 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.293 -0.051 19752 13431 1 19 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.829 -0.653 19752 13432 1 19 . 1 1 115 115 GLN H H 115 7.963 7.963 8.254 -0.291 19752 13433 1 19 . 1 1 116 116 GLY N N 116 112.311 112.311 109.922 2.389 19752 13434 1 19 . 1 1 116 116 GLY C C 116 171.907 171.907 172.132 -0.225 19752 13435 1 19 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.664 -0.447 19752 13436 1 19 . 1 1 116 116 GLY H H 116 8.591 8.591 8.349 0.242 19752 13437 1 19 . 1 1 117 117 VAL N N 117 110.113 110.113 114.257 -4.144 19752 13438 1 19 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.488 -0.350 19752 13439 1 19 . 1 1 117 117 VAL C C 117 171.857 171.857 173.179 -1.322 19752 13440 1 19 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.722 0.235 19752 13441 1 19 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.421 -1.872 19752 13442 1 19 . 1 1 117 117 VAL H H 117 7.745 7.745 7.721 0.024 19752 13443 1 19 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.932 0.564 19752 13444 1 19 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.380 -0.890 19752 13445 1 19 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.615 -0.855 19752 13446 1 19 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.270 0.106 19752 13447 1 19 . 1 1 119 119 PRO C C 119 176.006 176.006 176.285 -0.279 19752 13448 1 19 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.985 1.171 19752 13449 1 19 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.540 1.495 19752 13450 1 19 . 1 1 120 120 ASN N N 120 124.472 124.472 119.851 4.621 19752 13451 1 19 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.425 0.479 19752 13452 1 19 . 1 1 120 120 ASN C C 120 172.963 172.963 173.727 -0.764 19752 13453 1 19 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.704 0.411 19752 13454 1 19 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.406 0.821 19752 13455 1 19 . 1 1 120 120 ASN H H 120 8.414 8.414 7.701 0.713 19752 13456 1 19 . 1 1 121 121 HIS N N 121 120.276 120.276 121.001 -0.725 19752 13457 1 19 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.984 -0.556 19752 13458 1 19 . 1 1 121 121 HIS C C 121 174.788 174.788 174.454 0.334 19752 13459 1 19 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.255 2.445 19752 13460 1 19 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.697 0.011 19752 13461 1 19 . 1 1 121 121 HIS H H 121 8.591 8.591 7.563 1.028 19752 13462 1 19 . 1 1 122 122 ILE N N 122 120.474 120.474 125.469 -4.995 19752 13463 1 19 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.439 -0.094 19752 13464 1 19 . 1 1 122 122 ILE C C 122 174.718 174.718 173.918 0.800 19752 13465 1 19 . 1 1 122 122 ILE CA C 122 58.130 58.130 56.835 1.295 19752 13466 1 19 . 1 1 122 122 ILE CB C 122 39.770 39.770 36.838 2.932 19752 13467 1 19 . 1 1 122 122 ILE H H 122 8.883 8.883 9.035 -0.152 19752 13468 1 19 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.267 -0.771 19752 13469 1 19 . 1 1 123 123 PRO C C 123 177.104 177.104 176.574 0.530 19752 13470 1 19 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.752 0.855 19752 13471 1 19 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.174 0.355 19752 13472 1 19 . 1 1 124 124 GLY N N 124 111.030 111.030 112.393 -1.363 19752 13473 1 19 . 1 1 124 124 GLY C C 124 173.906 173.906 173.591 0.315 19752 13474 1 19 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.665 -1.548 19752 13475 1 19 . 1 1 124 124 GLY H H 124 8.553 8.553 8.843 -0.290 19752 13476 1 19 . 1 1 125 125 VAL N N 125 121.916 121.916 123.166 -1.250 19752 13477 1 19 . 1 1 125 125 VAL HA H 125 3.920 3.920 4.015 -0.095 19752 13478 1 19 . 1 1 125 125 VAL C C 125 176.148 176.148 174.389 1.759 19752 13479 1 19 . 1 1 125 125 VAL CA C 125 63.638 63.638 61.516 2.122 19752 13480 1 19 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.403 -0.285 19752 13481 1 19 . 1 1 125 125 VAL H H 125 8.493 8.493 7.405 1.088 19752 13482 1 19 . 1 1 126 126 ALA N N 126 127.872 127.872 129.499 -1.627 19752 13483 1 19 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.546 -0.056 19752 13484 1 19 . 1 1 126 126 ALA C C 126 179.447 179.447 177.114 2.333 19752 13485 1 19 . 1 1 126 126 ALA CA C 126 52.669 52.669 50.928 1.741 19752 13486 1 19 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.176 0.452 19752 13487 1 19 . 1 1 126 126 ALA H H 126 8.835 8.835 8.354 0.481 19752 13488 1 19 . 1 1 127 127 TRP N N 127 121.928 121.928 124.408 -2.480 19752 13489 1 19 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.864 0.249 19752 13490 1 19 . 1 1 127 127 TRP C C 127 174.684 174.684 175.503 -0.819 19752 13491 1 19 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.115 -0.486 19752 13492 1 19 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.163 -2.009 19752 13493 1 19 . 1 1 127 127 TRP H H 127 8.555 8.555 9.052 -0.497 19752 13494 1 19 . 1 1 128 128 GLY N N 128 103.981 103.981 105.669 -1.688 19752 13495 1 19 . 1 1 128 128 GLY C C 128 171.694 171.694 172.409 -0.715 19752 13496 1 19 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.927 0.762 19752 13497 1 19 . 1 1 128 128 GLY H H 128 7.280 7.280 7.656 -0.376 19752 13498 1 19 . 1 1 129 129 VAL N N 129 119.078 119.078 121.321 -2.243 19752 13499 1 19 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.463 -0.120 19752 13500 1 19 . 1 1 129 129 VAL C C 129 173.255 173.255 174.873 -1.618 19752 13501 1 19 . 1 1 129 129 VAL CA C 129 60.661 60.661 61.169 -0.508 19752 13502 1 19 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.810 1.741 19752 13503 1 19 . 1 1 129 129 VAL H H 129 8.274 8.274 8.407 -0.133 19752 13504 1 19 . 1 1 130 130 PHE N N 130 122.633 122.633 127.325 -4.692 19752 13505 1 19 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.342 0.202 19752 13506 1 19 . 1 1 130 130 PHE C C 130 175.771 175.771 176.035 -0.264 19752 13507 1 19 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.904 -0.728 19752 13508 1 19 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.511 0.159 19752 13509 1 19 . 1 1 130 130 PHE H H 130 8.464 8.464 9.023 -0.559 19752 13510 1 20 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.771 -0.005 19752 13511 1 20 . 1 1 2 2 ASN C C 2 174.930 174.930 173.996 0.934 19752 13512 1 20 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.331 -0.122 19752 13513 1 20 . 1 1 2 2 ASN CB C 2 39.213 39.213 37.895 1.319 19752 13514 1 20 . 1 1 3 3 ALA N N 3 124.643 124.643 125.940 -1.297 19752 13515 1 20 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.375 -0.111 19752 13516 1 20 . 1 1 3 3 ALA C C 3 177.790 177.790 176.995 0.795 19752 13517 1 20 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.173 0.664 19752 13518 1 20 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.815 -0.575 19752 13519 1 20 . 1 1 3 3 ALA H H 3 8.386 8.386 8.253 0.133 19752 13520 1 20 . 1 1 4 4 LYS N N 4 120.203 120.203 121.807 -1.604 19752 13521 1 20 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.308 -0.085 19752 13522 1 20 . 1 1 4 4 LYS C C 4 176.230 176.230 175.324 0.906 19752 13523 1 20 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.529 0.005 19752 13524 1 20 . 1 1 4 4 LYS CB C 4 32.811 32.811 31.181 1.629 19752 13525 1 20 . 1 1 4 4 LYS H H 4 8.300 8.300 8.423 -0.123 19752 13526 1 20 . 1 1 5 5 ASN N N 5 119.229 119.229 120.741 -1.512 19752 13527 1 20 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.791 -0.123 19752 13528 1 20 . 1 1 5 5 ASN C C 5 175.033 175.033 173.844 1.189 19752 13529 1 20 . 1 1 5 5 ASN CA C 5 53.125 53.125 52.946 0.179 19752 13530 1 20 . 1 1 5 5 ASN CB C 5 38.777 38.777 39.688 -0.911 19752 13531 1 20 . 1 1 5 5 ASN H H 5 8.320 8.320 8.394 -0.074 19752 13532 1 20 . 1 1 6 6 TYR N N 6 120.593 120.593 121.312 -0.719 19752 13533 1 20 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.541 -0.031 19752 13534 1 20 . 1 1 6 6 TYR C C 6 175.554 175.554 177.348 -1.794 19752 13535 1 20 . 1 1 6 6 TYR CA C 6 58.213 58.213 59.822 -1.609 19752 13536 1 20 . 1 1 6 6 TYR CB C 6 38.601 38.601 39.514 -0.913 19752 13537 1 20 . 1 1 6 6 TYR H H 6 8.087 8.087 7.956 0.131 19752 13538 1 20 . 1 1 7 7 MET N N 7 121.477 121.477 117.854 3.623 19752 13539 1 20 . 1 1 7 7 MET HA H 7 4.391 4.391 3.734 0.657 19752 13540 1 20 . 1 1 7 7 MET C C 7 175.609 175.609 174.893 0.716 19752 13541 1 20 . 1 1 7 7 MET CA C 7 55.494 55.494 56.439 -0.945 19752 13542 1 20 . 1 1 7 7 MET CB C 7 32.970 32.970 31.665 1.306 19752 13543 1 20 . 1 1 7 7 MET H H 7 8.121 8.121 7.808 0.313 19752 13544 1 20 . 1 1 8 8 ASP N N 8 121.704 121.704 122.171 -0.467 19752 13545 1 20 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.508 0.047 19752 13546 1 20 . 1 1 8 8 ASP C C 8 176.344 176.344 175.355 0.989 19752 13547 1 20 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.629 -0.158 19752 13548 1 20 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.437 -0.115 19752 13549 1 20 . 1 1 8 8 ASP H H 8 8.189 8.189 7.803 0.386 19752 13550 1 20 . 1 1 9 9 LYS N N 9 122.168 122.168 125.547 -3.379 19752 13551 1 20 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.513 -0.206 19752 13552 1 20 . 1 1 9 9 LYS C C 9 177.267 177.267 175.900 1.367 19752 13553 1 20 . 1 1 9 9 LYS CA C 9 56.622 56.622 55.103 1.519 19752 13554 1 20 . 1 1 9 9 LYS CB C 9 32.765 32.765 35.368 -2.603 19752 13555 1 20 . 1 1 9 9 LYS H H 9 8.335 8.335 8.017 0.318 19752 13556 1 20 . 1 1 10 10 GLY N N 10 109.505 109.505 112.482 -2.977 19752 13557 1 20 . 1 1 10 10 GLY C C 10 174.568 174.568 174.777 -0.209 19752 13558 1 20 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.586 -0.003 19752 13559 1 20 . 1 1 10 10 GLY H H 10 8.497 8.497 8.818 -0.321 19752 13560 1 20 . 1 1 11 11 THR N N 11 113.312 113.312 121.126 -7.814 19752 13561 1 20 . 1 1 11 11 THR HA H 11 4.396 4.396 4.517 -0.121 19752 13562 1 20 . 1 1 11 11 THR C C 11 174.719 174.719 175.909 -1.190 19752 13563 1 20 . 1 1 11 11 THR CA C 11 61.779 61.779 64.374 -2.595 19752 13564 1 20 . 1 1 11 11 THR CB C 11 69.963 69.963 69.499 0.464 19752 13565 1 20 . 1 1 11 11 THR H H 11 8.081 8.081 8.224 -0.143 19752 13566 1 20 . 1 1 12 12 SER N N 12 118.272 118.272 116.311 1.961 19752 13567 1 20 . 1 1 12 12 SER HA H 12 4.499 4.499 4.508 -0.009 19752 13568 1 20 . 1 1 12 12 SER C C 12 174.766 174.766 173.986 0.780 19752 13569 1 20 . 1 1 12 12 SER CA C 12 58.432 58.432 59.920 -1.488 19752 13570 1 20 . 1 1 12 12 SER CB C 12 63.986 63.986 63.658 0.327 19752 13571 1 20 . 1 1 12 12 SER H H 12 8.413 8.413 8.737 -0.324 19752 13572 1 20 . 1 1 13 13 SER N N 13 118.106 118.106 118.087 0.019 19752 13573 1 20 . 1 1 13 13 SER HA H 13 4.518 4.518 4.584 -0.066 19752 13574 1 20 . 1 1 13 13 SER C C 13 174.674 174.674 173.264 1.410 19752 13575 1 20 . 1 1 13 13 SER CA C 13 58.607 58.607 57.342 1.265 19752 13576 1 20 . 1 1 13 13 SER CB C 13 63.869 63.869 63.751 0.118 19752 13577 1 20 . 1 1 13 13 SER H H 13 8.414 8.414 8.089 0.325 19752 13578 1 20 . 1 1 14 14 SER N N 14 117.724 117.724 121.755 -4.031 19752 13579 1 20 . 1 1 14 14 SER HA H 14 4.535 4.535 4.855 -0.320 19752 13580 1 20 . 1 1 14 14 SER C C 14 174.743 174.743 175.619 -0.876 19752 13581 1 20 . 1 1 14 14 SER CA C 14 58.630 58.630 58.087 0.543 19752 13582 1 20 . 1 1 14 14 SER CB C 14 63.798 63.798 62.855 0.943 19752 13583 1 20 . 1 1 14 14 SER H H 14 8.379 8.379 8.648 -0.269 19752 13584 1 20 . 1 1 15 15 THR N N 15 116.549 116.549 116.552 -0.003 19752 13585 1 20 . 1 1 15 15 THR HA H 15 4.336 4.336 4.317 0.019 19752 13586 1 20 . 1 1 15 15 THR C C 15 174.310 174.310 175.578 -1.268 19752 13587 1 20 . 1 1 15 15 THR CA C 15 62.161 62.161 63.628 -1.467 19752 13588 1 20 . 1 1 15 15 THR CB C 15 69.603 69.603 69.101 0.502 19752 13589 1 20 . 1 1 15 15 THR H H 15 8.195 8.195 8.073 0.122 19752 13590 1 20 . 1 1 16 16 VAL N N 16 123.406 123.406 122.408 0.998 19752 13591 1 20 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.047 0.055 19752 13592 1 20 . 1 1 16 16 VAL C C 16 175.934 175.934 175.377 0.557 19752 13593 1 20 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.283 0.229 19752 13594 1 20 . 1 1 16 16 VAL CB C 16 32.738 32.738 30.588 2.150 19752 13595 1 20 . 1 1 16 16 VAL H H 16 8.121 8.121 8.021 0.100 19752 13596 1 20 . 1 1 17 17 VAL N N 17 125.445 125.445 119.716 5.729 19752 13597 1 20 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.371 -0.286 19752 13598 1 20 . 1 1 17 17 VAL C C 17 176.102 176.102 176.165 -0.063 19752 13599 1 20 . 1 1 17 17 VAL CA C 17 62.279 62.279 61.976 0.303 19752 13600 1 20 . 1 1 17 17 VAL CB C 17 32.677 32.677 33.190 -0.513 19752 13601 1 20 . 1 1 17 17 VAL H H 17 8.293 8.293 8.255 0.038 19752 13602 1 20 . 1 1 18 18 LYS N N 18 126.281 126.281 122.157 4.124 19752 13603 1 20 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.559 -0.217 19752 13604 1 20 . 1 1 18 18 LYS C C 18 176.138 176.138 175.421 0.717 19752 13605 1 20 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.134 0.071 19752 13606 1 20 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.238 0.908 19752 13607 1 20 . 1 1 18 18 LYS H H 18 8.478 8.478 7.745 0.733 19752 13608 1 20 . 1 1 19 19 ASP N N 19 121.904 121.904 122.075 -0.171 19752 13609 1 20 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.717 -0.153 19752 13610 1 20 . 1 1 19 19 ASP C C 19 176.698 176.698 175.890 0.808 19752 13611 1 20 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.175 0.210 19752 13612 1 20 . 1 1 19 19 ASP CB C 19 41.223 41.223 42.603 -1.380 19752 13613 1 20 . 1 1 19 19 ASP H H 19 8.379 8.379 8.746 -0.367 19752 13614 1 20 . 1 1 20 20 GLY N N 20 109.177 109.177 109.198 -0.021 19752 13615 1 20 . 1 1 20 20 GLY C C 20 174.374 174.374 173.446 0.928 19752 13616 1 20 . 1 1 20 20 GLY CA C 20 45.638 45.638 44.683 0.955 19752 13617 1 20 . 1 1 20 20 GLY H H 20 8.390 8.390 8.034 0.356 19752 13618 1 20 . 1 1 21 21 LYS N N 21 120.814 120.814 120.465 0.349 19752 13619 1 20 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.525 -0.136 19752 13620 1 20 . 1 1 21 21 LYS C C 21 177.041 177.041 177.301 -0.260 19752 13621 1 20 . 1 1 21 21 LYS CA C 21 56.576 56.576 55.930 0.646 19752 13622 1 20 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.416 0.674 19752 13623 1 20 . 1 1 21 21 LYS H H 21 8.229 8.229 8.287 -0.058 19752 13624 1 20 . 1 1 22 22 THR N N 22 115.105 115.105 118.968 -3.863 19752 13625 1 20 . 1 1 22 22 THR HA H 22 4.393 4.393 4.091 0.302 19752 13626 1 20 . 1 1 22 22 THR C C 22 174.607 174.607 174.463 0.144 19752 13627 1 20 . 1 1 22 22 THR CA C 22 61.880 61.880 63.417 -1.538 19752 13628 1 20 . 1 1 22 22 THR CB C 22 69.736 69.736 68.864 0.872 19752 13629 1 20 . 1 1 22 22 THR H H 22 8.237 8.237 8.453 -0.216 19752 13630 1 20 . 1 1 24 24 SER HA H 24 4.486 4.486 4.628 -0.142 19752 13631 1 20 . 1 1 24 24 SER C C 24 174.299 174.299 173.335 0.964 19752 13632 1 20 . 1 1 24 24 SER CA C 24 58.547 58.547 57.925 0.622 19752 13633 1 20 . 1 1 24 24 SER CB C 24 63.787 63.787 63.164 0.623 19752 13634 1 20 . 1 1 25 25 ALA N N 25 125.891 125.891 128.373 -2.482 19752 13635 1 20 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.682 -0.306 19752 13636 1 20 . 1 1 25 25 ALA C C 25 177.660 177.660 176.834 0.826 19752 13637 1 20 . 1 1 25 25 ALA CA C 25 52.629 52.629 51.879 0.750 19752 13638 1 20 . 1 1 25 25 ALA CB C 25 19.291 19.291 19.189 0.102 19752 13639 1 20 . 1 1 25 25 ALA H H 25 8.328 8.328 8.369 -0.041 19752 13640 1 20 . 1 1 26 26 SER N N 26 115.155 115.155 114.435 0.720 19752 13641 1 20 . 1 1 26 26 SER HA H 26 4.486 4.486 4.277 0.209 19752 13642 1 20 . 1 1 26 26 SER C C 26 174.291 174.291 173.951 0.340 19752 13643 1 20 . 1 1 26 26 SER CA C 26 58.237 58.237 58.692 -0.455 19752 13644 1 20 . 1 1 26 26 SER CB C 26 63.917 63.917 62.808 1.109 19752 13645 1 20 . 1 1 26 26 SER H H 26 8.267 8.267 7.916 0.351 19752 13646 1 20 . 1 1 27 27 THR N N 27 118.324 118.324 112.697 5.627 19752 13647 1 20 . 1 1 27 27 THR HA H 27 4.627 4.627 4.628 -0.001 19752 13648 1 20 . 1 1 27 27 THR C C 27 172.782 172.782 173.528 -0.746 19752 13649 1 20 . 1 1 27 27 THR CA C 27 59.748 59.748 59.525 0.223 19752 13650 1 20 . 1 1 27 27 THR CB C 27 69.702 69.702 69.289 0.413 19752 13651 1 20 . 1 1 27 27 THR H H 27 8.164 8.164 8.181 -0.017 19752 13652 1 20 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.209 0.194 19752 13653 1 20 . 1 1 28 28 PRO C C 28 176.630 176.630 176.806 -0.176 19752 13654 1 20 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.431 -0.181 19752 13655 1 20 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.685 0.480 19752 13656 1 20 . 1 1 29 29 ALA N N 29 124.263 124.263 120.583 3.680 19752 13657 1 20 . 1 1 29 29 ALA HA H 29 4.349 4.349 3.833 0.516 19752 13658 1 20 . 1 1 29 29 ALA C C 29 177.974 177.974 177.241 0.733 19752 13659 1 20 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.021 -0.366 19752 13660 1 20 . 1 1 29 29 ALA CB C 29 19.277 19.277 18.061 1.216 19752 13661 1 20 . 1 1 29 29 ALA H H 29 8.432 8.432 8.394 0.038 19752 13662 1 20 . 1 1 30 30 THR N N 30 113.368 113.368 111.654 1.714 19752 13663 1 20 . 1 1 30 30 THR HA H 30 4.281 4.281 3.794 0.487 19752 13664 1 20 . 1 1 30 30 THR C C 30 174.257 174.257 174.809 -0.552 19752 13665 1 20 . 1 1 30 30 THR CA C 30 61.656 61.656 63.756 -2.100 19752 13666 1 20 . 1 1 30 30 THR CB C 30 69.801 69.801 68.628 1.173 19752 13667 1 20 . 1 1 30 30 THR H H 30 8.106 8.106 8.602 -0.496 19752 13668 1 20 . 1 1 31 31 ARG N N 31 124.700 124.700 121.802 2.898 19752 13669 1 20 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.716 -0.066 19752 13670 1 20 . 1 1 31 31 ARG C C 31 174.094 174.094 173.763 0.331 19752 13671 1 20 . 1 1 31 31 ARG CA C 31 54.051 54.051 53.568 0.483 19752 13672 1 20 . 1 1 31 31 ARG CB C 31 30.374 30.374 30.519 -0.145 19752 13673 1 20 . 1 1 31 31 ARG H H 31 8.318 8.318 7.526 0.792 19752 13674 1 20 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.425 0.074 19752 13675 1 20 . 1 1 32 32 PRO C C 32 177.065 177.065 176.188 0.877 19752 13676 1 20 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.092 -0.032 19752 13677 1 20 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.950 0.207 19752 13678 1 20 . 1 1 33 33 VAL N N 33 120.890 120.890 125.455 -4.565 19752 13679 1 20 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.310 -0.102 19752 13680 1 20 . 1 1 33 33 VAL C C 33 176.668 176.668 174.410 2.258 19752 13681 1 20 . 1 1 33 33 VAL CA C 33 62.608 62.608 61.310 1.298 19752 13682 1 20 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.831 0.916 19752 13683 1 20 . 1 1 33 33 VAL H H 33 8.447 8.447 8.360 0.087 19752 13684 1 20 . 1 1 34 34 THR N N 34 116.709 116.709 122.468 -5.759 19752 13685 1 20 . 1 1 34 34 THR HA H 34 4.377 4.377 5.334 -0.957 19752 13686 1 20 . 1 1 34 34 THR C C 34 174.791 174.791 174.004 0.787 19752 13687 1 20 . 1 1 34 34 THR CA C 34 61.700 61.700 61.440 0.260 19752 13688 1 20 . 1 1 34 34 THR CB C 34 69.697 69.697 71.613 -1.916 19752 13689 1 20 . 1 1 34 34 THR H H 34 8.221 8.221 7.985 0.236 19752 13690 1 20 . 1 1 35 35 GLY N N 35 111.182 111.182 114.771 -3.589 19752 13691 1 20 . 1 1 35 35 GLY C C 35 173.940 173.940 174.573 -0.633 19752 13692 1 20 . 1 1 35 35 GLY CA C 35 45.656 45.656 46.189 -0.533 19752 13693 1 20 . 1 1 35 35 GLY H H 35 8.376 8.376 8.786 -0.410 19752 13694 1 20 . 1 1 36 36 SER N N 36 116.779 116.779 117.039 -0.260 19752 13695 1 20 . 1 1 36 36 SER HA H 36 4.456 4.456 4.410 0.046 19752 13696 1 20 . 1 1 36 36 SER C C 36 173.880 173.880 174.277 -0.397 19752 13697 1 20 . 1 1 36 36 SER CA C 36 58.255 58.255 60.458 -2.203 19752 13698 1 20 . 1 1 36 36 SER CB C 36 64.195 64.195 63.639 0.556 19752 13699 1 20 . 1 1 36 36 SER H H 36 8.456 8.456 8.346 0.110 19752 13700 1 20 . 1 1 37 37 TRP N N 37 121.744 121.744 121.726 0.018 19752 13701 1 20 . 1 1 37 37 TRP HA H 37 4.528 4.528 5.019 -0.491 19752 13702 1 20 . 1 1 37 37 TRP C C 37 176.500 176.500 175.931 0.569 19752 13703 1 20 . 1 1 37 37 TRP CA C 37 58.090 58.090 56.842 1.248 19752 13704 1 20 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.498 0.509 19752 13705 1 20 . 1 1 37 37 TRP H H 37 8.171 8.171 8.139 0.032 19752 13706 1 20 . 1 1 38 38 LYS N N 38 123.158 123.158 122.705 0.453 19752 13707 1 20 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.804 -0.178 19752 13708 1 20 . 1 1 38 38 LYS C C 38 172.839 172.839 174.804 -1.965 19752 13709 1 20 . 1 1 38 38 LYS CA C 38 55.156 55.156 54.398 0.758 19752 13710 1 20 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.939 0.717 19752 13711 1 20 . 1 1 38 38 LYS H H 38 8.736 8.736 9.179 -0.443 19752 13712 1 20 . 1 1 39 39 LYS N N 39 121.526 121.526 125.109 -3.583 19752 13713 1 20 . 1 1 39 39 LYS HA H 39 4.740 4.740 3.768 0.972 19752 13714 1 20 . 1 1 39 39 LYS C C 39 177.510 177.510 176.010 1.500 19752 13715 1 20 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.637 -1.321 19752 13716 1 20 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.139 1.218 19752 13717 1 20 . 1 1 39 39 LYS H H 39 8.123 8.123 8.399 -0.276 19752 13718 1 20 . 1 1 40 40 ASN N N 40 123.988 123.988 125.009 -1.021 19752 13719 1 20 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.818 0.238 19752 13720 1 20 . 1 1 40 40 ASN C C 40 177.524 177.524 175.950 1.574 19752 13721 1 20 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.461 -1.621 19752 13722 1 20 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.715 -1.560 19752 13723 1 20 . 1 1 40 40 ASN H H 40 8.583 8.583 8.943 -0.360 19752 13724 1 20 . 1 1 41 41 GLN N N 41 116.529 116.529 121.865 -5.336 19752 13725 1 20 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.013 0.047 19752 13726 1 20 . 1 1 41 41 GLN C C 41 175.829 175.829 176.196 -0.367 19752 13727 1 20 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.557 0.204 19752 13728 1 20 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.054 -0.107 19752 13729 1 20 . 1 1 41 41 GLN H H 41 8.856 8.856 8.767 0.089 19752 13730 1 20 . 1 1 42 42 TYR N N 42 119.255 119.255 116.193 3.062 19752 13731 1 20 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.395 0.256 19752 13732 1 20 . 1 1 42 42 TYR C C 42 175.782 175.782 176.685 -0.903 19752 13733 1 20 . 1 1 42 42 TYR CA C 42 57.120 57.120 58.285 -1.165 19752 13734 1 20 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.472 -0.354 19752 13735 1 20 . 1 1 42 42 TYR H H 42 7.604 7.604 7.273 0.331 19752 13736 1 20 . 1 1 43 43 GLY N N 43 106.354 106.354 108.194 -1.840 19752 13737 1 20 . 1 1 43 43 GLY C C 43 173.297 173.297 174.109 -0.812 19752 13738 1 20 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.143 0.020 19752 13739 1 20 . 1 1 43 43 GLY H H 43 7.993 7.993 8.018 -0.025 19752 13740 1 20 . 1 1 44 44 THR N N 44 120.062 120.062 116.882 3.180 19752 13741 1 20 . 1 1 44 44 THR HA H 44 4.176 4.176 4.915 -0.739 19752 13742 1 20 . 1 1 44 44 THR C C 44 173.969 173.969 173.720 0.249 19752 13743 1 20 . 1 1 44 44 THR CA C 44 62.132 62.132 62.016 0.116 19752 13744 1 20 . 1 1 44 44 THR CB C 44 68.989 68.989 70.394 -1.405 19752 13745 1 20 . 1 1 44 44 THR H H 44 7.781 7.781 7.222 0.559 19752 13746 1 20 . 1 1 45 45 TRP N N 45 129.666 129.666 128.426 1.240 19752 13747 1 20 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.378 0.298 19752 13748 1 20 . 1 1 45 45 TRP C C 45 175.999 175.999 176.329 -0.330 19752 13749 1 20 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.774 -0.168 19752 13750 1 20 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.803 -0.162 19752 13751 1 20 . 1 1 45 45 TRP H H 45 8.041 8.041 9.058 -1.017 19752 13752 1 20 . 1 1 46 46 TYR N N 46 122.938 122.938 119.846 3.092 19752 13753 1 20 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.064 0.274 19752 13754 1 20 . 1 1 46 46 TYR C C 46 173.663 173.663 173.693 -0.030 19752 13755 1 20 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.188 1.119 19752 13756 1 20 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.133 1.992 19752 13757 1 20 . 1 1 46 46 TYR H H 46 10.329 10.329 9.589 0.740 19752 13758 1 20 . 1 1 47 47 LYS N N 47 118.986 118.986 119.373 -0.387 19752 13759 1 20 . 1 1 47 47 LYS HA H 47 4.771 4.771 5.146 -0.375 19752 13760 1 20 . 1 1 47 47 LYS C C 47 172.462 172.462 174.140 -1.678 19752 13761 1 20 . 1 1 47 47 LYS CA C 47 53.712 53.712 51.997 1.715 19752 13762 1 20 . 1 1 47 47 LYS CB C 47 34.118 34.118 33.790 0.328 19752 13763 1 20 . 1 1 47 47 LYS H H 47 8.923 8.923 9.113 -0.190 19752 13764 1 20 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.828 -0.026 19752 13765 1 20 . 1 1 48 48 PRO C C 48 176.747 176.747 176.204 0.543 19752 13766 1 20 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.605 0.060 19752 13767 1 20 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.482 0.557 19752 13768 1 20 . 1 1 49 49 GLU N N 49 125.285 125.285 123.404 1.881 19752 13769 1 20 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.450 -0.462 19752 13770 1 20 . 1 1 49 49 GLU C C 49 170.927 170.927 174.165 -3.238 19752 13771 1 20 . 1 1 49 49 GLU CA C 49 57.870 57.870 56.197 1.673 19752 13772 1 20 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.680 0.550 19752 13773 1 20 . 1 1 49 49 GLU H H 49 7.771 7.771 8.742 -0.971 19752 13774 1 20 . 1 1 50 50 ASN N N 50 122.328 122.328 123.586 -1.258 19752 13775 1 20 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.658 -0.260 19752 13776 1 20 . 1 1 50 50 ASN C C 50 173.648 173.648 173.598 0.050 19752 13777 1 20 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.629 -0.943 19752 13778 1 20 . 1 1 50 50 ASN CB C 50 39.646 39.646 40.332 -0.686 19752 13779 1 20 . 1 1 50 50 ASN H H 50 8.148 8.148 8.438 -0.290 19752 13780 1 20 . 1 1 51 51 ALA N N 51 126.527 126.527 128.175 -1.648 19752 13781 1 20 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.487 -0.034 19752 13782 1 20 . 1 1 51 51 ALA C C 51 172.872 172.872 174.329 -1.457 19752 13783 1 20 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.346 0.251 19752 13784 1 20 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.405 -2.735 19752 13785 1 20 . 1 1 51 51 ALA H H 51 7.085 7.085 8.483 -1.398 19752 13786 1 20 . 1 1 52 52 THR N N 52 112.831 112.831 115.778 -2.947 19752 13787 1 20 . 1 1 52 52 THR HA H 52 5.167 5.167 4.777 0.390 19752 13788 1 20 . 1 1 52 52 THR C C 52 172.852 172.852 173.066 -0.214 19752 13789 1 20 . 1 1 52 52 THR CA C 52 62.232 62.232 61.709 0.523 19752 13790 1 20 . 1 1 52 52 THR CB C 52 71.068 71.068 70.060 1.008 19752 13791 1 20 . 1 1 52 52 THR H H 52 8.036 8.036 8.714 -0.678 19752 13792 1 20 . 1 1 53 53 PHE N N 53 127.883 127.883 129.840 -1.957 19752 13793 1 20 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.325 -0.002 19752 13794 1 20 . 1 1 53 53 PHE C C 53 172.928 172.928 173.407 -0.479 19752 13795 1 20 . 1 1 53 53 PHE CA C 53 55.275 55.275 56.149 -0.874 19752 13796 1 20 . 1 1 53 53 PHE CB C 53 43.205 43.205 41.607 1.598 19752 13797 1 20 . 1 1 53 53 PHE H H 53 9.714 9.714 9.550 0.164 19752 13798 1 20 . 1 1 54 54 VAL N N 54 127.284 127.284 128.171 -0.887 19752 13799 1 20 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.254 0.066 19752 13800 1 20 . 1 1 54 54 VAL C C 54 175.842 175.842 174.313 1.529 19752 13801 1 20 . 1 1 54 54 VAL CA C 54 60.152 60.152 59.869 0.283 19752 13802 1 20 . 1 1 54 54 VAL CB C 54 31.738 31.738 31.828 -0.090 19752 13803 1 20 . 1 1 54 54 VAL H H 54 8.583 8.583 8.833 -0.250 19752 13804 1 20 . 1 1 55 55 ASN N N 55 125.723 125.723 125.478 0.245 19752 13805 1 20 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.099 0.061 19752 13806 1 20 . 1 1 55 55 ASN C C 55 176.333 176.333 175.013 1.320 19752 13807 1 20 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.343 0.246 19752 13808 1 20 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.487 -0.842 19752 13809 1 20 . 1 1 55 55 ASN H H 55 8.970 8.970 8.436 0.534 19752 13810 1 20 . 1 1 56 56 GLY N N 56 114.389 114.389 114.176 0.213 19752 13811 1 20 . 1 1 56 56 GLY C C 56 173.882 173.882 174.973 -1.091 19752 13812 1 20 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.996 -1.320 19752 13813 1 20 . 1 1 56 56 GLY H H 56 8.360 8.360 8.351 0.009 19752 13814 1 20 . 1 1 57 57 ASN N N 57 115.511 115.511 119.973 -4.462 19752 13815 1 20 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.741 -0.230 19752 13816 1 20 . 1 1 57 57 ASN C C 57 174.741 174.741 175.048 -0.307 19752 13817 1 20 . 1 1 57 57 ASN CA C 57 54.213 54.213 54.552 -0.339 19752 13818 1 20 . 1 1 57 57 ASN CB C 57 38.629 38.629 40.141 -1.512 19752 13819 1 20 . 1 1 57 57 ASN H H 57 8.149 8.149 8.407 -0.258 19752 13820 1 20 . 1 1 58 58 GLN N N 58 118.128 118.128 117.105 1.023 19752 13821 1 20 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.716 0.244 19752 13822 1 20 . 1 1 58 58 GLN C C 58 172.603 172.603 173.171 -0.568 19752 13823 1 20 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.734 -0.101 19752 13824 1 20 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.278 1.290 19752 13825 1 20 . 1 1 58 58 GLN H H 58 7.702 7.702 7.675 0.027 19752 13826 1 20 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.619 0.321 19752 13827 1 20 . 1 1 59 59 PRO C C 59 176.506 176.506 176.253 0.253 19752 13828 1 20 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.904 -0.648 19752 13829 1 20 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.119 0.541 19752 13830 1 20 . 1 1 60 60 ILE N N 60 120.974 120.974 125.137 -4.163 19752 13831 1 20 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.024 0.250 19752 13832 1 20 . 1 1 60 60 ILE C C 60 175.190 175.190 174.848 0.342 19752 13833 1 20 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.136 0.550 19752 13834 1 20 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.329 2.416 19752 13835 1 20 . 1 1 60 60 ILE H H 60 8.126 8.126 8.763 -0.637 19752 13836 1 20 . 1 1 61 61 VAL N N 61 128.224 128.224 129.740 -1.516 19752 13837 1 20 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.574 -0.461 19752 13838 1 20 . 1 1 61 61 VAL C C 61 175.973 175.973 175.918 0.055 19752 13839 1 20 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.032 3.244 19752 13840 1 20 . 1 1 61 61 VAL CB C 61 31.930 31.930 31.768 0.162 19752 13841 1 20 . 1 1 61 61 VAL H H 61 8.421 8.421 8.577 -0.156 19752 13842 1 20 . 1 1 62 62 THR N N 62 118.454 118.454 123.228 -4.774 19752 13843 1 20 . 1 1 62 62 THR HA H 62 5.021 5.021 4.574 0.447 19752 13844 1 20 . 1 1 62 62 THR C C 62 174.936 174.936 174.225 0.711 19752 13845 1 20 . 1 1 62 62 THR CA C 62 61.286 61.286 61.204 0.082 19752 13846 1 20 . 1 1 62 62 THR CB C 62 71.133 71.133 70.543 0.590 19752 13847 1 20 . 1 1 62 62 THR H H 62 7.989 7.989 9.066 -1.077 19752 13848 1 20 . 1 1 63 63 ARG N N 63 118.225 118.225 118.366 -0.141 19752 13849 1 20 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.196 0.233 19752 13850 1 20 . 1 1 63 63 ARG C C 63 175.607 175.607 175.305 0.302 19752 13851 1 20 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.370 -0.723 19752 13852 1 20 . 1 1 63 63 ARG CB C 63 33.603 33.603 32.926 0.677 19752 13853 1 20 . 1 1 63 63 ARG H H 63 9.336 9.336 9.011 0.325 19752 13854 1 20 . 1 1 64 64 ILE N N 64 119.746 119.746 122.283 -2.537 19752 13855 1 20 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.017 0.448 19752 13856 1 20 . 1 1 64 64 ILE C C 64 179.206 179.206 177.212 1.994 19752 13857 1 20 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.594 -1.405 19752 13858 1 20 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.044 0.204 19752 13859 1 20 . 1 1 64 64 ILE H H 64 8.741 8.741 8.647 0.094 19752 13860 1 20 . 1 1 65 65 GLY N N 65 116.059 116.059 117.111 -1.052 19752 13861 1 20 . 1 1 65 65 GLY C C 65 174.185 174.185 173.293 0.892 19752 13862 1 20 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.348 1.323 19752 13863 1 20 . 1 1 65 65 GLY H H 65 9.316 9.316 9.240 0.076 19752 13864 1 20 . 1 1 66 66 SER N N 66 114.840 114.840 114.049 0.791 19752 13865 1 20 . 1 1 66 66 SER HA H 66 4.160 4.160 3.880 0.280 19752 13866 1 20 . 1 1 66 66 SER C C 66 170.281 170.281 171.660 -1.379 19752 13867 1 20 . 1 1 66 66 SER CA C 66 56.207 56.207 55.154 1.053 19752 13868 1 20 . 1 1 66 66 SER CB C 66 63.737 63.737 65.647 -1.910 19752 13869 1 20 . 1 1 66 66 SER H H 66 7.412 7.412 7.141 0.271 19752 13870 1 20 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.716 -1.077 19752 13871 1 20 . 1 1 67 67 PRO C C 67 170.030 170.030 174.115 -4.085 19752 13872 1 20 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.615 -1.946 19752 13873 1 20 . 1 1 67 67 PRO CB C 67 25.910 25.910 30.849 -4.939 19752 13874 1 20 . 1 1 68 68 PHE N N 68 111.778 111.778 119.382 -7.604 19752 13875 1 20 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.428 0.065 19752 13876 1 20 . 1 1 68 68 PHE C C 68 177.055 177.055 175.727 1.328 19752 13877 1 20 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.771 -1.143 19752 13878 1 20 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.164 2.194 19752 13879 1 20 . 1 1 68 68 PHE H H 68 6.610 6.610 7.113 -0.503 19752 13880 1 20 . 1 1 69 69 LEU N N 69 119.491 119.491 121.888 -2.397 19752 13881 1 20 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.526 -0.213 19752 13882 1 20 . 1 1 69 69 LEU C C 69 176.326 176.326 177.943 -1.617 19752 13883 1 20 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.430 -1.199 19752 13884 1 20 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.630 -0.760 19752 13885 1 20 . 1 1 69 69 LEU H H 69 8.388 8.388 8.925 -0.537 19752 13886 1 20 . 1 1 70 70 ASN N N 70 112.229 112.229 116.020 -3.791 19752 13887 1 20 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.752 0.090 19752 13888 1 20 . 1 1 70 70 ASN C C 70 175.620 175.620 174.580 1.040 19752 13889 1 20 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.203 -0.535 19752 13890 1 20 . 1 1 70 70 ASN CB C 70 37.653 37.653 36.926 0.727 19752 13891 1 20 . 1 1 70 70 ASN H H 70 7.675 7.675 8.460 -0.785 19752 13892 1 20 . 1 1 71 71 ALA N N 71 123.955 123.955 123.982 -0.027 19752 13893 1 20 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.493 0.066 19752 13894 1 20 . 1 1 71 71 ALA C C 71 174.274 174.274 175.474 -1.200 19752 13895 1 20 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.591 0.879 19752 13896 1 20 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.447 -0.604 19752 13897 1 20 . 1 1 71 71 ALA H H 71 7.152 7.152 7.214 -0.062 19752 13898 1 20 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.295 0.118 19752 13899 1 20 . 1 1 72 72 PRO C C 72 176.342 176.342 175.791 0.551 19752 13900 1 20 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.562 -0.443 19752 13901 1 20 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.471 0.685 19752 13902 1 20 . 1 1 73 73 VAL N N 73 121.078 121.078 118.892 2.186 19752 13903 1 20 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.474 -0.190 19752 13904 1 20 . 1 1 73 73 VAL C C 73 177.864 177.864 177.454 0.410 19752 13905 1 20 . 1 1 73 73 VAL CA C 73 63.277 63.277 59.392 3.885 19752 13906 1 20 . 1 1 73 73 VAL CB C 73 32.724 32.724 33.865 -1.141 19752 13907 1 20 . 1 1 73 73 VAL H H 73 8.328 8.328 8.094 0.234 19752 13908 1 20 . 1 1 74 74 GLY N N 74 114.118 114.118 109.116 5.002 19752 13909 1 20 . 1 1 74 74 GLY C C 74 173.963 173.963 173.754 0.209 19752 13910 1 20 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.786 -0.001 19752 13911 1 20 . 1 1 74 74 GLY H H 74 8.781 8.781 8.854 -0.073 19752 13912 1 20 . 1 1 75 75 GLY N N 75 107.324 107.324 109.308 -1.984 19752 13913 1 20 . 1 1 75 75 GLY C C 75 173.460 173.460 172.348 1.112 19752 13914 1 20 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.400 -0.652 19752 13915 1 20 . 1 1 75 75 GLY H H 75 7.278 7.278 7.853 -0.575 19752 13916 1 20 . 1 1 76 76 ASN N N 76 119.682 119.682 121.934 -2.252 19752 13917 1 20 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.199 0.223 19752 13918 1 20 . 1 1 76 76 ASN C C 76 175.760 175.760 174.099 1.661 19752 13919 1 20 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.494 -0.217 19752 13920 1 20 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.177 -1.964 19752 13921 1 20 . 1 1 76 76 ASN H H 76 8.797 8.797 8.568 0.229 19752 13922 1 20 . 1 1 77 77 LEU N N 77 129.545 129.545 128.114 1.431 19752 13923 1 20 . 1 1 77 77 LEU HA H 77 4.871 4.871 5.013 -0.142 19752 13924 1 20 . 1 1 77 77 LEU C C 77 174.374 174.374 174.471 -0.097 19752 13925 1 20 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.328 0.886 19752 13926 1 20 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.793 -0.722 19752 13927 1 20 . 1 1 77 77 LEU H H 77 10.083 10.083 9.017 1.066 19752 13928 1 20 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.507 -0.178 19752 13929 1 20 . 1 1 78 78 PRO C C 78 177.553 177.553 176.069 1.484 19752 13930 1 20 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.048 0.533 19752 13931 1 20 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.685 0.036 19752 13932 1 20 . 1 1 79 79 ALA N N 79 125.294 125.294 121.683 3.611 19752 13933 1 20 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.018 0.242 19752 13934 1 20 . 1 1 79 79 ALA C C 79 179.984 179.984 178.021 1.963 19752 13935 1 20 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.605 0.573 19752 13936 1 20 . 1 1 79 79 ALA CB C 79 18.246 18.246 18.936 -0.690 19752 13937 1 20 . 1 1 79 79 ALA H H 79 8.585 8.585 8.119 0.466 19752 13938 1 20 . 1 1 80 80 GLY N N 80 110.970 110.970 111.217 -0.247 19752 13939 1 20 . 1 1 80 80 GLY C C 80 173.499 173.499 174.108 -0.609 19752 13940 1 20 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.855 1.099 19752 13941 1 20 . 1 1 80 80 GLY H H 80 8.004 8.004 8.699 -0.695 19752 13942 1 20 . 1 1 81 81 ALA N N 81 122.249 122.249 124.231 -1.982 19752 13943 1 20 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.320 -0.069 19752 13944 1 20 . 1 1 81 81 ALA C C 81 175.709 175.709 175.781 -0.072 19752 13945 1 20 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.673 0.092 19752 13946 1 20 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.169 1.684 19752 13947 1 20 . 1 1 81 81 ALA H H 81 7.363 7.363 7.418 -0.055 19752 13948 1 20 . 1 1 82 82 THR N N 82 114.980 114.980 120.823 -5.843 19752 13949 1 20 . 1 1 82 82 THR HA H 82 5.171 5.171 5.309 -0.138 19752 13950 1 20 . 1 1 82 82 THR C C 82 174.618 174.618 173.882 0.736 19752 13951 1 20 . 1 1 82 82 THR CA C 82 62.118 62.118 61.752 0.366 19752 13952 1 20 . 1 1 82 82 THR CB C 82 70.555 70.555 69.912 0.644 19752 13953 1 20 . 1 1 82 82 THR H H 82 8.181 8.181 8.226 -0.045 19752 13954 1 20 . 1 1 83 83 ILE N N 83 127.480 127.480 129.359 -1.879 19752 13955 1 20 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.331 0.073 19752 13956 1 20 . 1 1 83 83 ILE C C 83 173.926 173.926 174.357 -0.431 19752 13957 1 20 . 1 1 83 83 ILE CA C 83 58.339 58.339 59.118 -0.779 19752 13958 1 20 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.974 1.254 19752 13959 1 20 . 1 1 83 83 ILE H H 83 9.627 9.627 9.265 0.362 19752 13960 1 20 . 1 1 84 84 VAL N N 84 128.246 128.246 128.078 0.168 19752 13961 1 20 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.267 0.406 19752 13962 1 20 . 1 1 84 84 VAL C C 84 175.501 175.501 175.069 0.432 19752 13963 1 20 . 1 1 84 84 VAL CA C 84 62.135 62.135 61.358 0.777 19752 13964 1 20 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.889 -1.233 19752 13965 1 20 . 1 1 84 84 VAL H H 84 8.059 8.059 8.466 -0.407 19752 13966 1 20 . 1 1 85 85 TYR N N 85 126.862 126.862 125.713 1.149 19752 13967 1 20 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.905 0.520 19752 13968 1 20 . 1 1 85 85 TYR C C 85 174.273 174.273 173.960 0.313 19752 13969 1 20 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.861 -0.050 19752 13970 1 20 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.395 1.881 19752 13971 1 20 . 1 1 85 85 TYR H H 85 8.840 8.840 8.862 -0.022 19752 13972 1 20 . 1 1 86 86 ASP N N 86 115.086 115.086 121.746 -6.660 19752 13973 1 20 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.914 0.554 19752 13974 1 20 . 1 1 86 86 ASP C C 86 177.943 177.943 175.125 2.818 19752 13975 1 20 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.648 0.555 19752 13976 1 20 . 1 1 86 86 ASP CB C 86 43.575 43.575 42.877 0.698 19752 13977 1 20 . 1 1 86 86 ASP H H 86 8.843 8.843 8.987 -0.144 19752 13978 1 20 . 1 1 87 87 GLU N N 87 124.208 124.208 120.241 3.967 19752 13979 1 20 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.136 -0.021 19752 13980 1 20 . 1 1 87 87 GLU C C 87 173.613 173.613 174.606 -0.993 19752 13981 1 20 . 1 1 87 87 GLU CA C 87 55.772 55.772 54.942 0.830 19752 13982 1 20 . 1 1 87 87 GLU CB C 87 35.507 35.507 32.466 3.041 19752 13983 1 20 . 1 1 87 87 GLU H H 87 8.121 8.121 7.654 0.467 19752 13984 1 20 . 1 1 88 88 VAL N N 88 121.754 121.754 127.202 -5.448 19752 13985 1 20 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.655 1.059 19752 13986 1 20 . 1 1 88 88 VAL C C 88 175.480 175.480 174.954 0.526 19752 13987 1 20 . 1 1 88 88 VAL CA C 88 59.770 59.770 60.999 -1.230 19752 13988 1 20 . 1 1 88 88 VAL CB C 88 35.644 35.644 33.307 2.337 19752 13989 1 20 . 1 1 88 88 VAL H H 88 8.822 8.822 8.976 -0.154 19752 13990 1 20 . 1 1 89 89 CYS N N 89 118.234 118.234 125.824 -7.590 19752 13991 1 20 . 1 1 89 89 CYS HA H 89 6.299 6.299 5.923 0.376 19752 13992 1 20 . 1 1 89 89 CYS C C 89 174.126 174.126 174.297 -0.171 19752 13993 1 20 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.770 -0.685 19752 13994 1 20 . 1 1 89 89 CYS CB C 89 33.104 33.104 32.336 0.768 19752 13995 1 20 . 1 1 89 89 CYS H H 89 9.404 9.404 9.527 -0.123 19752 13996 1 20 . 1 1 90 90 ILE N N 90 122.085 122.085 122.605 -0.520 19752 13997 1 20 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.643 0.590 19752 13998 1 20 . 1 1 90 90 ILE C C 90 176.210 176.210 174.035 2.175 19752 13999 1 20 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.678 0.881 19752 14000 1 20 . 1 1 90 90 ILE CB C 90 41.489 41.489 40.377 1.112 19752 14001 1 20 . 1 1 90 90 ILE H H 90 9.773 9.773 9.536 0.237 19752 14002 1 20 . 1 1 91 91 GLN N N 91 125.884 125.884 127.858 -1.974 19752 14003 1 20 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.827 -0.208 19752 14004 1 20 . 1 1 91 91 GLN C C 91 176.019 176.019 174.547 1.472 19752 14005 1 20 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.353 1.869 19752 14006 1 20 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.202 -1.009 19752 14007 1 20 . 1 1 91 91 GLN H H 91 8.910 8.910 8.448 0.462 19752 14008 1 20 . 1 1 92 92 ALA N N 92 131.300 131.300 130.414 0.886 19752 14009 1 20 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.110 0.414 19752 14010 1 20 . 1 1 92 92 ALA C C 92 178.514 178.514 177.072 1.442 19752 14011 1 20 . 1 1 92 92 ALA CA C 92 53.466 53.466 54.068 -0.602 19752 14012 1 20 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.305 -0.036 19752 14013 1 20 . 1 1 92 92 ALA H H 92 9.888 9.888 9.136 0.752 19752 14014 1 20 . 1 1 93 93 GLY N N 93 107.622 107.622 112.700 -5.078 19752 14015 1 20 . 1 1 93 93 GLY C C 93 174.796 174.796 173.613 1.183 19752 14016 1 20 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.783 1.687 19752 14017 1 20 . 1 1 93 93 GLY H H 93 9.675 9.675 8.376 1.299 19752 14018 1 20 . 1 1 94 94 HIS N N 94 118.233 118.233 118.590 -0.357 19752 14019 1 20 . 1 1 94 94 HIS HA H 94 4.826 4.826 4.892 -0.066 19752 14020 1 20 . 1 1 94 94 HIS C C 94 173.575 173.575 172.717 0.858 19752 14021 1 20 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.574 0.646 19752 14022 1 20 . 1 1 94 94 HIS CB C 94 31.733 31.733 33.902 -2.169 19752 14023 1 20 . 1 1 94 94 HIS H H 94 8.337 8.337 8.418 -0.081 19752 14024 1 20 . 1 1 95 95 ILE N N 95 118.964 118.964 120.398 -1.434 19752 14025 1 20 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.430 0.781 19752 14026 1 20 . 1 1 95 95 ILE C C 95 174.555 174.555 173.691 0.864 19752 14027 1 20 . 1 1 95 95 ILE CA C 95 60.982 60.982 60.179 0.803 19752 14028 1 20 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.441 -1.658 19752 14029 1 20 . 1 1 95 95 ILE H H 95 8.116 8.116 8.443 -0.327 19752 14030 1 20 . 1 1 96 96 TRP N N 96 127.092 127.092 127.953 -0.861 19752 14031 1 20 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.701 -0.224 19752 14032 1 20 . 1 1 96 96 TRP C C 96 176.216 176.216 175.689 0.527 19752 14033 1 20 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.112 -0.869 19752 14034 1 20 . 1 1 96 96 TRP CB C 96 31.768 31.768 33.073 -1.305 19752 14035 1 20 . 1 1 96 96 TRP H H 96 9.869 9.869 9.232 0.637 19752 14036 1 20 . 1 1 97 97 ILE N N 97 113.283 113.283 117.939 -4.656 19752 14037 1 20 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.173 0.299 19752 14038 1 20 . 1 1 97 97 ILE C C 97 175.278 175.278 175.046 0.232 19752 14039 1 20 . 1 1 97 97 ILE CA C 97 59.184 59.184 58.856 0.328 19752 14040 1 20 . 1 1 97 97 ILE CB C 97 39.649 39.649 40.175 -0.526 19752 14041 1 20 . 1 1 97 97 ILE H H 97 8.893 8.893 8.999 -0.106 19752 14042 1 20 . 1 1 98 98 GLY N N 98 109.684 109.684 113.629 -3.945 19752 14043 1 20 . 1 1 98 98 GLY C C 98 172.048 172.048 172.433 -0.385 19752 14044 1 20 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.717 1.403 19752 14045 1 20 . 1 1 98 98 GLY H H 98 9.043 9.043 8.814 0.229 19752 14046 1 20 . 1 1 99 99 TYR N N 99 117.809 117.809 122.009 -4.200 19752 14047 1 20 . 1 1 99 99 TYR HA H 99 4.908 4.908 4.930 -0.022 19752 14048 1 20 . 1 1 99 99 TYR C C 99 172.626 172.626 172.741 -0.115 19752 14049 1 20 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.226 1.033 19752 14050 1 20 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.702 -0.555 19752 14051 1 20 . 1 1 99 99 TYR H H 99 8.434 8.434 8.385 0.049 19752 14052 1 20 . 1 1 100 100 ASN N N 100 117.139 117.139 119.873 -2.734 19752 14053 1 20 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.273 0.013 19752 14054 1 20 . 1 1 100 100 ASN C C 100 175.315 175.315 174.495 0.820 19752 14055 1 20 . 1 1 100 100 ASN CA C 100 51.986 51.986 51.915 0.071 19752 14056 1 20 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.541 -1.166 19752 14057 1 20 . 1 1 100 100 ASN H H 100 8.844 8.844 8.510 0.334 19752 14058 1 20 . 1 1 101 101 ALA N N 101 126.218 126.218 128.523 -2.305 19752 14059 1 20 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.783 -0.146 19752 14060 1 20 . 1 1 101 101 ALA C C 101 179.095 179.095 178.895 0.200 19752 14061 1 20 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.722 0.490 19752 14062 1 20 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.165 0.477 19752 14063 1 20 . 1 1 101 101 ALA H H 101 8.870 8.870 9.006 -0.136 19752 14064 1 20 . 1 1 102 102 TYR N N 102 121.067 121.067 119.023 2.044 19752 14065 1 20 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.290 0.049 19752 14066 1 20 . 1 1 102 102 TYR C C 102 175.986 175.986 175.575 0.411 19752 14067 1 20 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.311 -0.167 19752 14068 1 20 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.816 -0.163 19752 14069 1 20 . 1 1 102 102 TYR H H 102 8.720 8.720 8.876 -0.156 19752 14070 1 20 . 1 1 103 103 ASN N N 103 115.289 115.289 117.032 -1.743 19752 14071 1 20 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.524 -0.112 19752 14072 1 20 . 1 1 103 103 ASN C C 103 175.963 175.963 176.006 -0.043 19752 14073 1 20 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.290 -0.044 19752 14074 1 20 . 1 1 103 103 ASN CB C 103 37.245 37.245 37.257 -0.012 19752 14075 1 20 . 1 1 103 103 ASN H H 103 7.490 7.490 7.331 0.159 19752 14076 1 20 . 1 1 104 104 GLY N N 104 107.204 107.204 108.390 -1.186 19752 14077 1 20 . 1 1 104 104 GLY C C 104 174.620 174.620 173.499 1.121 19752 14078 1 20 . 1 1 104 104 GLY CA C 104 45.128 45.128 44.905 0.223 19752 14079 1 20 . 1 1 104 104 GLY H H 104 8.020 8.020 8.076 -0.056 19752 14080 1 20 . 1 1 105 105 ASN N N 105 118.581 118.581 120.315 -1.734 19752 14081 1 20 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.532 0.044 19752 14082 1 20 . 1 1 105 105 ASN C C 105 173.805 173.805 174.000 -0.195 19752 14083 1 20 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.712 0.318 19752 14084 1 20 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.151 -0.167 19752 14085 1 20 . 1 1 105 105 ASN H H 105 7.703 7.703 7.844 -0.141 19752 14086 1 20 . 1 1 106 106 ARG N N 106 123.191 123.191 127.560 -4.369 19752 14087 1 20 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.529 0.035 19752 14088 1 20 . 1 1 106 106 ARG C C 106 174.360 174.360 174.879 -0.519 19752 14089 1 20 . 1 1 106 106 ARG CA C 106 54.662 54.662 54.893 -0.231 19752 14090 1 20 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.779 0.829 19752 14091 1 20 . 1 1 106 106 ARG H H 106 8.635 8.635 8.684 -0.049 19752 14092 1 20 . 1 1 107 107 VAL N N 107 128.482 128.482 126.279 2.203 19752 14093 1 20 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.510 0.043 19752 14094 1 20 . 1 1 107 107 VAL C C 107 172.290 172.290 173.924 -1.634 19752 14095 1 20 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.924 -0.240 19752 14096 1 20 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.505 0.972 19752 14097 1 20 . 1 1 107 107 VAL H H 107 8.668 8.668 8.424 0.244 19752 14098 1 20 . 1 1 108 108 TYR N N 108 119.055 119.055 124.880 -5.825 19752 14099 1 20 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.421 0.072 19752 14100 1 20 . 1 1 108 108 TYR C C 108 175.215 175.215 174.967 0.248 19752 14101 1 20 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.352 0.220 19752 14102 1 20 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.261 1.174 19752 14103 1 20 . 1 1 108 108 TYR H H 108 8.944 8.944 9.139 -0.195 19752 14104 1 20 . 1 1 109 109 CYS N N 109 124.377 124.377 122.712 1.665 19752 14105 1 20 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.020 0.425 19752 14106 1 20 . 1 1 109 109 CYS C C 109 171.899 171.899 173.421 -1.522 19752 14107 1 20 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.670 -1.505 19752 14108 1 20 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.204 -1.401 19752 14109 1 20 . 1 1 109 109 CYS H H 109 9.675 9.675 8.936 0.739 19752 14110 1 20 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.314 0.865 19752 14111 1 20 . 1 1 110 110 PRO C C 110 175.490 175.490 176.912 -1.422 19752 14112 1 20 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.225 -0.627 19752 14113 1 20 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.676 -1.220 19752 14114 1 20 . 1 1 111 111 VAL N N 111 109.293 109.293 113.462 -4.169 19752 14115 1 20 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.491 0.918 19752 14116 1 20 . 1 1 111 111 VAL C C 111 173.598 173.598 174.644 -1.046 19752 14117 1 20 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.138 -4.045 19752 14118 1 20 . 1 1 111 111 VAL CB C 111 33.521 33.521 30.171 3.350 19752 14119 1 20 . 1 1 111 111 VAL H H 111 8.382 8.382 7.384 0.998 19752 14120 1 20 . 1 1 112 112 ARG N N 112 110.825 110.825 117.809 -6.984 19752 14121 1 20 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.348 -1.190 19752 14122 1 20 . 1 1 112 112 ARG C C 112 175.480 175.480 174.294 1.186 19752 14123 1 20 . 1 1 112 112 ARG CA C 112 54.449 54.449 54.372 0.077 19752 14124 1 20 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.435 -1.289 19752 14125 1 20 . 1 1 112 112 ARG H H 112 6.735 6.735 7.798 -1.063 19752 14126 1 20 . 1 1 113 113 THR N N 113 111.002 111.002 123.185 -12.183 19752 14127 1 20 . 1 1 113 113 THR HA H 113 4.238 4.238 4.307 -0.069 19752 14128 1 20 . 1 1 113 113 THR C C 113 174.123 174.123 173.466 0.657 19752 14129 1 20 . 1 1 113 113 THR CA C 113 62.468 62.468 64.467 -1.999 19752 14130 1 20 . 1 1 113 113 THR CB C 113 70.502 70.502 69.335 1.167 19752 14131 1 20 . 1 1 113 113 THR H H 113 8.898 8.898 7.762 1.136 19752 14132 1 20 . 1 1 114 114 CYS N N 114 119.522 119.522 123.859 -4.337 19752 14133 1 20 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.585 -1.070 19752 14134 1 20 . 1 1 114 114 CYS C C 114 172.669 172.669 172.774 -0.105 19752 14135 1 20 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.196 2.421 19752 14136 1 20 . 1 1 114 114 CYS CB C 114 29.545 29.545 32.216 -2.671 19752 14137 1 20 . 1 1 114 114 CYS H H 114 7.936 7.936 8.413 -0.477 19752 14138 1 20 . 1 1 115 115 GLN N N 115 129.342 129.342 121.295 8.047 19752 14139 1 20 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.589 0.039 19752 14140 1 20 . 1 1 115 115 GLN C C 115 175.456 175.456 174.182 1.274 19752 14141 1 20 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.682 -0.440 19752 14142 1 20 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.809 -0.633 19752 14143 1 20 . 1 1 115 115 GLN H H 115 7.963 7.963 8.632 -0.669 19752 14144 1 20 . 1 1 116 116 GLY N N 116 112.311 112.311 112.229 0.082 19752 14145 1 20 . 1 1 116 116 GLY C C 116 171.907 171.907 172.308 -0.401 19752 14146 1 20 . 1 1 116 116 GLY CA C 116 44.217 44.217 45.298 -1.081 19752 14147 1 20 . 1 1 116 116 GLY H H 116 8.591 8.591 8.186 0.405 19752 14148 1 20 . 1 1 117 117 VAL N N 117 110.113 110.113 114.774 -4.661 19752 14149 1 20 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.604 -0.466 19752 14150 1 20 . 1 1 117 117 VAL C C 117 171.857 171.857 173.290 -1.433 19752 14151 1 20 . 1 1 117 117 VAL CA C 117 57.957 57.957 57.535 0.422 19752 14152 1 20 . 1 1 117 117 VAL CB C 117 32.549 32.549 33.744 -1.195 19752 14153 1 20 . 1 1 117 117 VAL H H 117 7.745 7.745 7.793 -0.048 19752 14154 1 20 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.783 0.713 19752 14155 1 20 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.090 -0.600 19752 14156 1 20 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.615 -0.855 19752 14157 1 20 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.089 0.287 19752 14158 1 20 . 1 1 119 119 PRO C C 119 176.006 176.006 176.001 0.005 19752 14159 1 20 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.411 1.744 19752 14160 1 20 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.373 1.662 19752 14161 1 20 . 1 1 120 120 ASN N N 120 124.472 124.472 120.596 3.876 19752 14162 1 20 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.745 0.159 19752 14163 1 20 . 1 1 120 120 ASN C C 120 172.963 172.963 173.984 -1.021 19752 14164 1 20 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.327 0.788 19752 14165 1 20 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.379 0.848 19752 14166 1 20 . 1 1 120 120 ASN H H 120 8.414 8.414 7.927 0.487 19752 14167 1 20 . 1 1 121 121 HIS N N 121 120.276 120.276 119.402 0.874 19752 14168 1 20 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.831 -0.404 19752 14169 1 20 . 1 1 121 121 HIS C C 121 174.788 174.788 174.132 0.656 19752 14170 1 20 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.871 1.829 19752 14171 1 20 . 1 1 121 121 HIS CB C 121 30.708 30.708 31.038 -0.331 19752 14172 1 20 . 1 1 121 121 HIS H H 121 8.591 8.591 7.893 0.698 19752 14173 1 20 . 1 1 122 122 ILE N N 122 120.474 120.474 124.717 -4.243 19752 14174 1 20 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.376 -0.031 19752 14175 1 20 . 1 1 122 122 ILE C C 122 174.718 174.718 174.407 0.311 19752 14176 1 20 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.523 -0.393 19752 14177 1 20 . 1 1 122 122 ILE CB C 122 39.770 39.770 38.224 1.546 19752 14178 1 20 . 1 1 122 122 ILE H H 122 8.883 8.883 8.929 -0.046 19752 14179 1 20 . 1 1 123 123 PRO HA H 123 4.496 4.496 4.872 -0.376 19752 14180 1 20 . 1 1 123 123 PRO C C 123 177.104 177.104 176.840 0.264 19752 14181 1 20 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.928 0.679 19752 14182 1 20 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.161 0.368 19752 14183 1 20 . 1 1 124 124 GLY N N 124 111.030 111.030 112.349 -1.319 19752 14184 1 20 . 1 1 124 124 GLY C C 124 173.906 173.906 173.574 0.332 19752 14185 1 20 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.087 -0.970 19752 14186 1 20 . 1 1 124 124 GLY H H 124 8.553 8.553 8.654 -0.101 19752 14187 1 20 . 1 1 125 125 VAL N N 125 121.916 121.916 121.557 0.359 19752 14188 1 20 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.925 -0.005 19752 14189 1 20 . 1 1 125 125 VAL C C 125 176.148 176.148 175.221 0.927 19752 14190 1 20 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.883 0.755 19752 14191 1 20 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.419 -0.301 19752 14192 1 20 . 1 1 125 125 VAL H H 125 8.493 8.493 8.254 0.239 19752 14193 1 20 . 1 1 126 126 ALA N N 126 127.872 127.872 129.551 -1.679 19752 14194 1 20 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.282 0.208 19752 14195 1 20 . 1 1 126 126 ALA C C 126 179.447 179.447 177.064 2.383 19752 14196 1 20 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.234 1.435 19752 14197 1 20 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.042 0.586 19752 14198 1 20 . 1 1 126 126 ALA H H 126 8.835 8.835 8.138 0.697 19752 14199 1 20 . 1 1 127 127 TRP N N 127 121.928 121.928 123.135 -1.207 19752 14200 1 20 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.849 0.264 19752 14201 1 20 . 1 1 127 127 TRP C C 127 174.684 174.684 175.722 -1.038 19752 14202 1 20 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.319 -0.690 19752 14203 1 20 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.594 -2.440 19752 14204 1 20 . 1 1 127 127 TRP H H 127 8.555 8.555 8.937 -0.382 19752 14205 1 20 . 1 1 128 128 GLY N N 128 103.981 103.981 104.727 -0.746 19752 14206 1 20 . 1 1 128 128 GLY C C 128 171.694 171.694 172.391 -0.697 19752 14207 1 20 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.631 1.058 19752 14208 1 20 . 1 1 128 128 GLY H H 128 7.280 7.280 7.585 -0.305 19752 14209 1 20 . 1 1 129 129 VAL N N 129 119.078 119.078 120.651 -1.573 19752 14210 1 20 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.417 -0.074 19752 14211 1 20 . 1 1 129 129 VAL C C 129 173.255 173.255 174.717 -1.462 19752 14212 1 20 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.342 0.319 19752 14213 1 20 . 1 1 129 129 VAL CB C 129 35.551 35.551 33.885 1.666 19752 14214 1 20 . 1 1 129 129 VAL H H 129 8.274 8.274 8.428 -0.154 19752 14215 1 20 . 1 1 130 130 PHE N N 130 122.633 122.633 126.461 -3.828 19752 14216 1 20 . 1 1 130 130 PHE HA H 130 5.544 5.544 4.943 0.601 19752 14217 1 20 . 1 1 130 130 PHE C C 130 175.771 175.771 175.775 -0.004 19752 14218 1 20 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.531 -0.355 19752 14219 1 20 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.181 0.489 19752 14220 1 20 . 1 1 130 130 PHE H H 130 8.464 8.464 8.860 -0.396 19752 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 115 3.423 0.176 3.433 19752 2 1 1 "Average Difference" HA 143 0.405 -0.016 0.406 19752 3 1 1 "Average Difference" C 127 1.150 -0.226 1.132 19752 4 1 1 "Average Difference" CA 128 1.150 -0.003 1.154 19752 5 1 1 "Average Difference" CB 113 1.432 0.043 1.437 19752 6 1 1 "Average Difference" HN 115 0.509 -0.034 0.510 19752 7 1 2 "Average Difference" N 115 3.028 0.650 2.970 19752 8 1 2 "Average Difference" HA 143 0.376 -0.033 0.376 19752 9 1 2 "Average Difference" C 127 1.070 -0.054 1.072 19752 10 1 2 "Average Difference" CA 128 1.140 0.007 1.145 19752 11 1 2 "Average Difference" CB 113 1.314 -0.102 1.316 19752 12 1 2 "Average Difference" HN 115 0.472 -0.016 0.473 19752 13 1 3 "Average Difference" N 115 3.337 0.587 3.299 19752 14 1 3 "Average Difference" HA 143 0.383 -0.054 0.380 19752 15 1 3 "Average Difference" C 127 1.062 -0.125 1.059 19752 16 1 3 "Average Difference" CA 128 1.135 0.007 1.139 19752 17 1 3 "Average Difference" CB 113 1.352 -0.102 1.354 19752 18 1 3 "Average Difference" HN 115 0.481 -0.032 0.482 19752 19 1 4 "Average Difference" N 115 3.093 1.129 2.892 19752 20 1 4 "Average Difference" HA 143 0.376 -0.039 0.376 19752 21 1 4 "Average Difference" C 127 1.096 -0.149 1.090 19752 22 1 4 "Average Difference" CA 128 1.119 -0.049 1.122 19752 23 1 4 "Average Difference" CB 113 1.441 -0.130 1.441 19752 24 1 4 "Average Difference" HN 115 0.456 0.003 0.458 19752 25 1 5 "Average Difference" N 115 3.007 0.923 2.875 19752 26 1 5 "Average Difference" HA 143 0.347 -0.036 0.346 19752 27 1 5 "Average Difference" C 127 1.062 -0.142 1.057 19752 28 1 5 "Average Difference" CA 128 1.111 -0.020 1.115 19752 29 1 5 "Average Difference" CB 113 1.306 -0.132 1.306 19752 30 1 5 "Average Difference" HN 115 0.452 -0.042 0.452 19752 31 1 6 "Average Difference" N 115 3.396 1.035 3.249 19752 32 1 6 "Average Difference" HA 143 0.384 -0.019 0.385 19752 33 1 6 "Average Difference" C 127 1.097 -0.142 1.092 19752 34 1 6 "Average Difference" CA 128 1.142 -0.038 1.146 19752 35 1 6 "Average Difference" CB 113 1.392 -0.106 1.394 19752 36 1 6 "Average Difference" HN 115 0.515 -0.050 0.515 19752 37 1 7 "Average Difference" N 115 3.323 0.764 3.248 19752 38 1 7 "Average Difference" HA 143 0.390 -0.039 0.390 19752 39 1 7 "Average Difference" C 127 1.043 -0.093 1.043 19752 40 1 7 "Average Difference" CA 128 1.112 0.004 1.116 19752 41 1 7 "Average Difference" CB 113 1.302 -0.076 1.306 19752 42 1 7 "Average Difference" HN 115 0.445 -0.035 0.446 19752 43 1 8 "Average Difference" N 115 3.127 0.758 3.047 19752 44 1 8 "Average Difference" HA 143 0.362 -0.043 0.361 19752 45 1 8 "Average Difference" C 127 1.166 -0.145 1.162 19752 46 1 8 "Average Difference" CA 128 1.189 -0.043 1.193 19752 47 1 8 "Average Difference" CB 113 1.318 -0.078 1.321 19752 48 1 8 "Average Difference" HN 115 0.475 -0.078 0.470 19752 49 1 9 "Average Difference" N 115 3.296 1.259 3.060 19752 50 1 9 "Average Difference" HA 143 0.366 -0.030 0.366 19752 51 1 9 "Average Difference" C 127 1.069 -0.163 1.061 19752 52 1 9 "Average Difference" CA 128 1.082 -0.089 1.082 19752 53 1 9 "Average Difference" CB 113 1.335 -0.068 1.339 19752 54 1 9 "Average Difference" HN 115 0.477 0.004 0.479 19752 55 1 10 "Average Difference" N 115 3.245 1.123 3.058 19752 56 1 10 "Average Difference" HA 143 0.378 -0.041 0.377 19752 57 1 10 "Average Difference" C 127 1.156 -0.197 1.144 19752 58 1 10 "Average Difference" CA 128 1.160 0.010 1.164 19752 59 1 10 "Average Difference" CB 113 1.331 -0.103 1.333 19752 60 1 10 "Average Difference" HN 115 0.481 0.015 0.483 19752 61 1 11 "Average Difference" N 115 3.261 0.806 3.174 19752 62 1 11 "Average Difference" HA 143 0.388 -0.028 0.388 19752 63 1 11 "Average Difference" C 127 1.118 -0.098 1.118 19752 64 1 11 "Average Difference" CA 128 1.207 -0.047 1.211 19752 65 1 11 "Average Difference" CB 113 1.409 -0.137 1.408 19752 66 1 11 "Average Difference" HN 115 0.452 0.004 0.454 19752 67 1 12 "Average Difference" N 115 3.336 1.020 3.190 19752 68 1 12 "Average Difference" HA 143 0.385 -0.042 0.384 19752 69 1 12 "Average Difference" C 127 1.082 -0.047 1.085 19752 70 1 12 "Average Difference" CA 128 1.188 0.023 1.192 19752 71 1 12 "Average Difference" CB 113 1.298 -0.094 1.300 19752 72 1 12 "Average Difference" HN 115 0.465 0.012 0.467 19752 73 1 13 "Average Difference" N 115 3.414 0.821 3.329 19752 74 1 13 "Average Difference" HA 143 0.368 -0.038 0.367 19752 75 1 13 "Average Difference" C 127 1.041 -0.079 1.042 19752 76 1 13 "Average Difference" CA 128 1.122 -0.085 1.124 19752 77 1 13 "Average Difference" CB 113 1.348 -0.100 1.350 19752 78 1 13 "Average Difference" HN 115 0.470 -0.048 0.469 19752 79 1 14 "Average Difference" N 115 3.320 1.272 3.080 19752 80 1 14 "Average Difference" HA 143 0.382 -0.046 0.380 19752 81 1 14 "Average Difference" C 127 1.038 -0.108 1.036 19752 82 1 14 "Average Difference" CA 128 1.094 -0.058 1.097 19752 83 1 14 "Average Difference" CB 113 1.354 -0.095 1.356 19752 84 1 14 "Average Difference" HN 115 0.471 0.007 0.473 19752 85 1 15 "Average Difference" N 115 3.381 0.745 3.313 19752 86 1 15 "Average Difference" HA 143 0.385 -0.044 0.384 19752 87 1 15 "Average Difference" C 127 1.081 -0.077 1.083 19752 88 1 15 "Average Difference" CA 128 1.309 0.105 1.310 19752 89 1 15 "Average Difference" CB 113 1.351 -0.085 1.354 19752 90 1 15 "Average Difference" HN 115 0.455 -0.023 0.457 19752 91 1 16 "Average Difference" N 115 3.130 0.791 3.042 19752 92 1 16 "Average Difference" HA 143 0.369 -0.040 0.368 19752 93 1 16 "Average Difference" C 127 1.102 -0.153 1.096 19752 94 1 16 "Average Difference" CA 128 1.183 0.010 1.188 19752 95 1 16 "Average Difference" CB 113 1.401 -0.021 1.408 19752 96 1 16 "Average Difference" HN 115 0.485 -0.077 0.481 19752 97 1 17 "Average Difference" N 115 3.306 0.818 3.217 19752 98 1 17 "Average Difference" HA 143 0.391 -0.018 0.392 19752 99 1 17 "Average Difference" C 127 1.108 -0.221 1.090 19752 100 1 17 "Average Difference" CA 128 1.155 -0.077 1.157 19752 101 1 17 "Average Difference" CB 113 1.304 -0.024 1.310 19752 102 1 17 "Average Difference" HN 115 0.488 -0.019 0.489 19752 103 1 18 "Average Difference" N 115 3.260 0.766 3.183 19752 104 1 18 "Average Difference" HA 143 0.379 -0.054 0.377 19752 105 1 18 "Average Difference" C 127 1.058 -0.120 1.056 19752 106 1 18 "Average Difference" CA 128 1.153 0.087 1.154 19752 107 1 18 "Average Difference" CB 113 1.404 -0.106 1.407 19752 108 1 18 "Average Difference" HN 115 0.471 -0.044 0.471 19752 109 1 19 "Average Difference" N 115 3.295 1.228 3.071 19752 110 1 19 "Average Difference" HA 143 0.386 -0.021 0.387 19752 111 1 19 "Average Difference" C 127 1.092 -0.170 1.083 19752 112 1 19 "Average Difference" CA 128 1.071 -0.096 1.071 19752 113 1 19 "Average Difference" CB 113 1.334 -0.077 1.338 19752 114 1 19 "Average Difference" HN 115 0.484 -0.011 0.486 19752 115 1 20 "Average Difference" N 115 3.440 1.195 3.240 19752 116 1 20 "Average Difference" HA 143 0.393 -0.045 0.391 19752 117 1 20 "Average Difference" C 127 1.104 -0.158 1.097 19752 118 1 20 "Average Difference" CA 128 1.114 -0.051 1.117 19752 119 1 20 "Average Difference" CB 113 1.317 -0.097 1.319 19752 120 1 20 "Average Difference" HN 115 0.466 -0.004 0.468 19752 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 19752 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN HA H 2 4.766 4.766 4.809 -0.043 19752 2 1 . 1 1 2 2 ASN C C 2 174.930 174.930 174.678 0.252 19752 3 1 . 1 1 2 2 ASN CA C 2 53.209 53.209 53.482 -0.273 19752 4 1 . 1 1 2 2 ASN CB C 2 39.213 39.213 39.044 0.169 19752 5 1 . 1 1 3 3 ALA N N 3 124.643 124.643 124.156 0.487 19752 6 1 . 1 1 3 3 ALA HA H 3 4.264 4.264 4.383 -0.119 19752 7 1 . 1 1 3 3 ALA C C 3 177.790 177.790 176.943 0.847 19752 8 1 . 1 1 3 3 ALA CA C 3 52.837 52.837 52.317 0.520 19752 9 1 . 1 1 3 3 ALA CB C 3 19.240 19.240 19.526 -0.286 19752 10 1 . 1 1 3 3 ALA H H 3 8.386 8.386 8.228 0.158 19752 11 1 . 1 1 4 4 LYS N N 4 120.203 120.203 120.389 -0.186 19752 12 1 . 1 1 4 4 LYS HA H 4 4.223 4.223 4.234 -0.011 19752 13 1 . 1 1 4 4 LYS C C 4 176.230 176.230 175.822 0.408 19752 14 1 . 1 1 4 4 LYS CA C 4 56.534 56.534 56.439 0.095 19752 15 1 . 1 1 4 4 LYS CB C 4 32.811 32.811 32.423 0.388 19752 16 1 . 1 1 4 4 LYS H H 4 8.300 8.300 8.471 -0.171 19752 17 1 . 1 1 5 5 ASN N N 5 119.229 119.229 119.734 -0.505 19752 18 1 . 1 1 5 5 ASN HA H 5 4.668 4.668 4.647 0.021 19752 19 1 . 1 1 5 5 ASN C C 5 175.033 175.033 174.320 0.713 19752 20 1 . 1 1 5 5 ASN CA C 5 53.125 53.125 53.370 -0.245 19752 21 1 . 1 1 5 5 ASN CB C 5 38.777 38.777 38.756 0.021 19752 22 1 . 1 1 5 5 ASN H H 5 8.320 8.320 8.267 0.053 19752 23 1 . 1 1 6 6 TYR N N 6 120.593 120.593 121.592 -0.999 19752 24 1 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.534 -0.024 19752 25 1 . 1 1 6 6 TYR C C 6 175.554 175.554 175.504 0.050 19752 26 1 . 1 1 6 6 TYR CA C 6 58.213 58.213 58.202 0.011 19752 27 1 . 1 1 6 6 TYR CB C 6 38.601 38.601 38.818 -0.216 19752 28 1 . 1 1 6 6 TYR H H 6 8.087 8.087 8.199 -0.112 19752 29 1 . 1 1 7 7 MET N N 7 121.477 121.477 121.269 0.208 19752 30 1 . 1 1 7 7 MET HA H 7 4.391 4.391 4.469 -0.078 19752 31 1 . 1 1 7 7 MET C C 7 175.609 175.609 175.051 0.558 19752 32 1 . 1 1 7 7 MET CA C 7 55.494 55.494 55.347 0.148 19752 33 1 . 1 1 7 7 MET CB C 7 32.970 32.970 32.801 0.169 19752 34 1 . 1 1 7 7 MET H H 7 8.121 8.121 8.230 -0.109 19752 35 1 . 1 1 8 8 ASP N N 8 121.704 121.704 122.904 -1.200 19752 36 1 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.656 -0.101 19752 37 1 . 1 1 8 8 ASP C C 8 176.344 176.344 175.713 0.631 19752 38 1 . 1 1 8 8 ASP CA C 8 54.471 54.471 54.256 0.215 19752 39 1 . 1 1 8 8 ASP CB C 8 41.322 41.322 41.472 -0.150 19752 40 1 . 1 1 8 8 ASP H H 8 8.189 8.189 8.291 -0.102 19752 41 1 . 1 1 9 9 LYS N N 9 122.168 122.168 122.560 -0.392 19752 42 1 . 1 1 9 9 LYS HA H 9 4.307 4.307 4.346 -0.039 19752 43 1 . 1 1 9 9 LYS C C 9 177.267 177.267 176.365 0.902 19752 44 1 . 1 1 9 9 LYS CA C 9 56.622 56.622 56.221 0.401 19752 45 1 . 1 1 9 9 LYS CB C 9 32.765 32.765 32.699 0.066 19752 46 1 . 1 1 9 9 LYS H H 9 8.335 8.335 8.253 0.082 19752 47 1 . 1 1 10 10 GLY N N 10 109.505 109.505 111.484 -1.979 19752 48 1 . 1 1 10 10 GLY C C 10 174.568 174.568 174.376 0.192 19752 49 1 . 1 1 10 10 GLY CA C 10 45.583 45.583 45.190 0.393 19752 50 1 . 1 1 10 10 GLY H H 10 8.497 8.497 8.424 0.073 19752 51 1 . 1 1 11 11 THR N N 11 113.312 113.312 116.973 -3.661 19752 52 1 . 1 1 11 11 THR HA H 11 4.396 4.396 4.328 0.068 19752 53 1 . 1 1 11 11 THR C C 11 174.719 174.719 174.448 0.271 19752 54 1 . 1 1 11 11 THR CA C 11 61.779 61.779 62.639 -0.860 19752 55 1 . 1 1 11 11 THR CB C 11 69.963 69.963 69.134 0.829 19752 56 1 . 1 1 11 11 THR H H 11 8.081 8.081 8.012 0.069 19752 57 1 . 1 1 12 12 SER N N 12 118.272 118.272 120.140 -1.868 19752 58 1 . 1 1 12 12 SER HA H 12 4.499 4.499 4.510 -0.011 19752 59 1 . 1 1 12 12 SER C C 12 174.766 174.766 174.204 0.562 19752 60 1 . 1 1 12 12 SER CA C 12 58.432 58.432 58.894 -0.462 19752 61 1 . 1 1 12 12 SER CB C 12 63.986 63.986 63.483 0.503 19752 62 1 . 1 1 12 12 SER H H 12 8.413 8.413 8.485 -0.072 19752 63 1 . 1 1 13 13 SER N N 13 118.106 118.106 118.970 -0.864 19752 64 1 . 1 1 13 13 SER HA H 13 4.518 4.518 4.497 0.021 19752 65 1 . 1 1 13 13 SER C C 13 174.674 174.674 174.242 0.432 19752 66 1 . 1 1 13 13 SER CA C 13 58.607 58.607 58.659 -0.052 19752 67 1 . 1 1 13 13 SER CB C 13 63.869 63.869 63.812 0.057 19752 68 1 . 1 1 13 13 SER H H 13 8.414 8.414 8.211 0.203 19752 69 1 . 1 1 14 14 SER N N 14 117.724 117.724 119.304 -1.580 19752 70 1 . 1 1 14 14 SER HA H 14 4.535 4.535 4.497 0.038 19752 71 1 . 1 1 14 14 SER C C 14 174.743 174.743 174.507 0.236 19752 72 1 . 1 1 14 14 SER CA C 14 58.630 58.630 58.903 -0.273 19752 73 1 . 1 1 14 14 SER CB C 14 63.798 63.798 63.268 0.530 19752 74 1 . 1 1 14 14 SER H H 14 8.379 8.379 8.448 -0.069 19752 75 1 . 1 1 15 15 THR N N 15 116.549 116.549 117.806 -1.257 19752 76 1 . 1 1 15 15 THR HA H 15 4.336 4.336 4.285 0.051 19752 77 1 . 1 1 15 15 THR C C 15 174.310 174.310 174.355 -0.045 19752 78 1 . 1 1 15 15 THR CA C 15 62.161 62.161 62.997 -0.836 19752 79 1 . 1 1 15 15 THR CB C 15 69.603 69.603 68.915 0.688 19752 80 1 . 1 1 15 15 THR H H 15 8.195 8.195 8.194 0.001 19752 81 1 . 1 1 16 16 VAL N N 16 123.406 123.406 121.967 1.439 19752 82 1 . 1 1 16 16 VAL HA H 16 4.102 4.102 4.213 -0.111 19752 83 1 . 1 1 16 16 VAL C C 16 175.934 175.934 175.750 0.184 19752 84 1 . 1 1 16 16 VAL CA C 16 62.512 62.512 62.263 0.249 19752 85 1 . 1 1 16 16 VAL CB C 16 32.738 32.738 32.225 0.513 19752 86 1 . 1 1 16 16 VAL H H 16 8.121 8.121 8.042 0.079 19752 87 1 . 1 1 17 17 VAL N N 17 125.445 125.445 122.050 3.395 19752 88 1 . 1 1 17 17 VAL HA H 17 4.085 4.085 4.076 0.009 19752 89 1 . 1 1 17 17 VAL C C 17 176.102 176.102 175.712 0.390 19752 90 1 . 1 1 17 17 VAL CA C 17 62.279 62.279 62.787 -0.508 19752 91 1 . 1 1 17 17 VAL CB C 17 32.677 32.677 31.935 0.742 19752 92 1 . 1 1 17 17 VAL H H 17 8.293 8.293 8.078 0.215 19752 93 1 . 1 1 18 18 LYS N N 18 126.281 126.281 122.681 3.600 19752 94 1 . 1 1 18 18 LYS HA H 18 4.342 4.342 4.304 0.038 19752 95 1 . 1 1 18 18 LYS C C 18 176.138 176.138 175.493 0.644 19752 96 1 . 1 1 18 18 LYS CA C 18 56.205 56.205 56.371 -0.167 19752 97 1 . 1 1 18 18 LYS CB C 18 33.146 33.146 32.583 0.563 19752 98 1 . 1 1 18 18 LYS H H 18 8.478 8.478 8.159 0.319 19752 99 1 . 1 1 19 19 ASP N N 19 121.904 121.904 121.353 0.551 19752 100 1 . 1 1 19 19 ASP HA H 19 4.564 4.564 4.640 -0.076 19752 101 1 . 1 1 19 19 ASP C C 19 176.698 176.698 176.035 0.663 19752 102 1 . 1 1 19 19 ASP CA C 19 54.385 54.385 54.280 0.105 19752 103 1 . 1 1 19 19 ASP CB C 19 41.223 41.223 41.960 -0.737 19752 104 1 . 1 1 19 19 ASP H H 19 8.379 8.379 8.208 0.171 19752 105 1 . 1 1 20 20 GLY N N 20 109.177 109.177 109.919 -0.742 19752 106 1 . 1 1 20 20 GLY C C 20 174.374 174.374 174.064 0.310 19752 107 1 . 1 1 20 20 GLY CA C 20 45.638 45.638 45.160 0.478 19752 108 1 . 1 1 20 20 GLY H H 20 8.390 8.390 8.367 0.023 19752 109 1 . 1 1 21 21 LYS N N 21 120.814 120.814 121.553 -0.739 19752 110 1 . 1 1 21 21 LYS HA H 21 4.389 4.389 4.332 0.057 19752 111 1 . 1 1 21 21 LYS C C 21 177.041 177.041 176.165 0.877 19752 112 1 . 1 1 21 21 LYS CA C 21 56.576 56.576 56.461 0.115 19752 113 1 . 1 1 21 21 LYS CB C 21 33.090 33.090 32.163 0.927 19752 114 1 . 1 1 21 21 LYS H H 21 8.229 8.229 8.318 -0.089 19752 115 1 . 1 1 22 22 THR N N 22 115.105 115.105 116.437 -1.332 19752 116 1 . 1 1 22 22 THR HA H 22 4.393 4.393 4.349 0.044 19752 117 1 . 1 1 22 22 THR C C 22 174.607 174.607 174.314 0.293 19752 118 1 . 1 1 22 22 THR CA C 22 61.880 61.880 62.394 -0.514 19752 119 1 . 1 1 22 22 THR CB C 22 69.736 69.736 69.086 0.650 19752 120 1 . 1 1 22 22 THR H H 22 8.237 8.237 8.257 -0.020 19752 121 1 . 1 1 24 24 SER HA H 24 4.486 4.486 4.450 0.036 19752 122 1 . 1 1 24 24 SER C C 24 174.299 174.299 174.272 0.027 19752 123 1 . 1 1 24 24 SER CA C 24 58.547 58.547 58.789 -0.242 19752 124 1 . 1 1 24 24 SER CB C 24 63.787 63.787 63.449 0.338 19752 125 1 . 1 1 25 25 ALA N N 25 125.891 125.891 126.089 -0.198 19752 126 1 . 1 1 25 25 ALA HA H 25 4.376 4.376 4.325 0.051 19752 127 1 . 1 1 25 25 ALA C C 25 177.660 177.660 177.166 0.494 19752 128 1 . 1 1 25 25 ALA CA C 25 52.629 52.629 52.641 -0.012 19752 129 1 . 1 1 25 25 ALA CB C 25 19.291 19.291 18.906 0.385 19752 130 1 . 1 1 25 25 ALA H H 25 8.328 8.328 8.196 0.132 19752 131 1 . 1 1 26 26 SER N N 26 115.155 115.155 115.837 -0.682 19752 132 1 . 1 1 26 26 SER HA H 26 4.486 4.486 4.459 0.027 19752 133 1 . 1 1 26 26 SER C C 26 174.291 174.291 174.049 0.242 19752 134 1 . 1 1 26 26 SER CA C 26 58.237 58.237 58.866 -0.629 19752 135 1 . 1 1 26 26 SER CB C 26 63.917 63.917 63.438 0.479 19752 136 1 . 1 1 26 26 SER H H 26 8.267 8.267 8.359 -0.092 19752 137 1 . 1 1 27 27 THR N N 27 118.324 118.324 117.178 1.146 19752 138 1 . 1 1 27 27 THR HA H 27 4.627 4.627 4.585 0.042 19752 139 1 . 1 1 27 27 THR C C 27 172.782 172.782 173.057 -0.275 19752 140 1 . 1 1 27 27 THR CA C 27 59.748 59.748 60.410 -0.662 19752 141 1 . 1 1 27 27 THR CB C 27 69.702 69.702 68.974 0.728 19752 142 1 . 1 1 27 27 THR H H 27 8.164 8.164 7.972 0.192 19752 143 1 . 1 1 28 28 PRO HA H 28 4.403 4.403 4.434 -0.031 19752 144 1 . 1 1 28 28 PRO C C 28 176.630 176.630 176.519 0.111 19752 145 1 . 1 1 28 28 PRO CA C 28 63.250 63.250 63.408 -0.158 19752 146 1 . 1 1 28 28 PRO CB C 28 32.165 32.165 31.470 0.695 19752 147 1 . 1 1 29 29 ALA N N 29 124.263 124.263 122.538 1.725 19752 148 1 . 1 1 29 29 ALA HA H 29 4.349 4.349 4.177 0.172 19752 149 1 . 1 1 29 29 ALA C C 29 177.974 177.974 177.735 0.239 19752 150 1 . 1 1 29 29 ALA CA C 29 52.655 52.655 53.379 -0.724 19752 151 1 . 1 1 29 29 ALA CB C 29 19.277 19.277 18.384 0.893 19752 152 1 . 1 1 29 29 ALA H H 29 8.432 8.432 8.129 0.303 19752 153 1 . 1 1 30 30 THR N N 30 113.368 113.368 113.152 0.216 19752 154 1 . 1 1 30 30 THR HA H 30 4.281 4.281 4.175 0.106 19752 155 1 . 1 1 30 30 THR C C 30 174.257 174.257 174.697 -0.440 19752 156 1 . 1 1 30 30 THR CA C 30 61.656 61.656 63.264 -1.608 19752 157 1 . 1 1 30 30 THR CB C 30 69.801 69.801 68.605 1.196 19752 158 1 . 1 1 30 30 THR H H 30 8.106 8.106 8.260 -0.154 19752 159 1 . 1 1 31 31 ARG N N 31 124.700 124.700 121.667 3.033 19752 160 1 . 1 1 31 31 ARG HA H 31 4.650 4.650 4.509 0.141 19752 161 1 . 1 1 31 31 ARG C C 31 174.094 174.094 174.704 -0.610 19752 162 1 . 1 1 31 31 ARG CA C 31 54.051 54.051 56.489 -2.438 19752 163 1 . 1 1 31 31 ARG CB C 31 30.374 30.374 29.519 0.855 19752 164 1 . 1 1 31 31 ARG H H 31 8.318 8.318 8.137 0.181 19752 165 1 . 1 1 32 32 PRO HA H 32 4.499 4.499 4.484 0.015 19752 166 1 . 1 1 32 32 PRO C C 32 177.065 177.065 176.377 0.688 19752 167 1 . 1 1 32 32 PRO CA C 32 63.060 63.060 63.131 -0.071 19752 168 1 . 1 1 32 32 PRO CB C 32 32.157 32.157 31.424 0.733 19752 169 1 . 1 1 33 33 VAL N N 33 120.890 120.890 120.849 0.041 19752 170 1 . 1 1 33 33 VAL HA H 33 4.208 4.208 4.131 0.077 19752 171 1 . 1 1 33 33 VAL C C 33 176.668 176.668 176.009 0.659 19752 172 1 . 1 1 33 33 VAL CA C 33 62.608 62.608 62.739 -0.131 19752 173 1 . 1 1 33 33 VAL CB C 33 32.747 32.747 31.913 0.834 19752 174 1 . 1 1 33 33 VAL H H 33 8.447 8.447 8.030 0.417 19752 175 1 . 1 1 34 34 THR N N 34 116.709 116.709 116.775 -0.066 19752 176 1 . 1 1 34 34 THR HA H 34 4.377 4.377 4.520 -0.143 19752 177 1 . 1 1 34 34 THR C C 34 174.791 174.791 174.779 0.012 19752 178 1 . 1 1 34 34 THR CA C 34 61.700 61.700 62.018 -0.318 19752 179 1 . 1 1 34 34 THR CB C 34 69.697 69.697 68.970 0.727 19752 180 1 . 1 1 34 34 THR H H 34 8.221 8.221 8.109 0.112 19752 181 1 . 1 1 35 35 GLY N N 35 111.182 111.182 112.010 -0.828 19752 182 1 . 1 1 35 35 GLY C C 35 173.940 173.940 174.798 -0.858 19752 183 1 . 1 1 35 35 GLY CA C 35 45.656 45.656 45.683 -0.027 19752 184 1 . 1 1 35 35 GLY H H 35 8.376 8.376 8.214 0.162 19752 185 1 . 1 1 36 36 SER N N 36 116.779 116.779 116.832 -0.053 19752 186 1 . 1 1 36 36 SER HA H 36 4.456 4.456 4.438 0.018 19752 187 1 . 1 1 36 36 SER C C 36 173.880 173.880 173.995 -0.115 19752 188 1 . 1 1 36 36 SER CA C 36 58.255 58.255 59.210 -0.955 19752 189 1 . 1 1 36 36 SER CB C 36 64.195 64.195 63.600 0.595 19752 190 1 . 1 1 36 36 SER H H 36 8.456 8.456 8.347 0.109 19752 191 1 . 1 1 37 37 TRP N N 37 121.744 121.744 121.961 -0.217 19752 192 1 . 1 1 37 37 TRP HA H 37 4.528 4.528 4.902 -0.374 19752 193 1 . 1 1 37 37 TRP C C 37 176.500 176.500 175.847 0.653 19752 194 1 . 1 1 37 37 TRP CA C 37 58.090 58.090 57.207 0.883 19752 195 1 . 1 1 37 37 TRP CB C 37 31.007 31.007 30.420 0.587 19752 196 1 . 1 1 37 37 TRP H H 37 8.171 8.171 7.838 0.333 19752 197 1 . 1 1 38 38 LYS N N 38 123.158 123.158 122.124 1.034 19752 198 1 . 1 1 38 38 LYS HA H 38 4.626 4.626 4.766 -0.140 19752 199 1 . 1 1 38 38 LYS C C 38 172.839 172.839 174.799 -1.960 19752 200 1 . 1 1 38 38 LYS CA C 38 55.156 55.156 53.960 1.196 19752 201 1 . 1 1 38 38 LYS CB C 38 36.656 36.656 35.927 0.729 19752 202 1 . 1 1 38 38 LYS H H 38 8.736 8.736 8.930 -0.194 19752 203 1 . 1 1 39 39 LYS N N 39 121.526 121.526 124.146 -2.620 19752 204 1 . 1 1 39 39 LYS HA H 39 4.740 4.740 4.168 0.572 19752 205 1 . 1 1 39 39 LYS C C 39 177.510 177.510 176.056 1.454 19752 206 1 . 1 1 39 39 LYS CA C 39 54.316 54.316 55.299 -0.983 19752 207 1 . 1 1 39 39 LYS CB C 39 33.357 33.357 32.849 0.508 19752 208 1 . 1 1 39 39 LYS H H 39 8.123 8.123 8.304 -0.181 19752 209 1 . 1 1 40 40 ASN N N 40 123.988 123.988 124.904 -0.916 19752 210 1 . 1 1 40 40 ASN HA H 40 5.056 5.056 4.898 0.158 19752 211 1 . 1 1 40 40 ASN C C 40 177.524 177.524 176.319 1.205 19752 212 1 . 1 1 40 40 ASN CA C 40 50.840 50.840 52.230 -1.390 19752 213 1 . 1 1 40 40 ASN CB C 40 39.156 39.156 40.426 -1.270 19752 214 1 . 1 1 40 40 ASN H H 40 8.583 8.583 8.979 -0.396 19752 215 1 . 1 1 41 41 GLN N N 41 116.529 116.529 120.110 -3.581 19752 216 1 . 1 1 41 41 GLN HA H 41 4.060 4.060 4.014 0.046 19752 217 1 . 1 1 41 41 GLN C C 41 175.829 175.829 175.993 -0.164 19752 218 1 . 1 1 41 41 GLN CA C 41 57.761 57.761 57.941 -0.180 19752 219 1 . 1 1 41 41 GLN CB C 41 27.947 27.947 28.094 -0.147 19752 220 1 . 1 1 41 41 GLN H H 41 8.856 8.856 8.764 0.092 19752 221 1 . 1 1 42 42 TYR N N 42 119.255 119.255 117.358 1.897 19752 222 1 . 1 1 42 42 TYR HA H 42 4.651 4.651 4.529 0.122 19752 223 1 . 1 1 42 42 TYR C C 42 175.782 175.782 176.264 -0.482 19752 224 1 . 1 1 42 42 TYR CA C 42 57.120 57.120 57.822 -0.702 19752 225 1 . 1 1 42 42 TYR CB C 42 38.118 38.118 38.142 -0.024 19752 226 1 . 1 1 42 42 TYR H H 42 7.604 7.604 7.620 -0.016 19752 227 1 . 1 1 43 43 GLY N N 43 106.354 106.354 107.799 -1.445 19752 228 1 . 1 1 43 43 GLY C C 43 173.297 173.297 174.244 -0.948 19752 229 1 . 1 1 43 43 GLY CA C 43 45.163 45.163 45.322 -0.159 19752 230 1 . 1 1 43 43 GLY H H 43 7.993 7.993 7.900 0.093 19752 231 1 . 1 1 44 44 THR N N 44 120.062 120.062 116.820 3.242 19752 232 1 . 1 1 44 44 THR HA H 44 4.176 4.176 4.677 -0.501 19752 233 1 . 1 1 44 44 THR C C 44 173.969 173.969 173.794 0.175 19752 234 1 . 1 1 44 44 THR CA C 44 62.132 62.132 62.926 -0.794 19752 235 1 . 1 1 44 44 THR CB C 44 68.989 68.989 70.063 -1.074 19752 236 1 . 1 1 44 44 THR H H 44 7.781 7.781 7.556 0.225 19752 237 1 . 1 1 45 45 TRP N N 45 129.666 129.666 127.200 2.466 19752 238 1 . 1 1 45 45 TRP HA H 45 5.676 5.676 5.378 0.298 19752 239 1 . 1 1 45 45 TRP C C 45 175.999 175.999 176.182 -0.183 19752 240 1 . 1 1 45 45 TRP CA C 45 56.606 56.606 56.600 0.006 19752 241 1 . 1 1 45 45 TRP CB C 45 30.641 30.641 30.686 -0.045 19752 242 1 . 1 1 45 45 TRP H H 45 8.041 8.041 8.811 -0.770 19752 243 1 . 1 1 46 46 TYR N N 46 122.938 122.938 119.281 3.657 19752 244 1 . 1 1 46 46 TYR HA H 46 6.338 6.338 6.113 0.225 19752 245 1 . 1 1 46 46 TYR C C 46 173.663 173.663 173.631 0.032 19752 246 1 . 1 1 46 46 TYR CA C 46 56.307 56.307 55.290 1.017 19752 247 1 . 1 1 46 46 TYR CB C 46 44.125 44.125 42.282 1.843 19752 248 1 . 1 1 46 46 TYR H H 46 10.329 10.329 9.488 0.841 19752 249 1 . 1 1 47 47 LYS N N 47 118.986 118.986 118.495 0.491 19752 250 1 . 1 1 47 47 LYS HA H 47 4.771 4.771 4.910 -0.139 19752 251 1 . 1 1 47 47 LYS C C 47 172.462 172.462 173.928 -1.466 19752 252 1 . 1 1 47 47 LYS CA C 47 53.712 53.712 52.665 1.046 19752 253 1 . 1 1 47 47 LYS CB C 47 34.118 34.118 34.465 -0.347 19752 254 1 . 1 1 47 47 LYS H H 47 8.923 8.923 9.216 -0.293 19752 255 1 . 1 1 48 48 PRO HA H 48 4.802 4.802 4.912 -0.110 19752 256 1 . 1 1 48 48 PRO C C 48 176.747 176.747 176.032 0.715 19752 257 1 . 1 1 48 48 PRO CA C 48 62.665 62.665 62.827 -0.162 19752 258 1 . 1 1 48 48 PRO CB C 48 32.039 32.039 31.695 0.344 19752 259 1 . 1 1 49 49 GLU N N 49 125.285 125.285 124.101 1.184 19752 260 1 . 1 1 49 49 GLU HA H 49 3.988 3.988 4.438 -0.450 19752 261 1 . 1 1 49 49 GLU C C 49 170.927 170.927 174.338 -3.411 19752 262 1 . 1 1 49 49 GLU CA C 49 57.870 57.870 55.871 1.999 19752 263 1 . 1 1 49 49 GLU CB C 49 33.230 33.230 32.674 0.556 19752 264 1 . 1 1 49 49 GLU H H 49 7.771 7.771 8.424 -0.653 19752 265 1 . 1 1 50 50 ASN N N 50 122.328 122.328 123.943 -1.615 19752 266 1 . 1 1 50 50 ASN HA H 50 5.398 5.398 5.534 -0.136 19752 267 1 . 1 1 50 50 ASN C C 50 173.648 173.648 173.913 -0.265 19752 268 1 . 1 1 50 50 ASN CA C 50 51.686 51.686 52.593 -0.907 19752 269 1 . 1 1 50 50 ASN CB C 50 39.646 39.646 39.526 0.120 19752 270 1 . 1 1 50 50 ASN H H 50 8.148 8.148 8.541 -0.393 19752 271 1 . 1 1 51 51 ALA N N 51 126.527 126.527 128.368 -1.841 19752 272 1 . 1 1 51 51 ALA HA H 51 4.453 4.453 4.502 -0.049 19752 273 1 . 1 1 51 51 ALA C C 51 172.872 172.872 174.528 -1.656 19752 274 1 . 1 1 51 51 ALA CA C 51 51.597 51.597 51.050 0.547 19752 275 1 . 1 1 51 51 ALA CB C 51 19.670 19.670 22.458 -2.788 19752 276 1 . 1 1 51 51 ALA H H 51 7.085 7.085 8.063 -0.978 19752 277 1 . 1 1 52 52 THR N N 52 112.831 112.831 114.754 -1.923 19752 278 1 . 1 1 52 52 THR HA H 52 5.167 5.167 5.048 0.119 19752 279 1 . 1 1 52 52 THR C C 52 172.852 172.852 173.048 -0.196 19752 280 1 . 1 1 52 52 THR CA C 52 62.232 62.232 61.590 0.642 19752 281 1 . 1 1 52 52 THR CB C 52 71.068 71.068 70.679 0.389 19752 282 1 . 1 1 52 52 THR H H 52 8.036 8.036 8.426 -0.390 19752 283 1 . 1 1 53 53 PHE N N 53 127.883 127.883 127.269 0.614 19752 284 1 . 1 1 53 53 PHE HA H 53 5.323 5.323 5.272 0.051 19752 285 1 . 1 1 53 53 PHE C C 53 172.928 172.928 172.971 -0.043 19752 286 1 . 1 1 53 53 PHE CA C 53 55.275 55.275 55.826 -0.551 19752 287 1 . 1 1 53 53 PHE CB C 53 43.205 43.205 42.775 0.430 19752 288 1 . 1 1 53 53 PHE H H 53 9.714 9.714 9.514 0.200 19752 289 1 . 1 1 54 54 VAL N N 54 127.284 127.284 127.840 -0.556 19752 290 1 . 1 1 54 54 VAL HA H 54 4.320 4.320 4.347 -0.027 19752 291 1 . 1 1 54 54 VAL C C 54 175.842 175.842 174.146 1.696 19752 292 1 . 1 1 54 54 VAL CA C 54 60.152 60.152 60.292 -0.140 19752 293 1 . 1 1 54 54 VAL CB C 54 31.738 31.738 32.432 -0.694 19752 294 1 . 1 1 54 54 VAL H H 54 8.583 8.583 8.765 -0.182 19752 295 1 . 1 1 55 55 ASN N N 55 125.723 125.723 125.548 0.175 19752 296 1 . 1 1 55 55 ASN HA H 55 4.160 4.160 4.238 -0.078 19752 297 1 . 1 1 55 55 ASN C C 55 176.333 176.333 175.155 1.178 19752 298 1 . 1 1 55 55 ASN CA C 55 53.589 53.589 53.143 0.446 19752 299 1 . 1 1 55 55 ASN CB C 55 38.645 38.645 39.761 -1.116 19752 300 1 . 1 1 55 55 ASN H H 55 8.970 8.970 8.309 0.660 19752 301 1 . 1 1 56 56 GLY N N 56 114.389 114.389 112.396 1.993 19752 302 1 . 1 1 56 56 GLY C C 56 173.882 173.882 174.415 -0.533 19752 303 1 . 1 1 56 56 GLY CA C 56 44.676 44.676 45.613 -0.937 19752 304 1 . 1 1 56 56 GLY H H 56 8.360 8.360 8.391 -0.031 19752 305 1 . 1 1 57 57 ASN N N 57 115.511 115.511 118.597 -3.086 19752 306 1 . 1 1 57 57 ASN HA H 57 4.511 4.511 4.706 -0.195 19752 307 1 . 1 1 57 57 ASN C C 57 174.741 174.741 174.848 -0.107 19752 308 1 . 1 1 57 57 ASN CA C 57 54.213 54.213 53.926 0.287 19752 309 1 . 1 1 57 57 ASN CB C 57 38.629 38.629 39.263 -0.634 19752 310 1 . 1 1 57 57 ASN H H 57 8.149 8.149 8.474 -0.325 19752 311 1 . 1 1 58 58 GLN N N 58 118.128 118.128 118.013 0.115 19752 312 1 . 1 1 58 58 GLN HA H 58 4.960 4.960 4.755 0.205 19752 313 1 . 1 1 58 58 GLN C C 58 172.603 172.603 173.208 -0.605 19752 314 1 . 1 1 58 58 GLN CA C 58 52.633 52.633 52.904 -0.272 19752 315 1 . 1 1 58 58 GLN CB C 58 30.568 30.568 29.571 0.997 19752 316 1 . 1 1 58 58 GLN H H 58 7.702 7.702 7.875 -0.173 19752 317 1 . 1 1 59 59 PRO HA H 59 4.940 4.940 4.698 0.242 19752 318 1 . 1 1 59 59 PRO C C 59 176.506 176.506 176.170 0.336 19752 319 1 . 1 1 59 59 PRO CA C 59 62.256 62.256 62.815 -0.559 19752 320 1 . 1 1 59 59 PRO CB C 59 32.660 32.660 32.211 0.449 19752 321 1 . 1 1 60 60 ILE N N 60 120.974 120.974 125.273 -4.299 19752 322 1 . 1 1 60 60 ILE HA H 60 4.274 4.274 4.204 0.070 19752 323 1 . 1 1 60 60 ILE C C 60 175.190 175.190 175.187 0.003 19752 324 1 . 1 1 60 60 ILE CA C 60 60.687 60.687 60.161 0.526 19752 325 1 . 1 1 60 60 ILE CB C 60 42.745 42.745 40.713 2.032 19752 326 1 . 1 1 60 60 ILE H H 60 8.126 8.126 8.821 -0.695 19752 327 1 . 1 1 61 61 VAL N N 61 128.224 128.224 127.869 0.355 19752 328 1 . 1 1 61 61 VAL HA H 61 4.113 4.113 4.375 -0.262 19752 329 1 . 1 1 61 61 VAL C C 61 175.973 175.973 175.746 0.227 19752 330 1 . 1 1 61 61 VAL CA C 61 64.276 64.276 61.762 2.514 19752 331 1 . 1 1 61 61 VAL CB C 61 31.930 31.930 32.370 -0.440 19752 332 1 . 1 1 61 61 VAL H H 61 8.421 8.421 8.622 -0.201 19752 333 1 . 1 1 62 62 THR N N 62 118.454 118.454 121.346 -2.892 19752 334 1 . 1 1 62 62 THR HA H 62 5.021 5.021 4.813 0.208 19752 335 1 . 1 1 62 62 THR C C 62 174.936 174.936 173.968 0.968 19752 336 1 . 1 1 62 62 THR CA C 62 61.286 61.286 60.742 0.544 19752 337 1 . 1 1 62 62 THR CB C 62 71.133 71.133 71.345 -0.212 19752 338 1 . 1 1 62 62 THR H H 62 7.989 7.989 9.048 -1.059 19752 339 1 . 1 1 63 63 ARG N N 63 118.225 118.225 119.321 -1.096 19752 340 1 . 1 1 63 63 ARG HA H 63 5.429 5.429 5.376 0.053 19752 341 1 . 1 1 63 63 ARG C C 63 175.607 175.607 175.260 0.347 19752 342 1 . 1 1 63 63 ARG CA C 63 52.647 52.647 53.320 -0.673 19752 343 1 . 1 1 63 63 ARG CB C 63 33.603 33.603 33.107 0.496 19752 344 1 . 1 1 63 63 ARG H H 63 9.336 9.336 9.055 0.281 19752 345 1 . 1 1 64 64 ILE N N 64 119.746 119.746 121.431 -1.685 19752 346 1 . 1 1 64 64 ILE HA H 64 4.465 4.465 4.247 0.218 19752 347 1 . 1 1 64 64 ILE C C 64 179.206 179.206 177.324 1.882 19752 348 1 . 1 1 64 64 ILE CA C 64 60.189 60.189 61.039 -0.850 19752 349 1 . 1 1 64 64 ILE CB C 64 38.248 38.248 38.621 -0.373 19752 350 1 . 1 1 64 64 ILE H H 64 8.741 8.741 8.476 0.265 19752 351 1 . 1 1 65 65 GLY N N 65 116.059 116.059 117.063 -1.004 19752 352 1 . 1 1 65 65 GLY C C 65 174.185 174.185 173.672 0.513 19752 353 1 . 1 1 65 65 GLY CA C 65 47.671 47.671 46.182 1.489 19752 354 1 . 1 1 65 65 GLY H H 65 9.316 9.316 9.164 0.152 19752 355 1 . 1 1 66 66 SER N N 66 114.840 114.840 114.878 -0.038 19752 356 1 . 1 1 66 66 SER HA H 66 4.160 4.160 4.162 -0.002 19752 357 1 . 1 1 66 66 SER C C 66 170.281 170.281 171.439 -1.158 19752 358 1 . 1 1 66 66 SER CA C 66 56.207 56.207 55.406 0.801 19752 359 1 . 1 1 66 66 SER CB C 66 63.737 63.737 65.375 -1.638 19752 360 1 . 1 1 66 66 SER H H 66 7.412 7.412 7.414 -0.002 19752 361 1 . 1 1 67 67 PRO HA H 67 2.639 2.639 3.682 -1.043 19752 362 1 . 1 1 67 67 PRO C C 67 170.030 170.030 174.173 -4.143 19752 363 1 . 1 1 67 67 PRO CA C 67 59.670 59.670 61.515 -1.845 19752 364 1 . 1 1 67 67 PRO CB C 67 25.910 25.910 31.122 -5.212 19752 365 1 . 1 1 68 68 PHE N N 68 111.778 111.778 118.772 -6.994 19752 366 1 . 1 1 68 68 PHE HA H 68 4.493 4.493 4.407 0.086 19752 367 1 . 1 1 68 68 PHE C C 68 177.055 177.055 175.311 1.744 19752 368 1 . 1 1 68 68 PHE CA C 68 55.628 55.628 56.829 -1.201 19752 369 1 . 1 1 68 68 PHE CB C 68 43.358 43.358 41.452 1.906 19752 370 1 . 1 1 68 68 PHE H H 68 6.610 6.610 7.015 -0.405 19752 371 1 . 1 1 69 69 LEU N N 69 119.491 119.491 121.837 -2.346 19752 372 1 . 1 1 69 69 LEU HA H 69 4.313 4.313 4.533 -0.220 19752 373 1 . 1 1 69 69 LEU C C 69 176.326 176.326 177.471 -1.145 19752 374 1 . 1 1 69 69 LEU CA C 69 56.231 56.231 57.089 -0.858 19752 375 1 . 1 1 69 69 LEU CB C 69 40.870 40.870 41.865 -0.995 19752 376 1 . 1 1 69 69 LEU H H 69 8.388 8.388 8.666 -0.278 19752 377 1 . 1 1 70 70 ASN N N 70 112.229 112.229 116.050 -3.821 19752 378 1 . 1 1 70 70 ASN HA H 70 4.842 4.842 4.741 0.101 19752 379 1 . 1 1 70 70 ASN C C 70 175.620 175.620 174.508 1.112 19752 380 1 . 1 1 70 70 ASN CA C 70 51.668 51.668 52.331 -0.663 19752 381 1 . 1 1 70 70 ASN CB C 70 37.653 37.653 37.786 -0.133 19752 382 1 . 1 1 70 70 ASN H H 70 7.675 7.675 8.279 -0.604 19752 383 1 . 1 1 71 71 ALA N N 71 123.955 123.955 124.009 -0.054 19752 384 1 . 1 1 71 71 ALA HA H 71 4.559 4.559 4.484 0.075 19752 385 1 . 1 1 71 71 ALA C C 71 174.274 174.274 175.596 -1.322 19752 386 1 . 1 1 71 71 ALA CA C 71 51.470 51.470 50.590 0.880 19752 387 1 . 1 1 71 71 ALA CB C 71 17.843 17.843 18.325 -0.482 19752 388 1 . 1 1 71 71 ALA H H 71 7.152 7.152 7.305 -0.153 19752 389 1 . 1 1 72 72 PRO HA H 72 4.413 4.413 4.306 0.107 19752 390 1 . 1 1 72 72 PRO C C 72 176.342 176.342 175.836 0.506 19752 391 1 . 1 1 72 72 PRO CA C 72 63.119 63.119 63.619 -0.500 19752 392 1 . 1 1 72 72 PRO CB C 72 32.156 32.156 31.727 0.429 19752 393 1 . 1 1 73 73 VAL N N 73 121.078 121.078 120.624 0.454 19752 394 1 . 1 1 73 73 VAL HA H 73 4.284 4.284 4.442 -0.158 19752 395 1 . 1 1 73 73 VAL C C 73 177.864 177.864 177.318 0.546 19752 396 1 . 1 1 73 73 VAL CA C 73 63.277 63.277 60.151 3.126 19752 397 1 . 1 1 73 73 VAL CB C 73 32.724 32.724 34.073 -1.349 19752 398 1 . 1 1 73 73 VAL H H 73 8.328 8.328 8.132 0.196 19752 399 1 . 1 1 74 74 GLY N N 74 114.118 114.118 109.750 4.368 19752 400 1 . 1 1 74 74 GLY C C 74 173.963 173.963 173.819 0.144 19752 401 1 . 1 1 74 74 GLY CA C 74 44.785 44.785 44.849 -0.065 19752 402 1 . 1 1 74 74 GLY H H 74 8.781 8.781 8.800 -0.019 19752 403 1 . 1 1 75 75 GLY N N 75 107.324 107.324 109.358 -2.034 19752 404 1 . 1 1 75 75 GLY C C 75 173.460 173.460 172.295 1.165 19752 405 1 . 1 1 75 75 GLY CA C 75 43.748 43.748 44.647 -0.899 19752 406 1 . 1 1 75 75 GLY H H 75 7.278 7.278 7.915 -0.637 19752 407 1 . 1 1 76 76 ASN N N 76 119.682 119.682 122.985 -3.303 19752 408 1 . 1 1 76 76 ASN HA H 76 5.422 5.422 5.118 0.304 19752 409 1 . 1 1 76 76 ASN C C 76 175.760 175.760 174.248 1.512 19752 410 1 . 1 1 76 76 ASN CA C 76 52.277 52.277 52.671 -0.394 19752 411 1 . 1 1 76 76 ASN CB C 76 39.213 39.213 41.201 -1.988 19752 412 1 . 1 1 76 76 ASN H H 76 8.797 8.797 8.609 0.188 19752 413 1 . 1 1 77 77 LEU N N 77 129.545 129.545 127.881 1.664 19752 414 1 . 1 1 77 77 LEU HA H 77 4.871 4.871 4.970 -0.099 19752 415 1 . 1 1 77 77 LEU C C 77 174.374 174.374 174.446 -0.072 19752 416 1 . 1 1 77 77 LEU CA C 77 52.214 52.214 51.211 1.003 19752 417 1 . 1 1 77 77 LEU CB C 77 43.071 43.071 43.922 -0.851 19752 418 1 . 1 1 77 77 LEU H H 77 10.083 10.083 9.025 1.058 19752 419 1 . 1 1 78 78 PRO HA H 78 4.329 4.329 4.501 -0.172 19752 420 1 . 1 1 78 78 PRO C C 78 177.553 177.553 175.972 1.581 19752 421 1 . 1 1 78 78 PRO CA C 78 62.581 62.581 62.199 0.382 19752 422 1 . 1 1 78 78 PRO CB C 78 32.721 32.721 32.672 0.049 19752 423 1 . 1 1 79 79 ALA N N 79 125.294 125.294 122.612 2.682 19752 424 1 . 1 1 79 79 ALA HA H 79 4.260 4.260 4.104 0.156 19752 425 1 . 1 1 79 79 ALA C C 79 179.984 179.984 178.206 1.778 19752 426 1 . 1 1 79 79 ALA CA C 79 53.178 53.178 52.560 0.618 19752 427 1 . 1 1 79 79 ALA CB C 79 18.246 18.246 19.011 -0.765 19752 428 1 . 1 1 79 79 ALA H H 79 8.585 8.585 8.160 0.425 19752 429 1 . 1 1 80 80 GLY N N 80 110.970 110.970 110.772 0.198 19752 430 1 . 1 1 80 80 GLY C C 80 173.499 173.499 173.986 -0.487 19752 431 1 . 1 1 80 80 GLY CA C 80 45.954 45.954 44.893 1.061 19752 432 1 . 1 1 80 80 GLY H H 80 8.004 8.004 8.538 -0.534 19752 433 1 . 1 1 81 81 ALA N N 81 122.249 122.249 123.592 -1.343 19752 434 1 . 1 1 81 81 ALA HA H 81 4.251 4.251 4.454 -0.203 19752 435 1 . 1 1 81 81 ALA C C 81 175.709 175.709 176.134 -0.425 19752 436 1 . 1 1 81 81 ALA CA C 81 52.765 52.765 52.072 0.693 19752 437 1 . 1 1 81 81 ALA CB C 81 20.853 20.853 19.729 1.124 19752 438 1 . 1 1 81 81 ALA H H 81 7.363 7.363 7.343 0.020 19752 439 1 . 1 1 82 82 THR N N 82 114.980 114.980 120.035 -5.055 19752 440 1 . 1 1 82 82 THR HA H 82 5.171 5.171 4.881 0.290 19752 441 1 . 1 1 82 82 THR C C 82 174.618 174.618 173.663 0.955 19752 442 1 . 1 1 82 82 THR CA C 82 62.118 62.118 62.109 0.009 19752 443 1 . 1 1 82 82 THR CB C 82 70.555 70.555 69.168 1.387 19752 444 1 . 1 1 82 82 THR H H 82 8.181 8.181 8.377 -0.196 19752 445 1 . 1 1 83 83 ILE N N 83 127.480 127.480 129.182 -1.702 19752 446 1 . 1 1 83 83 ILE HA H 83 4.404 4.404 4.374 0.030 19752 447 1 . 1 1 83 83 ILE C C 83 173.926 173.926 174.149 -0.223 19752 448 1 . 1 1 83 83 ILE CA C 83 58.339 58.339 58.764 -0.425 19752 449 1 . 1 1 83 83 ILE CB C 83 42.228 42.228 40.722 1.506 19752 450 1 . 1 1 83 83 ILE H H 83 9.627 9.627 9.252 0.375 19752 451 1 . 1 1 84 84 VAL N N 84 128.246 128.246 128.419 -0.173 19752 452 1 . 1 1 84 84 VAL HA H 84 4.673 4.673 4.430 0.243 19752 453 1 . 1 1 84 84 VAL C C 84 175.501 175.501 174.797 0.704 19752 454 1 . 1 1 84 84 VAL CA C 84 62.135 62.135 60.539 1.596 19752 455 1 . 1 1 84 84 VAL CB C 84 31.656 31.656 32.932 -1.276 19752 456 1 . 1 1 84 84 VAL H H 84 8.059 8.059 8.527 -0.468 19752 457 1 . 1 1 85 85 TYR N N 85 126.862 126.862 125.452 1.410 19752 458 1 . 1 1 85 85 TYR HA H 85 5.425 5.425 4.908 0.517 19752 459 1 . 1 1 85 85 TYR C C 85 174.273 174.273 174.166 0.107 19752 460 1 . 1 1 85 85 TYR CA C 85 55.811 55.811 55.630 0.181 19752 461 1 . 1 1 85 85 TYR CB C 85 42.276 42.276 40.532 1.744 19752 462 1 . 1 1 85 85 TYR H H 85 8.840 8.840 8.642 0.198 19752 463 1 . 1 1 86 86 ASP N N 86 115.086 115.086 118.888 -3.801 19752 464 1 . 1 1 86 86 ASP HA H 86 5.468 5.468 4.894 0.574 19752 465 1 . 1 1 86 86 ASP C C 86 177.943 177.943 175.791 2.152 19752 466 1 . 1 1 86 86 ASP CA C 86 54.203 54.203 53.962 0.241 19752 467 1 . 1 1 86 86 ASP CB C 86 43.575 43.575 43.144 0.431 19752 468 1 . 1 1 86 86 ASP H H 86 8.843 8.843 8.730 0.113 19752 469 1 . 1 1 87 87 GLU N N 87 124.208 124.208 120.028 4.180 19752 470 1 . 1 1 87 87 GLU HA H 87 5.115 5.115 5.144 -0.029 19752 471 1 . 1 1 87 87 GLU C C 87 173.613 173.613 174.396 -0.783 19752 472 1 . 1 1 87 87 GLU CA C 87 55.772 55.772 55.479 0.293 19752 473 1 . 1 1 87 87 GLU CB C 87 35.507 35.507 33.450 2.057 19752 474 1 . 1 1 87 87 GLU H H 87 8.121 8.121 7.915 0.206 19752 475 1 . 1 1 88 88 VAL N N 88 121.754 121.754 126.270 -4.516 19752 476 1 . 1 1 88 88 VAL HA H 88 5.714 5.714 4.764 0.950 19752 477 1 . 1 1 88 88 VAL C C 88 175.480 175.480 174.807 0.673 19752 478 1 . 1 1 88 88 VAL CA C 88 59.770 59.770 61.028 -1.258 19752 479 1 . 1 1 88 88 VAL CB C 88 35.644 35.644 34.064 1.580 19752 480 1 . 1 1 88 88 VAL H H 88 8.822 8.822 9.118 -0.296 19752 481 1 . 1 1 89 89 CYS N N 89 118.234 118.234 125.463 -7.229 19752 482 1 . 1 1 89 89 CYS HA H 89 6.299 6.299 6.014 0.285 19752 483 1 . 1 1 89 89 CYS C C 89 174.126 174.126 173.937 0.189 19752 484 1 . 1 1 89 89 CYS CA C 89 56.085 56.085 56.381 -0.296 19752 485 1 . 1 1 89 89 CYS CB C 89 33.104 33.104 31.694 1.410 19752 486 1 . 1 1 89 89 CYS H H 89 9.404 9.404 9.605 -0.201 19752 487 1 . 1 1 90 90 ILE N N 90 122.085 122.085 123.436 -1.351 19752 488 1 . 1 1 90 90 ILE HA H 90 5.233 5.233 4.564 0.669 19752 489 1 . 1 1 90 90 ILE C C 90 176.210 176.210 174.399 1.811 19752 490 1 . 1 1 90 90 ILE CA C 90 61.559 61.559 60.834 0.725 19752 491 1 . 1 1 90 90 ILE CB C 90 41.489 41.489 39.379 2.110 19752 492 1 . 1 1 90 90 ILE H H 90 9.773 9.773 9.447 0.326 19752 493 1 . 1 1 91 91 GLN N N 91 125.884 125.884 127.994 -2.110 19752 494 1 . 1 1 91 91 GLN HA H 91 4.619 4.619 4.828 -0.208 19752 495 1 . 1 1 91 91 GLN C C 91 176.019 176.019 174.484 1.535 19752 496 1 . 1 1 91 91 GLN CA C 91 55.222 55.222 53.370 1.852 19752 497 1 . 1 1 91 91 GLN CB C 91 31.193 31.193 32.189 -0.996 19752 498 1 . 1 1 91 91 GLN H H 91 8.910 8.910 8.480 0.430 19752 499 1 . 1 1 92 92 ALA N N 92 131.300 131.300 129.774 1.526 19752 500 1 . 1 1 92 92 ALA HA H 92 4.524 4.524 4.118 0.406 19752 501 1 . 1 1 92 92 ALA C C 92 178.514 178.514 177.468 1.046 19752 502 1 . 1 1 92 92 ALA CA C 92 53.466 53.466 53.921 -0.455 19752 503 1 . 1 1 92 92 ALA CB C 92 18.269 18.269 18.133 0.136 19752 504 1 . 1 1 92 92 ALA H H 92 9.888 9.888 8.971 0.917 19752 505 1 . 1 1 93 93 GLY N N 93 107.622 107.622 112.911 -5.290 19752 506 1 . 1 1 93 93 GLY C C 93 174.796 174.796 173.488 1.308 19752 507 1 . 1 1 93 93 GLY CA C 93 46.470 46.470 44.995 1.475 19752 508 1 . 1 1 93 93 GLY H H 93 9.675 9.675 8.421 1.254 19752 509 1 . 1 1 94 94 HIS N N 94 118.233 118.233 119.455 -1.222 19752 510 1 . 1 1 94 94 HIS HA H 94 4.826 4.826 5.144 -0.318 19752 511 1 . 1 1 94 94 HIS C C 94 173.575 173.575 172.743 0.832 19752 512 1 . 1 1 94 94 HIS CA C 94 56.220 56.220 55.621 0.599 19752 513 1 . 1 1 94 94 HIS CB C 94 31.733 31.733 34.068 -2.335 19752 514 1 . 1 1 94 94 HIS H H 94 8.337 8.337 8.440 -0.103 19752 515 1 . 1 1 95 95 ILE N N 95 118.964 118.964 121.256 -2.292 19752 516 1 . 1 1 95 95 ILE HA H 95 5.211 5.211 4.555 0.656 19752 517 1 . 1 1 95 95 ILE C C 95 174.555 174.555 173.733 0.822 19752 518 1 . 1 1 95 95 ILE CA C 95 60.982 60.982 59.902 1.080 19752 519 1 . 1 1 95 95 ILE CB C 95 38.783 38.783 40.291 -1.508 19752 520 1 . 1 1 95 95 ILE H H 95 8.116 8.116 7.968 0.148 19752 521 1 . 1 1 96 96 TRP N N 96 127.092 127.092 128.972 -1.880 19752 522 1 . 1 1 96 96 TRP HA H 96 5.477 5.477 5.593 -0.116 19752 523 1 . 1 1 96 96 TRP C C 96 176.216 176.216 176.326 -0.111 19752 524 1 . 1 1 96 96 TRP CA C 96 54.243 54.243 55.068 -0.824 19752 525 1 . 1 1 96 96 TRP CB C 96 31.768 31.768 31.905 -0.137 19752 526 1 . 1 1 96 96 TRP H H 96 9.869 9.869 9.282 0.587 19752 527 1 . 1 1 97 97 ILE N N 97 113.283 113.283 119.253 -5.970 19752 528 1 . 1 1 97 97 ILE HA H 97 5.472 5.472 5.147 0.325 19752 529 1 . 1 1 97 97 ILE C C 97 175.278 175.278 175.260 0.018 19752 530 1 . 1 1 97 97 ILE CA C 97 59.184 59.184 59.106 0.078 19752 531 1 . 1 1 97 97 ILE CB C 97 39.649 39.649 39.413 0.236 19752 532 1 . 1 1 97 97 ILE H H 97 8.893 8.893 9.006 -0.113 19752 533 1 . 1 1 98 98 GLY N N 98 109.684 109.684 113.672 -3.988 19752 534 1 . 1 1 98 98 GLY C C 98 172.048 172.048 172.431 -0.384 19752 535 1 . 1 1 98 98 GLY CA C 98 45.120 45.120 43.657 1.463 19752 536 1 . 1 1 98 98 GLY H H 98 9.043 9.043 9.066 -0.023 19752 537 1 . 1 1 99 99 TYR N N 99 117.809 117.809 121.548 -3.739 19752 538 1 . 1 1 99 99 TYR HA H 99 4.908 4.908 5.111 -0.203 19752 539 1 . 1 1 99 99 TYR C C 99 172.626 172.626 173.162 -0.536 19752 540 1 . 1 1 99 99 TYR CA C 99 56.259 56.259 55.052 1.207 19752 541 1 . 1 1 99 99 TYR CB C 99 40.147 40.147 40.808 -0.661 19752 542 1 . 1 1 99 99 TYR H H 99 8.434 8.434 8.452 -0.018 19752 543 1 . 1 1 100 100 ASN N N 100 117.139 117.139 119.976 -2.837 19752 544 1 . 1 1 100 100 ASN HA H 100 5.286 5.286 5.229 0.057 19752 545 1 . 1 1 100 100 ASN C C 100 175.315 175.315 174.655 0.660 19752 546 1 . 1 1 100 100 ASN CA C 100 51.986 51.986 52.105 -0.119 19752 547 1 . 1 1 100 100 ASN CB C 100 39.375 39.375 40.239 -0.864 19752 548 1 . 1 1 100 100 ASN H H 100 8.844 8.844 8.623 0.221 19752 549 1 . 1 1 101 101 ALA N N 101 126.218 126.218 126.900 -0.681 19752 550 1 . 1 1 101 101 ALA HA H 101 4.637 4.637 4.741 -0.104 19752 551 1 . 1 1 101 101 ALA C C 101 179.095 179.095 178.656 0.439 19752 552 1 . 1 1 101 101 ALA CA C 101 51.212 51.212 50.681 0.531 19752 553 1 . 1 1 101 101 ALA CB C 101 20.642 20.642 20.326 0.317 19752 554 1 . 1 1 101 101 ALA H H 101 8.870 8.870 8.799 0.071 19752 555 1 . 1 1 102 102 TYR N N 102 121.067 121.067 118.428 2.639 19752 556 1 . 1 1 102 102 TYR HA H 102 4.339 4.339 4.274 0.065 19752 557 1 . 1 1 102 102 TYR C C 102 175.986 175.986 176.109 -0.123 19752 558 1 . 1 1 102 102 TYR CA C 102 60.144 60.144 60.056 0.088 19752 559 1 . 1 1 102 102 TYR CB C 102 37.653 37.653 37.755 -0.102 19752 560 1 . 1 1 102 102 TYR H H 102 8.720 8.720 8.655 0.065 19752 561 1 . 1 1 103 103 ASN N N 103 115.289 115.289 117.906 -2.617 19752 562 1 . 1 1 103 103 ASN HA H 103 4.412 4.412 4.655 -0.243 19752 563 1 . 1 1 103 103 ASN C C 103 175.963 175.963 176.040 -0.077 19752 564 1 . 1 1 103 103 ASN CA C 103 52.246 52.246 52.736 -0.491 19752 565 1 . 1 1 103 103 ASN CB C 103 37.245 37.245 38.516 -1.271 19752 566 1 . 1 1 103 103 ASN H H 103 7.490 7.490 7.562 -0.072 19752 567 1 . 1 1 104 104 GLY N N 104 107.204 107.204 107.498 -0.294 19752 568 1 . 1 1 104 104 GLY C C 104 174.620 174.620 173.483 1.137 19752 569 1 . 1 1 104 104 GLY CA C 104 45.128 45.128 45.141 -0.013 19752 570 1 . 1 1 104 104 GLY H H 104 8.020 8.020 8.210 -0.190 19752 571 1 . 1 1 105 105 ASN N N 105 118.581 118.581 118.564 0.017 19752 572 1 . 1 1 105 105 ASN HA H 105 4.576 4.576 4.620 -0.044 19752 573 1 . 1 1 105 105 ASN C C 105 173.805 173.805 174.148 -0.343 19752 574 1 . 1 1 105 105 ASN CA C 105 53.030 53.030 52.347 0.683 19752 575 1 . 1 1 105 105 ASN CB C 105 38.984 38.984 39.312 -0.328 19752 576 1 . 1 1 105 105 ASN H H 105 7.703 7.703 7.732 -0.029 19752 577 1 . 1 1 106 106 ARG N N 106 123.191 123.191 124.685 -1.494 19752 578 1 . 1 1 106 106 ARG HA H 106 4.564 4.564 4.527 0.037 19752 579 1 . 1 1 106 106 ARG C C 106 174.360 174.360 175.026 -0.666 19752 580 1 . 1 1 106 106 ARG CA C 106 54.662 54.662 55.518 -0.856 19752 581 1 . 1 1 106 106 ARG CB C 106 30.607 30.607 29.915 0.692 19752 582 1 . 1 1 106 106 ARG H H 106 8.635 8.635 8.635 -0.000 19752 583 1 . 1 1 107 107 VAL N N 107 128.482 128.482 126.350 2.132 19752 584 1 . 1 1 107 107 VAL HA H 107 4.553 4.553 4.478 0.075 19752 585 1 . 1 1 107 107 VAL C C 107 172.290 172.290 173.918 -1.628 19752 586 1 . 1 1 107 107 VAL CA C 107 60.684 60.684 60.795 -0.111 19752 587 1 . 1 1 107 107 VAL CB C 107 34.477 34.477 33.854 0.623 19752 588 1 . 1 1 107 107 VAL H H 107 8.668 8.668 8.478 0.190 19752 589 1 . 1 1 108 108 TYR N N 108 119.055 119.055 124.145 -5.090 19752 590 1 . 1 1 108 108 TYR HA H 108 5.493 5.493 5.628 -0.135 19752 591 1 . 1 1 108 108 TYR C C 108 175.215 175.215 175.196 0.019 19752 592 1 . 1 1 108 108 TYR CA C 108 56.572 56.572 56.224 0.348 19752 593 1 . 1 1 108 108 TYR CB C 108 42.435 42.435 41.571 0.864 19752 594 1 . 1 1 108 108 TYR H H 108 8.944 8.944 9.228 -0.284 19752 595 1 . 1 1 109 109 CYS N N 109 124.377 124.377 122.292 2.085 19752 596 1 . 1 1 109 109 CYS HA H 109 5.445 5.445 5.108 0.337 19752 597 1 . 1 1 109 109 CYS C C 109 171.899 171.899 173.561 -1.662 19752 598 1 . 1 1 109 109 CYS CA C 109 54.165 54.165 55.452 -1.287 19752 599 1 . 1 1 109 109 CYS CB C 109 29.803 29.803 31.286 -1.484 19752 600 1 . 1 1 109 109 CYS H H 109 9.675 9.675 8.886 0.789 19752 601 1 . 1 1 110 110 PRO HA H 110 4.179 4.179 3.130 1.049 19752 602 1 . 1 1 110 110 PRO C C 110 175.490 175.490 177.149 -1.659 19752 603 1 . 1 1 110 110 PRO CA C 110 62.598 62.598 63.905 -1.307 19752 604 1 . 1 1 110 110 PRO CB C 110 29.456 29.456 30.939 -1.483 19752 605 1 . 1 1 111 111 VAL N N 111 109.293 109.293 111.687 -2.394 19752 606 1 . 1 1 111 111 VAL HA H 111 4.409 4.409 3.477 0.932 19752 607 1 . 1 1 111 111 VAL C C 111 173.598 173.598 174.294 -0.696 19752 608 1 . 1 1 111 111 VAL CA C 111 61.093 61.093 65.024 -3.931 19752 609 1 . 1 1 111 111 VAL CB C 111 33.521 33.521 29.970 3.550 19752 610 1 . 1 1 111 111 VAL H H 111 8.382 8.382 7.466 0.916 19752 611 1 . 1 1 112 112 ARG N N 112 110.825 110.825 115.803 -4.978 19752 612 1 . 1 1 112 112 ARG HA H 112 3.158 3.158 4.517 -1.359 19752 613 1 . 1 1 112 112 ARG C C 112 175.480 175.480 174.843 0.637 19752 614 1 . 1 1 112 112 ARG CA C 112 54.449 54.449 53.885 0.564 19752 615 1 . 1 1 112 112 ARG CB C 112 32.146 32.146 33.377 -1.231 19752 616 1 . 1 1 112 112 ARG H H 112 6.735 6.735 7.907 -1.172 19752 617 1 . 1 1 113 113 THR N N 113 111.002 111.002 117.955 -6.953 19752 618 1 . 1 1 113 113 THR HA H 113 4.238 4.238 4.243 -0.005 19752 619 1 . 1 1 113 113 THR C C 113 174.123 174.123 173.858 0.265 19752 620 1 . 1 1 113 113 THR CA C 113 62.468 62.468 64.140 -1.672 19752 621 1 . 1 1 113 113 THR CB C 113 70.502 70.502 69.161 1.341 19752 622 1 . 1 1 113 113 THR H H 113 8.898 8.898 7.778 1.120 19752 623 1 . 1 1 114 114 CYS N N 114 119.522 119.522 125.113 -5.591 19752 624 1 . 1 1 114 114 CYS HA H 114 4.515 4.515 5.418 -0.903 19752 625 1 . 1 1 114 114 CYS C C 114 172.669 172.669 172.876 -0.207 19752 626 1 . 1 1 114 114 CYS CA C 114 59.617 59.617 57.617 2.000 19752 627 1 . 1 1 114 114 CYS CB C 114 29.545 29.545 31.050 -1.505 19752 628 1 . 1 1 114 114 CYS H H 114 7.936 7.936 8.377 -0.441 19752 629 1 . 1 1 115 115 GLN N N 115 129.342 129.342 123.261 6.081 19752 630 1 . 1 1 115 115 GLN HA H 115 4.628 4.628 4.626 0.002 19752 631 1 . 1 1 115 115 GLN C C 115 175.456 175.456 174.928 0.528 19752 632 1 . 1 1 115 115 GLN CA C 115 54.242 54.242 54.386 -0.144 19752 633 1 . 1 1 115 115 GLN CB C 115 31.176 31.176 31.910 -0.734 19752 634 1 . 1 1 115 115 GLN H H 115 7.963 7.963 8.647 -0.684 19752 635 1 . 1 1 116 116 GLY N N 116 112.311 112.311 108.938 3.373 19752 636 1 . 1 1 116 116 GLY C C 116 171.907 171.907 172.240 -0.333 19752 637 1 . 1 1 116 116 GLY CA C 116 44.217 44.217 44.990 -0.773 19752 638 1 . 1 1 116 116 GLY H H 116 8.591 8.591 8.240 0.351 19752 639 1 . 1 1 117 117 VAL N N 117 110.113 110.113 116.602 -6.489 19752 640 1 . 1 1 117 117 VAL HA H 117 4.138 4.138 4.437 -0.299 19752 641 1 . 1 1 117 117 VAL C C 117 171.857 171.857 173.408 -1.551 19752 642 1 . 1 1 117 117 VAL CA C 117 57.957 57.957 58.002 -0.045 19752 643 1 . 1 1 117 117 VAL CB C 117 32.549 32.549 34.196 -1.647 19752 644 1 . 1 1 117 117 VAL H H 117 7.745 7.745 7.818 -0.073 19752 645 1 . 1 1 118 118 PRO HA H 118 4.496 4.496 3.934 0.562 19752 646 1 . 1 1 118 118 PRO CA C 118 61.490 61.490 62.297 -0.807 19752 647 1 . 1 1 118 118 PRO CB C 118 29.760 29.760 30.758 -0.998 19752 648 1 . 1 1 119 119 PRO HA H 119 4.376 4.376 4.118 0.259 19752 649 1 . 1 1 119 119 PRO C C 119 176.006 176.006 176.091 -0.085 19752 650 1 . 1 1 119 119 PRO CA C 119 64.156 64.156 62.983 1.173 19752 651 1 . 1 1 119 119 PRO CB C 119 34.035 34.035 32.436 1.599 19752 652 1 . 1 1 120 120 ASN N N 120 124.472 124.472 119.987 4.485 19752 653 1 . 1 1 120 120 ASN HA H 120 4.904 4.904 4.554 0.350 19752 654 1 . 1 1 120 120 ASN C C 120 172.963 172.963 173.802 -0.839 19752 655 1 . 1 1 120 120 ASN CA C 120 53.115 53.115 52.784 0.331 19752 656 1 . 1 1 120 120 ASN CB C 120 39.227 39.227 38.444 0.783 19752 657 1 . 1 1 120 120 ASN H H 120 8.414 8.414 7.852 0.562 19752 658 1 . 1 1 121 121 HIS N N 121 120.276 120.276 120.613 -0.337 19752 659 1 . 1 1 121 121 HIS HA H 121 4.427 4.427 4.949 -0.522 19752 660 1 . 1 1 121 121 HIS C C 121 174.788 174.788 174.306 0.482 19752 661 1 . 1 1 121 121 HIS CA C 121 55.700 55.700 53.642 2.058 19752 662 1 . 1 1 121 121 HIS CB C 121 30.708 30.708 30.512 0.196 19752 663 1 . 1 1 121 121 HIS H H 121 8.591 8.591 7.736 0.855 19752 664 1 . 1 1 122 122 ILE N N 122 120.474 120.474 125.504 -5.030 19752 665 1 . 1 1 122 122 ILE HA H 122 4.345 4.345 4.433 -0.088 19752 666 1 . 1 1 122 122 ILE C C 122 174.718 174.718 174.210 0.508 19752 667 1 . 1 1 122 122 ILE CA C 122 58.130 58.130 58.050 0.080 19752 668 1 . 1 1 122 122 ILE CB C 122 39.770 39.770 37.915 1.855 19752 669 1 . 1 1 122 122 ILE H H 122 8.883 8.883 9.010 -0.127 19752 670 1 . 1 1 123 123 PRO HA H 123 4.496 4.496 5.056 -0.560 19752 671 1 . 1 1 123 123 PRO C C 123 177.104 177.104 176.361 0.743 19752 672 1 . 1 1 123 123 PRO CA C 123 62.607 62.607 61.887 0.720 19752 673 1 . 1 1 123 123 PRO CB C 123 32.529 32.529 32.529 -0.000 19752 674 1 . 1 1 124 124 GLY N N 124 111.030 111.030 110.244 0.786 19752 675 1 . 1 1 124 124 GLY C C 124 173.906 173.906 173.452 0.454 19752 676 1 . 1 1 124 124 GLY CA C 124 43.117 43.117 44.334 -1.217 19752 677 1 . 1 1 124 124 GLY H H 124 8.553 8.553 8.534 0.019 19752 678 1 . 1 1 125 125 VAL N N 125 121.916 121.916 122.302 -0.386 19752 679 1 . 1 1 125 125 VAL HA H 125 3.920 3.920 3.906 0.014 19752 680 1 . 1 1 125 125 VAL C C 125 176.148 176.148 174.818 1.330 19752 681 1 . 1 1 125 125 VAL CA C 125 63.638 63.638 62.206 1.432 19752 682 1 . 1 1 125 125 VAL CB C 125 32.118 32.118 32.106 0.012 19752 683 1 . 1 1 125 125 VAL H H 125 8.493 8.493 8.038 0.455 19752 684 1 . 1 1 126 126 ALA N N 126 127.872 127.872 129.654 -1.782 19752 685 1 . 1 1 126 126 ALA HA H 126 4.490 4.490 4.388 0.101 19752 686 1 . 1 1 126 126 ALA C C 126 179.447 179.447 177.059 2.388 19752 687 1 . 1 1 126 126 ALA CA C 126 52.669 52.669 51.036 1.633 19752 688 1 . 1 1 126 126 ALA CB C 126 20.628 20.628 20.414 0.214 19752 689 1 . 1 1 126 126 ALA H H 126 8.835 8.835 8.330 0.505 19752 690 1 . 1 1 127 127 TRP N N 127 121.928 121.928 123.652 -1.724 19752 691 1 . 1 1 127 127 TRP HA H 127 5.113 5.113 4.901 0.212 19752 692 1 . 1 1 127 127 TRP C C 127 174.684 174.684 175.479 -0.795 19752 693 1 . 1 1 127 127 TRP CA C 127 55.629 55.629 56.190 -0.561 19752 694 1 . 1 1 127 127 TRP CB C 127 28.154 28.154 30.210 -2.056 19752 695 1 . 1 1 127 127 TRP H H 127 8.555 8.555 8.813 -0.258 19752 696 1 . 1 1 128 128 GLY N N 128 103.981 103.981 105.616 -1.635 19752 697 1 . 1 1 128 128 GLY C C 128 171.694 171.694 172.459 -0.765 19752 698 1 . 1 1 128 128 GLY CA C 128 45.689 45.689 44.826 0.863 19752 699 1 . 1 1 128 128 GLY H H 128 7.280 7.280 7.618 -0.338 19752 700 1 . 1 1 129 129 VAL N N 129 119.078 119.078 120.646 -1.568 19752 701 1 . 1 1 129 129 VAL HA H 129 4.343 4.343 4.451 -0.108 19752 702 1 . 1 1 129 129 VAL C C 129 173.255 173.255 174.777 -1.522 19752 703 1 . 1 1 129 129 VAL CA C 129 60.661 60.661 60.752 -0.091 19752 704 1 . 1 1 129 129 VAL CB C 129 35.551 35.551 34.098 1.453 19752 705 1 . 1 1 129 129 VAL H H 129 8.274 8.274 8.348 -0.074 19752 706 1 . 1 1 130 130 PHE N N 130 122.633 122.633 126.450 -3.817 19752 707 1 . 1 1 130 130 PHE HA H 130 5.544 5.544 5.241 0.303 19752 708 1 . 1 1 130 130 PHE C C 130 175.771 175.771 175.839 -0.068 19752 709 1 . 1 1 130 130 PHE CA C 130 57.176 57.176 57.812 -0.636 19752 710 1 . 1 1 130 130 PHE CB C 130 40.670 40.670 40.886 -0.216 19752 711 1 . 1 1 130 130 PHE H H 130 8.464 8.464 8.831 -0.367 19752 stop_ save_