data_25564 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25564 _Entry.PDB_ID 2N1K 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 25564 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.317 0.306 25564 2 1 1 . 1 1 3 3 HIS CA C 3 56.936 56.936 58.026 -1.090 25564 3 1 1 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.158 1.113 25564 4 1 1 . 1 1 7 7 THR HA H 7 4.470 4.470 4.437 0.033 25564 5 1 1 . 1 1 7 7 THR CA C 7 61.923 61.923 63.734 -1.811 25564 6 1 1 . 1 1 7 7 THR CB C 7 70.142 70.142 69.039 1.103 25564 7 1 1 . 1 1 8 8 THR N N 8 116.706 116.706 118.772 -2.066 25564 8 1 1 . 1 1 8 8 THR HA H 8 4.371 4.371 4.327 0.044 25564 9 1 1 . 1 1 8 8 THR C C 8 173.590 173.590 173.167 0.423 25564 10 1 1 . 1 1 8 8 THR CA C 8 61.606 61.606 62.698 -1.092 25564 11 1 1 . 1 1 8 8 THR CB C 8 70.303 70.303 69.597 0.706 25564 12 1 1 . 1 1 8 8 THR H H 8 8.238 8.238 7.495 0.743 25564 13 1 1 . 1 1 9 9 ALA N N 9 127.030 127.030 130.422 -3.392 25564 14 1 1 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.772 -0.479 25564 15 1 1 . 1 1 9 9 ALA C C 9 175.005 175.005 176.133 -1.128 25564 16 1 1 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.454 1.359 25564 17 1 1 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.194 -0.763 25564 18 1 1 . 1 1 9 9 ALA H H 9 8.220 8.220 8.308 -0.088 25564 19 1 1 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.504 -0.175 25564 20 1 1 . 1 1 10 10 PRO C C 10 175.138 175.138 175.802 -0.664 25564 21 1 1 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.395 0.402 25564 22 1 1 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.740 -0.903 25564 23 1 1 . 1 1 11 11 ASP N N 11 116.244 116.244 119.713 -3.469 25564 24 1 1 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.648 -0.238 25564 25 1 1 . 1 1 11 11 ASP C C 11 174.009 174.009 175.664 -1.655 25564 26 1 1 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.779 0.604 25564 27 1 1 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.256 -2.427 25564 28 1 1 . 1 1 11 11 ASP H H 11 9.038 9.038 8.336 0.702 25564 29 1 1 . 1 1 12 12 ALA N N 12 120.012 120.012 120.768 -0.756 25564 30 1 1 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.643 -0.176 25564 31 1 1 . 1 1 12 12 ALA C C 12 175.669 175.669 175.534 0.135 25564 32 1 1 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.551 0.689 25564 33 1 1 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.739 -0.829 25564 34 1 1 . 1 1 12 12 ALA H H 12 7.944 7.944 8.224 -0.280 25564 35 1 1 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.101 -0.612 25564 36 1 1 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.490 -0.165 25564 37 1 1 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.189 0.641 25564 38 1 1 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.331 0.155 25564 39 1 1 . 1 1 14 14 PRO C C 14 175.966 175.966 176.670 -0.704 25564 40 1 1 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.824 0.171 25564 41 1 1 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.209 0.420 25564 42 1 1 . 1 1 15 15 ASP N N 15 117.405 117.405 119.503 -2.098 25564 43 1 1 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.360 0.198 25564 44 1 1 . 1 1 15 15 ASP C C 15 173.011 173.011 174.798 -1.787 25564 45 1 1 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.603 0.627 25564 46 1 1 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.126 1.196 25564 47 1 1 . 1 1 15 15 ASP H H 15 8.470 8.470 8.459 0.011 25564 48 1 1 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.668 0.684 25564 49 1 1 . 1 1 16 16 PRO C C 16 177.534 177.534 176.763 0.771 25564 50 1 1 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.123 0.481 25564 51 1 1 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.885 -1.401 25564 52 1 1 . 1 1 17 17 THR N N 17 117.955 117.955 118.391 -0.436 25564 53 1 1 . 1 1 17 17 THR HA H 17 4.563 4.563 4.564 -0.001 25564 54 1 1 . 1 1 17 17 THR C C 17 172.578 172.578 173.780 -1.202 25564 55 1 1 . 1 1 17 17 THR CA C 17 61.093 61.093 61.126 -0.033 25564 56 1 1 . 1 1 17 17 THR CB C 17 72.478 72.478 70.104 2.374 25564 57 1 1 . 1 1 17 17 THR H H 17 9.415 9.415 8.659 0.756 25564 58 1 1 . 1 1 18 18 VAL N N 18 124.494 124.494 128.141 -3.647 25564 59 1 1 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.221 0.151 25564 60 1 1 . 1 1 18 18 VAL C C 18 175.392 175.392 176.146 -0.754 25564 61 1 1 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.670 0.180 25564 62 1 1 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.589 0.485 25564 63 1 1 . 1 1 18 18 VAL H H 18 8.645 8.645 8.780 -0.135 25564 64 1 1 . 1 1 19 19 ASP N N 19 129.904 129.904 128.306 1.598 25564 65 1 1 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.606 0.117 25564 66 1 1 . 1 1 19 19 ASP C C 19 175.427 175.427 175.839 -0.412 25564 67 1 1 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.789 -0.886 25564 68 1 1 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.095 2.176 25564 69 1 1 . 1 1 19 19 ASP H H 19 8.805 8.805 8.615 0.190 25564 70 1 1 . 1 1 20 20 GLN N N 20 115.835 115.835 118.528 -2.693 25564 71 1 1 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.640 -0.190 25564 72 1 1 . 1 1 20 20 GLN C C 20 173.593 173.593 173.967 -0.374 25564 73 1 1 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.419 1.526 25564 74 1 1 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.715 -0.727 25564 75 1 1 . 1 1 20 20 GLN H H 20 7.431 7.431 7.606 -0.175 25564 76 1 1 . 1 1 21 21 VAL N N 21 122.956 122.956 122.984 -0.028 25564 77 1 1 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.304 0.415 25564 78 1 1 . 1 1 21 21 VAL C C 21 173.753 173.753 174.929 -1.176 25564 79 1 1 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.090 0.229 25564 80 1 1 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.785 1.218 25564 81 1 1 . 1 1 21 21 VAL H H 21 8.317 8.317 8.487 -0.170 25564 82 1 1 . 1 1 22 22 ASP N N 22 129.722 129.722 126.574 3.148 25564 83 1 1 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.118 -0.364 25564 84 1 1 . 1 1 22 22 ASP C C 22 176.114 176.114 176.337 -0.223 25564 85 1 1 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.396 1.243 25564 86 1 1 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.921 -2.544 25564 87 1 1 . 1 1 22 22 ASP H H 22 8.778 8.778 8.550 0.228 25564 88 1 1 . 1 1 23 23 ASP N N 23 115.970 115.970 118.677 -2.707 25564 89 1 1 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.454 0.180 25564 90 1 1 . 1 1 23 23 ASP C C 23 175.820 175.820 176.029 -0.209 25564 91 1 1 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.259 -0.932 25564 92 1 1 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.074 -0.168 25564 93 1 1 . 1 1 23 23 ASP H H 23 8.049 8.049 8.788 -0.739 25564 94 1 1 . 1 1 24 24 THR N N 24 97.756 97.756 107.293 -9.537 25564 95 1 1 . 1 1 24 24 THR HA H 24 4.566 4.566 4.537 0.029 25564 96 1 1 . 1 1 24 24 THR C C 24 174.274 174.274 172.951 1.323 25564 97 1 1 . 1 1 24 24 THR CA C 24 59.595 59.595 59.999 -0.404 25564 98 1 1 . 1 1 24 24 THR CB C 24 71.670 71.670 68.543 3.127 25564 99 1 1 . 1 1 24 24 THR H H 24 7.392 7.392 8.006 -0.614 25564 100 1 1 . 1 1 25 25 SER N N 25 116.249 116.249 116.247 0.002 25564 101 1 1 . 1 1 25 25 SER HA H 25 5.440 5.440 5.498 -0.058 25564 102 1 1 . 1 1 25 25 SER C C 25 171.891 171.891 172.356 -0.465 25564 103 1 1 . 1 1 25 25 SER CA C 25 57.670 57.670 58.370 -0.701 25564 104 1 1 . 1 1 25 25 SER CB C 25 67.439 67.439 66.322 1.117 25564 105 1 1 . 1 1 25 25 SER H H 25 7.693 7.693 7.453 0.240 25564 106 1 1 . 1 1 26 26 ILE N N 26 118.594 118.594 123.671 -5.077 25564 107 1 1 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.768 -0.354 25564 108 1 1 . 1 1 26 26 ILE C C 26 174.020 174.020 173.667 0.353 25564 109 1 1 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.484 0.650 25564 110 1 1 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.913 2.175 25564 111 1 1 . 1 1 26 26 ILE H H 26 8.141 8.141 8.774 -0.633 25564 112 1 1 . 1 1 27 27 VAL N N 27 126.778 126.778 125.705 1.073 25564 113 1 1 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.069 -0.096 25564 114 1 1 . 1 1 27 27 VAL C C 27 175.692 175.692 174.774 0.918 25564 115 1 1 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.833 0.616 25564 116 1 1 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.809 0.004 25564 117 1 1 . 1 1 27 27 VAL H H 27 8.642 8.642 8.819 -0.177 25564 118 1 1 . 1 1 28 28 VAL N N 28 127.624 127.624 123.490 4.134 25564 119 1 1 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.011 -0.151 25564 120 1 1 . 1 1 28 28 VAL C C 28 173.467 173.467 174.020 -0.553 25564 121 1 1 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.482 0.972 25564 122 1 1 . 1 1 28 28 VAL CB C 28 34.952 34.952 36.149 -1.197 25564 123 1 1 . 1 1 28 28 VAL H H 28 8.656 8.656 8.981 -0.325 25564 124 1 1 . 1 1 29 29 ARG N N 29 123.905 123.905 124.403 -0.498 25564 125 1 1 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.925 -0.208 25564 126 1 1 . 1 1 29 29 ARG C C 29 174.147 174.147 175.038 -0.891 25564 127 1 1 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.675 0.191 25564 128 1 1 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.847 1.344 25564 129 1 1 . 1 1 29 29 ARG H H 29 9.075 9.075 8.432 0.643 25564 130 1 1 . 1 1 30 30 TRP N N 30 116.284 116.284 123.955 -7.671 25564 131 1 1 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.073 -0.227 25564 132 1 1 . 1 1 30 30 TRP C C 30 174.778 174.778 175.487 -0.709 25564 133 1 1 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.785 2.750 25564 134 1 1 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.122 -0.824 25564 135 1 1 . 1 1 30 30 TRP H H 30 7.512 7.512 7.955 -0.443 25564 136 1 1 . 1 1 31 31 SER HA H 31 4.747 4.747 4.698 0.049 25564 137 1 1 . 1 1 31 31 SER C C 31 172.773 172.773 174.306 -1.533 25564 138 1 1 . 1 1 31 31 SER CA C 31 57.875 57.875 57.847 0.028 25564 139 1 1 . 1 1 31 31 SER CB C 31 64.093 64.093 63.143 0.950 25564 140 1 1 . 1 1 32 32 ARG N N 32 122.062 122.062 127.201 -5.139 25564 141 1 1 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.615 0.264 25564 142 1 1 . 1 1 32 32 ARG C C 32 175.788 175.788 174.954 0.834 25564 143 1 1 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.327 -1.042 25564 144 1 1 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.357 2.063 25564 145 1 1 . 1 1 32 32 ARG H H 32 8.337 8.337 8.035 0.302 25564 146 1 1 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.573 -0.097 25564 147 1 1 . 1 1 33 33 PRO C C 33 175.739 175.739 176.208 -0.469 25564 148 1 1 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.397 0.569 25564 149 1 1 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.872 0.103 25564 150 1 1 . 1 1 34 34 GLN N N 34 122.510 122.510 119.900 2.610 25564 151 1 1 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.201 -0.047 25564 152 1 1 . 1 1 34 34 GLN C C 34 177.396 177.396 176.605 0.791 25564 153 1 1 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.553 0.950 25564 154 1 1 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.308 0.338 25564 155 1 1 . 1 1 34 34 GLN H H 34 10.310 10.310 8.756 1.554 25564 156 1 1 . 1 1 35 35 ALA N N 35 123.797 123.797 124.151 -0.354 25564 157 1 1 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.501 -0.023 25564 158 1 1 . 1 1 35 35 ALA C C 35 174.959 174.959 175.385 -0.426 25564 159 1 1 . 1 1 35 35 ALA CA C 35 50.867 50.867 49.930 0.937 25564 160 1 1 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.744 0.426 25564 161 1 1 . 1 1 35 35 ALA H H 35 8.725 8.725 8.030 0.695 25564 162 1 1 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.530 0.053 25564 163 1 1 . 1 1 36 36 PRO C C 36 175.555 175.555 175.829 -0.274 25564 164 1 1 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.964 0.038 25564 165 1 1 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.435 -1.460 25564 166 1 1 . 1 1 37 37 ILE N N 37 114.656 114.656 118.977 -4.321 25564 167 1 1 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.612 -0.212 25564 168 1 1 . 1 1 37 37 ILE C C 37 176.204 176.204 176.018 0.186 25564 169 1 1 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.875 2.236 25564 170 1 1 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.001 1.641 25564 171 1 1 . 1 1 37 37 ILE H H 37 7.946 7.946 7.967 -0.021 25564 172 1 1 . 1 1 38 38 THR N N 38 109.332 109.332 113.916 -4.584 25564 173 1 1 . 1 1 38 38 THR HA H 38 4.576 4.576 4.627 -0.051 25564 174 1 1 . 1 1 38 38 THR C C 38 175.325 175.325 175.555 -0.230 25564 175 1 1 . 1 1 38 38 THR CA C 38 61.858 61.858 62.425 -0.567 25564 176 1 1 . 1 1 38 38 THR CB C 38 69.971 69.971 70.104 -0.133 25564 177 1 1 . 1 1 38 38 THR H H 38 9.767 9.767 8.870 0.897 25564 178 1 1 . 1 1 39 39 GLY N N 39 109.326 109.326 109.272 0.054 25564 179 1 1 . 1 1 39 39 GLY C C 39 169.390 169.390 171.837 -2.447 25564 180 1 1 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.991 -0.351 25564 181 1 1 . 1 1 39 39 GLY H H 39 7.641 7.641 7.902 -0.261 25564 182 1 1 . 1 1 40 40 TYR N N 40 113.638 113.638 118.236 -4.598 25564 183 1 1 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.707 -0.355 25564 184 1 1 . 1 1 40 40 TYR C C 40 174.719 174.719 175.117 -0.398 25564 185 1 1 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.653 0.336 25564 186 1 1 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.210 0.109 25564 187 1 1 . 1 1 40 40 TYR H H 40 8.470 8.470 8.749 -0.279 25564 188 1 1 . 1 1 41 41 ARG N N 41 125.140 125.140 121.761 3.379 25564 189 1 1 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.482 -0.200 25564 190 1 1 . 1 1 41 41 ARG C C 41 173.714 173.714 175.397 -1.683 25564 191 1 1 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.697 1.073 25564 192 1 1 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.234 1.467 25564 193 1 1 . 1 1 41 41 ARG H H 41 9.148 9.148 8.906 0.242 25564 194 1 1 . 1 1 42 42 ILE N N 42 126.999 126.999 122.085 4.914 25564 195 1 1 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.158 0.184 25564 196 1 1 . 1 1 42 42 ILE C C 42 174.706 174.706 174.997 -0.291 25564 197 1 1 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.724 -1.941 25564 198 1 1 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.883 -0.489 25564 199 1 1 . 1 1 42 42 ILE H H 42 9.237 9.237 8.809 0.428 25564 200 1 1 . 1 1 43 43 VAL N N 43 126.775 126.775 129.151 -2.376 25564 201 1 1 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.918 0.430 25564 202 1 1 . 1 1 43 43 VAL C C 43 175.795 175.795 175.478 0.317 25564 203 1 1 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.215 -0.611 25564 204 1 1 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.863 2.316 25564 205 1 1 . 1 1 43 43 VAL H H 43 9.369 9.369 9.080 0.289 25564 206 1 1 . 1 1 44 44 TYR N N 44 122.788 122.788 126.575 -3.787 25564 207 1 1 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.101 0.143 25564 208 1 1 . 1 1 44 44 TYR C C 44 174.353 174.353 175.038 -0.685 25564 209 1 1 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.317 1.093 25564 210 1 1 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.841 3.509 25564 211 1 1 . 1 1 44 44 TYR H H 44 9.253 9.253 8.914 0.339 25564 212 1 1 . 1 1 45 45 SER N N 45 114.339 114.339 116.256 -1.917 25564 213 1 1 . 1 1 45 45 SER HA H 45 5.208 5.208 4.951 0.257 25564 214 1 1 . 1 1 45 45 SER C C 45 171.693 171.693 172.021 -0.328 25564 215 1 1 . 1 1 45 45 SER CA C 45 55.870 55.870 55.032 0.838 25564 216 1 1 . 1 1 45 45 SER CB C 45 65.646 65.646 65.447 0.199 25564 217 1 1 . 1 1 45 45 SER H H 45 8.797 8.797 9.019 -0.222 25564 218 1 1 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.684 -0.298 25564 219 1 1 . 1 1 46 46 PRO C C 46 177.666 177.666 178.270 -0.604 25564 220 1 1 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.790 0.902 25564 221 1 1 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.820 0.197 25564 222 1 1 . 1 1 47 47 SER N N 47 118.732 118.732 121.308 -2.576 25564 223 1 1 . 1 1 47 47 SER HA H 47 4.069 4.069 4.162 -0.093 25564 224 1 1 . 1 1 47 47 SER C C 47 175.055 175.055 175.363 -0.308 25564 225 1 1 . 1 1 47 47 SER CA C 47 60.992 60.992 61.332 -0.340 25564 226 1 1 . 1 1 47 47 SER CB C 47 63.541 63.541 63.114 0.427 25564 227 1 1 . 1 1 47 47 SER H H 47 8.648 8.648 8.673 -0.025 25564 228 1 1 . 1 1 48 48 VAL N N 48 117.213 117.213 113.195 4.018 25564 229 1 1 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.281 -0.199 25564 230 1 1 . 1 1 48 48 VAL C C 48 175.456 175.456 174.780 0.676 25564 231 1 1 . 1 1 48 48 VAL CA C 48 62.987 62.987 60.547 2.440 25564 232 1 1 . 1 1 48 48 VAL CB C 48 32.869 32.869 31.396 1.472 25564 233 1 1 . 1 1 48 48 VAL H H 48 7.640 7.640 7.688 -0.048 25564 234 1 1 . 1 1 49 49 GLU N N 49 119.528 119.528 118.669 0.859 25564 235 1 1 . 1 1 49 49 GLU HA H 49 4.148 4.148 3.970 0.178 25564 236 1 1 . 1 1 49 49 GLU C C 49 176.081 176.081 175.617 0.464 25564 237 1 1 . 1 1 49 49 GLU CA C 49 57.174 57.174 57.285 -0.111 25564 238 1 1 . 1 1 49 49 GLU CB C 49 30.168 30.168 29.464 0.704 25564 239 1 1 . 1 1 49 49 GLU H H 49 8.150 8.150 7.660 0.490 25564 240 1 1 . 1 1 50 50 GLY N N 50 108.013 108.013 109.175 -1.162 25564 241 1 1 . 1 1 50 50 GLY C C 50 173.617 173.617 173.569 0.048 25564 242 1 1 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.843 0.567 25564 243 1 1 . 1 1 50 50 GLY H H 50 8.144 8.144 8.367 -0.223 25564 244 1 1 . 1 1 51 51 SER N N 51 115.893 115.893 121.138 -5.245 25564 245 1 1 . 1 1 51 51 SER HA H 51 4.604 4.604 4.782 -0.178 25564 246 1 1 . 1 1 51 51 SER CA C 51 58.145 58.145 58.780 -0.635 25564 247 1 1 . 1 1 51 51 SER CB C 51 64.429 64.429 63.283 1.145 25564 248 1 1 . 1 1 51 51 SER H H 51 8.248 8.248 8.425 -0.177 25564 249 1 1 . 1 1 52 52 SER HA H 52 4.795 4.795 5.600 -0.805 25564 250 1 1 . 1 1 52 52 SER C C 52 173.840 173.840 173.828 0.012 25564 251 1 1 . 1 1 52 52 SER CA C 52 58.319 58.319 56.818 1.501 25564 252 1 1 . 1 1 52 52 SER CB C 52 65.231 65.231 66.329 -1.098 25564 253 1 1 . 1 1 53 53 THR N N 53 121.052 121.052 117.145 3.907 25564 254 1 1 . 1 1 53 53 THR HA H 53 4.294 4.294 4.402 -0.108 25564 255 1 1 . 1 1 53 53 THR C C 53 171.241 171.241 171.852 -0.611 25564 256 1 1 . 1 1 53 53 THR CA C 53 62.799 62.799 61.789 1.010 25564 257 1 1 . 1 1 53 53 THR CB C 53 70.995 70.995 71.979 -0.984 25564 258 1 1 . 1 1 53 53 THR H H 53 8.344 8.344 8.393 -0.049 25564 259 1 1 . 1 1 54 54 GLU N N 54 125.190 125.190 125.565 -0.375 25564 260 1 1 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.484 0.130 25564 261 1 1 . 1 1 54 54 GLU C C 54 175.175 175.175 175.557 -0.382 25564 262 1 1 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.488 0.024 25564 263 1 1 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.267 2.404 25564 264 1 1 . 1 1 54 54 GLU H H 54 8.458 8.458 8.471 -0.013 25564 265 1 1 . 1 1 55 55 LEU N N 55 125.745 125.745 126.271 -0.526 25564 266 1 1 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.654 0.201 25564 267 1 1 . 1 1 55 55 LEU C C 55 175.121 175.121 175.344 -0.223 25564 268 1 1 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.945 0.061 25564 269 1 1 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.544 1.192 25564 270 1 1 . 1 1 55 55 LEU H H 55 9.755 9.755 8.703 1.052 25564 271 1 1 . 1 1 56 56 ASN N N 56 120.517 120.517 120.283 0.234 25564 272 1 1 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.682 -0.118 25564 273 1 1 . 1 1 56 56 ASN C C 56 174.180 174.180 174.142 0.038 25564 274 1 1 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.180 1.095 25564 275 1 1 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.071 1.380 25564 276 1 1 . 1 1 56 56 ASN H H 56 8.727 8.727 8.501 0.226 25564 277 1 1 . 1 1 57 57 LEU N N 57 123.534 123.534 126.384 -2.850 25564 278 1 1 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.052 0.083 25564 279 1 1 . 1 1 57 57 LEU C C 57 174.960 174.960 175.032 -0.072 25564 280 1 1 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.559 0.566 25564 281 1 1 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.411 0.397 25564 282 1 1 . 1 1 57 57 LEU H H 57 9.075 9.075 8.724 0.351 25564 283 1 1 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.569 0.486 25564 284 1 1 . 1 1 58 58 PRO C C 58 176.897 176.897 178.449 -1.552 25564 285 1 1 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.624 -0.034 25564 286 1 1 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.161 1.706 25564 287 1 1 . 1 1 59 59 GLU N N 59 117.522 117.522 120.715 -3.193 25564 288 1 1 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.106 -0.125 25564 289 1 1 . 1 1 59 59 GLU C C 59 175.246 175.246 176.719 -1.473 25564 290 1 1 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.874 -0.970 25564 291 1 1 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.843 0.081 25564 292 1 1 . 1 1 59 59 GLU H H 59 8.905 8.905 8.818 0.087 25564 293 1 1 . 1 1 60 60 THR N N 60 106.153 106.153 112.291 -6.138 25564 294 1 1 . 1 1 60 60 THR HA H 60 4.155 4.155 4.439 -0.284 25564 295 1 1 . 1 1 60 60 THR C C 60 175.087 175.087 173.411 1.676 25564 296 1 1 . 1 1 60 60 THR CA C 60 61.646 61.646 60.506 1.140 25564 297 1 1 . 1 1 60 60 THR CB C 60 69.638 69.638 67.956 1.682 25564 298 1 1 . 1 1 60 60 THR H H 60 7.056 7.056 7.886 -0.830 25564 299 1 1 . 1 1 61 61 ALA N N 61 125.590 125.590 124.341 1.249 25564 300 1 1 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.192 0.158 25564 301 1 1 . 1 1 61 61 ALA C C 61 176.988 176.988 175.737 1.251 25564 302 1 1 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.351 1.119 25564 303 1 1 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.894 1.330 25564 304 1 1 . 1 1 61 61 ALA H H 61 7.808 7.808 8.376 -0.568 25564 305 1 1 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.547 0.116 25564 306 1 1 . 1 1 62 62 ASN C C 62 171.666 171.666 172.580 -0.914 25564 307 1 1 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.168 0.010 25564 308 1 1 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.994 -0.318 25564 309 1 1 . 1 1 63 63 SER N N 63 109.802 109.802 113.647 -3.845 25564 310 1 1 . 1 1 63 63 SER HA H 63 4.341 4.341 4.527 -0.186 25564 311 1 1 . 1 1 63 63 SER C C 63 172.378 172.378 172.357 0.021 25564 312 1 1 . 1 1 63 63 SER CA C 63 56.541 56.541 57.469 -0.928 25564 313 1 1 . 1 1 63 63 SER CB C 63 65.498 65.498 64.942 0.556 25564 314 1 1 . 1 1 63 63 SER H H 63 6.764 6.764 6.631 0.133 25564 315 1 1 . 1 1 64 64 VAL N N 64 117.873 117.873 121.946 -4.073 25564 316 1 1 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.426 0.014 25564 317 1 1 . 1 1 64 64 VAL C C 64 171.395 171.395 174.588 -3.193 25564 318 1 1 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.855 0.889 25564 319 1 1 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.731 -0.640 25564 320 1 1 . 1 1 64 64 VAL H H 64 8.793 8.793 8.806 -0.013 25564 321 1 1 . 1 1 65 65 THR N N 65 123.328 123.328 124.729 -1.401 25564 322 1 1 . 1 1 65 65 THR HA H 65 4.703 4.703 4.521 0.182 25564 323 1 1 . 1 1 65 65 THR C C 65 173.608 173.608 174.096 -0.488 25564 324 1 1 . 1 1 65 65 THR CA C 65 62.094 62.094 62.289 -0.195 25564 325 1 1 . 1 1 65 65 THR CB C 65 69.754 69.754 68.169 1.585 25564 326 1 1 . 1 1 65 65 THR H H 65 8.377 8.377 8.478 -0.101 25564 327 1 1 . 1 1 66 66 LEU N N 66 130.029 130.029 128.248 1.781 25564 328 1 1 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.095 0.256 25564 329 1 1 . 1 1 66 66 LEU C C 66 174.738 174.738 176.064 -1.326 25564 330 1 1 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.777 -1.219 25564 331 1 1 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.628 -0.422 25564 332 1 1 . 1 1 66 66 LEU H H 66 9.232 9.232 8.537 0.695 25564 333 1 1 . 1 1 67 67 SER N N 67 117.107 117.107 115.727 1.380 25564 334 1 1 . 1 1 67 67 SER HA H 67 4.936 4.936 4.946 -0.010 25564 335 1 1 . 1 1 67 67 SER C C 67 172.509 172.509 174.073 -1.564 25564 336 1 1 . 1 1 67 67 SER CA C 67 57.340 57.340 56.930 0.410 25564 337 1 1 . 1 1 67 67 SER CB C 67 66.115 66.115 65.885 0.230 25564 338 1 1 . 1 1 67 67 SER H H 67 8.174 8.174 8.266 -0.092 25564 339 1 1 . 1 1 68 68 ASP N N 68 116.924 116.924 121.354 -4.430 25564 340 1 1 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.339 0.015 25564 341 1 1 . 1 1 68 68 ASP C C 68 175.654 175.654 174.740 0.914 25564 342 1 1 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.259 0.343 25564 343 1 1 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.817 -0.103 25564 344 1 1 . 1 1 68 68 ASP H H 68 9.003 9.003 8.289 0.714 25564 345 1 1 . 1 1 69 69 LEU N N 69 116.713 116.713 115.541 1.172 25564 346 1 1 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.448 -0.112 25564 347 1 1 . 1 1 69 69 LEU C C 69 175.793 175.793 176.706 -0.913 25564 348 1 1 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.172 -0.625 25564 349 1 1 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.996 -1.962 25564 350 1 1 . 1 1 69 69 LEU H H 69 8.605 8.605 7.028 1.577 25564 351 1 1 . 1 1 70 70 GLN N N 70 118.301 118.301 119.191 -0.890 25564 352 1 1 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.841 -0.075 25564 353 1 1 . 1 1 70 70 GLN C C 70 174.178 174.178 173.794 0.384 25564 354 1 1 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.267 0.681 25564 355 1 1 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.321 -0.695 25564 356 1 1 . 1 1 70 70 GLN H H 70 8.288 8.288 8.507 -0.219 25564 357 1 1 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.169 1.083 25564 358 1 1 . 1 1 71 71 PRO C C 71 177.837 177.837 177.554 0.283 25564 359 1 1 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.682 -0.584 25564 360 1 1 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.808 1.585 25564 361 1 1 . 1 1 72 72 GLY N N 72 111.077 111.077 110.888 0.189 25564 362 1 1 . 1 1 72 72 GLY C C 72 174.621 174.621 173.458 1.163 25564 363 1 1 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.414 1.812 25564 364 1 1 . 1 1 72 72 GLY H H 72 7.348 7.348 8.490 -1.142 25564 365 1 1 . 1 1 73 73 VAL N N 73 120.434 120.434 118.496 1.938 25564 366 1 1 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.398 -0.286 25564 367 1 1 . 1 1 73 73 VAL C C 73 173.963 173.963 174.745 -0.782 25564 368 1 1 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.487 1.207 25564 369 1 1 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.781 -0.358 25564 370 1 1 . 1 1 73 73 VAL H H 73 7.670 7.670 8.339 -0.669 25564 371 1 1 . 1 1 74 74 GLN N N 74 123.606 123.606 123.575 0.031 25564 372 1 1 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.439 -0.232 25564 373 1 1 . 1 1 74 74 GLN C C 74 174.283 174.283 174.420 -0.137 25564 374 1 1 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.737 0.768 25564 375 1 1 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.418 1.057 25564 376 1 1 . 1 1 74 74 GLN H H 74 8.263 8.263 8.703 -0.440 25564 377 1 1 . 1 1 75 75 TYR N N 75 127.153 127.153 127.181 -0.028 25564 378 1 1 . 1 1 75 75 TYR HA H 75 4.740 4.740 5.008 -0.268 25564 379 1 1 . 1 1 75 75 TYR C C 75 174.412 174.412 174.805 -0.393 25564 380 1 1 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.051 2.132 25564 381 1 1 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.377 -0.496 25564 382 1 1 . 1 1 75 75 TYR H H 75 8.916 8.916 8.980 -0.064 25564 383 1 1 . 1 1 76 76 ASN N N 76 120.363 120.363 124.199 -3.836 25564 384 1 1 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.906 0.287 25564 385 1 1 . 1 1 76 76 ASN C C 76 174.903 174.903 174.169 0.734 25564 386 1 1 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.404 -0.565 25564 387 1 1 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.723 0.616 25564 388 1 1 . 1 1 76 76 ASN H H 76 9.014 9.014 8.933 0.081 25564 389 1 1 . 1 1 77 77 ILE N N 77 127.376 127.376 127.869 -0.493 25564 390 1 1 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.414 0.234 25564 391 1 1 . 1 1 77 77 ILE C C 77 173.510 173.510 175.040 -1.530 25564 392 1 1 . 1 1 77 77 ILE CA C 77 61.356 61.356 60.940 0.416 25564 393 1 1 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.301 2.610 25564 394 1 1 . 1 1 77 77 ILE H H 77 9.466 9.466 8.982 0.484 25564 395 1 1 . 1 1 78 78 THR N N 78 124.282 124.282 126.576 -2.294 25564 396 1 1 . 1 1 78 78 THR HA H 78 5.117 5.117 5.488 -0.371 25564 397 1 1 . 1 1 78 78 THR C C 78 173.140 173.140 173.855 -0.715 25564 398 1 1 . 1 1 78 78 THR CA C 78 61.961 61.961 61.144 0.817 25564 399 1 1 . 1 1 78 78 THR CB C 78 70.244 70.244 69.574 0.670 25564 400 1 1 . 1 1 78 78 THR H H 78 9.535 9.535 8.863 0.672 25564 401 1 1 . 1 1 79 79 ILE N N 79 125.033 125.033 126.143 -1.110 25564 402 1 1 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.319 0.272 25564 403 1 1 . 1 1 79 79 ILE C C 79 173.827 173.827 174.794 -0.967 25564 404 1 1 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.458 2.290 25564 405 1 1 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.280 2.990 25564 406 1 1 . 1 1 79 79 ILE H H 79 8.974 8.974 8.346 0.628 25564 407 1 1 . 1 1 80 80 TYR N N 80 122.647 122.647 124.809 -2.162 25564 408 1 1 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.557 -0.038 25564 409 1 1 . 1 1 80 80 TYR C C 80 177.072 177.072 173.982 3.090 25564 410 1 1 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.901 0.499 25564 411 1 1 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.869 1.031 25564 412 1 1 . 1 1 80 80 TYR H H 80 9.137 9.137 8.943 0.194 25564 413 1 1 . 1 1 81 81 ALA N N 81 124.412 124.412 128.196 -3.784 25564 414 1 1 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.329 1.424 25564 415 1 1 . 1 1 81 81 ALA C C 81 175.811 175.811 175.103 0.708 25564 416 1 1 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.061 0.596 25564 417 1 1 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.933 2.383 25564 418 1 1 . 1 1 81 81 ALA H H 81 8.764 8.764 8.818 -0.054 25564 419 1 1 . 1 1 82 82 VAL N N 82 120.278 120.278 123.954 -3.676 25564 420 1 1 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.517 0.096 25564 421 1 1 . 1 1 82 82 VAL C C 82 174.662 174.662 174.243 0.419 25564 422 1 1 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.324 0.855 25564 423 1 1 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.174 -0.503 25564 424 1 1 . 1 1 82 82 VAL H H 82 8.276 8.276 8.486 -0.210 25564 425 1 1 . 1 1 83 83 GLU N N 83 127.125 127.125 127.720 -0.595 25564 426 1 1 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.773 -0.236 25564 427 1 1 . 1 1 83 83 GLU C C 83 175.133 175.133 176.196 -1.063 25564 428 1 1 . 1 1 83 83 GLU CA C 83 56.000 56.000 53.632 2.368 25564 429 1 1 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.569 -0.853 25564 430 1 1 . 1 1 83 83 GLU H H 83 8.849 8.849 8.750 0.099 25564 431 1 1 . 1 1 84 84 GLU N N 84 125.009 125.009 122.727 2.282 25564 432 1 1 . 1 1 84 84 GLU HA H 84 3.682 3.682 4.017 -0.335 25564 433 1 1 . 1 1 84 84 GLU C C 84 174.988 174.988 177.424 -2.436 25564 434 1 1 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.325 0.037 25564 435 1 1 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.865 -2.143 25564 436 1 1 . 1 1 84 84 GLU H H 84 8.952 8.952 8.737 0.215 25564 437 1 1 . 1 1 85 85 ASN N N 85 119.010 119.010 115.119 3.891 25564 438 1 1 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.694 0.012 25564 439 1 1 . 1 1 85 85 ASN C C 85 174.499 174.499 175.107 -0.608 25564 440 1 1 . 1 1 85 85 ASN CA C 85 53.953 53.953 54.386 -0.433 25564 441 1 1 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.732 -0.702 25564 442 1 1 . 1 1 85 85 ASN H H 85 8.412 8.412 8.450 -0.038 25564 443 1 1 . 1 1 86 86 GLN N N 86 119.080 119.080 117.166 1.914 25564 444 1 1 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.625 -0.021 25564 445 1 1 . 1 1 86 86 GLN C C 86 174.270 174.270 173.603 0.667 25564 446 1 1 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.722 0.570 25564 447 1 1 . 1 1 86 86 GLN CB C 86 32.011 32.011 33.083 -1.072 25564 448 1 1 . 1 1 86 86 GLN H H 86 8.086 8.086 7.710 0.376 25564 449 1 1 . 1 1 87 87 GLU N N 87 120.589 120.589 120.094 0.495 25564 450 1 1 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.798 0.416 25564 451 1 1 . 1 1 87 87 GLU C C 87 176.092 176.092 176.188 -0.096 25564 452 1 1 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.396 -0.674 25564 453 1 1 . 1 1 87 87 GLU CB C 87 33.715 33.715 31.764 1.952 25564 454 1 1 . 1 1 87 87 GLU H H 87 8.498 8.498 8.620 -0.122 25564 455 1 1 . 1 1 88 88 SER N N 88 116.013 116.013 121.887 -5.874 25564 456 1 1 . 1 1 88 88 SER HA H 88 4.547 4.547 4.500 0.048 25564 457 1 1 . 1 1 88 88 SER C C 88 175.202 175.202 175.338 -0.136 25564 458 1 1 . 1 1 88 88 SER CA C 88 58.211 58.211 59.141 -0.930 25564 459 1 1 . 1 1 88 88 SER CB C 88 66.959 66.959 64.091 2.868 25564 460 1 1 . 1 1 88 88 SER H H 88 8.954 8.954 8.742 0.212 25564 461 1 1 . 1 1 89 89 THR N N 89 114.798 114.798 114.892 -0.094 25564 462 1 1 . 1 1 89 89 THR HA H 89 4.520 4.520 4.296 0.224 25564 463 1 1 . 1 1 89 89 THR C C 89 173.754 173.754 173.104 0.650 25564 464 1 1 . 1 1 89 89 THR CA C 89 61.673 61.673 61.434 0.239 25564 465 1 1 . 1 1 89 89 THR CB C 89 69.286 69.286 68.538 0.748 25564 466 1 1 . 1 1 89 89 THR H H 89 8.559 8.559 8.372 0.187 25564 467 1 1 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.442 -0.287 25564 468 1 1 . 1 1 90 90 PRO C C 90 177.970 177.970 176.226 1.744 25564 469 1 1 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.554 1.171 25564 470 1 1 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.895 -0.492 25564 471 1 1 . 1 1 91 91 VAL N N 91 120.679 120.679 124.208 -3.529 25564 472 1 1 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.003 0.274 25564 473 1 1 . 1 1 91 91 VAL C C 91 173.958 173.958 174.647 -0.689 25564 474 1 1 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.798 -0.200 25564 475 1 1 . 1 1 91 91 VAL CB C 91 33.947 33.947 31.970 1.977 25564 476 1 1 . 1 1 91 91 VAL H H 91 8.189 8.189 8.479 -0.290 25564 477 1 1 . 1 1 92 92 VAL N N 92 125.593 125.593 128.387 -2.794 25564 478 1 1 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.650 0.357 25564 479 1 1 . 1 1 92 92 VAL C C 92 176.045 176.045 175.629 0.416 25564 480 1 1 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.753 0.608 25564 481 1 1 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.442 2.692 25564 482 1 1 . 1 1 92 92 VAL H H 92 8.300 8.300 8.437 -0.137 25564 483 1 1 . 1 1 93 93 ILE N N 93 127.733 127.733 125.128 2.605 25564 484 1 1 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.684 -0.268 25564 485 1 1 . 1 1 93 93 ILE C C 93 174.071 174.071 174.401 -0.330 25564 486 1 1 . 1 1 93 93 ILE CA C 93 59.838 59.838 60.071 -0.233 25564 487 1 1 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.741 2.491 25564 488 1 1 . 1 1 93 93 ILE H H 93 9.471 9.471 8.960 0.511 25564 489 1 1 . 1 1 94 94 GLN N N 94 123.610 123.610 126.942 -3.332 25564 490 1 1 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.247 0.294 25564 491 1 1 . 1 1 94 94 GLN C C 94 175.328 175.328 175.209 0.119 25564 492 1 1 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.409 0.173 25564 493 1 1 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.392 1.637 25564 494 1 1 . 1 1 94 94 GLN H H 94 8.522 8.522 8.641 -0.119 25564 495 1 1 . 1 1 95 95 GLN N N 95 123.044 123.044 123.821 -0.777 25564 496 1 1 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.693 -0.183 25564 497 1 1 . 1 1 95 95 GLN C C 95 173.530 173.530 174.644 -1.114 25564 498 1 1 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.366 0.556 25564 499 1 1 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.787 -0.264 25564 500 1 1 . 1 1 95 95 GLN H H 95 8.893 8.893 9.024 -0.131 25564 501 1 1 . 1 1 96 96 GLU N N 96 128.881 128.881 125.265 3.616 25564 502 1 1 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.877 0.866 25564 503 1 1 . 1 1 96 96 GLU C C 96 178.926 178.926 176.614 2.312 25564 504 1 1 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.839 -1.020 25564 505 1 1 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.631 0.894 25564 506 1 1 . 1 1 96 96 GLU H H 96 8.913 8.913 8.666 0.247 25564 507 1 1 . 1 1 97 97 THR N N 97 116.022 116.022 118.870 -2.848 25564 508 1 1 . 1 1 97 97 THR HA H 97 4.344 4.344 4.437 -0.093 25564 509 1 1 . 1 1 97 97 THR C C 97 176.660 176.660 175.592 1.068 25564 510 1 1 . 1 1 97 97 THR CA C 97 61.453 61.453 62.774 -1.321 25564 511 1 1 . 1 1 97 97 THR CB C 97 69.742 69.742 69.177 0.564 25564 512 1 1 . 1 1 97 97 THR H H 97 8.740 8.740 8.900 -0.160 25564 513 1 1 . 1 1 98 98 THR N N 98 110.068 110.068 122.080 -12.012 25564 514 1 1 . 1 1 98 98 THR HA H 98 4.270 4.270 4.142 0.128 25564 515 1 1 . 1 1 98 98 THR C C 98 173.859 173.859 174.762 -0.903 25564 516 1 1 . 1 1 98 98 THR CA C 98 62.659 62.659 64.014 -1.355 25564 517 1 1 . 1 1 98 98 THR CB C 98 69.654 69.654 69.098 0.556 25564 518 1 1 . 1 1 98 98 THR H H 98 7.287 7.287 8.705 -1.418 25564 519 1 1 . 1 1 99 99 GLY N N 99 103.540 103.540 109.105 -5.565 25564 520 1 1 . 1 1 99 99 GLY C C 99 174.225 174.225 173.071 1.154 25564 521 1 1 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.443 0.512 25564 522 1 1 . 1 1 99 99 GLY H H 99 8.033 8.033 7.252 0.781 25564 523 1 1 . 1 1 100 100 THR N N 100 114.887 114.887 117.399 -2.512 25564 524 1 1 . 1 1 100 100 THR HA H 100 4.623 4.623 4.412 0.211 25564 525 1 1 . 1 1 100 100 THR C C 100 172.336 172.336 173.173 -0.837 25564 526 1 1 . 1 1 100 100 THR CA C 100 59.775 59.775 61.846 -2.071 25564 527 1 1 . 1 1 100 100 THR CB C 100 70.644 70.644 68.865 1.780 25564 528 1 1 . 1 1 100 100 THR H H 100 8.055 8.055 8.214 -0.159 25564 529 1 1 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.199 0.300 25564 530 1 1 . 1 1 101 101 PRO C C 101 177.344 177.344 175.940 1.404 25564 531 1 1 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.602 -0.494 25564 532 1 1 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.718 0.568 25564 533 1 1 . 1 1 102 102 ARG N N 102 122.476 122.476 125.968 -3.492 25564 534 1 1 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.396 -0.082 25564 535 1 1 . 1 1 102 102 ARG C C 102 176.790 176.790 175.632 1.158 25564 536 1 1 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.056 0.348 25564 537 1 1 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.744 0.521 25564 538 1 1 . 1 1 102 102 ARG H H 102 8.771 8.771 8.200 0.571 25564 539 1 1 . 1 1 103 103 SER HA H 103 4.523 4.523 4.136 0.387 25564 540 1 1 . 1 1 103 103 SER CA C 103 58.311 58.311 58.964 -0.653 25564 541 1 1 . 1 1 103 103 SER CB C 103 64.168 64.168 62.216 1.952 25564 542 1 1 . 1 1 104 104 ASP N N 104 122.461 122.461 121.756 0.705 25564 543 1 1 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.450 0.198 25564 544 1 1 . 1 1 104 104 ASP CA C 104 54.566 54.566 55.039 -0.473 25564 545 1 1 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.895 0.488 25564 546 1 1 . 1 1 104 104 ASP H H 104 8.418 8.418 8.226 0.192 25564 547 1 1 . 1 1 105 105 GLY N N 105 109.250 109.250 112.734 -3.484 25564 548 1 1 . 1 1 105 105 GLY C C 105 173.987 173.987 174.190 -0.203 25564 549 1 1 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.206 1.567 25564 550 1 1 . 1 1 105 105 GLY H H 105 8.390 8.390 8.132 0.258 25564 551 1 2 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.553 0.070 25564 552 1 2 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.612 1.324 25564 553 1 2 . 1 1 3 3 HIS CB C 3 31.271 31.271 29.856 1.415 25564 554 1 2 . 1 1 7 7 THR HA H 7 4.470 4.470 4.411 0.059 25564 555 1 2 . 1 1 7 7 THR CA C 7 61.923 61.923 62.212 -0.289 25564 556 1 2 . 1 1 7 7 THR CB C 7 70.142 70.142 69.434 0.708 25564 557 1 2 . 1 1 8 8 THR N N 8 116.706 116.706 117.720 -1.014 25564 558 1 2 . 1 1 8 8 THR HA H 8 4.371 4.371 4.113 0.258 25564 559 1 2 . 1 1 8 8 THR C C 8 173.590 173.590 172.976 0.614 25564 560 1 2 . 1 1 8 8 THR CA C 8 61.606 61.606 61.996 -0.390 25564 561 1 2 . 1 1 8 8 THR CB C 8 70.303 70.303 69.126 1.177 25564 562 1 2 . 1 1 8 8 THR H H 8 8.238 8.238 8.050 0.188 25564 563 1 2 . 1 1 9 9 ALA N N 9 127.030 127.030 128.408 -1.378 25564 564 1 2 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.667 -0.374 25564 565 1 2 . 1 1 9 9 ALA C C 9 175.005 175.005 175.629 -0.624 25564 566 1 2 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.149 0.664 25564 567 1 2 . 1 1 9 9 ALA CB C 9 18.430 18.430 20.242 -1.812 25564 568 1 2 . 1 1 9 9 ALA H H 9 8.220 8.220 8.222 -0.002 25564 569 1 2 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.498 -0.169 25564 570 1 2 . 1 1 10 10 PRO C C 10 175.138 175.138 175.635 -0.497 25564 571 1 2 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.649 0.148 25564 572 1 2 . 1 1 10 10 PRO CB C 10 31.837 31.837 33.307 -1.470 25564 573 1 2 . 1 1 11 11 ASP N N 11 116.244 116.244 120.764 -4.520 25564 574 1 2 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.868 -0.458 25564 575 1 2 . 1 1 11 11 ASP C C 11 174.009 174.009 175.661 -1.652 25564 576 1 2 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.621 -0.238 25564 577 1 2 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.417 -3.588 25564 578 1 2 . 1 1 11 11 ASP H H 11 9.038 9.038 8.384 0.654 25564 579 1 2 . 1 1 12 12 ALA N N 12 120.012 120.012 125.763 -5.751 25564 580 1 2 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.464 0.003 25564 581 1 2 . 1 1 12 12 ALA C C 12 175.669 175.669 175.359 0.310 25564 582 1 2 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.706 -0.466 25564 583 1 2 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.477 -0.567 25564 584 1 2 . 1 1 12 12 ALA H H 12 7.944 7.944 7.941 0.003 25564 585 1 2 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.826 -0.337 25564 586 1 2 . 1 1 13 13 PRO CA C 13 61.325 61.325 62.080 -0.755 25564 587 1 2 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.454 0.375 25564 588 1 2 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.285 0.201 25564 589 1 2 . 1 1 14 14 PRO C C 14 175.966 175.966 176.182 -0.216 25564 590 1 2 . 1 1 14 14 PRO CA C 14 62.995 62.995 63.058 -0.063 25564 591 1 2 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.408 0.221 25564 592 1 2 . 1 1 15 15 ASP N N 15 117.405 117.405 121.736 -4.331 25564 593 1 2 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.442 0.116 25564 594 1 2 . 1 1 15 15 ASP C C 15 173.011 173.011 174.934 -1.923 25564 595 1 2 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.519 -0.289 25564 596 1 2 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.534 0.788 25564 597 1 2 . 1 1 15 15 ASP H H 15 8.470 8.470 8.503 -0.033 25564 598 1 2 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.554 0.798 25564 599 1 2 . 1 1 16 16 PRO C C 16 177.534 177.534 176.516 1.018 25564 600 1 2 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.084 0.520 25564 601 1 2 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.996 -1.512 25564 602 1 2 . 1 1 17 17 THR N N 17 117.955 117.955 118.771 -0.816 25564 603 1 2 . 1 1 17 17 THR HA H 17 4.563 4.563 4.512 0.051 25564 604 1 2 . 1 1 17 17 THR C C 17 172.578 172.578 173.803 -1.225 25564 605 1 2 . 1 1 17 17 THR CA C 17 61.093 61.093 61.647 -0.554 25564 606 1 2 . 1 1 17 17 THR CB C 17 72.478 72.478 70.302 2.176 25564 607 1 2 . 1 1 17 17 THR H H 17 9.415 9.415 8.560 0.855 25564 608 1 2 . 1 1 18 18 VAL N N 18 124.494 124.494 128.329 -3.835 25564 609 1 2 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.283 0.089 25564 610 1 2 . 1 1 18 18 VAL C C 18 175.392 175.392 176.151 -0.759 25564 611 1 2 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.381 0.469 25564 612 1 2 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.556 0.518 25564 613 1 2 . 1 1 18 18 VAL H H 18 8.645 8.645 8.776 -0.131 25564 614 1 2 . 1 1 19 19 ASP N N 19 129.904 129.904 128.216 1.688 25564 615 1 2 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.559 0.164 25564 616 1 2 . 1 1 19 19 ASP C C 19 175.427 175.427 175.706 -0.279 25564 617 1 2 . 1 1 19 19 ASP CA C 19 54.903 54.903 56.036 -1.133 25564 618 1 2 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.062 2.209 25564 619 1 2 . 1 1 19 19 ASP H H 19 8.805 8.805 8.704 0.101 25564 620 1 2 . 1 1 20 20 GLN N N 20 115.835 115.835 117.745 -1.910 25564 621 1 2 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.619 -0.169 25564 622 1 2 . 1 1 20 20 GLN C C 20 173.593 173.593 173.986 -0.393 25564 623 1 2 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.657 1.288 25564 624 1 2 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.050 -1.061 25564 625 1 2 . 1 1 20 20 GLN H H 20 7.431 7.431 7.783 -0.352 25564 626 1 2 . 1 1 21 21 VAL N N 21 122.956 122.956 119.331 3.625 25564 627 1 2 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.594 0.125 25564 628 1 2 . 1 1 21 21 VAL C C 21 173.753 173.753 174.763 -1.010 25564 629 1 2 . 1 1 21 21 VAL CA C 21 61.319 61.319 60.526 0.793 25564 630 1 2 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.663 2.340 25564 631 1 2 . 1 1 21 21 VAL H H 21 8.317 8.317 8.514 -0.197 25564 632 1 2 . 1 1 22 22 ASP N N 22 129.722 129.722 126.654 3.068 25564 633 1 2 . 1 1 22 22 ASP HA H 22 4.754 4.754 4.988 -0.234 25564 634 1 2 . 1 1 22 22 ASP C C 22 176.114 176.114 177.017 -0.903 25564 635 1 2 . 1 1 22 22 ASP CA C 22 53.639 53.639 53.787 -0.148 25564 636 1 2 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.173 -1.796 25564 637 1 2 . 1 1 22 22 ASP H H 22 8.778 8.778 8.722 0.056 25564 638 1 2 . 1 1 23 23 ASP N N 23 115.970 115.970 117.023 -1.053 25564 639 1 2 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.478 0.156 25564 640 1 2 . 1 1 23 23 ASP C C 23 175.820 175.820 175.850 -0.030 25564 641 1 2 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.384 -1.057 25564 642 1 2 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.517 0.389 25564 643 1 2 . 1 1 23 23 ASP H H 23 8.049 8.049 8.565 -0.516 25564 644 1 2 . 1 1 24 24 THR N N 24 97.756 97.756 106.819 -9.063 25564 645 1 2 . 1 1 24 24 THR HA H 24 4.566 4.566 4.593 -0.027 25564 646 1 2 . 1 1 24 24 THR C C 24 174.274 174.274 172.845 1.429 25564 647 1 2 . 1 1 24 24 THR CA C 24 59.595 59.595 60.582 -0.987 25564 648 1 2 . 1 1 24 24 THR CB C 24 71.670 71.670 69.285 2.385 25564 649 1 2 . 1 1 24 24 THR H H 24 7.392 7.392 7.833 -0.441 25564 650 1 2 . 1 1 25 25 SER N N 25 116.249 116.249 115.691 0.558 25564 651 1 2 . 1 1 25 25 SER HA H 25 5.440 5.440 5.318 0.122 25564 652 1 2 . 1 1 25 25 SER C C 25 171.891 171.891 172.356 -0.465 25564 653 1 2 . 1 1 25 25 SER CA C 25 57.670 57.670 58.179 -0.509 25564 654 1 2 . 1 1 25 25 SER CB C 25 67.439 67.439 65.877 1.562 25564 655 1 2 . 1 1 25 25 SER H H 25 7.693 7.693 7.595 0.098 25564 656 1 2 . 1 1 26 26 ILE N N 26 118.594 118.594 124.073 -5.479 25564 657 1 2 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.941 -0.527 25564 658 1 2 . 1 1 26 26 ILE C C 26 174.020 174.020 173.823 0.197 25564 659 1 2 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.507 0.627 25564 660 1 2 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.898 2.190 25564 661 1 2 . 1 1 26 26 ILE H H 26 8.141 8.141 8.701 -0.560 25564 662 1 2 . 1 1 27 27 VAL N N 27 126.778 126.778 125.937 0.841 25564 663 1 2 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.174 -0.201 25564 664 1 2 . 1 1 27 27 VAL C C 27 175.692 175.692 174.728 0.964 25564 665 1 2 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.396 1.053 25564 666 1 2 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.695 0.118 25564 667 1 2 . 1 1 27 27 VAL H H 27 8.642 8.642 8.479 0.163 25564 668 1 2 . 1 1 28 28 VAL N N 28 127.624 127.624 124.400 3.224 25564 669 1 2 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.913 -0.053 25564 670 1 2 . 1 1 28 28 VAL C C 28 173.467 173.467 173.796 -0.329 25564 671 1 2 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.180 1.274 25564 672 1 2 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.722 -0.770 25564 673 1 2 . 1 1 28 28 VAL H H 28 8.656 8.656 8.877 -0.221 25564 674 1 2 . 1 1 29 29 ARG N N 29 123.905 123.905 125.121 -1.216 25564 675 1 2 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.835 -0.118 25564 676 1 2 . 1 1 29 29 ARG C C 29 174.147 174.147 175.171 -1.024 25564 677 1 2 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.412 0.454 25564 678 1 2 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.673 1.518 25564 679 1 2 . 1 1 29 29 ARG H H 29 9.075 9.075 8.392 0.683 25564 680 1 2 . 1 1 30 30 TRP N N 30 116.284 116.284 123.929 -7.645 25564 681 1 2 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.054 -0.208 25564 682 1 2 . 1 1 30 30 TRP C C 30 174.778 174.778 175.847 -1.069 25564 683 1 2 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.669 2.866 25564 684 1 2 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.506 -0.208 25564 685 1 2 . 1 1 30 30 TRP H H 30 7.512 7.512 7.887 -0.375 25564 686 1 2 . 1 1 31 31 SER HA H 31 4.747 4.747 4.548 0.199 25564 687 1 2 . 1 1 31 31 SER C C 31 172.773 172.773 174.403 -1.630 25564 688 1 2 . 1 1 31 31 SER CA C 31 57.875 57.875 58.153 -0.278 25564 689 1 2 . 1 1 31 31 SER CB C 31 64.093 64.093 62.692 1.401 25564 690 1 2 . 1 1 32 32 ARG N N 32 122.062 122.062 125.344 -3.282 25564 691 1 2 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.685 0.194 25564 692 1 2 . 1 1 32 32 ARG C C 32 175.788 175.788 175.159 0.629 25564 693 1 2 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.205 -0.920 25564 694 1 2 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.390 2.030 25564 695 1 2 . 1 1 32 32 ARG H H 32 8.337 8.337 7.775 0.562 25564 696 1 2 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.593 -0.117 25564 697 1 2 . 1 1 33 33 PRO C C 33 175.739 175.739 176.927 -1.188 25564 698 1 2 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.730 1.236 25564 699 1 2 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.258 -0.283 25564 700 1 2 . 1 1 34 34 GLN N N 34 122.510 122.510 119.730 2.780 25564 701 1 2 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.289 -0.135 25564 702 1 2 . 1 1 34 34 GLN C C 34 177.396 177.396 175.943 1.453 25564 703 1 2 . 1 1 34 34 GLN CA C 34 57.503 57.503 57.059 0.445 25564 704 1 2 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.737 0.909 25564 705 1 2 . 1 1 34 34 GLN H H 34 10.310 10.310 8.564 1.746 25564 706 1 2 . 1 1 35 35 ALA N N 35 123.797 123.797 124.014 -0.217 25564 707 1 2 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.388 0.090 25564 708 1 2 . 1 1 35 35 ALA C C 35 174.959 174.959 175.685 -0.726 25564 709 1 2 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.260 0.607 25564 710 1 2 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.879 0.291 25564 711 1 2 . 1 1 35 35 ALA H H 35 8.725 8.725 7.720 1.005 25564 712 1 2 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.457 0.126 25564 713 1 2 . 1 1 36 36 PRO C C 36 175.555 175.555 175.628 -0.073 25564 714 1 2 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.198 -0.196 25564 715 1 2 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.161 -1.186 25564 716 1 2 . 1 1 37 37 ILE N N 37 114.656 114.656 118.899 -4.243 25564 717 1 2 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.577 -0.177 25564 718 1 2 . 1 1 37 37 ILE C C 37 176.204 176.204 175.731 0.473 25564 719 1 2 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.011 2.100 25564 720 1 2 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.529 1.113 25564 721 1 2 . 1 1 37 37 ILE H H 37 7.946 7.946 7.827 0.119 25564 722 1 2 . 1 1 38 38 THR N N 38 109.332 109.332 113.355 -4.023 25564 723 1 2 . 1 1 38 38 THR HA H 38 4.576 4.576 4.550 0.026 25564 724 1 2 . 1 1 38 38 THR C C 38 175.325 175.325 175.357 -0.032 25564 725 1 2 . 1 1 38 38 THR CA C 38 61.858 61.858 62.112 -0.254 25564 726 1 2 . 1 1 38 38 THR CB C 38 69.971 69.971 70.430 -0.459 25564 727 1 2 . 1 1 38 38 THR H H 38 9.767 9.767 8.912 0.855 25564 728 1 2 . 1 1 39 39 GLY N N 39 109.326 109.326 109.505 -0.179 25564 729 1 2 . 1 1 39 39 GLY C C 39 169.390 169.390 171.462 -2.072 25564 730 1 2 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.018 -0.378 25564 731 1 2 . 1 1 39 39 GLY H H 39 7.641 7.641 7.857 -0.216 25564 732 1 2 . 1 1 40 40 TYR N N 40 113.638 113.638 118.557 -4.919 25564 733 1 2 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.704 -0.352 25564 734 1 2 . 1 1 40 40 TYR C C 40 174.719 174.719 175.209 -0.490 25564 735 1 2 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.797 0.192 25564 736 1 2 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.979 0.340 25564 737 1 2 . 1 1 40 40 TYR H H 40 8.470 8.470 8.686 -0.216 25564 738 1 2 . 1 1 41 41 ARG N N 41 125.140 125.140 122.157 2.983 25564 739 1 2 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.392 -0.110 25564 740 1 2 . 1 1 41 41 ARG C C 41 173.714 173.714 175.261 -1.547 25564 741 1 2 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.096 1.673 25564 742 1 2 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.434 2.268 25564 743 1 2 . 1 1 41 41 ARG H H 41 9.148 9.148 8.969 0.179 25564 744 1 2 . 1 1 42 42 ILE N N 42 126.999 126.999 122.153 4.846 25564 745 1 2 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.009 0.333 25564 746 1 2 . 1 1 42 42 ILE C C 42 174.706 174.706 174.969 -0.263 25564 747 1 2 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.838 -2.055 25564 748 1 2 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.591 -0.197 25564 749 1 2 . 1 1 42 42 ILE H H 42 9.237 9.237 8.841 0.396 25564 750 1 2 . 1 1 43 43 VAL N N 43 126.775 126.775 128.782 -2.007 25564 751 1 2 . 1 1 43 43 VAL HA H 43 5.348 5.348 5.087 0.261 25564 752 1 2 . 1 1 43 43 VAL C C 43 175.795 175.795 175.692 0.103 25564 753 1 2 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.554 0.050 25564 754 1 2 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.671 2.508 25564 755 1 2 . 1 1 43 43 VAL H H 43 9.369 9.369 9.097 0.272 25564 756 1 2 . 1 1 44 44 TYR N N 44 122.788 122.788 126.164 -3.376 25564 757 1 2 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.915 0.329 25564 758 1 2 . 1 1 44 44 TYR C C 44 174.353 174.353 174.910 -0.557 25564 759 1 2 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.285 1.125 25564 760 1 2 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.274 3.076 25564 761 1 2 . 1 1 44 44 TYR H H 44 9.253 9.253 8.891 0.362 25564 762 1 2 . 1 1 45 45 SER N N 45 114.339 114.339 117.686 -3.347 25564 763 1 2 . 1 1 45 45 SER HA H 45 5.208 5.208 5.044 0.164 25564 764 1 2 . 1 1 45 45 SER C C 45 171.693 171.693 172.352 -0.659 25564 765 1 2 . 1 1 45 45 SER CA C 45 55.870 55.870 55.344 0.526 25564 766 1 2 . 1 1 45 45 SER CB C 45 65.646 65.646 65.954 -0.308 25564 767 1 2 . 1 1 45 45 SER H H 45 8.797 8.797 9.065 -0.268 25564 768 1 2 . 1 1 46 46 PRO HA H 46 4.386 4.386 5.114 -0.728 25564 769 1 2 . 1 1 46 46 PRO C C 46 177.666 177.666 176.759 0.907 25564 770 1 2 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.043 0.649 25564 771 1 2 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.184 -0.167 25564 772 1 2 . 1 1 47 47 SER N N 47 118.732 118.732 117.328 1.404 25564 773 1 2 . 1 1 47 47 SER HA H 47 4.069 4.069 4.334 -0.265 25564 774 1 2 . 1 1 47 47 SER C C 47 175.055 175.055 175.253 -0.198 25564 775 1 2 . 1 1 47 47 SER CA C 47 60.992 60.992 60.390 0.602 25564 776 1 2 . 1 1 47 47 SER CB C 47 63.541 63.541 63.632 -0.091 25564 777 1 2 . 1 1 47 47 SER H H 47 8.648 8.648 8.364 0.284 25564 778 1 2 . 1 1 48 48 VAL N N 48 117.213 117.213 118.860 -1.647 25564 779 1 2 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.033 0.049 25564 780 1 2 . 1 1 48 48 VAL C C 48 175.456 175.456 175.047 0.409 25564 781 1 2 . 1 1 48 48 VAL CA C 48 62.987 62.987 63.159 -0.172 25564 782 1 2 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.005 -0.136 25564 783 1 2 . 1 1 48 48 VAL H H 48 7.640 7.640 7.872 -0.232 25564 784 1 2 . 1 1 49 49 GLU N N 49 119.528 119.528 118.546 0.982 25564 785 1 2 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.324 -0.176 25564 786 1 2 . 1 1 49 49 GLU C C 49 176.081 176.081 174.719 1.362 25564 787 1 2 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.455 0.719 25564 788 1 2 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.632 -1.464 25564 789 1 2 . 1 1 49 49 GLU H H 49 8.150 8.150 7.796 0.354 25564 790 1 2 . 1 1 50 50 GLY N N 50 108.013 108.013 110.433 -2.420 25564 791 1 2 . 1 1 50 50 GLY C C 50 173.617 173.617 173.478 0.139 25564 792 1 2 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.932 0.478 25564 793 1 2 . 1 1 50 50 GLY H H 50 8.144 8.144 8.115 0.029 25564 794 1 2 . 1 1 51 51 SER N N 51 115.893 115.893 119.001 -3.108 25564 795 1 2 . 1 1 51 51 SER HA H 51 4.604 4.604 4.698 -0.094 25564 796 1 2 . 1 1 51 51 SER CA C 51 58.145 58.145 58.516 -0.371 25564 797 1 2 . 1 1 51 51 SER CB C 51 64.429 64.429 64.101 0.328 25564 798 1 2 . 1 1 51 51 SER H H 51 8.248 8.248 8.731 -0.483 25564 799 1 2 . 1 1 52 52 SER HA H 52 4.795 4.795 5.398 -0.603 25564 800 1 2 . 1 1 52 52 SER C C 52 173.840 173.840 173.785 0.055 25564 801 1 2 . 1 1 52 52 SER CA C 52 58.319 58.319 57.836 0.483 25564 802 1 2 . 1 1 52 52 SER CB C 52 65.231 65.231 64.862 0.369 25564 803 1 2 . 1 1 53 53 THR N N 53 121.052 121.052 118.807 2.245 25564 804 1 2 . 1 1 53 53 THR HA H 53 4.294 4.294 4.366 -0.072 25564 805 1 2 . 1 1 53 53 THR C C 53 171.241 171.241 171.978 -0.737 25564 806 1 2 . 1 1 53 53 THR CA C 53 62.799 62.799 61.277 1.522 25564 807 1 2 . 1 1 53 53 THR CB C 53 70.995 70.995 71.381 -0.386 25564 808 1 2 . 1 1 53 53 THR H H 53 8.344 8.344 8.261 0.083 25564 809 1 2 . 1 1 54 54 GLU N N 54 125.190 125.190 124.332 0.858 25564 810 1 2 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.550 0.064 25564 811 1 2 . 1 1 54 54 GLU C C 54 175.175 175.175 175.629 -0.454 25564 812 1 2 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.163 0.349 25564 813 1 2 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.744 1.927 25564 814 1 2 . 1 1 54 54 GLU H H 54 8.458 8.458 8.430 0.028 25564 815 1 2 . 1 1 55 55 LEU N N 55 125.745 125.745 126.016 -0.271 25564 816 1 2 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.662 0.193 25564 817 1 2 . 1 1 55 55 LEU C C 55 175.121 175.121 175.266 -0.145 25564 818 1 2 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.884 0.122 25564 819 1 2 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.620 1.115 25564 820 1 2 . 1 1 55 55 LEU H H 55 9.755 9.755 8.710 1.045 25564 821 1 2 . 1 1 56 56 ASN N N 56 120.517 120.517 120.168 0.349 25564 822 1 2 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.685 -0.121 25564 823 1 2 . 1 1 56 56 ASN C C 56 174.180 174.180 174.100 0.080 25564 824 1 2 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.197 1.078 25564 825 1 2 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.122 1.329 25564 826 1 2 . 1 1 56 56 ASN H H 56 8.727 8.727 8.482 0.244 25564 827 1 2 . 1 1 57 57 LEU N N 57 123.534 123.534 126.375 -2.841 25564 828 1 2 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.071 0.064 25564 829 1 2 . 1 1 57 57 LEU C C 57 174.960 174.960 175.168 -0.208 25564 830 1 2 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.607 0.518 25564 831 1 2 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.425 0.383 25564 832 1 2 . 1 1 57 57 LEU H H 57 9.075 9.075 8.796 0.279 25564 833 1 2 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.574 0.481 25564 834 1 2 . 1 1 58 58 PRO C C 58 176.897 176.897 178.533 -1.636 25564 835 1 2 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.743 -0.153 25564 836 1 2 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.188 1.679 25564 837 1 2 . 1 1 59 59 GLU N N 59 117.522 117.522 120.583 -3.061 25564 838 1 2 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.034 -0.053 25564 839 1 2 . 1 1 59 59 GLU C C 59 175.246 175.246 176.719 -1.473 25564 840 1 2 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.716 -0.811 25564 841 1 2 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.803 0.121 25564 842 1 2 . 1 1 59 59 GLU H H 59 8.905 8.905 8.704 0.201 25564 843 1 2 . 1 1 60 60 THR N N 60 106.153 106.153 111.672 -5.519 25564 844 1 2 . 1 1 60 60 THR HA H 60 4.155 4.155 4.461 -0.306 25564 845 1 2 . 1 1 60 60 THR C C 60 175.087 175.087 173.949 1.138 25564 846 1 2 . 1 1 60 60 THR CA C 60 61.646 61.646 61.127 0.519 25564 847 1 2 . 1 1 60 60 THR CB C 60 69.638 69.638 67.866 1.772 25564 848 1 2 . 1 1 60 60 THR H H 60 7.056 7.056 8.035 -0.979 25564 849 1 2 . 1 1 61 61 ALA N N 61 125.590 125.590 124.863 0.727 25564 850 1 2 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.307 0.043 25564 851 1 2 . 1 1 61 61 ALA C C 61 176.988 176.988 176.100 0.888 25564 852 1 2 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.826 1.644 25564 853 1 2 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.537 0.687 25564 854 1 2 . 1 1 61 61 ALA H H 61 7.808 7.808 8.131 -0.323 25564 855 1 2 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.650 0.013 25564 856 1 2 . 1 1 62 62 ASN C C 62 171.666 171.666 172.472 -0.806 25564 857 1 2 . 1 1 62 62 ASN CA C 62 52.178 52.178 51.927 0.251 25564 858 1 2 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.725 -0.049 25564 859 1 2 . 1 1 63 63 SER N N 63 109.802 109.802 113.267 -3.465 25564 860 1 2 . 1 1 63 63 SER HA H 63 4.341 4.341 4.401 -0.060 25564 861 1 2 . 1 1 63 63 SER C C 63 172.378 172.378 172.215 0.163 25564 862 1 2 . 1 1 63 63 SER CA C 63 56.541 56.541 57.301 -0.760 25564 863 1 2 . 1 1 63 63 SER CB C 63 65.498 65.498 65.553 -0.055 25564 864 1 2 . 1 1 63 63 SER H H 63 6.764 6.764 6.643 0.121 25564 865 1 2 . 1 1 64 64 VAL N N 64 117.873 117.873 121.666 -3.793 25564 866 1 2 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.377 0.063 25564 867 1 2 . 1 1 64 64 VAL C C 64 171.395 171.395 174.516 -3.121 25564 868 1 2 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.746 0.998 25564 869 1 2 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.507 -0.416 25564 870 1 2 . 1 1 64 64 VAL H H 64 8.793 8.793 8.733 0.060 25564 871 1 2 . 1 1 65 65 THR N N 65 123.328 123.328 124.865 -1.537 25564 872 1 2 . 1 1 65 65 THR HA H 65 4.703 4.703 4.558 0.145 25564 873 1 2 . 1 1 65 65 THR C C 65 173.608 173.608 174.036 -0.428 25564 874 1 2 . 1 1 65 65 THR CA C 65 62.094 62.094 62.389 -0.295 25564 875 1 2 . 1 1 65 65 THR CB C 65 69.754 69.754 68.069 1.685 25564 876 1 2 . 1 1 65 65 THR H H 65 8.377 8.377 8.567 -0.190 25564 877 1 2 . 1 1 66 66 LEU N N 66 130.029 130.029 127.487 2.542 25564 878 1 2 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.221 0.130 25564 879 1 2 . 1 1 66 66 LEU C C 66 174.738 174.738 176.375 -1.637 25564 880 1 2 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.723 -1.165 25564 881 1 2 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.563 -0.357 25564 882 1 2 . 1 1 66 66 LEU H H 66 9.232 9.232 8.706 0.526 25564 883 1 2 . 1 1 67 67 SER N N 67 117.107 117.107 114.614 2.493 25564 884 1 2 . 1 1 67 67 SER HA H 67 4.936 4.936 5.085 -0.149 25564 885 1 2 . 1 1 67 67 SER C C 67 172.509 172.509 174.133 -1.624 25564 886 1 2 . 1 1 67 67 SER CA C 67 57.340 57.340 56.805 0.535 25564 887 1 2 . 1 1 67 67 SER CB C 67 66.115 66.115 66.573 -0.458 25564 888 1 2 . 1 1 67 67 SER H H 67 8.174 8.174 8.235 -0.061 25564 889 1 2 . 1 1 68 68 ASP N N 68 116.924 116.924 119.229 -2.305 25564 890 1 2 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.297 0.057 25564 891 1 2 . 1 1 68 68 ASP C C 68 175.654 175.654 175.360 0.294 25564 892 1 2 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.202 0.400 25564 893 1 2 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.265 -0.551 25564 894 1 2 . 1 1 68 68 ASP H H 68 9.003 9.003 8.459 0.544 25564 895 1 2 . 1 1 69 69 LEU N N 69 116.713 116.713 116.195 0.518 25564 896 1 2 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.225 0.111 25564 897 1 2 . 1 1 69 69 LEU C C 69 175.793 175.793 176.732 -0.939 25564 898 1 2 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.722 -2.175 25564 899 1 2 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.377 -1.343 25564 900 1 2 . 1 1 69 69 LEU H H 69 8.605 8.605 6.998 1.607 25564 901 1 2 . 1 1 70 70 GLN N N 70 118.301 118.301 116.642 1.659 25564 902 1 2 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.821 -0.055 25564 903 1 2 . 1 1 70 70 GLN C C 70 174.178 174.178 173.853 0.325 25564 904 1 2 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.632 0.316 25564 905 1 2 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.009 -0.384 25564 906 1 2 . 1 1 70 70 GLN H H 70 8.288 8.288 8.665 -0.377 25564 907 1 2 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.281 0.971 25564 908 1 2 . 1 1 71 71 PRO C C 71 177.837 177.837 177.508 0.329 25564 909 1 2 . 1 1 71 71 PRO CA C 71 63.098 63.098 64.222 -1.124 25564 910 1 2 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.390 2.003 25564 911 1 2 . 1 1 72 72 GLY N N 72 111.077 111.077 112.111 -1.034 25564 912 1 2 . 1 1 72 72 GLY C C 72 174.621 174.621 173.562 1.059 25564 913 1 2 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.137 2.089 25564 914 1 2 . 1 1 72 72 GLY H H 72 7.348 7.348 8.473 -1.125 25564 915 1 2 . 1 1 73 73 VAL N N 73 120.434 120.434 121.287 -0.853 25564 916 1 2 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.211 -0.099 25564 917 1 2 . 1 1 73 73 VAL C C 73 173.963 173.963 174.904 -0.941 25564 918 1 2 . 1 1 73 73 VAL CA C 73 61.694 61.694 61.013 0.681 25564 919 1 2 . 1 1 73 73 VAL CB C 73 35.423 35.423 34.013 1.410 25564 920 1 2 . 1 1 73 73 VAL H H 73 7.670 7.670 8.230 -0.560 25564 921 1 2 . 1 1 74 74 GLN N N 74 123.606 123.606 125.498 -1.892 25564 922 1 2 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.331 -0.124 25564 923 1 2 . 1 1 74 74 GLN C C 74 174.283 174.283 174.134 0.149 25564 924 1 2 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.277 1.228 25564 925 1 2 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.800 1.675 25564 926 1 2 . 1 1 74 74 GLN H H 74 8.263 8.263 8.652 -0.389 25564 927 1 2 . 1 1 75 75 TYR N N 75 127.153 127.153 127.270 -0.117 25564 928 1 2 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.853 -0.113 25564 929 1 2 . 1 1 75 75 TYR C C 75 174.412 174.412 174.615 -0.203 25564 930 1 2 . 1 1 75 75 TYR CA C 75 59.183 59.183 56.908 2.275 25564 931 1 2 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.793 0.088 25564 932 1 2 . 1 1 75 75 TYR H H 75 8.916 8.916 9.020 -0.104 25564 933 1 2 . 1 1 76 76 ASN N N 76 120.363 120.363 123.918 -3.555 25564 934 1 2 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.928 0.265 25564 935 1 2 . 1 1 76 76 ASN C C 76 174.903 174.903 174.306 0.597 25564 936 1 2 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.588 -0.749 25564 937 1 2 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.368 0.971 25564 938 1 2 . 1 1 76 76 ASN H H 76 9.014 9.014 8.911 0.103 25564 939 1 2 . 1 1 77 77 ILE N N 77 127.376 127.376 128.486 -1.110 25564 940 1 2 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.326 0.322 25564 941 1 2 . 1 1 77 77 ILE C C 77 173.510 173.510 175.154 -1.644 25564 942 1 2 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.258 0.098 25564 943 1 2 . 1 1 77 77 ILE CB C 77 40.911 40.911 37.935 2.976 25564 944 1 2 . 1 1 77 77 ILE H H 77 9.466 9.466 9.041 0.425 25564 945 1 2 . 1 1 78 78 THR N N 78 124.282 124.282 126.425 -2.143 25564 946 1 2 . 1 1 78 78 THR HA H 78 5.117 5.117 5.418 -0.301 25564 947 1 2 . 1 1 78 78 THR C C 78 173.140 173.140 173.657 -0.517 25564 948 1 2 . 1 1 78 78 THR CA C 78 61.961 61.961 61.132 0.829 25564 949 1 2 . 1 1 78 78 THR CB C 78 70.244 70.244 69.456 0.788 25564 950 1 2 . 1 1 78 78 THR H H 78 9.535 9.535 8.820 0.715 25564 951 1 2 . 1 1 79 79 ILE N N 79 125.033 125.033 126.282 -1.249 25564 952 1 2 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.319 0.272 25564 953 1 2 . 1 1 79 79 ILE C C 79 173.827 173.827 174.941 -1.114 25564 954 1 2 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.314 2.434 25564 955 1 2 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.415 2.855 25564 956 1 2 . 1 1 79 79 ILE H H 79 8.974 8.974 8.309 0.665 25564 957 1 2 . 1 1 80 80 TYR N N 80 122.647 122.647 124.024 -1.377 25564 958 1 2 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.714 -0.195 25564 959 1 2 . 1 1 80 80 TYR C C 80 177.072 177.072 174.399 2.673 25564 960 1 2 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.994 0.407 25564 961 1 2 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.147 0.754 25564 962 1 2 . 1 1 80 80 TYR H H 80 9.137 9.137 8.982 0.155 25564 963 1 2 . 1 1 81 81 ALA N N 81 124.412 124.412 128.069 -3.657 25564 964 1 2 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.734 1.019 25564 965 1 2 . 1 1 81 81 ALA C C 81 175.811 175.811 175.505 0.306 25564 966 1 2 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.110 0.547 25564 967 1 2 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.944 2.372 25564 968 1 2 . 1 1 81 81 ALA H H 81 8.764 8.764 9.020 -0.256 25564 969 1 2 . 1 1 82 82 VAL N N 82 120.278 120.278 125.773 -5.495 25564 970 1 2 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.405 0.208 25564 971 1 2 . 1 1 82 82 VAL C C 82 174.662 174.662 174.371 0.291 25564 972 1 2 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.222 0.957 25564 973 1 2 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.281 0.390 25564 974 1 2 . 1 1 82 82 VAL H H 82 8.276 8.276 8.246 0.030 25564 975 1 2 . 1 1 83 83 GLU N N 83 127.125 127.125 127.702 -0.577 25564 976 1 2 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.622 -0.085 25564 977 1 2 . 1 1 83 83 GLU C C 83 175.133 175.133 176.121 -0.988 25564 978 1 2 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.792 1.208 25564 979 1 2 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.277 0.439 25564 980 1 2 . 1 1 83 83 GLU H H 83 8.849 8.849 8.864 -0.015 25564 981 1 2 . 1 1 84 84 GLU N N 84 125.009 125.009 120.999 4.010 25564 982 1 2 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.903 -0.221 25564 983 1 2 . 1 1 84 84 GLU C C 84 174.988 174.988 177.348 -2.360 25564 984 1 2 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.528 -0.166 25564 985 1 2 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.638 -1.916 25564 986 1 2 . 1 1 84 84 GLU H H 84 8.952 8.952 9.010 -0.058 25564 987 1 2 . 1 1 85 85 ASN N N 85 119.010 119.010 112.910 6.100 25564 988 1 2 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.607 0.099 25564 989 1 2 . 1 1 85 85 ASN C C 85 174.499 174.499 174.359 0.140 25564 990 1 2 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.757 0.196 25564 991 1 2 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.147 -0.117 25564 992 1 2 . 1 1 85 85 ASN H H 85 8.412 8.412 8.366 0.046 25564 993 1 2 . 1 1 86 86 GLN N N 86 119.080 119.080 117.109 1.971 25564 994 1 2 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.564 0.040 25564 995 1 2 . 1 1 86 86 GLN C C 86 174.270 174.270 173.417 0.853 25564 996 1 2 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.315 0.977 25564 997 1 2 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.118 0.893 25564 998 1 2 . 1 1 86 86 GLN H H 86 8.086 8.086 7.584 0.502 25564 999 1 2 . 1 1 87 87 GLU N N 87 120.589 120.589 119.219 1.370 25564 1000 1 2 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.697 0.517 25564 1001 1 2 . 1 1 87 87 GLU C C 87 176.092 176.092 176.052 0.040 25564 1002 1 2 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.123 -0.401 25564 1003 1 2 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.294 1.421 25564 1004 1 2 . 1 1 87 87 GLU H H 87 8.498 8.498 8.601 -0.103 25564 1005 1 2 . 1 1 88 88 SER N N 88 116.013 116.013 120.882 -4.869 25564 1006 1 2 . 1 1 88 88 SER HA H 88 4.547 4.547 4.476 0.071 25564 1007 1 2 . 1 1 88 88 SER C C 88 175.202 175.202 175.464 -0.262 25564 1008 1 2 . 1 1 88 88 SER CA C 88 58.211 58.211 59.331 -1.120 25564 1009 1 2 . 1 1 88 88 SER CB C 88 66.959 66.959 64.189 2.770 25564 1010 1 2 . 1 1 88 88 SER H H 88 8.954 8.954 8.824 0.130 25564 1011 1 2 . 1 1 89 89 THR N N 89 114.798 114.798 114.706 0.092 25564 1012 1 2 . 1 1 89 89 THR HA H 89 4.520 4.520 4.370 0.150 25564 1013 1 2 . 1 1 89 89 THR C C 89 173.754 173.754 173.135 0.619 25564 1014 1 2 . 1 1 89 89 THR CA C 89 61.673 61.673 61.648 0.025 25564 1015 1 2 . 1 1 89 89 THR CB C 89 69.286 69.286 68.005 1.280 25564 1016 1 2 . 1 1 89 89 THR H H 89 8.559 8.559 8.315 0.244 25564 1017 1 2 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.832 -0.677 25564 1018 1 2 . 1 1 90 90 PRO C C 90 177.970 177.970 176.620 1.350 25564 1019 1 2 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.460 1.265 25564 1020 1 2 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.955 -0.552 25564 1021 1 2 . 1 1 91 91 VAL N N 91 120.679 120.679 124.006 -3.327 25564 1022 1 2 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.958 0.319 25564 1023 1 2 . 1 1 91 91 VAL C C 91 173.958 173.958 174.789 -0.831 25564 1024 1 2 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.499 -0.901 25564 1025 1 2 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.991 0.956 25564 1026 1 2 . 1 1 91 91 VAL H H 91 8.189 8.189 8.491 -0.302 25564 1027 1 2 . 1 1 92 92 VAL N N 92 125.593 125.593 127.412 -1.819 25564 1028 1 2 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.589 0.418 25564 1029 1 2 . 1 1 92 92 VAL C C 92 176.045 176.045 175.429 0.616 25564 1030 1 2 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.300 0.061 25564 1031 1 2 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.315 1.819 25564 1032 1 2 . 1 1 92 92 VAL H H 92 8.300 8.300 8.516 -0.216 25564 1033 1 2 . 1 1 93 93 ILE N N 93 127.733 127.733 124.569 3.164 25564 1034 1 2 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.699 -0.283 25564 1035 1 2 . 1 1 93 93 ILE C C 93 174.071 174.071 174.463 -0.392 25564 1036 1 2 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.844 -0.006 25564 1037 1 2 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.508 2.724 25564 1038 1 2 . 1 1 93 93 ILE H H 93 9.471 9.471 8.978 0.493 25564 1039 1 2 . 1 1 94 94 GLN N N 94 123.610 123.610 126.915 -3.305 25564 1040 1 2 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.066 0.475 25564 1041 1 2 . 1 1 94 94 GLN C C 94 175.328 175.328 175.166 0.162 25564 1042 1 2 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.460 0.122 25564 1043 1 2 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.050 1.979 25564 1044 1 2 . 1 1 94 94 GLN H H 94 8.522 8.522 8.631 -0.109 25564 1045 1 2 . 1 1 95 95 GLN N N 95 123.044 123.044 124.493 -1.449 25564 1046 1 2 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.711 -0.201 25564 1047 1 2 . 1 1 95 95 GLN C C 95 173.530 173.530 174.666 -1.136 25564 1048 1 2 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.497 0.425 25564 1049 1 2 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.822 -0.299 25564 1050 1 2 . 1 1 95 95 GLN H H 95 8.893 8.893 9.058 -0.165 25564 1051 1 2 . 1 1 96 96 GLU N N 96 128.881 128.881 124.364 4.517 25564 1052 1 2 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.855 0.888 25564 1053 1 2 . 1 1 96 96 GLU C C 96 178.926 178.926 176.745 2.181 25564 1054 1 2 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.649 -0.830 25564 1055 1 2 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.740 0.785 25564 1056 1 2 . 1 1 96 96 GLU H H 96 8.913 8.913 8.627 0.286 25564 1057 1 2 . 1 1 97 97 THR N N 97 116.022 116.022 117.557 -1.535 25564 1058 1 2 . 1 1 97 97 THR HA H 97 4.344 4.344 4.518 -0.174 25564 1059 1 2 . 1 1 97 97 THR C C 97 176.660 176.660 175.416 1.244 25564 1060 1 2 . 1 1 97 97 THR CA C 97 61.453 61.453 62.467 -1.014 25564 1061 1 2 . 1 1 97 97 THR CB C 97 69.742 69.742 69.558 0.184 25564 1062 1 2 . 1 1 97 97 THR H H 97 8.740 8.740 8.777 -0.037 25564 1063 1 2 . 1 1 98 98 THR N N 98 110.068 110.068 120.994 -10.926 25564 1064 1 2 . 1 1 98 98 THR HA H 98 4.270 4.270 4.068 0.202 25564 1065 1 2 . 1 1 98 98 THR C C 98 173.859 173.859 175.304 -1.445 25564 1066 1 2 . 1 1 98 98 THR CA C 98 62.659 62.659 64.512 -1.853 25564 1067 1 2 . 1 1 98 98 THR CB C 98 69.654 69.654 69.079 0.575 25564 1068 1 2 . 1 1 98 98 THR H H 98 7.287 7.287 8.868 -1.581 25564 1069 1 2 . 1 1 99 99 GLY N N 99 103.540 103.540 109.851 -6.311 25564 1070 1 2 . 1 1 99 99 GLY C C 99 174.225 174.225 173.377 0.848 25564 1071 1 2 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.962 -0.007 25564 1072 1 2 . 1 1 99 99 GLY H H 99 8.033 8.033 7.469 0.564 25564 1073 1 2 . 1 1 100 100 THR N N 100 114.887 114.887 119.159 -4.272 25564 1074 1 2 . 1 1 100 100 THR HA H 100 4.623 4.623 4.590 0.033 25564 1075 1 2 . 1 1 100 100 THR C C 100 172.336 172.336 172.896 -0.560 25564 1076 1 2 . 1 1 100 100 THR CA C 100 59.775 59.775 60.793 -1.018 25564 1077 1 2 . 1 1 100 100 THR CB C 100 70.644 70.644 68.667 1.977 25564 1078 1 2 . 1 1 100 100 THR H H 100 8.055 8.055 8.160 -0.105 25564 1079 1 2 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.263 0.236 25564 1080 1 2 . 1 1 101 101 PRO C C 101 177.344 177.344 176.265 1.079 25564 1081 1 2 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.609 -0.501 25564 1082 1 2 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.858 0.428 25564 1083 1 2 . 1 1 102 102 ARG N N 102 122.476 122.476 126.259 -3.783 25564 1084 1 2 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.560 -0.246 25564 1085 1 2 . 1 1 102 102 ARG C C 102 176.790 176.790 175.951 0.839 25564 1086 1 2 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.006 0.398 25564 1087 1 2 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.925 0.340 25564 1088 1 2 . 1 1 102 102 ARG H H 102 8.771 8.771 8.264 0.507 25564 1089 1 2 . 1 1 103 103 SER HA H 103 4.523 4.523 4.556 -0.033 25564 1090 1 2 . 1 1 103 103 SER CA C 103 58.311 58.311 58.291 0.020 25564 1091 1 2 . 1 1 103 103 SER CB C 103 64.168 64.168 62.228 1.940 25564 1092 1 2 . 1 1 104 104 ASP N N 104 122.461 122.461 120.583 1.878 25564 1093 1 2 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.633 0.015 25564 1094 1 2 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.782 0.784 25564 1095 1 2 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.087 0.296 25564 1096 1 2 . 1 1 104 104 ASP H H 104 8.418 8.418 7.954 0.464 25564 1097 1 2 . 1 1 105 105 GLY N N 105 109.250 109.250 109.454 -0.204 25564 1098 1 2 . 1 1 105 105 GLY C C 105 173.987 173.987 173.811 0.176 25564 1099 1 2 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.548 0.225 25564 1100 1 2 . 1 1 105 105 GLY H H 105 8.390 8.390 8.307 0.083 25564 1101 1 3 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.663 -0.040 25564 1102 1 3 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.445 0.491 25564 1103 1 3 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.745 2.526 25564 1104 1 3 . 1 1 7 7 THR HA H 7 4.470 4.470 4.335 0.135 25564 1105 1 3 . 1 1 7 7 THR CA C 7 61.923 61.923 63.331 -1.407 25564 1106 1 3 . 1 1 7 7 THR CB C 7 70.142 70.142 69.096 1.046 25564 1107 1 3 . 1 1 8 8 THR N N 8 116.706 116.706 122.684 -5.978 25564 1108 1 3 . 1 1 8 8 THR HA H 8 4.371 4.371 4.284 0.087 25564 1109 1 3 . 1 1 8 8 THR C C 8 173.590 173.590 173.799 -0.209 25564 1110 1 3 . 1 1 8 8 THR CA C 8 61.606 61.606 62.997 -1.391 25564 1111 1 3 . 1 1 8 8 THR CB C 8 70.303 70.303 69.599 0.704 25564 1112 1 3 . 1 1 8 8 THR H H 8 8.238 8.238 8.391 -0.153 25564 1113 1 3 . 1 1 9 9 ALA N N 9 127.030 127.030 129.862 -2.832 25564 1114 1 3 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.704 -0.411 25564 1115 1 3 . 1 1 9 9 ALA C C 9 175.005 175.005 175.807 -0.802 25564 1116 1 3 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.765 1.048 25564 1117 1 3 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.489 -0.059 25564 1118 1 3 . 1 1 9 9 ALA H H 9 8.220 8.220 8.292 -0.072 25564 1119 1 3 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.579 -0.250 25564 1120 1 3 . 1 1 10 10 PRO C C 10 175.138 175.138 175.379 -0.241 25564 1121 1 3 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.540 0.257 25564 1122 1 3 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.772 -0.934 25564 1123 1 3 . 1 1 11 11 ASP N N 11 116.244 116.244 117.343 -1.099 25564 1124 1 3 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.674 -0.264 25564 1125 1 3 . 1 1 11 11 ASP C C 11 174.009 174.009 174.739 -0.730 25564 1126 1 3 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.453 0.930 25564 1127 1 3 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.953 -3.124 25564 1128 1 3 . 1 1 11 11 ASP H H 11 9.038 9.038 8.214 0.824 25564 1129 1 3 . 1 1 12 12 ALA N N 12 120.012 120.012 122.447 -2.435 25564 1130 1 3 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.638 -0.171 25564 1131 1 3 . 1 1 12 12 ALA C C 12 175.669 175.669 175.499 0.170 25564 1132 1 3 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.076 0.164 25564 1133 1 3 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.659 -0.749 25564 1134 1 3 . 1 1 12 12 ALA H H 12 7.944 7.944 8.189 -0.245 25564 1135 1 3 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.983 -0.494 25564 1136 1 3 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.667 -0.342 25564 1137 1 3 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.386 0.443 25564 1138 1 3 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.328 0.158 25564 1139 1 3 . 1 1 14 14 PRO C C 14 175.966 175.966 176.483 -0.517 25564 1140 1 3 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.779 0.216 25564 1141 1 3 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.352 0.277 25564 1142 1 3 . 1 1 15 15 ASP N N 15 117.405 117.405 120.858 -3.453 25564 1143 1 3 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.451 0.107 25564 1144 1 3 . 1 1 15 15 ASP C C 15 173.011 173.011 174.868 -1.857 25564 1145 1 3 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.497 -0.267 25564 1146 1 3 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.264 1.058 25564 1147 1 3 . 1 1 15 15 ASP H H 15 8.470 8.470 8.505 -0.035 25564 1148 1 3 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.575 0.777 25564 1149 1 3 . 1 1 16 16 PRO C C 16 177.534 177.534 176.712 0.822 25564 1150 1 3 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.153 0.451 25564 1151 1 3 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.776 -1.292 25564 1152 1 3 . 1 1 17 17 THR N N 17 117.955 117.955 119.228 -1.273 25564 1153 1 3 . 1 1 17 17 THR HA H 17 4.563 4.563 4.524 0.039 25564 1154 1 3 . 1 1 17 17 THR C C 17 172.578 172.578 174.210 -1.632 25564 1155 1 3 . 1 1 17 17 THR CA C 17 61.093 61.093 61.854 -0.761 25564 1156 1 3 . 1 1 17 17 THR CB C 17 72.478 72.478 69.666 2.812 25564 1157 1 3 . 1 1 17 17 THR H H 17 9.415 9.415 8.569 0.846 25564 1158 1 3 . 1 1 18 18 VAL N N 18 124.494 124.494 128.926 -4.432 25564 1159 1 3 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.203 0.169 25564 1160 1 3 . 1 1 18 18 VAL C C 18 175.392 175.392 175.868 -0.476 25564 1161 1 3 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.998 -0.148 25564 1162 1 3 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.245 -0.171 25564 1163 1 3 . 1 1 18 18 VAL H H 18 8.645 8.645 8.760 -0.115 25564 1164 1 3 . 1 1 19 19 ASP N N 19 129.904 129.904 128.888 1.016 25564 1165 1 3 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.620 0.103 25564 1166 1 3 . 1 1 19 19 ASP C C 19 175.427 175.427 175.767 -0.340 25564 1167 1 3 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.319 -0.416 25564 1168 1 3 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.060 2.211 25564 1169 1 3 . 1 1 19 19 ASP H H 19 8.805 8.805 8.729 0.076 25564 1170 1 3 . 1 1 20 20 GLN N N 20 115.835 115.835 118.469 -2.634 25564 1171 1 3 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.661 -0.211 25564 1172 1 3 . 1 1 20 20 GLN C C 20 173.593 173.593 174.015 -0.422 25564 1173 1 3 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.596 1.349 25564 1174 1 3 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.367 -0.378 25564 1175 1 3 . 1 1 20 20 GLN H H 20 7.431 7.431 7.616 -0.185 25564 1176 1 3 . 1 1 21 21 VAL N N 21 122.956 122.956 124.089 -1.133 25564 1177 1 3 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.343 0.376 25564 1178 1 3 . 1 1 21 21 VAL C C 21 173.753 173.753 174.545 -0.792 25564 1179 1 3 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.420 -0.101 25564 1180 1 3 . 1 1 21 21 VAL CB C 21 35.003 35.003 34.160 0.843 25564 1181 1 3 . 1 1 21 21 VAL H H 21 8.317 8.317 8.562 -0.245 25564 1182 1 3 . 1 1 22 22 ASP N N 22 129.722 129.722 127.595 2.127 25564 1183 1 3 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.067 -0.313 25564 1184 1 3 . 1 1 22 22 ASP C C 22 176.114 176.114 176.092 0.022 25564 1185 1 3 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.291 1.348 25564 1186 1 3 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.502 -3.125 25564 1187 1 3 . 1 1 22 22 ASP H H 22 8.778 8.778 8.977 -0.199 25564 1188 1 3 . 1 1 23 23 ASP N N 23 115.970 115.970 117.972 -2.002 25564 1189 1 3 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.371 0.263 25564 1190 1 3 . 1 1 23 23 ASP C C 23 175.820 175.820 175.989 -0.169 25564 1191 1 3 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.011 -0.685 25564 1192 1 3 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.792 0.114 25564 1193 1 3 . 1 1 23 23 ASP H H 23 8.049 8.049 8.851 -0.802 25564 1194 1 3 . 1 1 24 24 THR N N 24 97.756 97.756 108.426 -10.670 25564 1195 1 3 . 1 1 24 24 THR HA H 24 4.566 4.566 4.542 0.024 25564 1196 1 3 . 1 1 24 24 THR C C 24 174.274 174.274 173.046 1.228 25564 1197 1 3 . 1 1 24 24 THR CA C 24 59.595 59.595 60.509 -0.914 25564 1198 1 3 . 1 1 24 24 THR CB C 24 71.670 71.670 68.391 3.279 25564 1199 1 3 . 1 1 24 24 THR H H 24 7.392 7.392 7.996 -0.604 25564 1200 1 3 . 1 1 25 25 SER N N 25 116.249 116.249 116.516 -0.267 25564 1201 1 3 . 1 1 25 25 SER HA H 25 5.440 5.440 5.346 0.094 25564 1202 1 3 . 1 1 25 25 SER C C 25 171.891 171.891 172.238 -0.347 25564 1203 1 3 . 1 1 25 25 SER CA C 25 57.670 57.670 58.572 -0.902 25564 1204 1 3 . 1 1 25 25 SER CB C 25 67.439 67.439 66.434 1.004 25564 1205 1 3 . 1 1 25 25 SER H H 25 7.693 7.693 7.441 0.252 25564 1206 1 3 . 1 1 26 26 ILE N N 26 118.594 118.594 124.007 -5.413 25564 1207 1 3 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.991 -0.577 25564 1208 1 3 . 1 1 26 26 ILE C C 26 174.020 174.020 173.824 0.196 25564 1209 1 3 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.664 0.470 25564 1210 1 3 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.894 2.194 25564 1211 1 3 . 1 1 26 26 ILE H H 26 8.141 8.141 8.758 -0.617 25564 1212 1 3 . 1 1 27 27 VAL N N 27 126.778 126.778 126.227 0.551 25564 1213 1 3 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.155 -0.182 25564 1214 1 3 . 1 1 27 27 VAL C C 27 175.692 175.692 174.598 1.094 25564 1215 1 3 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.428 1.022 25564 1216 1 3 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.904 -0.091 25564 1217 1 3 . 1 1 27 27 VAL H H 27 8.642 8.642 8.897 -0.255 25564 1218 1 3 . 1 1 28 28 VAL N N 28 127.624 127.624 124.227 3.397 25564 1219 1 3 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.920 -0.060 25564 1220 1 3 . 1 1 28 28 VAL C C 28 173.467 173.467 173.722 -0.255 25564 1221 1 3 . 1 1 28 28 VAL CA C 28 60.454 60.454 58.953 1.501 25564 1222 1 3 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.301 -0.349 25564 1223 1 3 . 1 1 28 28 VAL H H 28 8.656 8.656 8.907 -0.251 25564 1224 1 3 . 1 1 29 29 ARG N N 29 123.905 123.905 125.739 -1.834 25564 1225 1 3 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.865 -0.148 25564 1226 1 3 . 1 1 29 29 ARG C C 29 174.147 174.147 175.173 -1.026 25564 1227 1 3 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.484 0.382 25564 1228 1 3 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.835 1.356 25564 1229 1 3 . 1 1 29 29 ARG H H 29 9.075 9.075 8.434 0.641 25564 1230 1 3 . 1 1 30 30 TRP N N 30 116.284 116.284 123.796 -7.512 25564 1231 1 3 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.087 -0.241 25564 1232 1 3 . 1 1 30 30 TRP C C 30 174.778 174.778 175.774 -0.996 25564 1233 1 3 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.658 2.877 25564 1234 1 3 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.593 -0.295 25564 1235 1 3 . 1 1 30 30 TRP H H 30 7.512 7.512 7.998 -0.486 25564 1236 1 3 . 1 1 31 31 SER HA H 31 4.747 4.747 4.613 0.134 25564 1237 1 3 . 1 1 31 31 SER C C 31 172.773 172.773 174.478 -1.705 25564 1238 1 3 . 1 1 31 31 SER CA C 31 57.875 57.875 57.651 0.224 25564 1239 1 3 . 1 1 31 31 SER CB C 31 64.093 64.093 62.184 1.909 25564 1240 1 3 . 1 1 32 32 ARG N N 32 122.062 122.062 124.480 -2.418 25564 1241 1 3 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.708 0.171 25564 1242 1 3 . 1 1 32 32 ARG C C 32 175.788 175.788 174.725 1.063 25564 1243 1 3 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.143 0.142 25564 1244 1 3 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.970 2.450 25564 1245 1 3 . 1 1 32 32 ARG H H 32 8.337 8.337 7.695 0.642 25564 1246 1 3 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.656 -0.180 25564 1247 1 3 . 1 1 33 33 PRO C C 33 175.739 175.739 176.505 -0.766 25564 1248 1 3 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.167 0.798 25564 1249 1 3 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.000 -0.025 25564 1250 1 3 . 1 1 34 34 GLN N N 34 122.510 122.510 117.844 4.666 25564 1251 1 3 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.408 -0.254 25564 1252 1 3 . 1 1 34 34 GLN C C 34 177.396 177.396 176.487 0.909 25564 1253 1 3 . 1 1 34 34 GLN CA C 34 57.503 57.503 55.976 1.527 25564 1254 1 3 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.910 0.736 25564 1255 1 3 . 1 1 34 34 GLN H H 34 10.310 10.310 8.669 1.641 25564 1256 1 3 . 1 1 35 35 ALA N N 35 123.797 123.797 124.062 -0.265 25564 1257 1 3 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.486 -0.008 25564 1258 1 3 . 1 1 35 35 ALA C C 35 174.959 174.959 175.517 -0.558 25564 1259 1 3 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.137 0.730 25564 1260 1 3 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.820 0.350 25564 1261 1 3 . 1 1 35 35 ALA H H 35 8.725 8.725 7.635 1.090 25564 1262 1 3 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.509 0.074 25564 1263 1 3 . 1 1 36 36 PRO C C 36 175.555 175.555 175.683 -0.128 25564 1264 1 3 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.209 -0.207 25564 1265 1 3 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.120 -1.145 25564 1266 1 3 . 1 1 37 37 ILE N N 37 114.656 114.656 118.103 -3.447 25564 1267 1 3 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.650 -0.250 25564 1268 1 3 . 1 1 37 37 ILE C C 37 176.204 176.204 175.578 0.626 25564 1269 1 3 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.846 2.265 25564 1270 1 3 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.650 0.992 25564 1271 1 3 . 1 1 37 37 ILE H H 37 7.946 7.946 7.881 0.065 25564 1272 1 3 . 1 1 38 38 THR N N 38 109.332 109.332 112.407 -3.075 25564 1273 1 3 . 1 1 38 38 THR HA H 38 4.576 4.576 4.681 -0.105 25564 1274 1 3 . 1 1 38 38 THR C C 38 175.325 175.325 175.311 0.014 25564 1275 1 3 . 1 1 38 38 THR CA C 38 61.858 61.858 61.854 0.004 25564 1276 1 3 . 1 1 38 38 THR CB C 38 69.971 69.971 70.325 -0.354 25564 1277 1 3 . 1 1 38 38 THR H H 38 9.767 9.767 8.943 0.824 25564 1278 1 3 . 1 1 39 39 GLY N N 39 109.326 109.326 109.809 -0.483 25564 1279 1 3 . 1 1 39 39 GLY C C 39 169.390 169.390 171.746 -2.356 25564 1280 1 3 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.966 -0.326 25564 1281 1 3 . 1 1 39 39 GLY H H 39 7.641 7.641 7.962 -0.321 25564 1282 1 3 . 1 1 40 40 TYR N N 40 113.638 113.638 118.301 -4.663 25564 1283 1 3 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.678 -0.326 25564 1284 1 3 . 1 1 40 40 TYR C C 40 174.719 174.719 175.065 -0.346 25564 1285 1 3 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.461 0.528 25564 1286 1 3 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.914 0.405 25564 1287 1 3 . 1 1 40 40 TYR H H 40 8.470 8.470 8.731 -0.261 25564 1288 1 3 . 1 1 41 41 ARG N N 41 125.140 125.140 121.783 3.357 25564 1289 1 3 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.236 0.046 25564 1290 1 3 . 1 1 41 41 ARG C C 41 173.714 173.714 175.123 -1.409 25564 1291 1 3 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.916 1.853 25564 1292 1 3 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.486 2.215 25564 1293 1 3 . 1 1 41 41 ARG H H 41 9.148 9.148 8.959 0.189 25564 1294 1 3 . 1 1 42 42 ILE N N 42 126.999 126.999 122.340 4.659 25564 1295 1 3 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.175 0.167 25564 1296 1 3 . 1 1 42 42 ILE C C 42 174.706 174.706 175.126 -0.420 25564 1297 1 3 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.829 -2.046 25564 1298 1 3 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.752 -0.357 25564 1299 1 3 . 1 1 42 42 ILE H H 42 9.237 9.237 8.818 0.419 25564 1300 1 3 . 1 1 43 43 VAL N N 43 126.775 126.775 128.670 -1.895 25564 1301 1 3 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.927 0.421 25564 1302 1 3 . 1 1 43 43 VAL C C 43 175.795 175.795 175.518 0.277 25564 1303 1 3 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.863 -0.259 25564 1304 1 3 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.326 1.853 25564 1305 1 3 . 1 1 43 43 VAL H H 43 9.369 9.369 8.983 0.386 25564 1306 1 3 . 1 1 44 44 TYR N N 44 122.788 122.788 126.424 -3.636 25564 1307 1 3 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.025 0.219 25564 1308 1 3 . 1 1 44 44 TYR C C 44 174.353 174.353 174.829 -0.476 25564 1309 1 3 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.149 1.261 25564 1310 1 3 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.735 3.615 25564 1311 1 3 . 1 1 44 44 TYR H H 44 9.253 9.253 8.785 0.468 25564 1312 1 3 . 1 1 45 45 SER N N 45 114.339 114.339 116.394 -2.055 25564 1313 1 3 . 1 1 45 45 SER HA H 45 5.208 5.208 4.883 0.325 25564 1314 1 3 . 1 1 45 45 SER C C 45 171.693 171.693 172.216 -0.523 25564 1315 1 3 . 1 1 45 45 SER CA C 45 55.870 55.870 54.940 0.930 25564 1316 1 3 . 1 1 45 45 SER CB C 45 65.646 65.646 65.213 0.434 25564 1317 1 3 . 1 1 45 45 SER H H 45 8.797 8.797 8.853 -0.056 25564 1318 1 3 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.756 -0.370 25564 1319 1 3 . 1 1 46 46 PRO C C 46 177.666 177.666 177.142 0.524 25564 1320 1 3 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.088 0.604 25564 1321 1 3 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.684 0.333 25564 1322 1 3 . 1 1 47 47 SER N N 47 118.732 118.732 120.096 -1.364 25564 1323 1 3 . 1 1 47 47 SER HA H 47 4.069 4.069 4.126 -0.057 25564 1324 1 3 . 1 1 47 47 SER C C 47 175.055 175.055 175.253 -0.198 25564 1325 1 3 . 1 1 47 47 SER CA C 47 60.992 60.992 60.988 0.004 25564 1326 1 3 . 1 1 47 47 SER CB C 47 63.541 63.541 63.154 0.387 25564 1327 1 3 . 1 1 47 47 SER H H 47 8.648 8.648 8.707 -0.059 25564 1328 1 3 . 1 1 48 48 VAL N N 48 117.213 117.213 115.390 1.823 25564 1329 1 3 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.270 -0.188 25564 1330 1 3 . 1 1 48 48 VAL C C 48 175.456 175.456 175.165 0.291 25564 1331 1 3 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.175 0.812 25564 1332 1 3 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.814 0.055 25564 1333 1 3 . 1 1 48 48 VAL H H 48 7.640 7.640 7.743 -0.103 25564 1334 1 3 . 1 1 49 49 GLU N N 49 119.528 119.528 119.414 0.114 25564 1335 1 3 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.356 -0.208 25564 1336 1 3 . 1 1 49 49 GLU C C 49 176.081 176.081 174.628 1.453 25564 1337 1 3 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.918 0.256 25564 1338 1 3 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.945 -0.777 25564 1339 1 3 . 1 1 49 49 GLU H H 49 8.150 8.150 7.701 0.449 25564 1340 1 3 . 1 1 50 50 GLY N N 50 108.013 108.013 109.784 -1.771 25564 1341 1 3 . 1 1 50 50 GLY C C 50 173.617 173.617 173.443 0.174 25564 1342 1 3 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.615 0.794 25564 1343 1 3 . 1 1 50 50 GLY H H 50 8.144 8.144 7.965 0.179 25564 1344 1 3 . 1 1 51 51 SER N N 51 115.893 115.893 120.076 -4.183 25564 1345 1 3 . 1 1 51 51 SER HA H 51 4.604 4.604 4.710 -0.106 25564 1346 1 3 . 1 1 51 51 SER CA C 51 58.145 58.145 58.483 -0.338 25564 1347 1 3 . 1 1 51 51 SER CB C 51 64.429 64.429 63.561 0.868 25564 1348 1 3 . 1 1 51 51 SER H H 51 8.248 8.248 8.341 -0.093 25564 1349 1 3 . 1 1 52 52 SER HA H 52 4.795 4.795 5.589 -0.794 25564 1350 1 3 . 1 1 52 52 SER C C 52 173.840 173.840 173.816 0.024 25564 1351 1 3 . 1 1 52 52 SER CA C 52 58.319 58.319 56.680 1.639 25564 1352 1 3 . 1 1 52 52 SER CB C 52 65.231 65.231 65.727 -0.496 25564 1353 1 3 . 1 1 53 53 THR N N 53 121.052 121.052 117.710 3.342 25564 1354 1 3 . 1 1 53 53 THR HA H 53 4.294 4.294 4.405 -0.111 25564 1355 1 3 . 1 1 53 53 THR C C 53 171.241 171.241 171.756 -0.515 25564 1356 1 3 . 1 1 53 53 THR CA C 53 62.799 62.799 61.780 1.019 25564 1357 1 3 . 1 1 53 53 THR CB C 53 70.995 70.995 72.643 -1.648 25564 1358 1 3 . 1 1 53 53 THR H H 53 8.344 8.344 8.464 -0.120 25564 1359 1 3 . 1 1 54 54 GLU N N 54 125.190 125.190 124.743 0.447 25564 1360 1 3 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.557 0.057 25564 1361 1 3 . 1 1 54 54 GLU C C 54 175.175 175.175 175.562 -0.387 25564 1362 1 3 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.340 0.172 25564 1363 1 3 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.587 2.084 25564 1364 1 3 . 1 1 54 54 GLU H H 54 8.458 8.458 8.445 0.013 25564 1365 1 3 . 1 1 55 55 LEU N N 55 125.745 125.745 126.875 -1.130 25564 1366 1 3 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.701 0.154 25564 1367 1 3 . 1 1 55 55 LEU C C 55 175.121 175.121 175.364 -0.243 25564 1368 1 3 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.865 0.141 25564 1369 1 3 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.693 1.043 25564 1370 1 3 . 1 1 55 55 LEU H H 55 9.755 9.755 8.724 1.031 25564 1371 1 3 . 1 1 56 56 ASN N N 56 120.517 120.517 120.915 -0.398 25564 1372 1 3 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.491 0.073 25564 1373 1 3 . 1 1 56 56 ASN C C 56 174.180 174.180 174.408 -0.228 25564 1374 1 3 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.255 1.020 25564 1375 1 3 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.081 1.370 25564 1376 1 3 . 1 1 56 56 ASN H H 56 8.727 8.727 8.582 0.145 25564 1377 1 3 . 1 1 57 57 LEU N N 57 123.534 123.534 126.510 -2.976 25564 1378 1 3 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.040 0.095 25564 1379 1 3 . 1 1 57 57 LEU C C 57 174.960 174.960 175.064 -0.104 25564 1380 1 3 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.539 0.586 25564 1381 1 3 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.312 0.496 25564 1382 1 3 . 1 1 57 57 LEU H H 57 9.075 9.075 8.685 0.390 25564 1383 1 3 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.522 0.533 25564 1384 1 3 . 1 1 58 58 PRO C C 58 176.897 176.897 178.352 -1.455 25564 1385 1 3 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.730 -0.140 25564 1386 1 3 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.134 1.733 25564 1387 1 3 . 1 1 59 59 GLU N N 59 117.522 117.522 120.275 -2.753 25564 1388 1 3 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.092 -0.111 25564 1389 1 3 . 1 1 59 59 GLU C C 59 175.246 175.246 176.572 -1.326 25564 1390 1 3 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.652 -0.747 25564 1391 1 3 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.983 -0.059 25564 1392 1 3 . 1 1 59 59 GLU H H 59 8.905 8.905 8.889 0.016 25564 1393 1 3 . 1 1 60 60 THR N N 60 106.153 106.153 111.592 -5.439 25564 1394 1 3 . 1 1 60 60 THR HA H 60 4.155 4.155 4.414 -0.259 25564 1395 1 3 . 1 1 60 60 THR C C 60 175.087 175.087 173.163 1.924 25564 1396 1 3 . 1 1 60 60 THR CA C 60 61.646 61.646 60.424 1.222 25564 1397 1 3 . 1 1 60 60 THR CB C 60 69.638 69.638 68.270 1.368 25564 1398 1 3 . 1 1 60 60 THR H H 60 7.056 7.056 7.751 -0.695 25564 1399 1 3 . 1 1 61 61 ALA N N 61 125.590 125.590 123.094 2.496 25564 1400 1 3 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.254 0.096 25564 1401 1 3 . 1 1 61 61 ALA C C 61 176.988 176.988 176.123 0.865 25564 1402 1 3 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.659 1.811 25564 1403 1 3 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.240 0.984 25564 1404 1 3 . 1 1 61 61 ALA H H 61 7.808 7.808 8.243 -0.435 25564 1405 1 3 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.624 0.039 25564 1406 1 3 . 1 1 62 62 ASN C C 62 171.666 171.666 172.519 -0.853 25564 1407 1 3 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.162 0.016 25564 1408 1 3 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.228 -0.552 25564 1409 1 3 . 1 1 63 63 SER N N 63 109.802 109.802 113.605 -3.803 25564 1410 1 3 . 1 1 63 63 SER HA H 63 4.341 4.341 4.552 -0.211 25564 1411 1 3 . 1 1 63 63 SER C C 63 172.378 172.378 172.396 -0.018 25564 1412 1 3 . 1 1 63 63 SER CA C 63 56.541 56.541 57.161 -0.620 25564 1413 1 3 . 1 1 63 63 SER CB C 63 65.498 65.498 65.986 -0.488 25564 1414 1 3 . 1 1 63 63 SER H H 63 6.764 6.764 6.746 0.018 25564 1415 1 3 . 1 1 64 64 VAL N N 64 117.873 117.873 122.368 -4.495 25564 1416 1 3 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.421 0.019 25564 1417 1 3 . 1 1 64 64 VAL C C 64 171.395 171.395 174.435 -3.040 25564 1418 1 3 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.219 1.525 25564 1419 1 3 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.215 -0.124 25564 1420 1 3 . 1 1 64 64 VAL H H 64 8.793 8.793 8.811 -0.018 25564 1421 1 3 . 1 1 65 65 THR N N 65 123.328 123.328 124.901 -1.573 25564 1422 1 3 . 1 1 65 65 THR HA H 65 4.703 4.703 4.556 0.147 25564 1423 1 3 . 1 1 65 65 THR C C 65 173.608 173.608 174.039 -0.431 25564 1424 1 3 . 1 1 65 65 THR CA C 65 62.094 62.094 62.095 -0.001 25564 1425 1 3 . 1 1 65 65 THR CB C 65 69.754 69.754 68.312 1.442 25564 1426 1 3 . 1 1 65 65 THR H H 65 8.377 8.377 8.474 -0.097 25564 1427 1 3 . 1 1 66 66 LEU N N 66 130.029 130.029 127.401 2.628 25564 1428 1 3 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.318 0.033 25564 1429 1 3 . 1 1 66 66 LEU C C 66 174.738 174.738 176.175 -1.437 25564 1430 1 3 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.572 -1.014 25564 1431 1 3 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.048 -0.842 25564 1432 1 3 . 1 1 66 66 LEU H H 66 9.232 9.232 8.636 0.596 25564 1433 1 3 . 1 1 67 67 SER N N 67 117.107 117.107 115.032 2.075 25564 1434 1 3 . 1 1 67 67 SER HA H 67 4.936 4.936 5.016 -0.080 25564 1435 1 3 . 1 1 67 67 SER C C 67 172.509 172.509 173.945 -1.436 25564 1436 1 3 . 1 1 67 67 SER CA C 67 57.340 57.340 56.607 0.733 25564 1437 1 3 . 1 1 67 67 SER CB C 67 66.115 66.115 65.617 0.498 25564 1438 1 3 . 1 1 67 67 SER H H 67 8.174 8.174 8.302 -0.128 25564 1439 1 3 . 1 1 68 68 ASP N N 68 116.924 116.924 119.048 -2.124 25564 1440 1 3 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.230 0.124 25564 1441 1 3 . 1 1 68 68 ASP C C 68 175.654 175.654 174.858 0.796 25564 1442 1 3 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.505 0.097 25564 1443 1 3 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.908 -0.195 25564 1444 1 3 . 1 1 68 68 ASP H H 68 9.003 9.003 8.316 0.687 25564 1445 1 3 . 1 1 69 69 LEU N N 69 116.713 116.713 115.657 1.056 25564 1446 1 3 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.293 0.043 25564 1447 1 3 . 1 1 69 69 LEU C C 69 175.793 175.793 176.834 -1.041 25564 1448 1 3 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.829 -1.282 25564 1449 1 3 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.511 -1.477 25564 1450 1 3 . 1 1 69 69 LEU H H 69 8.605 8.605 7.543 1.062 25564 1451 1 3 . 1 1 70 70 GLN N N 70 118.301 118.301 118.876 -0.575 25564 1452 1 3 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.766 -0.000 25564 1453 1 3 . 1 1 70 70 GLN C C 70 174.178 174.178 173.947 0.231 25564 1454 1 3 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.357 0.591 25564 1455 1 3 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.809 -1.183 25564 1456 1 3 . 1 1 70 70 GLN H H 70 8.288 8.288 8.638 -0.350 25564 1457 1 3 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.208 1.044 25564 1458 1 3 . 1 1 71 71 PRO C C 71 177.837 177.837 177.323 0.514 25564 1459 1 3 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.705 -0.607 25564 1460 1 3 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.478 1.915 25564 1461 1 3 . 1 1 72 72 GLY N N 72 111.077 111.077 111.448 -0.371 25564 1462 1 3 . 1 1 72 72 GLY C C 72 174.621 174.621 173.421 1.200 25564 1463 1 3 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.132 2.094 25564 1464 1 3 . 1 1 72 72 GLY H H 72 7.348 7.348 8.466 -1.118 25564 1465 1 3 . 1 1 73 73 VAL N N 73 120.434 120.434 118.642 1.792 25564 1466 1 3 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.355 -0.243 25564 1467 1 3 . 1 1 73 73 VAL C C 73 173.963 173.963 174.434 -0.471 25564 1468 1 3 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.568 1.126 25564 1469 1 3 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.420 0.003 25564 1470 1 3 . 1 1 73 73 VAL H H 73 7.670 7.670 8.065 -0.395 25564 1471 1 3 . 1 1 74 74 GLN N N 74 123.606 123.606 124.599 -0.993 25564 1472 1 3 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.476 -0.269 25564 1473 1 3 . 1 1 74 74 GLN C C 74 174.283 174.283 174.527 -0.244 25564 1474 1 3 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.493 1.012 25564 1475 1 3 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.796 1.679 25564 1476 1 3 . 1 1 74 74 GLN H H 74 8.263 8.263 8.717 -0.454 25564 1477 1 3 . 1 1 75 75 TYR N N 75 127.153 127.153 127.816 -0.663 25564 1478 1 3 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.848 -0.108 25564 1479 1 3 . 1 1 75 75 TYR C C 75 174.412 174.412 174.837 -0.425 25564 1480 1 3 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.330 1.853 25564 1481 1 3 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.123 0.758 25564 1482 1 3 . 1 1 75 75 TYR H H 75 8.916 8.916 9.018 -0.102 25564 1483 1 3 . 1 1 76 76 ASN N N 76 120.363 120.363 124.484 -4.121 25564 1484 1 3 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.016 0.177 25564 1485 1 3 . 1 1 76 76 ASN C C 76 174.903 174.903 174.515 0.388 25564 1486 1 3 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.616 -0.777 25564 1487 1 3 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.818 1.521 25564 1488 1 3 . 1 1 76 76 ASN H H 76 9.014 9.014 8.893 0.121 25564 1489 1 3 . 1 1 77 77 ILE N N 77 127.376 127.376 127.663 -0.287 25564 1490 1 3 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.406 0.242 25564 1491 1 3 . 1 1 77 77 ILE C C 77 173.510 173.510 175.265 -1.755 25564 1492 1 3 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.272 0.084 25564 1493 1 3 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.101 2.810 25564 1494 1 3 . 1 1 77 77 ILE H H 77 9.466 9.466 8.941 0.525 25564 1495 1 3 . 1 1 78 78 THR N N 78 124.282 124.282 126.802 -2.520 25564 1496 1 3 . 1 1 78 78 THR HA H 78 5.117 5.117 5.421 -0.304 25564 1497 1 3 . 1 1 78 78 THR C C 78 173.140 173.140 173.618 -0.478 25564 1498 1 3 . 1 1 78 78 THR CA C 78 61.961 61.961 60.853 1.108 25564 1499 1 3 . 1 1 78 78 THR CB C 78 70.244 70.244 69.829 0.415 25564 1500 1 3 . 1 1 78 78 THR H H 78 9.535 9.535 8.790 0.745 25564 1501 1 3 . 1 1 79 79 ILE N N 79 125.033 125.033 126.749 -1.716 25564 1502 1 3 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.133 0.458 25564 1503 1 3 . 1 1 79 79 ILE C C 79 173.827 173.827 174.874 -1.047 25564 1504 1 3 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.261 2.487 25564 1505 1 3 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.053 4.217 25564 1506 1 3 . 1 1 79 79 ILE H H 79 8.974 8.974 8.380 0.594 25564 1507 1 3 . 1 1 80 80 TYR N N 80 122.647 122.647 126.883 -4.236 25564 1508 1 3 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.592 -0.073 25564 1509 1 3 . 1 1 80 80 TYR C C 80 177.072 177.072 174.036 3.036 25564 1510 1 3 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.687 0.714 25564 1511 1 3 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.009 1.891 25564 1512 1 3 . 1 1 80 80 TYR H H 80 9.137 9.137 9.073 0.064 25564 1513 1 3 . 1 1 81 81 ALA N N 81 124.412 124.412 128.062 -3.650 25564 1514 1 3 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.324 1.429 25564 1515 1 3 . 1 1 81 81 ALA C C 81 175.811 175.811 175.162 0.649 25564 1516 1 3 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.726 0.931 25564 1517 1 3 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.274 2.042 25564 1518 1 3 . 1 1 81 81 ALA H H 81 8.764 8.764 8.677 0.087 25564 1519 1 3 . 1 1 82 82 VAL N N 82 120.278 120.278 123.485 -3.207 25564 1520 1 3 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.414 0.199 25564 1521 1 3 . 1 1 82 82 VAL C C 82 174.662 174.662 174.083 0.579 25564 1522 1 3 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.021 1.158 25564 1523 1 3 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.811 -0.140 25564 1524 1 3 . 1 1 82 82 VAL H H 82 8.276 8.276 8.494 -0.218 25564 1525 1 3 . 1 1 83 83 GLU N N 83 127.125 127.125 126.998 0.127 25564 1526 1 3 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.700 -0.163 25564 1527 1 3 . 1 1 83 83 GLU C C 83 175.133 175.133 175.596 -0.463 25564 1528 1 3 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.377 1.623 25564 1529 1 3 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.271 0.445 25564 1530 1 3 . 1 1 83 83 GLU H H 83 8.849 8.849 8.728 0.121 25564 1531 1 3 . 1 1 84 84 GLU N N 84 125.009 125.009 120.330 4.679 25564 1532 1 3 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.942 -0.260 25564 1533 1 3 . 1 1 84 84 GLU C C 84 174.988 174.988 177.081 -2.093 25564 1534 1 3 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.948 -0.586 25564 1535 1 3 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.817 -2.095 25564 1536 1 3 . 1 1 84 84 GLU H H 84 8.952 8.952 8.872 0.080 25564 1537 1 3 . 1 1 85 85 ASN N N 85 119.010 119.010 113.601 5.409 25564 1538 1 3 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.656 0.050 25564 1539 1 3 . 1 1 85 85 ASN C C 85 174.499 174.499 173.904 0.595 25564 1540 1 3 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.825 0.128 25564 1541 1 3 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.264 -0.235 25564 1542 1 3 . 1 1 85 85 ASN H H 85 8.412 8.412 8.339 0.073 25564 1543 1 3 . 1 1 86 86 GLN N N 86 119.080 119.080 116.852 2.228 25564 1544 1 3 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.637 -0.033 25564 1545 1 3 . 1 1 86 86 GLN C C 86 174.270 174.270 173.741 0.529 25564 1546 1 3 . 1 1 86 86 GLN CA C 86 55.292 55.292 53.975 1.317 25564 1547 1 3 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.188 0.823 25564 1548 1 3 . 1 1 86 86 GLN H H 86 8.086 8.086 7.771 0.315 25564 1549 1 3 . 1 1 87 87 GLU N N 87 120.589 120.589 118.800 1.789 25564 1550 1 3 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.685 0.529 25564 1551 1 3 . 1 1 87 87 GLU C C 87 176.092 176.092 175.764 0.328 25564 1552 1 3 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.234 -0.512 25564 1553 1 3 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.051 1.664 25564 1554 1 3 . 1 1 87 87 GLU H H 87 8.498 8.498 8.619 -0.121 25564 1555 1 3 . 1 1 88 88 SER N N 88 116.013 116.013 121.062 -5.049 25564 1556 1 3 . 1 1 88 88 SER HA H 88 4.547 4.547 4.451 0.096 25564 1557 1 3 . 1 1 88 88 SER C C 88 175.202 175.202 174.927 0.275 25564 1558 1 3 . 1 1 88 88 SER CA C 88 58.211 58.211 59.485 -1.274 25564 1559 1 3 . 1 1 88 88 SER CB C 88 66.959 66.959 64.105 2.854 25564 1560 1 3 . 1 1 88 88 SER H H 88 8.954 8.954 8.919 0.035 25564 1561 1 3 . 1 1 89 89 THR N N 89 114.798 114.798 114.522 0.276 25564 1562 1 3 . 1 1 89 89 THR HA H 89 4.520 4.520 4.367 0.153 25564 1563 1 3 . 1 1 89 89 THR C C 89 173.754 173.754 173.179 0.575 25564 1564 1 3 . 1 1 89 89 THR CA C 89 61.673 61.673 61.274 0.399 25564 1565 1 3 . 1 1 89 89 THR CB C 89 69.286 69.286 68.373 0.913 25564 1566 1 3 . 1 1 89 89 THR H H 89 8.559 8.559 8.293 0.266 25564 1567 1 3 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.522 -0.367 25564 1568 1 3 . 1 1 90 90 PRO C C 90 177.970 177.970 176.183 1.787 25564 1569 1 3 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.665 1.060 25564 1570 1 3 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.839 -0.436 25564 1571 1 3 . 1 1 91 91 VAL N N 91 120.679 120.679 124.125 -3.446 25564 1572 1 3 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.012 0.265 25564 1573 1 3 . 1 1 91 91 VAL C C 91 173.958 173.958 174.889 -0.931 25564 1574 1 3 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.494 -0.896 25564 1575 1 3 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.775 1.172 25564 1576 1 3 . 1 1 91 91 VAL H H 91 8.189 8.189 8.512 -0.323 25564 1577 1 3 . 1 1 92 92 VAL N N 92 125.593 125.593 127.628 -2.035 25564 1578 1 3 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.648 0.359 25564 1579 1 3 . 1 1 92 92 VAL C C 92 176.045 176.045 175.252 0.793 25564 1580 1 3 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.815 0.546 25564 1581 1 3 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.958 2.176 25564 1582 1 3 . 1 1 92 92 VAL H H 92 8.300 8.300 8.448 -0.148 25564 1583 1 3 . 1 1 93 93 ILE N N 93 127.733 127.733 124.458 3.275 25564 1584 1 3 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.645 -0.229 25564 1585 1 3 . 1 1 93 93 ILE C C 93 174.071 174.071 174.661 -0.590 25564 1586 1 3 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.745 0.093 25564 1587 1 3 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.416 2.817 25564 1588 1 3 . 1 1 93 93 ILE H H 93 9.471 9.471 9.047 0.424 25564 1589 1 3 . 1 1 94 94 GLN N N 94 123.610 123.610 127.164 -3.554 25564 1590 1 3 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.045 0.496 25564 1591 1 3 . 1 1 94 94 GLN C C 94 175.328 175.328 175.212 0.116 25564 1592 1 3 . 1 1 94 94 GLN CA C 94 54.582 54.582 53.887 0.695 25564 1593 1 3 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.032 2.997 25564 1594 1 3 . 1 1 94 94 GLN H H 94 8.522 8.522 8.675 -0.153 25564 1595 1 3 . 1 1 95 95 GLN N N 95 123.044 123.044 124.456 -1.412 25564 1596 1 3 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.649 -0.139 25564 1597 1 3 . 1 1 95 95 GLN C C 95 173.530 173.530 174.556 -1.026 25564 1598 1 3 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.109 0.813 25564 1599 1 3 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.294 0.229 25564 1600 1 3 . 1 1 95 95 GLN H H 95 8.893 8.893 8.866 0.027 25564 1601 1 3 . 1 1 96 96 GLU N N 96 128.881 128.881 126.448 2.433 25564 1602 1 3 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.981 0.762 25564 1603 1 3 . 1 1 96 96 GLU C C 96 178.926 178.926 176.796 2.130 25564 1604 1 3 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.028 -0.209 25564 1605 1 3 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.938 0.587 25564 1606 1 3 . 1 1 96 96 GLU H H 96 8.913 8.913 8.816 0.097 25564 1607 1 3 . 1 1 97 97 THR N N 97 116.022 116.022 120.551 -4.529 25564 1608 1 3 . 1 1 97 97 THR HA H 97 4.344 4.344 4.360 -0.016 25564 1609 1 3 . 1 1 97 97 THR C C 97 176.660 176.660 175.896 0.764 25564 1610 1 3 . 1 1 97 97 THR CA C 97 61.453 61.453 62.560 -1.107 25564 1611 1 3 . 1 1 97 97 THR CB C 97 69.742 69.742 69.318 0.424 25564 1612 1 3 . 1 1 97 97 THR H H 97 8.740 8.740 8.732 0.008 25564 1613 1 3 . 1 1 98 98 THR N N 98 110.068 110.068 120.321 -10.253 25564 1614 1 3 . 1 1 98 98 THR HA H 98 4.270 4.270 4.215 0.055 25564 1615 1 3 . 1 1 98 98 THR C C 98 173.859 173.859 175.349 -1.490 25564 1616 1 3 . 1 1 98 98 THR CA C 98 62.659 62.659 63.976 -1.317 25564 1617 1 3 . 1 1 98 98 THR CB C 98 69.654 69.654 69.041 0.613 25564 1618 1 3 . 1 1 98 98 THR H H 98 7.287 7.287 8.625 -1.338 25564 1619 1 3 . 1 1 99 99 GLY N N 99 103.540 103.540 109.047 -5.507 25564 1620 1 3 . 1 1 99 99 GLY C C 99 174.225 174.225 172.921 1.304 25564 1621 1 3 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.677 0.278 25564 1622 1 3 . 1 1 99 99 GLY H H 99 8.033 8.033 8.047 -0.014 25564 1623 1 3 . 1 1 100 100 THR N N 100 114.887 114.887 117.428 -2.541 25564 1624 1 3 . 1 1 100 100 THR HA H 100 4.623 4.623 4.680 -0.057 25564 1625 1 3 . 1 1 100 100 THR C C 100 172.336 172.336 173.340 -1.004 25564 1626 1 3 . 1 1 100 100 THR CA C 100 59.775 59.775 59.245 0.530 25564 1627 1 3 . 1 1 100 100 THR CB C 100 70.644 70.644 69.912 0.732 25564 1628 1 3 . 1 1 100 100 THR H H 100 8.055 8.055 8.209 -0.154 25564 1629 1 3 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.253 0.246 25564 1630 1 3 . 1 1 101 101 PRO C C 101 177.344 177.344 176.707 0.637 25564 1631 1 3 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.973 -0.865 25564 1632 1 3 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.966 0.320 25564 1633 1 3 . 1 1 102 102 ARG N N 102 122.476 122.476 120.374 2.102 25564 1634 1 3 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.446 -0.132 25564 1635 1 3 . 1 1 102 102 ARG C C 102 176.790 176.790 176.423 0.367 25564 1636 1 3 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.026 0.378 25564 1637 1 3 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.768 0.497 25564 1638 1 3 . 1 1 102 102 ARG H H 102 8.771 8.771 7.894 0.877 25564 1639 1 3 . 1 1 103 103 SER HA H 103 4.523 4.523 4.471 0.052 25564 1640 1 3 . 1 1 103 103 SER CA C 103 58.311 58.311 58.043 0.268 25564 1641 1 3 . 1 1 103 103 SER CB C 103 64.168 64.168 63.715 0.453 25564 1642 1 3 . 1 1 104 104 ASP N N 104 122.461 122.461 120.286 2.175 25564 1643 1 3 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.730 -0.082 25564 1644 1 3 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.558 1.008 25564 1645 1 3 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.144 -0.761 25564 1646 1 3 . 1 1 104 104 ASP H H 104 8.418 8.418 7.929 0.489 25564 1647 1 3 . 1 1 105 105 GLY N N 105 109.250 109.250 107.991 1.259 25564 1648 1 3 . 1 1 105 105 GLY C C 105 173.987 173.987 173.826 0.161 25564 1649 1 3 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.228 0.545 25564 1650 1 3 . 1 1 105 105 GLY H H 105 8.390 8.390 8.714 -0.324 25564 1651 1 4 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.348 0.275 25564 1652 1 4 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.455 0.481 25564 1653 1 4 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.852 2.419 25564 1654 1 4 . 1 1 7 7 THR HA H 7 4.470 4.470 4.437 0.033 25564 1655 1 4 . 1 1 7 7 THR CA C 7 61.923 61.923 62.478 -0.555 25564 1656 1 4 . 1 1 7 7 THR CB C 7 70.142 70.142 68.602 1.540 25564 1657 1 4 . 1 1 8 8 THR N N 8 116.706 116.706 122.402 -5.696 25564 1658 1 4 . 1 1 8 8 THR HA H 8 4.371 4.371 4.369 0.002 25564 1659 1 4 . 1 1 8 8 THR C C 8 173.590 173.590 173.202 0.388 25564 1660 1 4 . 1 1 8 8 THR CA C 8 61.606 61.606 62.423 -0.817 25564 1661 1 4 . 1 1 8 8 THR CB C 8 70.303 70.303 69.604 0.699 25564 1662 1 4 . 1 1 8 8 THR H H 8 8.238 8.238 7.970 0.268 25564 1663 1 4 . 1 1 9 9 ALA N N 9 127.030 127.030 130.571 -3.541 25564 1664 1 4 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.831 -0.538 25564 1665 1 4 . 1 1 9 9 ALA C C 9 175.005 175.005 175.017 -0.012 25564 1666 1 4 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.007 1.806 25564 1667 1 4 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.733 -1.304 25564 1668 1 4 . 1 1 9 9 ALA H H 9 8.220 8.220 8.228 -0.008 25564 1669 1 4 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.491 -0.162 25564 1670 1 4 . 1 1 10 10 PRO C C 10 175.138 175.138 175.918 -0.780 25564 1671 1 4 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.630 0.167 25564 1672 1 4 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.362 -0.525 25564 1673 1 4 . 1 1 11 11 ASP N N 11 116.244 116.244 120.496 -4.252 25564 1674 1 4 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.611 -0.201 25564 1675 1 4 . 1 1 11 11 ASP C C 11 174.009 174.009 175.575 -1.566 25564 1676 1 4 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.048 0.335 25564 1677 1 4 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.353 -2.525 25564 1678 1 4 . 1 1 11 11 ASP H H 11 9.038 9.038 8.297 0.741 25564 1679 1 4 . 1 1 12 12 ALA N N 12 120.012 120.012 121.183 -1.171 25564 1680 1 4 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.612 -0.145 25564 1681 1 4 . 1 1 12 12 ALA C C 12 175.669 175.669 175.471 0.198 25564 1682 1 4 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.629 0.611 25564 1683 1 4 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.657 -0.747 25564 1684 1 4 . 1 1 12 12 ALA H H 12 7.944 7.944 8.261 -0.317 25564 1685 1 4 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.041 -0.552 25564 1686 1 4 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.584 -0.259 25564 1687 1 4 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.311 0.517 25564 1688 1 4 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.274 0.212 25564 1689 1 4 . 1 1 14 14 PRO C C 14 175.966 175.966 176.571 -0.605 25564 1690 1 4 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.900 0.095 25564 1691 1 4 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.467 0.162 25564 1692 1 4 . 1 1 15 15 ASP N N 15 117.405 117.405 120.840 -3.435 25564 1693 1 4 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.395 0.163 25564 1694 1 4 . 1 1 15 15 ASP C C 15 173.011 173.011 175.083 -2.072 25564 1695 1 4 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.774 0.456 25564 1696 1 4 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.220 0.102 25564 1697 1 4 . 1 1 15 15 ASP H H 15 8.470 8.470 8.533 -0.063 25564 1698 1 4 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.717 0.635 25564 1699 1 4 . 1 1 16 16 PRO C C 16 177.534 177.534 176.552 0.982 25564 1700 1 4 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.083 0.521 25564 1701 1 4 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.818 -1.334 25564 1702 1 4 . 1 1 17 17 THR N N 17 117.955 117.955 120.081 -2.126 25564 1703 1 4 . 1 1 17 17 THR HA H 17 4.563 4.563 4.505 0.058 25564 1704 1 4 . 1 1 17 17 THR C C 17 172.578 172.578 174.034 -1.456 25564 1705 1 4 . 1 1 17 17 THR CA C 17 61.093 61.093 61.679 -0.586 25564 1706 1 4 . 1 1 17 17 THR CB C 17 72.478 72.478 69.989 2.489 25564 1707 1 4 . 1 1 17 17 THR H H 17 9.415 9.415 8.574 0.841 25564 1708 1 4 . 1 1 18 18 VAL N N 18 124.494 124.494 128.795 -4.301 25564 1709 1 4 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.246 0.126 25564 1710 1 4 . 1 1 18 18 VAL C C 18 175.392 175.392 176.120 -0.728 25564 1711 1 4 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.680 0.170 25564 1712 1 4 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.520 0.554 25564 1713 1 4 . 1 1 18 18 VAL H H 18 8.645 8.645 8.742 -0.097 25564 1714 1 4 . 1 1 19 19 ASP N N 19 129.904 129.904 128.448 1.456 25564 1715 1 4 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.611 0.112 25564 1716 1 4 . 1 1 19 19 ASP C C 19 175.427 175.427 175.562 -0.135 25564 1717 1 4 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.576 -0.673 25564 1718 1 4 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.205 2.066 25564 1719 1 4 . 1 1 19 19 ASP H H 19 8.805 8.805 8.598 0.207 25564 1720 1 4 . 1 1 20 20 GLN N N 20 115.835 115.835 118.522 -2.687 25564 1721 1 4 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.610 -0.160 25564 1722 1 4 . 1 1 20 20 GLN C C 20 173.593 173.593 173.971 -0.378 25564 1723 1 4 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.878 1.067 25564 1724 1 4 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.914 -0.925 25564 1725 1 4 . 1 1 20 20 GLN H H 20 7.431 7.431 7.533 -0.102 25564 1726 1 4 . 1 1 21 21 VAL N N 21 122.956 122.956 122.855 0.101 25564 1727 1 4 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.303 0.416 25564 1728 1 4 . 1 1 21 21 VAL C C 21 173.753 173.753 174.423 -0.670 25564 1729 1 4 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.449 -0.130 25564 1730 1 4 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.889 2.114 25564 1731 1 4 . 1 1 21 21 VAL H H 21 8.317 8.317 8.482 -0.166 25564 1732 1 4 . 1 1 22 22 ASP N N 22 129.722 129.722 127.814 1.908 25564 1733 1 4 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.020 -0.266 25564 1734 1 4 . 1 1 22 22 ASP C C 22 176.114 176.114 176.306 -0.192 25564 1735 1 4 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.469 1.169 25564 1736 1 4 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.940 -2.563 25564 1737 1 4 . 1 1 22 22 ASP H H 22 8.778 8.778 8.708 0.070 25564 1738 1 4 . 1 1 23 23 ASP N N 23 115.970 115.970 118.929 -2.959 25564 1739 1 4 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.487 0.147 25564 1740 1 4 . 1 1 23 23 ASP C C 23 175.820 175.820 176.140 -0.320 25564 1741 1 4 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.207 -0.880 25564 1742 1 4 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.890 0.016 25564 1743 1 4 . 1 1 23 23 ASP H H 23 8.049 8.049 8.663 -0.614 25564 1744 1 4 . 1 1 24 24 THR N N 24 97.756 97.756 107.009 -9.253 25564 1745 1 4 . 1 1 24 24 THR HA H 24 4.566 4.566 4.561 0.005 25564 1746 1 4 . 1 1 24 24 THR C C 24 174.274 174.274 172.970 1.304 25564 1747 1 4 . 1 1 24 24 THR CA C 24 59.595 59.595 59.851 -0.256 25564 1748 1 4 . 1 1 24 24 THR CB C 24 71.670 71.670 68.121 3.549 25564 1749 1 4 . 1 1 24 24 THR H H 24 7.392 7.392 8.022 -0.630 25564 1750 1 4 . 1 1 25 25 SER N N 25 116.249 116.249 115.089 1.160 25564 1751 1 4 . 1 1 25 25 SER HA H 25 5.440 5.440 5.249 0.191 25564 1752 1 4 . 1 1 25 25 SER C C 25 171.891 171.891 171.972 -0.081 25564 1753 1 4 . 1 1 25 25 SER CA C 25 57.670 57.670 58.002 -0.332 25564 1754 1 4 . 1 1 25 25 SER CB C 25 67.439 67.439 65.740 1.699 25564 1755 1 4 . 1 1 25 25 SER H H 25 7.693 7.693 7.351 0.342 25564 1756 1 4 . 1 1 26 26 ILE N N 26 118.594 118.594 122.640 -4.046 25564 1757 1 4 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.847 -0.433 25564 1758 1 4 . 1 1 26 26 ILE C C 26 174.020 174.020 173.790 0.230 25564 1759 1 4 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.491 0.643 25564 1760 1 4 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.830 2.258 25564 1761 1 4 . 1 1 26 26 ILE H H 26 8.141 8.141 8.715 -0.574 25564 1762 1 4 . 1 1 27 27 VAL N N 27 126.778 126.778 124.885 1.893 25564 1763 1 4 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.116 -0.143 25564 1764 1 4 . 1 1 27 27 VAL C C 27 175.692 175.692 174.708 0.984 25564 1765 1 4 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.318 1.131 25564 1766 1 4 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.249 -0.436 25564 1767 1 4 . 1 1 27 27 VAL H H 27 8.642 8.642 8.852 -0.210 25564 1768 1 4 . 1 1 28 28 VAL N N 28 127.624 127.624 122.934 4.690 25564 1769 1 4 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.040 -0.180 25564 1770 1 4 . 1 1 28 28 VAL C C 28 173.467 173.467 173.712 -0.245 25564 1771 1 4 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.002 1.452 25564 1772 1 4 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.916 -0.964 25564 1773 1 4 . 1 1 28 28 VAL H H 28 8.656 8.656 8.986 -0.330 25564 1774 1 4 . 1 1 29 29 ARG N N 29 123.905 123.905 124.772 -0.867 25564 1775 1 4 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.907 -0.190 25564 1776 1 4 . 1 1 29 29 ARG C C 29 174.147 174.147 175.101 -0.954 25564 1777 1 4 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.666 0.200 25564 1778 1 4 . 1 1 29 29 ARG CB C 29 34.191 34.191 33.246 0.945 25564 1779 1 4 . 1 1 29 29 ARG H H 29 9.075 9.075 8.457 0.618 25564 1780 1 4 . 1 1 30 30 TRP N N 30 116.284 116.284 124.182 -7.898 25564 1781 1 4 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.083 -0.237 25564 1782 1 4 . 1 1 30 30 TRP C C 30 174.778 174.778 175.378 -0.600 25564 1783 1 4 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.596 2.939 25564 1784 1 4 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.088 -0.790 25564 1785 1 4 . 1 1 30 30 TRP H H 30 7.512 7.512 8.015 -0.503 25564 1786 1 4 . 1 1 31 31 SER HA H 31 4.747 4.747 4.600 0.147 25564 1787 1 4 . 1 1 31 31 SER C C 31 172.773 172.773 174.585 -1.812 25564 1788 1 4 . 1 1 31 31 SER CA C 31 57.875 57.875 57.354 0.521 25564 1789 1 4 . 1 1 31 31 SER CB C 31 64.093 64.093 63.092 1.001 25564 1790 1 4 . 1 1 32 32 ARG N N 32 122.062 122.062 126.710 -4.648 25564 1791 1 4 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.706 0.173 25564 1792 1 4 . 1 1 32 32 ARG C C 32 175.788 175.788 175.022 0.766 25564 1793 1 4 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.025 -0.740 25564 1794 1 4 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.155 2.265 25564 1795 1 4 . 1 1 32 32 ARG H H 32 8.337 8.337 7.925 0.412 25564 1796 1 4 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.575 -0.099 25564 1797 1 4 . 1 1 33 33 PRO C C 33 175.739 175.739 176.231 -0.492 25564 1798 1 4 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.276 0.690 25564 1799 1 4 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.345 -0.370 25564 1800 1 4 . 1 1 34 34 GLN N N 34 122.510 122.510 119.919 2.591 25564 1801 1 4 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.227 -0.073 25564 1802 1 4 . 1 1 34 34 GLN C C 34 177.396 177.396 175.902 1.494 25564 1803 1 4 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.515 0.988 25564 1804 1 4 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.156 0.490 25564 1805 1 4 . 1 1 34 34 GLN H H 34 10.310 10.310 8.637 1.673 25564 1806 1 4 . 1 1 35 35 ALA N N 35 123.797 123.797 123.795 0.002 25564 1807 1 4 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.507 -0.029 25564 1808 1 4 . 1 1 35 35 ALA C C 35 174.959 174.959 175.537 -0.578 25564 1809 1 4 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.035 0.832 25564 1810 1 4 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.820 0.350 25564 1811 1 4 . 1 1 35 35 ALA H H 35 8.725 8.725 7.693 1.032 25564 1812 1 4 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.439 0.144 25564 1813 1 4 . 1 1 36 36 PRO C C 36 175.555 175.555 175.880 -0.325 25564 1814 1 4 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.186 -0.184 25564 1815 1 4 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.383 -1.408 25564 1816 1 4 . 1 1 37 37 ILE N N 37 114.656 114.656 118.727 -4.071 25564 1817 1 4 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.610 -0.210 25564 1818 1 4 . 1 1 37 37 ILE C C 37 176.204 176.204 175.640 0.564 25564 1819 1 4 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.156 1.955 25564 1820 1 4 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.654 0.988 25564 1821 1 4 . 1 1 37 37 ILE H H 37 7.946 7.946 7.941 0.005 25564 1822 1 4 . 1 1 38 38 THR N N 38 109.332 109.332 113.496 -4.164 25564 1823 1 4 . 1 1 38 38 THR HA H 38 4.576 4.576 4.631 -0.055 25564 1824 1 4 . 1 1 38 38 THR C C 38 175.325 175.325 175.453 -0.128 25564 1825 1 4 . 1 1 38 38 THR CA C 38 61.858 61.858 62.212 -0.354 25564 1826 1 4 . 1 1 38 38 THR CB C 38 69.971 69.971 70.508 -0.537 25564 1827 1 4 . 1 1 38 38 THR H H 38 9.767 9.767 8.953 0.814 25564 1828 1 4 . 1 1 39 39 GLY N N 39 109.326 109.326 109.826 -0.500 25564 1829 1 4 . 1 1 39 39 GLY C C 39 169.390 169.390 171.729 -2.339 25564 1830 1 4 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.086 -0.446 25564 1831 1 4 . 1 1 39 39 GLY H H 39 7.641 7.641 7.979 -0.338 25564 1832 1 4 . 1 1 40 40 TYR N N 40 113.638 113.638 118.412 -4.774 25564 1833 1 4 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.714 -0.362 25564 1834 1 4 . 1 1 40 40 TYR C C 40 174.719 174.719 174.982 -0.263 25564 1835 1 4 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.601 0.388 25564 1836 1 4 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.967 0.352 25564 1837 1 4 . 1 1 40 40 TYR H H 40 8.470 8.470 8.724 -0.254 25564 1838 1 4 . 1 1 41 41 ARG N N 41 125.140 125.140 121.803 3.337 25564 1839 1 4 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.426 -0.144 25564 1840 1 4 . 1 1 41 41 ARG C C 41 173.714 173.714 175.099 -1.385 25564 1841 1 4 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.643 2.126 25564 1842 1 4 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.791 1.909 25564 1843 1 4 . 1 1 41 41 ARG H H 41 9.148 9.148 8.947 0.201 25564 1844 1 4 . 1 1 42 42 ILE N N 42 126.999 126.999 122.041 4.958 25564 1845 1 4 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.095 0.247 25564 1846 1 4 . 1 1 42 42 ILE C C 42 174.706 174.706 175.002 -0.296 25564 1847 1 4 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.841 -2.058 25564 1848 1 4 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.722 -0.328 25564 1849 1 4 . 1 1 42 42 ILE H H 42 9.237 9.237 8.866 0.371 25564 1850 1 4 . 1 1 43 43 VAL N N 43 126.775 126.775 128.742 -1.967 25564 1851 1 4 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.947 0.401 25564 1852 1 4 . 1 1 43 43 VAL C C 43 175.795 175.795 175.722 0.073 25564 1853 1 4 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.668 -0.064 25564 1854 1 4 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.569 2.610 25564 1855 1 4 . 1 1 43 43 VAL H H 43 9.369 9.369 9.045 0.324 25564 1856 1 4 . 1 1 44 44 TYR N N 44 122.788 122.788 125.432 -2.644 25564 1857 1 4 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.865 0.379 25564 1858 1 4 . 1 1 44 44 TYR C C 44 174.353 174.353 174.354 -0.001 25564 1859 1 4 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.266 1.144 25564 1860 1 4 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.906 3.444 25564 1861 1 4 . 1 1 44 44 TYR H H 44 9.253 9.253 8.881 0.372 25564 1862 1 4 . 1 1 45 45 SER N N 45 114.339 114.339 117.347 -3.008 25564 1863 1 4 . 1 1 45 45 SER HA H 45 5.208 5.208 4.923 0.285 25564 1864 1 4 . 1 1 45 45 SER C C 45 171.693 171.693 172.120 -0.427 25564 1865 1 4 . 1 1 45 45 SER CA C 45 55.870 55.870 54.556 1.314 25564 1866 1 4 . 1 1 45 45 SER CB C 45 65.646 65.646 65.438 0.208 25564 1867 1 4 . 1 1 45 45 SER H H 45 8.797 8.797 9.049 -0.252 25564 1868 1 4 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.914 -0.528 25564 1869 1 4 . 1 1 46 46 PRO C C 46 177.666 177.666 176.766 0.900 25564 1870 1 4 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.261 0.431 25564 1871 1 4 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.008 0.009 25564 1872 1 4 . 1 1 47 47 SER N N 47 118.732 118.732 117.252 1.480 25564 1873 1 4 . 1 1 47 47 SER HA H 47 4.069 4.069 4.222 -0.153 25564 1874 1 4 . 1 1 47 47 SER C C 47 175.055 175.055 174.948 0.107 25564 1875 1 4 . 1 1 47 47 SER CA C 47 60.992 60.992 60.677 0.315 25564 1876 1 4 . 1 1 47 47 SER CB C 47 63.541 63.541 63.514 0.027 25564 1877 1 4 . 1 1 47 47 SER H H 47 8.648 8.648 8.383 0.265 25564 1878 1 4 . 1 1 48 48 VAL N N 48 117.213 117.213 118.983 -1.770 25564 1879 1 4 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.189 -0.107 25564 1880 1 4 . 1 1 48 48 VAL C C 48 175.456 175.456 174.610 0.846 25564 1881 1 4 . 1 1 48 48 VAL CA C 48 62.987 62.987 63.024 -0.037 25564 1882 1 4 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.865 0.003 25564 1883 1 4 . 1 1 48 48 VAL H H 48 7.640 7.640 7.723 -0.083 25564 1884 1 4 . 1 1 49 49 GLU N N 49 119.528 119.528 118.378 1.150 25564 1885 1 4 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.380 -0.232 25564 1886 1 4 . 1 1 49 49 GLU C C 49 176.081 176.081 174.637 1.444 25564 1887 1 4 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.666 0.508 25564 1888 1 4 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.819 -0.651 25564 1889 1 4 . 1 1 49 49 GLU H H 49 8.150 8.150 7.902 0.248 25564 1890 1 4 . 1 1 50 50 GLY N N 50 108.013 108.013 109.774 -1.761 25564 1891 1 4 . 1 1 50 50 GLY C C 50 173.617 173.617 172.976 0.641 25564 1892 1 4 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.632 0.778 25564 1893 1 4 . 1 1 50 50 GLY H H 50 8.144 8.144 7.967 0.177 25564 1894 1 4 . 1 1 51 51 SER N N 51 115.893 115.893 119.081 -3.188 25564 1895 1 4 . 1 1 51 51 SER HA H 51 4.604 4.604 4.680 -0.076 25564 1896 1 4 . 1 1 51 51 SER CA C 51 58.145 58.145 57.788 0.356 25564 1897 1 4 . 1 1 51 51 SER CB C 51 64.429 64.429 63.327 1.102 25564 1898 1 4 . 1 1 51 51 SER H H 51 8.248 8.248 8.339 -0.091 25564 1899 1 4 . 1 1 52 52 SER HA H 52 4.795 4.795 5.618 -0.823 25564 1900 1 4 . 1 1 52 52 SER C C 52 173.840 173.840 173.790 0.050 25564 1901 1 4 . 1 1 52 52 SER CA C 52 58.319 58.319 56.699 1.620 25564 1902 1 4 . 1 1 52 52 SER CB C 52 65.231 65.231 66.139 -0.908 25564 1903 1 4 . 1 1 53 53 THR N N 53 121.052 121.052 117.055 3.997 25564 1904 1 4 . 1 1 53 53 THR HA H 53 4.294 4.294 4.398 -0.104 25564 1905 1 4 . 1 1 53 53 THR C C 53 171.241 171.241 171.745 -0.504 25564 1906 1 4 . 1 1 53 53 THR CA C 53 62.799 62.799 61.773 1.026 25564 1907 1 4 . 1 1 53 53 THR CB C 53 70.995 70.995 72.614 -1.619 25564 1908 1 4 . 1 1 53 53 THR H H 53 8.344 8.344 8.403 -0.059 25564 1909 1 4 . 1 1 54 54 GLU N N 54 125.190 125.190 124.077 1.113 25564 1910 1 4 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.557 0.057 25564 1911 1 4 . 1 1 54 54 GLU C C 54 175.175 175.175 175.555 -0.380 25564 1912 1 4 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.361 0.151 25564 1913 1 4 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.600 2.071 25564 1914 1 4 . 1 1 54 54 GLU H H 54 8.458 8.458 8.416 0.042 25564 1915 1 4 . 1 1 55 55 LEU N N 55 125.745 125.745 126.282 -0.537 25564 1916 1 4 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.666 0.189 25564 1917 1 4 . 1 1 55 55 LEU C C 55 175.121 175.121 175.285 -0.164 25564 1918 1 4 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.962 0.043 25564 1919 1 4 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.582 1.154 25564 1920 1 4 . 1 1 55 55 LEU H H 55 9.755 9.755 8.747 1.008 25564 1921 1 4 . 1 1 56 56 ASN N N 56 120.517 120.517 120.367 0.150 25564 1922 1 4 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.583 -0.019 25564 1923 1 4 . 1 1 56 56 ASN C C 56 174.180 174.180 174.110 0.070 25564 1924 1 4 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.232 1.043 25564 1925 1 4 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.027 1.424 25564 1926 1 4 . 1 1 56 56 ASN H H 56 8.727 8.727 8.504 0.223 25564 1927 1 4 . 1 1 57 57 LEU N N 57 123.534 123.534 126.399 -2.865 25564 1928 1 4 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.050 0.085 25564 1929 1 4 . 1 1 57 57 LEU C C 57 174.960 174.960 175.057 -0.097 25564 1930 1 4 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.562 0.563 25564 1931 1 4 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.276 0.532 25564 1932 1 4 . 1 1 57 57 LEU H H 57 9.075 9.075 8.776 0.299 25564 1933 1 4 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.570 0.485 25564 1934 1 4 . 1 1 58 58 PRO C C 58 176.897 176.897 178.420 -1.523 25564 1935 1 4 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.581 0.008 25564 1936 1 4 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.164 1.703 25564 1937 1 4 . 1 1 59 59 GLU N N 59 117.522 117.522 120.543 -3.021 25564 1938 1 4 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.123 -0.142 25564 1939 1 4 . 1 1 59 59 GLU C C 59 175.246 175.246 176.793 -1.547 25564 1940 1 4 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.925 -1.020 25564 1941 1 4 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.942 -0.018 25564 1942 1 4 . 1 1 59 59 GLU H H 59 8.905 8.905 8.906 -0.001 25564 1943 1 4 . 1 1 60 60 THR N N 60 106.153 106.153 112.092 -5.939 25564 1944 1 4 . 1 1 60 60 THR HA H 60 4.155 4.155 4.400 -0.245 25564 1945 1 4 . 1 1 60 60 THR C C 60 175.087 175.087 173.573 1.514 25564 1946 1 4 . 1 1 60 60 THR CA C 60 61.646 61.646 60.717 0.929 25564 1947 1 4 . 1 1 60 60 THR CB C 60 69.638 69.638 68.110 1.528 25564 1948 1 4 . 1 1 60 60 THR H H 60 7.056 7.056 7.815 -0.759 25564 1949 1 4 . 1 1 61 61 ALA N N 61 125.590 125.590 124.175 1.415 25564 1950 1 4 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.376 -0.026 25564 1951 1 4 . 1 1 61 61 ALA C C 61 176.988 176.988 175.874 1.114 25564 1952 1 4 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.815 1.655 25564 1953 1 4 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.854 1.370 25564 1954 1 4 . 1 1 61 61 ALA H H 61 7.808 7.808 8.350 -0.542 25564 1955 1 4 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.647 0.016 25564 1956 1 4 . 1 1 62 62 ASN C C 62 171.666 171.666 172.687 -1.021 25564 1957 1 4 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.256 -0.078 25564 1958 1 4 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.425 -0.749 25564 1959 1 4 . 1 1 63 63 SER N N 63 109.802 109.802 114.917 -5.115 25564 1960 1 4 . 1 1 63 63 SER HA H 63 4.341 4.341 4.691 -0.350 25564 1961 1 4 . 1 1 63 63 SER C C 63 172.378 172.378 172.626 -0.248 25564 1962 1 4 . 1 1 63 63 SER CA C 63 56.541 56.541 57.367 -0.826 25564 1963 1 4 . 1 1 63 63 SER CB C 63 65.498 65.498 65.814 -0.316 25564 1964 1 4 . 1 1 63 63 SER H H 63 6.764 6.764 6.775 -0.011 25564 1965 1 4 . 1 1 64 64 VAL N N 64 117.873 117.873 122.759 -4.886 25564 1966 1 4 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.539 -0.099 25564 1967 1 4 . 1 1 64 64 VAL C C 64 171.395 171.395 174.107 -2.712 25564 1968 1 4 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.502 1.242 25564 1969 1 4 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.804 0.287 25564 1970 1 4 . 1 1 64 64 VAL H H 64 8.793 8.793 8.868 -0.075 25564 1971 1 4 . 1 1 65 65 THR N N 65 123.328 123.328 124.720 -1.392 25564 1972 1 4 . 1 1 65 65 THR HA H 65 4.703 4.703 4.506 0.197 25564 1973 1 4 . 1 1 65 65 THR C C 65 173.608 173.608 174.026 -0.418 25564 1974 1 4 . 1 1 65 65 THR CA C 65 62.094 62.094 61.994 0.100 25564 1975 1 4 . 1 1 65 65 THR CB C 65 69.754 69.754 68.763 0.992 25564 1976 1 4 . 1 1 65 65 THR H H 65 8.377 8.377 8.494 -0.117 25564 1977 1 4 . 1 1 66 66 LEU N N 66 130.029 130.029 127.660 2.369 25564 1978 1 4 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.222 0.129 25564 1979 1 4 . 1 1 66 66 LEU C C 66 174.738 174.738 175.987 -1.249 25564 1980 1 4 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.547 -0.989 25564 1981 1 4 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.102 -0.896 25564 1982 1 4 . 1 1 66 66 LEU H H 66 9.232 9.232 8.551 0.681 25564 1983 1 4 . 1 1 67 67 SER N N 67 117.107 117.107 115.581 1.526 25564 1984 1 4 . 1 1 67 67 SER HA H 67 4.936 4.936 4.904 0.032 25564 1985 1 4 . 1 1 67 67 SER C C 67 172.509 172.509 173.918 -1.409 25564 1986 1 4 . 1 1 67 67 SER CA C 67 57.340 57.340 56.594 0.746 25564 1987 1 4 . 1 1 67 67 SER CB C 67 66.115 66.115 65.345 0.770 25564 1988 1 4 . 1 1 67 67 SER H H 67 8.174 8.174 8.262 -0.088 25564 1989 1 4 . 1 1 68 68 ASP N N 68 116.924 116.924 120.638 -3.714 25564 1990 1 4 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.323 0.031 25564 1991 1 4 . 1 1 68 68 ASP C C 68 175.654 175.654 175.227 0.427 25564 1992 1 4 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.300 0.302 25564 1993 1 4 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.099 -0.385 25564 1994 1 4 . 1 1 68 68 ASP H H 68 9.003 9.003 8.275 0.728 25564 1995 1 4 . 1 1 69 69 LEU N N 69 116.713 116.713 116.456 0.257 25564 1996 1 4 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.409 -0.073 25564 1997 1 4 . 1 1 69 69 LEU C C 69 175.793 175.793 176.780 -0.987 25564 1998 1 4 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.158 -1.611 25564 1999 1 4 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.481 -1.447 25564 2000 1 4 . 1 1 69 69 LEU H H 69 8.605 8.605 7.206 1.399 25564 2001 1 4 . 1 1 70 70 GLN N N 70 118.301 118.301 117.479 0.822 25564 2002 1 4 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.827 -0.061 25564 2003 1 4 . 1 1 70 70 GLN C C 70 174.178 174.178 174.054 0.124 25564 2004 1 4 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.737 0.211 25564 2005 1 4 . 1 1 70 70 GLN CB C 70 30.626 30.626 30.873 -0.247 25564 2006 1 4 . 1 1 70 70 GLN H H 70 8.288 8.288 8.679 -0.391 25564 2007 1 4 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.212 1.040 25564 2008 1 4 . 1 1 71 71 PRO C C 71 177.837 177.837 177.528 0.309 25564 2009 1 4 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.829 -0.731 25564 2010 1 4 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.387 2.006 25564 2011 1 4 . 1 1 72 72 GLY N N 72 111.077 111.077 111.677 -0.600 25564 2012 1 4 . 1 1 72 72 GLY C C 72 174.621 174.621 173.325 1.296 25564 2013 1 4 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.299 1.927 25564 2014 1 4 . 1 1 72 72 GLY H H 72 7.348 7.348 8.366 -1.018 25564 2015 1 4 . 1 1 73 73 VAL N N 73 120.434 120.434 120.441 -0.007 25564 2016 1 4 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.324 -0.212 25564 2017 1 4 . 1 1 73 73 VAL C C 73 173.963 173.963 174.953 -0.990 25564 2018 1 4 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.685 1.009 25564 2019 1 4 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.529 -0.106 25564 2020 1 4 . 1 1 73 73 VAL H H 73 7.670 7.670 8.427 -0.757 25564 2021 1 4 . 1 1 74 74 GLN N N 74 123.606 123.606 125.957 -2.351 25564 2022 1 4 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.460 -0.253 25564 2023 1 4 . 1 1 74 74 GLN C C 74 174.283 174.283 174.672 -0.389 25564 2024 1 4 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.685 0.820 25564 2025 1 4 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.011 1.464 25564 2026 1 4 . 1 1 74 74 GLN H H 74 8.263 8.263 8.749 -0.486 25564 2027 1 4 . 1 1 75 75 TYR N N 75 127.153 127.153 127.115 0.038 25564 2028 1 4 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.822 -0.082 25564 2029 1 4 . 1 1 75 75 TYR C C 75 174.412 174.412 174.524 -0.112 25564 2030 1 4 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.082 2.101 25564 2031 1 4 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.684 0.197 25564 2032 1 4 . 1 1 75 75 TYR H H 75 8.916 8.916 9.029 -0.113 25564 2033 1 4 . 1 1 76 76 ASN N N 76 120.363 120.363 124.047 -3.684 25564 2034 1 4 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.040 0.153 25564 2035 1 4 . 1 1 76 76 ASN C C 76 174.903 174.903 174.508 0.395 25564 2036 1 4 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.645 -0.806 25564 2037 1 4 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.014 1.325 25564 2038 1 4 . 1 1 76 76 ASN H H 76 9.014 9.014 8.984 0.030 25564 2039 1 4 . 1 1 77 77 ILE N N 77 127.376 127.376 127.933 -0.557 25564 2040 1 4 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.361 0.287 25564 2041 1 4 . 1 1 77 77 ILE C C 77 173.510 173.510 175.254 -1.744 25564 2042 1 4 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.320 0.036 25564 2043 1 4 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.299 2.612 25564 2044 1 4 . 1 1 77 77 ILE H H 77 9.466 9.466 9.117 0.349 25564 2045 1 4 . 1 1 78 78 THR N N 78 124.282 124.282 126.252 -1.970 25564 2046 1 4 . 1 1 78 78 THR HA H 78 5.117 5.117 5.500 -0.383 25564 2047 1 4 . 1 1 78 78 THR C C 78 173.140 173.140 173.670 -0.530 25564 2048 1 4 . 1 1 78 78 THR CA C 78 61.961 61.961 60.913 1.048 25564 2049 1 4 . 1 1 78 78 THR CB C 78 70.244 70.244 69.581 0.663 25564 2050 1 4 . 1 1 78 78 THR H H 78 9.535 9.535 8.760 0.775 25564 2051 1 4 . 1 1 79 79 ILE N N 79 125.033 125.033 126.458 -1.425 25564 2052 1 4 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.168 0.423 25564 2053 1 4 . 1 1 79 79 ILE C C 79 173.827 173.827 174.728 -0.901 25564 2054 1 4 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.353 2.394 25564 2055 1 4 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.962 3.308 25564 2056 1 4 . 1 1 79 79 ILE H H 79 8.974 8.974 8.366 0.608 25564 2057 1 4 . 1 1 80 80 TYR N N 80 122.647 122.647 124.575 -1.928 25564 2058 1 4 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.624 -0.105 25564 2059 1 4 . 1 1 80 80 TYR C C 80 177.072 177.072 173.885 3.187 25564 2060 1 4 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.607 0.794 25564 2061 1 4 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.207 0.693 25564 2062 1 4 . 1 1 80 80 TYR H H 80 9.137 9.137 8.941 0.196 25564 2063 1 4 . 1 1 81 81 ALA N N 81 124.412 124.412 128.751 -4.339 25564 2064 1 4 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.273 1.480 25564 2065 1 4 . 1 1 81 81 ALA C C 81 175.811 175.811 175.351 0.460 25564 2066 1 4 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.755 0.902 25564 2067 1 4 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.664 2.652 25564 2068 1 4 . 1 1 81 81 ALA H H 81 8.764 8.764 8.627 0.137 25564 2069 1 4 . 1 1 82 82 VAL N N 82 120.278 120.278 123.920 -3.642 25564 2070 1 4 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.359 0.254 25564 2071 1 4 . 1 1 82 82 VAL C C 82 174.662 174.662 174.358 0.304 25564 2072 1 4 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.345 0.834 25564 2073 1 4 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.216 0.455 25564 2074 1 4 . 1 1 82 82 VAL H H 82 8.276 8.276 8.462 -0.186 25564 2075 1 4 . 1 1 83 83 GLU N N 83 127.125 127.125 127.294 -0.169 25564 2076 1 4 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.624 -0.087 25564 2077 1 4 . 1 1 83 83 GLU C C 83 175.133 175.133 175.822 -0.689 25564 2078 1 4 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.097 1.903 25564 2079 1 4 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.459 -0.743 25564 2080 1 4 . 1 1 83 83 GLU H H 83 8.849 8.849 8.636 0.213 25564 2081 1 4 . 1 1 84 84 GLU N N 84 125.009 125.009 121.355 3.654 25564 2082 1 4 . 1 1 84 84 GLU HA H 84 3.682 3.682 4.080 -0.398 25564 2083 1 4 . 1 1 84 84 GLU C C 84 174.988 174.988 177.796 -2.808 25564 2084 1 4 . 1 1 84 84 GLU CA C 84 59.362 59.362 58.907 0.455 25564 2085 1 4 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.862 -2.140 25564 2086 1 4 . 1 1 84 84 GLU H H 84 8.952 8.952 8.926 0.026 25564 2087 1 4 . 1 1 85 85 ASN N N 85 119.010 119.010 113.995 5.015 25564 2088 1 4 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.889 -0.183 25564 2089 1 4 . 1 1 85 85 ASN C C 85 174.499 174.499 174.406 0.093 25564 2090 1 4 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.228 0.725 25564 2091 1 4 . 1 1 85 85 ASN CB C 85 39.030 39.030 40.591 -1.561 25564 2092 1 4 . 1 1 85 85 ASN H H 85 8.412 8.412 8.653 -0.241 25564 2093 1 4 . 1 1 86 86 GLN N N 86 119.080 119.080 119.025 0.055 25564 2094 1 4 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.668 -0.064 25564 2095 1 4 . 1 1 86 86 GLN C C 86 174.270 174.270 173.781 0.489 25564 2096 1 4 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.474 0.818 25564 2097 1 4 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.825 -0.814 25564 2098 1 4 . 1 1 86 86 GLN H H 86 8.086 8.086 7.540 0.546 25564 2099 1 4 . 1 1 87 87 GLU N N 87 120.589 120.589 119.853 0.736 25564 2100 1 4 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.709 0.505 25564 2101 1 4 . 1 1 87 87 GLU C C 87 176.092 176.092 175.850 0.242 25564 2102 1 4 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.381 -0.659 25564 2103 1 4 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.846 0.869 25564 2104 1 4 . 1 1 87 87 GLU H H 87 8.498 8.498 8.608 -0.110 25564 2105 1 4 . 1 1 88 88 SER N N 88 116.013 116.013 121.515 -5.502 25564 2106 1 4 . 1 1 88 88 SER HA H 88 4.547 4.547 4.674 -0.127 25564 2107 1 4 . 1 1 88 88 SER C C 88 175.202 175.202 175.379 -0.177 25564 2108 1 4 . 1 1 88 88 SER CA C 88 58.211 58.211 58.982 -0.771 25564 2109 1 4 . 1 1 88 88 SER CB C 88 66.959 66.959 64.120 2.839 25564 2110 1 4 . 1 1 88 88 SER H H 88 8.954 8.954 8.718 0.236 25564 2111 1 4 . 1 1 89 89 THR N N 89 114.798 114.798 115.177 -0.379 25564 2112 1 4 . 1 1 89 89 THR HA H 89 4.520 4.520 4.326 0.194 25564 2113 1 4 . 1 1 89 89 THR C C 89 173.754 173.754 173.109 0.645 25564 2114 1 4 . 1 1 89 89 THR CA C 89 61.673 61.673 61.307 0.366 25564 2115 1 4 . 1 1 89 89 THR CB C 89 69.286 69.286 68.493 0.793 25564 2116 1 4 . 1 1 89 89 THR H H 89 8.559 8.559 8.361 0.198 25564 2117 1 4 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.464 -0.309 25564 2118 1 4 . 1 1 90 90 PRO C C 90 177.970 177.970 176.324 1.646 25564 2119 1 4 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.828 0.897 25564 2120 1 4 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.949 -0.546 25564 2121 1 4 . 1 1 91 91 VAL N N 91 120.679 120.679 124.214 -3.535 25564 2122 1 4 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.959 0.318 25564 2123 1 4 . 1 1 91 91 VAL C C 91 173.958 173.958 174.604 -0.646 25564 2124 1 4 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.487 -0.889 25564 2125 1 4 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.734 1.213 25564 2126 1 4 . 1 1 91 91 VAL H H 91 8.189 8.189 8.453 -0.264 25564 2127 1 4 . 1 1 92 92 VAL N N 92 125.593 125.593 127.603 -2.010 25564 2128 1 4 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.741 0.266 25564 2129 1 4 . 1 1 92 92 VAL C C 92 176.045 176.045 175.606 0.439 25564 2130 1 4 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.535 0.826 25564 2131 1 4 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.699 2.435 25564 2132 1 4 . 1 1 92 92 VAL H H 92 8.300 8.300 8.464 -0.164 25564 2133 1 4 . 1 1 93 93 ILE N N 93 127.733 127.733 124.400 3.333 25564 2134 1 4 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.700 -0.284 25564 2135 1 4 . 1 1 93 93 ILE C C 93 174.071 174.071 174.466 -0.395 25564 2136 1 4 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.935 -0.097 25564 2137 1 4 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.482 2.750 25564 2138 1 4 . 1 1 93 93 ILE H H 93 9.471 9.471 9.015 0.456 25564 2139 1 4 . 1 1 94 94 GLN N N 94 123.610 123.610 127.025 -3.415 25564 2140 1 4 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.165 0.376 25564 2141 1 4 . 1 1 94 94 GLN C C 94 175.328 175.328 175.162 0.166 25564 2142 1 4 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.493 0.089 25564 2143 1 4 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.263 1.766 25564 2144 1 4 . 1 1 94 94 GLN H H 94 8.522 8.522 8.647 -0.125 25564 2145 1 4 . 1 1 95 95 GLN N N 95 123.044 123.044 124.382 -1.338 25564 2146 1 4 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.704 -0.194 25564 2147 1 4 . 1 1 95 95 GLN C C 95 173.530 173.530 174.579 -1.049 25564 2148 1 4 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.664 0.258 25564 2149 1 4 . 1 1 95 95 GLN CB C 95 32.523 32.523 33.026 -0.503 25564 2150 1 4 . 1 1 95 95 GLN H H 95 8.893 8.893 9.101 -0.208 25564 2151 1 4 . 1 1 96 96 GLU N N 96 128.881 128.881 124.743 4.138 25564 2152 1 4 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.795 0.948 25564 2153 1 4 . 1 1 96 96 GLU C C 96 178.926 178.926 176.703 2.223 25564 2154 1 4 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.836 -1.017 25564 2155 1 4 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.226 1.300 25564 2156 1 4 . 1 1 96 96 GLU H H 96 8.913 8.913 8.679 0.234 25564 2157 1 4 . 1 1 97 97 THR N N 97 116.022 116.022 117.813 -1.791 25564 2158 1 4 . 1 1 97 97 THR HA H 97 4.344 4.344 4.285 0.059 25564 2159 1 4 . 1 1 97 97 THR C C 97 176.660 176.660 175.338 1.322 25564 2160 1 4 . 1 1 97 97 THR CA C 97 61.453 61.453 62.749 -1.296 25564 2161 1 4 . 1 1 97 97 THR CB C 97 69.742 69.742 69.598 0.144 25564 2162 1 4 . 1 1 97 97 THR H H 97 8.740 8.740 8.822 -0.082 25564 2163 1 4 . 1 1 98 98 THR N N 98 110.068 110.068 119.919 -9.851 25564 2164 1 4 . 1 1 98 98 THR HA H 98 4.270 4.270 4.143 0.127 25564 2165 1 4 . 1 1 98 98 THR C C 98 173.859 173.859 174.875 -1.016 25564 2166 1 4 . 1 1 98 98 THR CA C 98 62.659 62.659 64.143 -1.484 25564 2167 1 4 . 1 1 98 98 THR CB C 98 69.654 69.654 69.004 0.650 25564 2168 1 4 . 1 1 98 98 THR H H 98 7.287 7.287 8.460 -1.173 25564 2169 1 4 . 1 1 99 99 GLY N N 99 103.540 103.540 108.761 -5.221 25564 2170 1 4 . 1 1 99 99 GLY C C 99 174.225 174.225 172.507 1.718 25564 2171 1 4 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.778 0.177 25564 2172 1 4 . 1 1 99 99 GLY H H 99 8.033 8.033 8.042 -0.009 25564 2173 1 4 . 1 1 100 100 THR N N 100 114.887 114.887 116.414 -1.527 25564 2174 1 4 . 1 1 100 100 THR HA H 100 4.623 4.623 4.629 -0.006 25564 2175 1 4 . 1 1 100 100 THR C C 100 172.336 172.336 172.855 -0.519 25564 2176 1 4 . 1 1 100 100 THR CA C 100 59.775 59.775 59.897 -0.122 25564 2177 1 4 . 1 1 100 100 THR CB C 100 70.644 70.644 70.426 0.218 25564 2178 1 4 . 1 1 100 100 THR H H 100 8.055 8.055 8.079 -0.024 25564 2179 1 4 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.469 0.030 25564 2180 1 4 . 1 1 101 101 PRO C C 101 177.344 177.344 175.442 1.902 25564 2181 1 4 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.050 0.058 25564 2182 1 4 . 1 1 101 101 PRO CB C 101 32.286 32.286 30.027 2.259 25564 2183 1 4 . 1 1 102 102 ARG N N 102 122.476 122.476 122.440 0.036 25564 2184 1 4 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.353 -0.039 25564 2185 1 4 . 1 1 102 102 ARG C C 102 176.790 176.790 175.839 0.951 25564 2186 1 4 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.453 -0.049 25564 2187 1 4 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.991 0.274 25564 2188 1 4 . 1 1 102 102 ARG H H 102 8.771 8.771 8.197 0.574 25564 2189 1 4 . 1 1 103 103 SER HA H 103 4.523 4.523 4.295 0.228 25564 2190 1 4 . 1 1 103 103 SER CA C 103 58.311 58.311 59.029 -0.718 25564 2191 1 4 . 1 1 103 103 SER CB C 103 64.168 64.168 61.737 2.431 25564 2192 1 4 . 1 1 104 104 ASP N N 104 122.461 122.461 119.785 2.676 25564 2193 1 4 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.546 0.102 25564 2194 1 4 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.838 0.728 25564 2195 1 4 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.776 -0.393 25564 2196 1 4 . 1 1 104 104 ASP H H 104 8.418 8.418 8.207 0.211 25564 2197 1 4 . 1 1 105 105 GLY N N 105 109.250 109.250 108.696 0.554 25564 2198 1 4 . 1 1 105 105 GLY C C 105 173.987 173.987 174.450 -0.463 25564 2199 1 4 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.191 0.581 25564 2200 1 4 . 1 1 105 105 GLY H H 105 8.390 8.390 8.786 -0.396 25564 2201 1 5 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.655 -0.032 25564 2202 1 5 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.492 1.444 25564 2203 1 5 . 1 1 3 3 HIS CB C 3 31.271 31.271 29.554 1.717 25564 2204 1 5 . 1 1 7 7 THR HA H 7 4.470 4.470 4.285 0.185 25564 2205 1 5 . 1 1 7 7 THR CA C 7 61.923 61.923 62.072 -0.149 25564 2206 1 5 . 1 1 7 7 THR CB C 7 70.142 70.142 68.894 1.248 25564 2207 1 5 . 1 1 8 8 THR N N 8 116.706 116.706 121.170 -4.464 25564 2208 1 5 . 1 1 8 8 THR HA H 8 4.371 4.371 4.203 0.168 25564 2209 1 5 . 1 1 8 8 THR C C 8 173.590 173.590 173.784 -0.194 25564 2210 1 5 . 1 1 8 8 THR CA C 8 61.606 61.606 63.272 -1.665 25564 2211 1 5 . 1 1 8 8 THR CB C 8 70.303 70.303 69.244 1.059 25564 2212 1 5 . 1 1 8 8 THR H H 8 8.238 8.238 8.421 -0.183 25564 2213 1 5 . 1 1 9 9 ALA N N 9 127.030 127.030 129.717 -2.687 25564 2214 1 5 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.689 -0.396 25564 2215 1 5 . 1 1 9 9 ALA C C 9 175.005 175.005 175.258 -0.253 25564 2216 1 5 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.342 0.471 25564 2217 1 5 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.909 -1.479 25564 2218 1 5 . 1 1 9 9 ALA H H 9 8.220 8.220 8.114 0.106 25564 2219 1 5 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.610 -0.281 25564 2220 1 5 . 1 1 10 10 PRO C C 10 175.138 175.138 175.442 -0.304 25564 2221 1 5 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.562 0.235 25564 2222 1 5 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.946 -1.109 25564 2223 1 5 . 1 1 11 11 ASP N N 11 116.244 116.244 118.310 -2.066 25564 2224 1 5 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.818 -0.408 25564 2225 1 5 . 1 1 11 11 ASP C C 11 174.009 174.009 174.824 -0.815 25564 2226 1 5 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.066 0.317 25564 2227 1 5 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.267 -4.438 25564 2228 1 5 . 1 1 11 11 ASP H H 11 9.038 9.038 8.213 0.825 25564 2229 1 5 . 1 1 12 12 ALA N N 12 120.012 120.012 123.114 -3.102 25564 2230 1 5 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.674 -0.207 25564 2231 1 5 . 1 1 12 12 ALA C C 12 175.669 175.669 175.215 0.454 25564 2232 1 5 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.952 0.288 25564 2233 1 5 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.905 -0.995 25564 2234 1 5 . 1 1 12 12 ALA H H 12 7.944 7.944 8.185 -0.241 25564 2235 1 5 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.037 -0.548 25564 2236 1 5 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.606 -0.281 25564 2237 1 5 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.282 0.547 25564 2238 1 5 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.270 0.216 25564 2239 1 5 . 1 1 14 14 PRO C C 14 175.966 175.966 176.545 -0.579 25564 2240 1 5 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.882 0.113 25564 2241 1 5 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.475 0.154 25564 2242 1 5 . 1 1 15 15 ASP N N 15 117.405 117.405 120.418 -3.013 25564 2243 1 5 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.405 0.153 25564 2244 1 5 . 1 1 15 15 ASP C C 15 173.011 173.011 175.086 -2.075 25564 2245 1 5 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.725 0.505 25564 2246 1 5 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.155 0.167 25564 2247 1 5 . 1 1 15 15 ASP H H 15 8.470 8.470 8.533 -0.063 25564 2248 1 5 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.733 0.619 25564 2249 1 5 . 1 1 16 16 PRO C C 16 177.534 177.534 176.472 1.062 25564 2250 1 5 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.074 0.530 25564 2251 1 5 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.856 -1.372 25564 2252 1 5 . 1 1 17 17 THR N N 17 117.955 117.955 118.954 -0.999 25564 2253 1 5 . 1 1 17 17 THR HA H 17 4.563 4.563 4.565 -0.002 25564 2254 1 5 . 1 1 17 17 THR C C 17 172.578 172.578 173.785 -1.207 25564 2255 1 5 . 1 1 17 17 THR CA C 17 61.093 61.093 61.245 -0.152 25564 2256 1 5 . 1 1 17 17 THR CB C 17 72.478 72.478 70.434 2.044 25564 2257 1 5 . 1 1 17 17 THR H H 17 9.415 9.415 8.619 0.796 25564 2258 1 5 . 1 1 18 18 VAL N N 18 124.494 124.494 127.701 -3.207 25564 2259 1 5 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.344 0.028 25564 2260 1 5 . 1 1 18 18 VAL C C 18 175.392 175.392 176.053 -0.661 25564 2261 1 5 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.262 0.588 25564 2262 1 5 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.962 0.112 25564 2263 1 5 . 1 1 18 18 VAL H H 18 8.645 8.645 8.706 -0.061 25564 2264 1 5 . 1 1 19 19 ASP N N 19 129.904 129.904 128.441 1.463 25564 2265 1 5 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.636 0.087 25564 2266 1 5 . 1 1 19 19 ASP C C 19 175.427 175.427 175.759 -0.332 25564 2267 1 5 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.215 -0.312 25564 2268 1 5 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.206 2.065 25564 2269 1 5 . 1 1 19 19 ASP H H 19 8.805 8.805 8.781 0.024 25564 2270 1 5 . 1 1 20 20 GLN N N 20 115.835 115.835 119.022 -3.187 25564 2271 1 5 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.660 -0.210 25564 2272 1 5 . 1 1 20 20 GLN C C 20 173.593 173.593 174.040 -0.447 25564 2273 1 5 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.549 1.396 25564 2274 1 5 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.182 -0.193 25564 2275 1 5 . 1 1 20 20 GLN H H 20 7.431 7.431 7.575 -0.144 25564 2276 1 5 . 1 1 21 21 VAL N N 21 122.956 122.956 124.428 -1.472 25564 2277 1 5 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.319 0.400 25564 2278 1 5 . 1 1 21 21 VAL C C 21 173.753 173.753 174.757 -1.004 25564 2279 1 5 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.253 0.066 25564 2280 1 5 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.073 1.930 25564 2281 1 5 . 1 1 21 21 VAL H H 21 8.317 8.317 8.501 -0.184 25564 2282 1 5 . 1 1 22 22 ASP N N 22 129.722 129.722 127.144 2.578 25564 2283 1 5 . 1 1 22 22 ASP HA H 22 4.754 4.754 4.923 -0.169 25564 2284 1 5 . 1 1 22 22 ASP C C 22 176.114 176.114 176.219 -0.105 25564 2285 1 5 . 1 1 22 22 ASP CA C 22 53.639 53.639 51.543 2.096 25564 2286 1 5 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.132 -2.755 25564 2287 1 5 . 1 1 22 22 ASP H H 22 8.778 8.778 8.889 -0.111 25564 2288 1 5 . 1 1 23 23 ASP N N 23 115.970 115.970 117.830 -1.860 25564 2289 1 5 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.590 0.044 25564 2290 1 5 . 1 1 23 23 ASP C C 23 175.820 175.820 176.808 -0.988 25564 2291 1 5 . 1 1 23 23 ASP CA C 23 56.327 56.327 56.938 -0.611 25564 2292 1 5 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.565 -0.659 25564 2293 1 5 . 1 1 23 23 ASP H H 23 8.049 8.049 8.567 -0.518 25564 2294 1 5 . 1 1 24 24 THR N N 24 97.756 97.756 108.441 -10.685 25564 2295 1 5 . 1 1 24 24 THR HA H 24 4.566 4.566 4.525 0.041 25564 2296 1 5 . 1 1 24 24 THR C C 24 174.274 174.274 173.112 1.162 25564 2297 1 5 . 1 1 24 24 THR CA C 24 59.595 59.595 61.023 -1.427 25564 2298 1 5 . 1 1 24 24 THR CB C 24 71.670 71.670 69.172 2.498 25564 2299 1 5 . 1 1 24 24 THR H H 24 7.392 7.392 7.779 -0.387 25564 2300 1 5 . 1 1 25 25 SER N N 25 116.249 116.249 116.048 0.201 25564 2301 1 5 . 1 1 25 25 SER HA H 25 5.440 5.440 5.546 -0.106 25564 2302 1 5 . 1 1 25 25 SER C C 25 171.891 171.891 172.449 -0.558 25564 2303 1 5 . 1 1 25 25 SER CA C 25 57.670 57.670 58.115 -0.445 25564 2304 1 5 . 1 1 25 25 SER CB C 25 67.439 67.439 65.971 1.469 25564 2305 1 5 . 1 1 25 25 SER H H 25 7.693 7.693 7.639 0.054 25564 2306 1 5 . 1 1 26 26 ILE N N 26 118.594 118.594 123.934 -5.340 25564 2307 1 5 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.899 -0.485 25564 2308 1 5 . 1 1 26 26 ILE C C 26 174.020 174.020 173.729 0.291 25564 2309 1 5 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.669 0.465 25564 2310 1 5 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.902 2.186 25564 2311 1 5 . 1 1 26 26 ILE H H 26 8.141 8.141 8.845 -0.704 25564 2312 1 5 . 1 1 27 27 VAL N N 27 126.778 126.778 126.513 0.265 25564 2313 1 5 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.049 -0.076 25564 2314 1 5 . 1 1 27 27 VAL C C 27 175.692 175.692 174.523 1.169 25564 2315 1 5 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.958 0.491 25564 2316 1 5 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.044 -0.230 25564 2317 1 5 . 1 1 27 27 VAL H H 27 8.642 8.642 8.801 -0.159 25564 2318 1 5 . 1 1 28 28 VAL N N 28 127.624 127.624 123.801 3.823 25564 2319 1 5 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.022 -0.162 25564 2320 1 5 . 1 1 28 28 VAL C C 28 173.467 173.467 173.836 -0.369 25564 2321 1 5 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.199 1.255 25564 2322 1 5 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.725 -0.773 25564 2323 1 5 . 1 1 28 28 VAL H H 28 8.656 8.656 8.980 -0.324 25564 2324 1 5 . 1 1 29 29 ARG N N 29 123.905 123.905 124.842 -0.937 25564 2325 1 5 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.924 -0.207 25564 2326 1 5 . 1 1 29 29 ARG C C 29 174.147 174.147 175.115 -0.968 25564 2327 1 5 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.557 0.309 25564 2328 1 5 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.972 1.219 25564 2329 1 5 . 1 1 29 29 ARG H H 29 9.075 9.075 8.461 0.614 25564 2330 1 5 . 1 1 30 30 TRP N N 30 116.284 116.284 123.768 -7.484 25564 2331 1 5 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.104 -0.258 25564 2332 1 5 . 1 1 30 30 TRP C C 30 174.778 174.778 175.629 -0.851 25564 2333 1 5 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.812 2.724 25564 2334 1 5 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.772 -0.474 25564 2335 1 5 . 1 1 30 30 TRP H H 30 7.512 7.512 7.921 -0.409 25564 2336 1 5 . 1 1 31 31 SER HA H 31 4.747 4.747 4.599 0.148 25564 2337 1 5 . 1 1 31 31 SER C C 31 172.773 172.773 174.369 -1.596 25564 2338 1 5 . 1 1 31 31 SER CA C 31 57.875 57.875 57.978 -0.103 25564 2339 1 5 . 1 1 31 31 SER CB C 31 64.093 64.093 63.026 1.067 25564 2340 1 5 . 1 1 32 32 ARG N N 32 122.062 122.062 125.522 -3.460 25564 2341 1 5 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.634 0.245 25564 2342 1 5 . 1 1 32 32 ARG C C 32 175.788 175.788 175.082 0.706 25564 2343 1 5 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.052 -0.767 25564 2344 1 5 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.298 2.122 25564 2345 1 5 . 1 1 32 32 ARG H H 32 8.337 8.337 7.951 0.386 25564 2346 1 5 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.572 -0.096 25564 2347 1 5 . 1 1 33 33 PRO C C 33 175.739 175.739 176.775 -1.036 25564 2348 1 5 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.063 0.903 25564 2349 1 5 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.796 0.179 25564 2350 1 5 . 1 1 34 34 GLN N N 34 122.510 122.510 119.031 3.479 25564 2351 1 5 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.366 -0.212 25564 2352 1 5 . 1 1 34 34 GLN C C 34 177.396 177.396 176.044 1.352 25564 2353 1 5 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.980 0.523 25564 2354 1 5 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.628 1.018 25564 2355 1 5 . 1 1 34 34 GLN H H 34 10.310 10.310 8.656 1.654 25564 2356 1 5 . 1 1 35 35 ALA N N 35 123.797 123.797 122.933 0.864 25564 2357 1 5 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.410 0.068 25564 2358 1 5 . 1 1 35 35 ALA C C 35 174.959 174.959 175.837 -0.878 25564 2359 1 5 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.547 0.320 25564 2360 1 5 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.927 0.243 25564 2361 1 5 . 1 1 35 35 ALA H H 35 8.725 8.725 7.614 1.111 25564 2362 1 5 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.525 0.058 25564 2363 1 5 . 1 1 36 36 PRO C C 36 175.555 175.555 175.736 -0.181 25564 2364 1 5 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.976 0.026 25564 2365 1 5 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.350 -1.375 25564 2366 1 5 . 1 1 37 37 ILE N N 37 114.656 114.656 118.804 -4.148 25564 2367 1 5 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.652 -0.252 25564 2368 1 5 . 1 1 37 37 ILE C C 37 176.204 176.204 175.588 0.616 25564 2369 1 5 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.117 1.994 25564 2370 1 5 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.617 1.025 25564 2371 1 5 . 1 1 37 37 ILE H H 37 7.946 7.946 7.916 0.030 25564 2372 1 5 . 1 1 38 38 THR N N 38 109.332 109.332 113.719 -4.387 25564 2373 1 5 . 1 1 38 38 THR HA H 38 4.576 4.576 4.697 -0.121 25564 2374 1 5 . 1 1 38 38 THR C C 38 175.325 175.325 175.477 -0.152 25564 2375 1 5 . 1 1 38 38 THR CA C 38 61.858 61.858 62.131 -0.273 25564 2376 1 5 . 1 1 38 38 THR CB C 38 69.971 69.971 70.785 -0.814 25564 2377 1 5 . 1 1 38 38 THR H H 38 9.767 9.767 9.025 0.742 25564 2378 1 5 . 1 1 39 39 GLY N N 39 109.326 109.326 109.667 -0.341 25564 2379 1 5 . 1 1 39 39 GLY C C 39 169.390 169.390 171.731 -2.341 25564 2380 1 5 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.062 -0.423 25564 2381 1 5 . 1 1 39 39 GLY H H 39 7.641 7.641 8.011 -0.370 25564 2382 1 5 . 1 1 40 40 TYR N N 40 113.638 113.638 118.114 -4.476 25564 2383 1 5 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.698 -0.346 25564 2384 1 5 . 1 1 40 40 TYR C C 40 174.719 174.719 175.065 -0.346 25564 2385 1 5 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.585 0.404 25564 2386 1 5 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.019 0.300 25564 2387 1 5 . 1 1 40 40 TYR H H 40 8.470 8.470 8.733 -0.263 25564 2388 1 5 . 1 1 41 41 ARG N N 41 125.140 125.140 121.761 3.379 25564 2389 1 5 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.250 0.032 25564 2390 1 5 . 1 1 41 41 ARG C C 41 173.714 173.714 175.072 -1.358 25564 2391 1 5 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.953 1.816 25564 2392 1 5 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.599 2.102 25564 2393 1 5 . 1 1 41 41 ARG H H 41 9.148 9.148 8.915 0.233 25564 2394 1 5 . 1 1 42 42 ILE N N 42 126.999 126.999 121.858 5.141 25564 2395 1 5 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.064 0.278 25564 2396 1 5 . 1 1 42 42 ILE C C 42 174.706 174.706 174.938 -0.232 25564 2397 1 5 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.860 -2.077 25564 2398 1 5 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.684 -0.291 25564 2399 1 5 . 1 1 42 42 ILE H H 42 9.237 9.237 8.738 0.499 25564 2400 1 5 . 1 1 43 43 VAL N N 43 126.775 126.775 129.016 -2.241 25564 2401 1 5 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.927 0.421 25564 2402 1 5 . 1 1 43 43 VAL C C 43 175.795 175.795 175.436 0.359 25564 2403 1 5 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.053 -0.449 25564 2404 1 5 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.012 2.167 25564 2405 1 5 . 1 1 43 43 VAL H H 43 9.369 9.369 9.110 0.259 25564 2406 1 5 . 1 1 44 44 TYR N N 44 122.788 122.788 126.479 -3.691 25564 2407 1 5 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.054 0.190 25564 2408 1 5 . 1 1 44 44 TYR C C 44 174.353 174.353 175.019 -0.666 25564 2409 1 5 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.337 1.073 25564 2410 1 5 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.731 3.619 25564 2411 1 5 . 1 1 44 44 TYR H H 44 9.253 9.253 8.762 0.491 25564 2412 1 5 . 1 1 45 45 SER N N 45 114.339 114.339 116.062 -1.723 25564 2413 1 5 . 1 1 45 45 SER HA H 45 5.208 5.208 5.001 0.207 25564 2414 1 5 . 1 1 45 45 SER C C 45 171.693 171.693 172.438 -0.745 25564 2415 1 5 . 1 1 45 45 SER CA C 45 55.870 55.870 55.272 0.598 25564 2416 1 5 . 1 1 45 45 SER CB C 45 65.646 65.646 65.289 0.357 25564 2417 1 5 . 1 1 45 45 SER H H 45 8.797 8.797 9.014 -0.217 25564 2418 1 5 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.675 -0.289 25564 2419 1 5 . 1 1 46 46 PRO C C 46 177.666 177.666 177.008 0.658 25564 2420 1 5 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.872 0.820 25564 2421 1 5 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.171 -0.154 25564 2422 1 5 . 1 1 47 47 SER N N 47 118.732 118.732 118.592 0.140 25564 2423 1 5 . 1 1 47 47 SER HA H 47 4.069 4.069 4.175 -0.106 25564 2424 1 5 . 1 1 47 47 SER C C 47 175.055 175.055 175.310 -0.255 25564 2425 1 5 . 1 1 47 47 SER CA C 47 60.992 60.992 60.870 0.122 25564 2426 1 5 . 1 1 47 47 SER CB C 47 63.541 63.541 63.536 0.005 25564 2427 1 5 . 1 1 47 47 SER H H 47 8.648 8.648 8.648 0.000 25564 2428 1 5 . 1 1 48 48 VAL N N 48 117.213 117.213 114.661 2.552 25564 2429 1 5 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.162 -0.080 25564 2430 1 5 . 1 1 48 48 VAL C C 48 175.456 175.456 174.836 0.620 25564 2431 1 5 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.117 0.870 25564 2432 1 5 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.367 -0.498 25564 2433 1 5 . 1 1 48 48 VAL H H 48 7.640 7.640 7.636 0.004 25564 2434 1 5 . 1 1 49 49 GLU N N 49 119.528 119.528 119.498 0.030 25564 2435 1 5 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.355 -0.207 25564 2436 1 5 . 1 1 49 49 GLU C C 49 176.081 176.081 174.537 1.544 25564 2437 1 5 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.821 0.353 25564 2438 1 5 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.814 -0.646 25564 2439 1 5 . 1 1 49 49 GLU H H 49 8.150 8.150 7.769 0.381 25564 2440 1 5 . 1 1 50 50 GLY N N 50 108.013 108.013 110.581 -2.568 25564 2441 1 5 . 1 1 50 50 GLY C C 50 173.617 173.617 173.042 0.575 25564 2442 1 5 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.767 0.644 25564 2443 1 5 . 1 1 50 50 GLY H H 50 8.144 8.144 8.017 0.127 25564 2444 1 5 . 1 1 51 51 SER N N 51 115.893 115.893 118.315 -2.422 25564 2445 1 5 . 1 1 51 51 SER HA H 51 4.604 4.604 4.797 -0.193 25564 2446 1 5 . 1 1 51 51 SER CA C 51 58.145 58.145 56.813 1.332 25564 2447 1 5 . 1 1 51 51 SER CB C 51 64.429 64.429 64.009 0.420 25564 2448 1 5 . 1 1 51 51 SER H H 51 8.248 8.248 8.570 -0.322 25564 2449 1 5 . 1 1 52 52 SER HA H 52 4.795 4.795 5.530 -0.735 25564 2450 1 5 . 1 1 52 52 SER C C 52 173.840 173.840 173.918 -0.078 25564 2451 1 5 . 1 1 52 52 SER CA C 52 58.319 58.319 56.978 1.341 25564 2452 1 5 . 1 1 52 52 SER CB C 52 65.231 65.231 65.318 -0.087 25564 2453 1 5 . 1 1 53 53 THR N N 53 121.052 121.052 118.005 3.047 25564 2454 1 5 . 1 1 53 53 THR HA H 53 4.294 4.294 4.423 -0.129 25564 2455 1 5 . 1 1 53 53 THR C C 53 171.241 171.241 171.798 -0.557 25564 2456 1 5 . 1 1 53 53 THR CA C 53 62.799 62.799 61.589 1.210 25564 2457 1 5 . 1 1 53 53 THR CB C 53 70.995 70.995 72.397 -1.402 25564 2458 1 5 . 1 1 53 53 THR H H 53 8.344 8.344 8.344 0.000 25564 2459 1 5 . 1 1 54 54 GLU N N 54 125.190 125.190 125.235 -0.045 25564 2460 1 5 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.517 0.097 25564 2461 1 5 . 1 1 54 54 GLU C C 54 175.175 175.175 175.636 -0.461 25564 2462 1 5 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.384 0.128 25564 2463 1 5 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.155 2.516 25564 2464 1 5 . 1 1 54 54 GLU H H 54 8.458 8.458 8.442 0.016 25564 2465 1 5 . 1 1 55 55 LEU N N 55 125.745 125.745 126.626 -0.881 25564 2466 1 5 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.653 0.202 25564 2467 1 5 . 1 1 55 55 LEU C C 55 175.121 175.121 175.288 -0.167 25564 2468 1 5 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.950 0.056 25564 2469 1 5 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.488 1.248 25564 2470 1 5 . 1 1 55 55 LEU H H 55 9.755 9.755 8.695 1.060 25564 2471 1 5 . 1 1 56 56 ASN N N 56 120.517 120.517 120.774 -0.257 25564 2472 1 5 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.545 0.019 25564 2473 1 5 . 1 1 56 56 ASN C C 56 174.180 174.180 174.152 0.028 25564 2474 1 5 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.255 1.020 25564 2475 1 5 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.964 1.487 25564 2476 1 5 . 1 1 56 56 ASN H H 56 8.727 8.727 8.515 0.212 25564 2477 1 5 . 1 1 57 57 LEU N N 57 123.534 123.534 126.460 -2.926 25564 2478 1 5 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.052 0.083 25564 2479 1 5 . 1 1 57 57 LEU C C 57 174.960 174.960 175.019 -0.059 25564 2480 1 5 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.528 0.597 25564 2481 1 5 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.402 0.406 25564 2482 1 5 . 1 1 57 57 LEU H H 57 9.075 9.075 8.708 0.367 25564 2483 1 5 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.598 0.458 25564 2484 1 5 . 1 1 58 58 PRO C C 58 176.897 176.897 178.403 -1.506 25564 2485 1 5 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.526 0.064 25564 2486 1 5 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.213 1.654 25564 2487 1 5 . 1 1 59 59 GLU N N 59 117.522 117.522 120.649 -3.127 25564 2488 1 5 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.167 -0.186 25564 2489 1 5 . 1 1 59 59 GLU C C 59 175.246 175.246 176.653 -1.407 25564 2490 1 5 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.761 -0.856 25564 2491 1 5 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.818 0.106 25564 2492 1 5 . 1 1 59 59 GLU H H 59 8.905 8.905 8.773 0.132 25564 2493 1 5 . 1 1 60 60 THR N N 60 106.153 106.153 112.383 -6.230 25564 2494 1 5 . 1 1 60 60 THR HA H 60 4.155 4.155 4.433 -0.278 25564 2495 1 5 . 1 1 60 60 THR C C 60 175.087 175.087 173.442 1.645 25564 2496 1 5 . 1 1 60 60 THR CA C 60 61.646 61.646 60.687 0.959 25564 2497 1 5 . 1 1 60 60 THR CB C 60 69.638 69.638 67.877 1.761 25564 2498 1 5 . 1 1 60 60 THR H H 60 7.056 7.056 7.935 -0.879 25564 2499 1 5 . 1 1 61 61 ALA N N 61 125.590 125.590 124.458 1.132 25564 2500 1 5 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.263 0.087 25564 2501 1 5 . 1 1 61 61 ALA C C 61 176.988 176.988 175.631 1.357 25564 2502 1 5 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.058 1.412 25564 2503 1 5 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.072 1.152 25564 2504 1 5 . 1 1 61 61 ALA H H 61 7.808 7.808 8.353 -0.545 25564 2505 1 5 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.513 0.150 25564 2506 1 5 . 1 1 62 62 ASN C C 62 171.666 171.666 172.544 -0.878 25564 2507 1 5 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.065 0.113 25564 2508 1 5 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.906 -0.230 25564 2509 1 5 . 1 1 63 63 SER N N 63 109.802 109.802 113.835 -4.033 25564 2510 1 5 . 1 1 63 63 SER HA H 63 4.341 4.341 4.469 -0.128 25564 2511 1 5 . 1 1 63 63 SER C C 63 172.378 172.378 172.591 -0.213 25564 2512 1 5 . 1 1 63 63 SER CA C 63 56.541 56.541 57.207 -0.666 25564 2513 1 5 . 1 1 63 63 SER CB C 63 65.498 65.498 65.477 0.021 25564 2514 1 5 . 1 1 63 63 SER H H 63 6.764 6.764 6.699 0.065 25564 2515 1 5 . 1 1 64 64 VAL N N 64 117.873 117.873 122.440 -4.567 25564 2516 1 5 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.431 0.009 25564 2517 1 5 . 1 1 64 64 VAL C C 64 171.395 171.395 174.405 -3.010 25564 2518 1 5 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.350 1.394 25564 2519 1 5 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.551 -0.460 25564 2520 1 5 . 1 1 64 64 VAL H H 64 8.793 8.793 8.859 -0.066 25564 2521 1 5 . 1 1 65 65 THR N N 65 123.328 123.328 124.834 -1.506 25564 2522 1 5 . 1 1 65 65 THR HA H 65 4.703 4.703 4.560 0.143 25564 2523 1 5 . 1 1 65 65 THR C C 65 173.608 173.608 174.054 -0.446 25564 2524 1 5 . 1 1 65 65 THR CA C 65 62.094 62.094 62.130 -0.035 25564 2525 1 5 . 1 1 65 65 THR CB C 65 69.754 69.754 68.309 1.445 25564 2526 1 5 . 1 1 65 65 THR H H 65 8.377 8.377 8.461 -0.084 25564 2527 1 5 . 1 1 66 66 LEU N N 66 130.029 130.029 127.783 2.246 25564 2528 1 5 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.249 0.102 25564 2529 1 5 . 1 1 66 66 LEU C C 66 174.738 174.738 176.084 -1.346 25564 2530 1 5 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.667 -1.109 25564 2531 1 5 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.861 -0.655 25564 2532 1 5 . 1 1 66 66 LEU H H 66 9.232 9.232 8.603 0.629 25564 2533 1 5 . 1 1 67 67 SER N N 67 117.107 117.107 115.092 2.015 25564 2534 1 5 . 1 1 67 67 SER HA H 67 4.936 4.936 5.063 -0.127 25564 2535 1 5 . 1 1 67 67 SER C C 67 172.509 172.509 174.024 -1.515 25564 2536 1 5 . 1 1 67 67 SER CA C 67 57.340 57.340 56.657 0.683 25564 2537 1 5 . 1 1 67 67 SER CB C 67 66.115 66.115 65.849 0.266 25564 2538 1 5 . 1 1 67 67 SER H H 67 8.174 8.174 8.298 -0.124 25564 2539 1 5 . 1 1 68 68 ASP N N 68 116.924 116.924 118.924 -2.000 25564 2540 1 5 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.295 0.059 25564 2541 1 5 . 1 1 68 68 ASP C C 68 175.654 175.654 175.584 0.070 25564 2542 1 5 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.637 -0.035 25564 2543 1 5 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.502 0.212 25564 2544 1 5 . 1 1 68 68 ASP H H 68 9.003 9.003 8.263 0.740 25564 2545 1 5 . 1 1 69 69 LEU N N 69 116.713 116.713 116.875 -0.162 25564 2546 1 5 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.069 0.267 25564 2547 1 5 . 1 1 69 69 LEU C C 69 175.793 175.793 177.143 -1.350 25564 2548 1 5 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.299 -1.752 25564 2549 1 5 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.401 -1.367 25564 2550 1 5 . 1 1 69 69 LEU H H 69 8.605 8.605 7.003 1.602 25564 2551 1 5 . 1 1 70 70 GLN N N 70 118.301 118.301 118.912 -0.611 25564 2552 1 5 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.849 -0.083 25564 2553 1 5 . 1 1 70 70 GLN C C 70 174.178 174.178 173.662 0.516 25564 2554 1 5 . 1 1 70 70 GLN CA C 70 52.948 52.948 51.911 1.037 25564 2555 1 5 . 1 1 70 70 GLN CB C 70 30.626 30.626 30.951 -0.325 25564 2556 1 5 . 1 1 70 70 GLN H H 70 8.288 8.288 8.290 -0.002 25564 2557 1 5 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.177 1.075 25564 2558 1 5 . 1 1 71 71 PRO C C 71 177.837 177.837 177.476 0.361 25564 2559 1 5 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.457 -0.359 25564 2560 1 5 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.782 1.611 25564 2561 1 5 . 1 1 72 72 GLY N N 72 111.077 111.077 111.583 -0.506 25564 2562 1 5 . 1 1 72 72 GLY C C 72 174.621 174.621 173.441 1.180 25564 2563 1 5 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.234 1.992 25564 2564 1 5 . 1 1 72 72 GLY H H 72 7.348 7.348 8.505 -1.157 25564 2565 1 5 . 1 1 73 73 VAL N N 73 120.434 120.434 118.761 1.673 25564 2566 1 5 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.328 -0.216 25564 2567 1 5 . 1 1 73 73 VAL C C 73 173.963 173.963 174.637 -0.674 25564 2568 1 5 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.746 0.948 25564 2569 1 5 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.113 0.310 25564 2570 1 5 . 1 1 73 73 VAL H H 73 7.670 7.670 8.237 -0.567 25564 2571 1 5 . 1 1 74 74 GLN N N 74 123.606 123.606 124.196 -0.590 25564 2572 1 5 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.509 -0.302 25564 2573 1 5 . 1 1 74 74 GLN C C 74 174.283 174.283 174.449 -0.166 25564 2574 1 5 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.172 1.333 25564 2575 1 5 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.063 1.412 25564 2576 1 5 . 1 1 74 74 GLN H H 74 8.263 8.263 8.657 -0.394 25564 2577 1 5 . 1 1 75 75 TYR N N 75 127.153 127.153 127.287 -0.134 25564 2578 1 5 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.917 -0.177 25564 2579 1 5 . 1 1 75 75 TYR C C 75 174.412 174.412 174.771 -0.359 25564 2580 1 5 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.130 2.053 25564 2581 1 5 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.511 0.370 25564 2582 1 5 . 1 1 75 75 TYR H H 75 8.916 8.916 8.937 -0.021 25564 2583 1 5 . 1 1 76 76 ASN N N 76 120.363 120.363 123.803 -3.440 25564 2584 1 5 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.911 0.282 25564 2585 1 5 . 1 1 76 76 ASN C C 76 174.903 174.903 174.306 0.597 25564 2586 1 5 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.353 -0.514 25564 2587 1 5 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.761 0.578 25564 2588 1 5 . 1 1 76 76 ASN H H 76 9.014 9.014 8.975 0.039 25564 2589 1 5 . 1 1 77 77 ILE N N 77 127.376 127.376 128.023 -0.647 25564 2590 1 5 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.403 0.245 25564 2591 1 5 . 1 1 77 77 ILE C C 77 173.510 173.510 174.946 -1.436 25564 2592 1 5 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.029 0.327 25564 2593 1 5 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.147 2.764 25564 2594 1 5 . 1 1 77 77 ILE H H 77 9.466 9.466 8.990 0.476 25564 2595 1 5 . 1 1 78 78 THR N N 78 124.282 124.282 126.554 -2.272 25564 2596 1 5 . 1 1 78 78 THR HA H 78 5.117 5.117 5.429 -0.312 25564 2597 1 5 . 1 1 78 78 THR C C 78 173.140 173.140 173.773 -0.633 25564 2598 1 5 . 1 1 78 78 THR CA C 78 61.961 61.961 61.240 0.721 25564 2599 1 5 . 1 1 78 78 THR CB C 78 70.244 70.244 69.638 0.606 25564 2600 1 5 . 1 1 78 78 THR H H 78 9.535 9.535 8.875 0.660 25564 2601 1 5 . 1 1 79 79 ILE N N 79 125.033 125.033 125.821 -0.788 25564 2602 1 5 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.301 0.290 25564 2603 1 5 . 1 1 79 79 ILE C C 79 173.827 173.827 174.798 -0.971 25564 2604 1 5 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.424 2.324 25564 2605 1 5 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.507 2.763 25564 2606 1 5 . 1 1 79 79 ILE H H 79 8.974 8.974 8.312 0.662 25564 2607 1 5 . 1 1 80 80 TYR N N 80 122.647 122.647 123.809 -1.162 25564 2608 1 5 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.571 -0.052 25564 2609 1 5 . 1 1 80 80 TYR C C 80 177.072 177.072 174.044 3.028 25564 2610 1 5 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.952 0.449 25564 2611 1 5 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.199 0.701 25564 2612 1 5 . 1 1 80 80 TYR H H 80 9.137 9.137 8.861 0.276 25564 2613 1 5 . 1 1 81 81 ALA N N 81 124.412 124.412 127.420 -3.008 25564 2614 1 5 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.300 1.453 25564 2615 1 5 . 1 1 81 81 ALA C C 81 175.811 175.811 174.986 0.825 25564 2616 1 5 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.121 0.536 25564 2617 1 5 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.205 2.111 25564 2618 1 5 . 1 1 81 81 ALA H H 81 8.764 8.764 8.792 -0.028 25564 2619 1 5 . 1 1 82 82 VAL N N 82 120.278 120.278 124.495 -4.217 25564 2620 1 5 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.404 0.209 25564 2621 1 5 . 1 1 82 82 VAL C C 82 174.662 174.662 174.106 0.556 25564 2622 1 5 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.442 0.737 25564 2623 1 5 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.408 -0.737 25564 2624 1 5 . 1 1 82 82 VAL H H 82 8.276 8.276 8.430 -0.154 25564 2625 1 5 . 1 1 83 83 GLU N N 83 127.125 127.125 127.079 0.046 25564 2626 1 5 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.788 -0.251 25564 2627 1 5 . 1 1 83 83 GLU C C 83 175.133 175.133 177.709 -2.576 25564 2628 1 5 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.415 1.585 25564 2629 1 5 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.267 0.449 25564 2630 1 5 . 1 1 83 83 GLU H H 83 8.849 8.849 8.710 0.139 25564 2631 1 5 . 1 1 84 84 GLU N N 84 125.009 125.009 121.860 3.149 25564 2632 1 5 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.957 -0.275 25564 2633 1 5 . 1 1 84 84 GLU C C 84 174.988 174.988 177.074 -2.086 25564 2634 1 5 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.964 -0.602 25564 2635 1 5 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.420 -1.698 25564 2636 1 5 . 1 1 84 84 GLU H H 84 8.952 8.952 9.128 -0.176 25564 2637 1 5 . 1 1 85 85 ASN N N 85 119.010 119.010 114.555 4.455 25564 2638 1 5 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.827 -0.121 25564 2639 1 5 . 1 1 85 85 ASN C C 85 174.499 174.499 174.219 0.280 25564 2640 1 5 . 1 1 85 85 ASN CA C 85 53.953 53.953 52.906 1.048 25564 2641 1 5 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.537 -0.507 25564 2642 1 5 . 1 1 85 85 ASN H H 85 8.412 8.412 8.289 0.123 25564 2643 1 5 . 1 1 86 86 GLN N N 86 119.080 119.080 118.654 0.426 25564 2644 1 5 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.720 -0.116 25564 2645 1 5 . 1 1 86 86 GLN C C 86 174.270 174.270 173.693 0.577 25564 2646 1 5 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.420 0.872 25564 2647 1 5 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.368 0.643 25564 2648 1 5 . 1 1 86 86 GLN H H 86 8.086 8.086 7.554 0.531 25564 2649 1 5 . 1 1 87 87 GLU N N 87 120.589 120.589 118.822 1.767 25564 2650 1 5 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.859 0.355 25564 2651 1 5 . 1 1 87 87 GLU C C 87 176.092 176.092 175.731 0.361 25564 2652 1 5 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.229 -0.507 25564 2653 1 5 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.057 0.658 25564 2654 1 5 . 1 1 87 87 GLU H H 87 8.498 8.498 8.574 -0.076 25564 2655 1 5 . 1 1 88 88 SER N N 88 116.013 116.013 120.412 -4.399 25564 2656 1 5 . 1 1 88 88 SER HA H 88 4.547 4.547 4.488 0.059 25564 2657 1 5 . 1 1 88 88 SER C C 88 175.202 175.202 174.870 0.332 25564 2658 1 5 . 1 1 88 88 SER CA C 88 58.211 58.211 59.356 -1.145 25564 2659 1 5 . 1 1 88 88 SER CB C 88 66.959 66.959 64.280 2.679 25564 2660 1 5 . 1 1 88 88 SER H H 88 8.954 8.954 8.937 0.017 25564 2661 1 5 . 1 1 89 89 THR N N 89 114.798 114.798 114.754 0.044 25564 2662 1 5 . 1 1 89 89 THR HA H 89 4.520 4.520 4.368 0.152 25564 2663 1 5 . 1 1 89 89 THR C C 89 173.754 173.754 173.159 0.595 25564 2664 1 5 . 1 1 89 89 THR CA C 89 61.673 61.673 61.382 0.291 25564 2665 1 5 . 1 1 89 89 THR CB C 89 69.286 69.286 68.271 1.015 25564 2666 1 5 . 1 1 89 89 THR H H 89 8.559 8.559 8.291 0.268 25564 2667 1 5 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.580 -0.425 25564 2668 1 5 . 1 1 90 90 PRO C C 90 177.970 177.970 176.360 1.610 25564 2669 1 5 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.606 1.119 25564 2670 1 5 . 1 1 90 90 PRO CB C 90 32.403 32.403 33.138 -0.735 25564 2671 1 5 . 1 1 91 91 VAL N N 91 120.679 120.679 123.900 -3.221 25564 2672 1 5 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.937 0.340 25564 2673 1 5 . 1 1 91 91 VAL C C 91 173.958 173.958 174.689 -0.731 25564 2674 1 5 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.549 -0.951 25564 2675 1 5 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.786 1.161 25564 2676 1 5 . 1 1 91 91 VAL H H 91 8.189 8.189 8.424 -0.235 25564 2677 1 5 . 1 1 92 92 VAL N N 92 125.593 125.593 127.802 -2.209 25564 2678 1 5 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.571 0.436 25564 2679 1 5 . 1 1 92 92 VAL C C 92 176.045 176.045 175.508 0.537 25564 2680 1 5 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.318 0.043 25564 2681 1 5 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.174 1.960 25564 2682 1 5 . 1 1 92 92 VAL H H 92 8.300 8.300 8.518 -0.218 25564 2683 1 5 . 1 1 93 93 ILE N N 93 127.733 127.733 124.841 2.892 25564 2684 1 5 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.707 -0.291 25564 2685 1 5 . 1 1 93 93 ILE C C 93 174.071 174.071 174.450 -0.379 25564 2686 1 5 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.861 -0.023 25564 2687 1 5 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.347 2.885 25564 2688 1 5 . 1 1 93 93 ILE H H 93 9.471 9.471 8.986 0.485 25564 2689 1 5 . 1 1 94 94 GLN N N 94 123.610 123.610 127.040 -3.430 25564 2690 1 5 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.898 0.643 25564 2691 1 5 . 1 1 94 94 GLN C C 94 175.328 175.328 175.237 0.091 25564 2692 1 5 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.573 0.009 25564 2693 1 5 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.764 2.265 25564 2694 1 5 . 1 1 94 94 GLN H H 94 8.522 8.522 8.691 -0.169 25564 2695 1 5 . 1 1 95 95 GLN N N 95 123.044 123.044 124.533 -1.489 25564 2696 1 5 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.624 -0.114 25564 2697 1 5 . 1 1 95 95 GLN C C 95 173.530 173.530 174.473 -0.943 25564 2698 1 5 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.221 0.701 25564 2699 1 5 . 1 1 95 95 GLN CB C 95 32.523 32.523 31.911 0.612 25564 2700 1 5 . 1 1 95 95 GLN H H 95 8.893 8.893 8.838 0.055 25564 2701 1 5 . 1 1 96 96 GLU N N 96 128.881 128.881 126.666 2.215 25564 2702 1 5 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.744 1.000 25564 2703 1 5 . 1 1 96 96 GLU C C 96 178.926 178.926 176.649 2.277 25564 2704 1 5 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.248 -0.429 25564 2705 1 5 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.012 0.513 25564 2706 1 5 . 1 1 96 96 GLU H H 96 8.913 8.913 8.839 0.074 25564 2707 1 5 . 1 1 97 97 THR N N 97 116.022 116.022 119.606 -3.584 25564 2708 1 5 . 1 1 97 97 THR HA H 97 4.344 4.344 4.281 0.063 25564 2709 1 5 . 1 1 97 97 THR C C 97 176.660 176.660 175.540 1.120 25564 2710 1 5 . 1 1 97 97 THR CA C 97 61.453 61.453 62.755 -1.302 25564 2711 1 5 . 1 1 97 97 THR CB C 97 69.742 69.742 69.543 0.199 25564 2712 1 5 . 1 1 97 97 THR H H 97 8.740 8.740 8.738 0.002 25564 2713 1 5 . 1 1 98 98 THR N N 98 110.068 110.068 119.816 -9.748 25564 2714 1 5 . 1 1 98 98 THR HA H 98 4.270 4.270 4.131 0.139 25564 2715 1 5 . 1 1 98 98 THR C C 98 173.859 173.859 175.378 -1.519 25564 2716 1 5 . 1 1 98 98 THR CA C 98 62.659 62.659 64.371 -1.712 25564 2717 1 5 . 1 1 98 98 THR CB C 98 69.654 69.654 68.979 0.675 25564 2718 1 5 . 1 1 98 98 THR H H 98 7.287 7.287 8.228 -0.941 25564 2719 1 5 . 1 1 99 99 GLY N N 99 103.540 103.540 110.084 -6.544 25564 2720 1 5 . 1 1 99 99 GLY C C 99 174.225 174.225 174.431 -0.206 25564 2721 1 5 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.173 -0.218 25564 2722 1 5 . 1 1 99 99 GLY H H 99 8.033 8.033 7.943 0.090 25564 2723 1 5 . 1 1 100 100 THR N N 100 114.887 114.887 120.186 -5.299 25564 2724 1 5 . 1 1 100 100 THR HA H 100 4.623 4.623 4.453 0.170 25564 2725 1 5 . 1 1 100 100 THR C C 100 172.336 172.336 172.649 -0.313 25564 2726 1 5 . 1 1 100 100 THR CA C 100 59.775 59.775 61.080 -1.305 25564 2727 1 5 . 1 1 100 100 THR CB C 100 70.644 70.644 69.210 1.434 25564 2728 1 5 . 1 1 100 100 THR H H 100 8.055 8.055 8.854 -0.799 25564 2729 1 5 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.262 0.237 25564 2730 1 5 . 1 1 101 101 PRO C C 101 177.344 177.344 176.483 0.861 25564 2731 1 5 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.725 -0.617 25564 2732 1 5 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.793 0.493 25564 2733 1 5 . 1 1 102 102 ARG N N 102 122.476 122.476 122.496 -0.020 25564 2734 1 5 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.021 0.293 25564 2735 1 5 . 1 1 102 102 ARG C C 102 176.790 176.790 176.121 0.669 25564 2736 1 5 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.611 -0.207 25564 2737 1 5 . 1 1 102 102 ARG CB C 102 31.265 31.265 28.122 3.143 25564 2738 1 5 . 1 1 102 102 ARG H H 102 8.771 8.771 8.491 0.280 25564 2739 1 5 . 1 1 103 103 SER HA H 103 4.523 4.523 4.209 0.314 25564 2740 1 5 . 1 1 103 103 SER CA C 103 58.311 58.311 60.764 -2.453 25564 2741 1 5 . 1 1 103 103 SER CB C 103 64.168 64.168 63.593 0.575 25564 2742 1 5 . 1 1 104 104 ASP N N 104 122.461 122.461 119.666 2.795 25564 2743 1 5 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.690 -0.042 25564 2744 1 5 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.711 0.855 25564 2745 1 5 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.538 -0.155 25564 2746 1 5 . 1 1 104 104 ASP H H 104 8.418 8.418 7.646 0.772 25564 2747 1 5 . 1 1 105 105 GLY N N 105 109.250 109.250 114.546 -5.296 25564 2748 1 5 . 1 1 105 105 GLY C C 105 173.987 173.987 174.329 -0.342 25564 2749 1 5 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.608 0.165 25564 2750 1 5 . 1 1 105 105 GLY H H 105 8.390 8.390 8.678 -0.288 25564 2751 1 6 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.531 0.092 25564 2752 1 6 . 1 1 3 3 HIS CA C 3 56.936 56.936 57.624 -0.688 25564 2753 1 6 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.321 0.950 25564 2754 1 6 . 1 1 7 7 THR HA H 7 4.470 4.470 4.395 0.075 25564 2755 1 6 . 1 1 7 7 THR CA C 7 61.923 61.923 62.758 -0.834 25564 2756 1 6 . 1 1 7 7 THR CB C 7 70.142 70.142 68.789 1.353 25564 2757 1 6 . 1 1 8 8 THR N N 8 116.706 116.706 122.394 -5.688 25564 2758 1 6 . 1 1 8 8 THR HA H 8 4.371 4.371 4.208 0.163 25564 2759 1 6 . 1 1 8 8 THR C C 8 173.590 173.590 173.541 0.049 25564 2760 1 6 . 1 1 8 8 THR CA C 8 61.606 61.606 63.107 -1.501 25564 2761 1 6 . 1 1 8 8 THR CB C 8 70.303 70.303 69.437 0.866 25564 2762 1 6 . 1 1 8 8 THR H H 8 8.238 8.238 7.921 0.317 25564 2763 1 6 . 1 1 9 9 ALA N N 9 127.030 127.030 128.212 -1.182 25564 2764 1 6 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.683 -0.390 25564 2765 1 6 . 1 1 9 9 ALA C C 9 175.005 175.005 175.791 -0.786 25564 2766 1 6 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.521 1.292 25564 2767 1 6 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.788 -0.358 25564 2768 1 6 . 1 1 9 9 ALA H H 9 8.220 8.220 8.268 -0.048 25564 2769 1 6 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.707 -0.378 25564 2770 1 6 . 1 1 10 10 PRO C C 10 175.138 175.138 175.511 -0.373 25564 2771 1 6 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.239 0.558 25564 2772 1 6 . 1 1 10 10 PRO CB C 10 31.837 31.837 33.169 -1.332 25564 2773 1 6 . 1 1 11 11 ASP N N 11 116.244 116.244 119.903 -3.659 25564 2774 1 6 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.740 -0.330 25564 2775 1 6 . 1 1 11 11 ASP C C 11 174.009 174.009 175.974 -1.965 25564 2776 1 6 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.632 -0.249 25564 2777 1 6 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.458 -3.629 25564 2778 1 6 . 1 1 11 11 ASP H H 11 9.038 9.038 8.328 0.710 25564 2779 1 6 . 1 1 12 12 ALA N N 12 120.012 120.012 124.685 -4.673 25564 2780 1 6 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.515 -0.048 25564 2781 1 6 . 1 1 12 12 ALA C C 12 175.669 175.669 175.239 0.430 25564 2782 1 6 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.355 -0.115 25564 2783 1 6 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.484 -0.574 25564 2784 1 6 . 1 1 12 12 ALA H H 12 7.944 7.944 7.884 0.060 25564 2785 1 6 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.886 -0.397 25564 2786 1 6 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.870 -0.545 25564 2787 1 6 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.390 0.439 25564 2788 1 6 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.307 0.179 25564 2789 1 6 . 1 1 14 14 PRO C C 14 175.966 175.966 176.170 -0.204 25564 2790 1 6 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.966 0.029 25564 2791 1 6 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.411 0.218 25564 2792 1 6 . 1 1 15 15 ASP N N 15 117.405 117.405 121.892 -4.487 25564 2793 1 6 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.455 0.103 25564 2794 1 6 . 1 1 15 15 ASP C C 15 173.011 173.011 175.154 -2.143 25564 2795 1 6 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.712 -0.482 25564 2796 1 6 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.514 0.808 25564 2797 1 6 . 1 1 15 15 ASP H H 15 8.470 8.470 8.537 -0.067 25564 2798 1 6 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.601 0.751 25564 2799 1 6 . 1 1 16 16 PRO C C 16 177.534 177.534 176.567 0.967 25564 2800 1 6 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.058 0.546 25564 2801 1 6 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.871 -1.387 25564 2802 1 6 . 1 1 17 17 THR N N 17 117.955 117.955 118.100 -0.145 25564 2803 1 6 . 1 1 17 17 THR HA H 17 4.563 4.563 4.597 -0.034 25564 2804 1 6 . 1 1 17 17 THR C C 17 172.578 172.578 174.027 -1.449 25564 2805 1 6 . 1 1 17 17 THR CA C 17 61.093 61.093 61.344 -0.251 25564 2806 1 6 . 1 1 17 17 THR CB C 17 72.478 72.478 70.653 1.825 25564 2807 1 6 . 1 1 17 17 THR H H 17 9.415 9.415 8.648 0.767 25564 2808 1 6 . 1 1 18 18 VAL N N 18 124.494 124.494 127.919 -3.425 25564 2809 1 6 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.174 0.198 25564 2810 1 6 . 1 1 18 18 VAL C C 18 175.392 175.392 175.800 -0.408 25564 2811 1 6 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.135 -0.285 25564 2812 1 6 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.238 -0.164 25564 2813 1 6 . 1 1 18 18 VAL H H 18 8.645 8.645 8.763 -0.118 25564 2814 1 6 . 1 1 19 19 ASP N N 19 129.904 129.904 128.305 1.599 25564 2815 1 6 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.655 0.068 25564 2816 1 6 . 1 1 19 19 ASP C C 19 175.427 175.427 175.510 -0.083 25564 2817 1 6 . 1 1 19 19 ASP CA C 19 54.903 54.903 54.821 0.082 25564 2818 1 6 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.254 2.017 25564 2819 1 6 . 1 1 19 19 ASP H H 19 8.805 8.805 8.691 0.114 25564 2820 1 6 . 1 1 20 20 GLN N N 20 115.835 115.835 118.644 -2.809 25564 2821 1 6 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.614 -0.164 25564 2822 1 6 . 1 1 20 20 GLN C C 20 173.593 173.593 173.953 -0.360 25564 2823 1 6 . 1 1 20 20 GLN CA C 20 55.945 55.945 55.094 0.851 25564 2824 1 6 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.874 -0.885 25564 2825 1 6 . 1 1 20 20 GLN H H 20 7.431 7.431 7.522 -0.091 25564 2826 1 6 . 1 1 21 21 VAL N N 21 122.956 122.956 123.506 -0.550 25564 2827 1 6 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.268 0.451 25564 2828 1 6 . 1 1 21 21 VAL C C 21 173.753 173.753 174.567 -0.814 25564 2829 1 6 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.881 -0.562 25564 2830 1 6 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.052 1.951 25564 2831 1 6 . 1 1 21 21 VAL H H 21 8.317 8.317 8.469 -0.152 25564 2832 1 6 . 1 1 22 22 ASP N N 22 129.722 129.722 127.292 2.430 25564 2833 1 6 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.188 -0.434 25564 2834 1 6 . 1 1 22 22 ASP C C 22 176.114 176.114 176.838 -0.724 25564 2835 1 6 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.250 1.389 25564 2836 1 6 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.607 -2.230 25564 2837 1 6 . 1 1 22 22 ASP H H 22 8.778 8.778 8.899 -0.121 25564 2838 1 6 . 1 1 23 23 ASP N N 23 115.970 115.970 117.858 -1.888 25564 2839 1 6 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.444 0.190 25564 2840 1 6 . 1 1 23 23 ASP C C 23 175.820 175.820 175.937 -0.117 25564 2841 1 6 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.153 -0.826 25564 2842 1 6 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.849 0.057 25564 2843 1 6 . 1 1 23 23 ASP H H 23 8.049 8.049 8.718 -0.669 25564 2844 1 6 . 1 1 24 24 THR N N 24 97.756 97.756 107.503 -9.747 25564 2845 1 6 . 1 1 24 24 THR HA H 24 4.566 4.566 4.581 -0.015 25564 2846 1 6 . 1 1 24 24 THR C C 24 174.274 174.274 173.052 1.222 25564 2847 1 6 . 1 1 24 24 THR CA C 24 59.595 59.595 60.504 -0.909 25564 2848 1 6 . 1 1 24 24 THR CB C 24 71.670 71.670 68.599 3.071 25564 2849 1 6 . 1 1 24 24 THR H H 24 7.392 7.392 8.066 -0.674 25564 2850 1 6 . 1 1 25 25 SER N N 25 116.249 116.249 116.274 -0.025 25564 2851 1 6 . 1 1 25 25 SER HA H 25 5.440 5.440 5.453 -0.013 25564 2852 1 6 . 1 1 25 25 SER C C 25 171.891 171.891 172.387 -0.496 25564 2853 1 6 . 1 1 25 25 SER CA C 25 57.670 57.670 58.314 -0.644 25564 2854 1 6 . 1 1 25 25 SER CB C 25 67.439 67.439 66.285 1.154 25564 2855 1 6 . 1 1 25 25 SER H H 25 7.693 7.693 7.485 0.208 25564 2856 1 6 . 1 1 26 26 ILE N N 26 118.594 118.594 124.056 -5.462 25564 2857 1 6 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.743 -0.329 25564 2858 1 6 . 1 1 26 26 ILE C C 26 174.020 174.020 173.561 0.459 25564 2859 1 6 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.526 0.608 25564 2860 1 6 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.851 2.237 25564 2861 1 6 . 1 1 26 26 ILE H H 26 8.141 8.141 8.705 -0.564 25564 2862 1 6 . 1 1 27 27 VAL N N 27 126.778 126.778 126.064 0.714 25564 2863 1 6 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.172 -0.199 25564 2864 1 6 . 1 1 27 27 VAL C C 27 175.692 175.692 174.817 0.875 25564 2865 1 6 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.789 1.660 25564 2866 1 6 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.505 0.308 25564 2867 1 6 . 1 1 27 27 VAL H H 27 8.642 8.642 8.872 -0.230 25564 2868 1 6 . 1 1 28 28 VAL N N 28 127.624 127.624 122.775 4.849 25564 2869 1 6 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.946 -0.086 25564 2870 1 6 . 1 1 28 28 VAL C C 28 173.467 173.467 173.964 -0.497 25564 2871 1 6 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.033 1.421 25564 2872 1 6 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.162 -0.210 25564 2873 1 6 . 1 1 28 28 VAL H H 28 8.656 8.656 8.932 -0.276 25564 2874 1 6 . 1 1 29 29 ARG N N 29 123.905 123.905 125.218 -1.313 25564 2875 1 6 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.997 -0.280 25564 2876 1 6 . 1 1 29 29 ARG C C 29 174.147 174.147 175.427 -1.280 25564 2877 1 6 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.243 0.623 25564 2878 1 6 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.736 1.454 25564 2879 1 6 . 1 1 29 29 ARG H H 29 9.075 9.075 8.452 0.623 25564 2880 1 6 . 1 1 30 30 TRP N N 30 116.284 116.284 123.804 -7.520 25564 2881 1 6 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.106 -0.260 25564 2882 1 6 . 1 1 30 30 TRP C C 30 174.778 174.778 175.550 -0.772 25564 2883 1 6 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.762 2.773 25564 2884 1 6 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.816 -0.518 25564 2885 1 6 . 1 1 30 30 TRP H H 30 7.512 7.512 7.948 -0.436 25564 2886 1 6 . 1 1 31 31 SER HA H 31 4.747 4.747 4.677 0.070 25564 2887 1 6 . 1 1 31 31 SER C C 31 172.773 172.773 174.267 -1.494 25564 2888 1 6 . 1 1 31 31 SER CA C 31 57.875 57.875 57.852 0.022 25564 2889 1 6 . 1 1 31 31 SER CB C 31 64.093 64.093 63.219 0.874 25564 2890 1 6 . 1 1 32 32 ARG N N 32 122.062 122.062 125.925 -3.863 25564 2891 1 6 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.675 0.204 25564 2892 1 6 . 1 1 32 32 ARG C C 32 175.788 175.788 175.196 0.592 25564 2893 1 6 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.071 -0.786 25564 2894 1 6 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.363 2.057 25564 2895 1 6 . 1 1 32 32 ARG H H 32 8.337 8.337 8.234 0.103 25564 2896 1 6 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.569 -0.093 25564 2897 1 6 . 1 1 33 33 PRO C C 33 175.739 175.739 176.595 -0.856 25564 2898 1 6 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.709 1.258 25564 2899 1 6 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.968 0.007 25564 2900 1 6 . 1 1 34 34 GLN N N 34 122.510 122.510 120.549 1.961 25564 2901 1 6 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.226 -0.072 25564 2902 1 6 . 1 1 34 34 GLN C C 34 177.396 177.396 175.724 1.672 25564 2903 1 6 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.755 0.748 25564 2904 1 6 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.944 0.702 25564 2905 1 6 . 1 1 34 34 GLN H H 34 10.310 10.310 8.600 1.710 25564 2906 1 6 . 1 1 35 35 ALA N N 35 123.797 123.797 124.560 -0.763 25564 2907 1 6 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.422 0.056 25564 2908 1 6 . 1 1 35 35 ALA C C 35 174.959 174.959 175.716 -0.757 25564 2909 1 6 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.253 0.614 25564 2910 1 6 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.923 0.247 25564 2911 1 6 . 1 1 35 35 ALA H H 35 8.725 8.725 7.843 0.882 25564 2912 1 6 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.517 0.066 25564 2913 1 6 . 1 1 36 36 PRO C C 36 175.555 175.555 175.573 -0.018 25564 2914 1 6 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.859 0.143 25564 2915 1 6 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.422 -1.447 25564 2916 1 6 . 1 1 37 37 ILE N N 37 114.656 114.656 118.932 -4.276 25564 2917 1 6 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.603 -0.203 25564 2918 1 6 . 1 1 37 37 ILE C C 37 176.204 176.204 175.528 0.676 25564 2919 1 6 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.158 1.952 25564 2920 1 6 . 1 1 37 37 ILE CB C 37 41.642 41.642 39.957 1.685 25564 2921 1 6 . 1 1 37 37 ILE H H 37 7.946 7.946 7.820 0.126 25564 2922 1 6 . 1 1 38 38 THR N N 38 109.332 109.332 114.739 -5.407 25564 2923 1 6 . 1 1 38 38 THR HA H 38 4.576 4.576 4.643 -0.067 25564 2924 1 6 . 1 1 38 38 THR C C 38 175.325 175.325 175.512 -0.187 25564 2925 1 6 . 1 1 38 38 THR CA C 38 61.858 61.858 62.303 -0.445 25564 2926 1 6 . 1 1 38 38 THR CB C 38 69.971 69.971 70.121 -0.150 25564 2927 1 6 . 1 1 38 38 THR H H 38 9.767 9.767 8.891 0.876 25564 2928 1 6 . 1 1 39 39 GLY N N 39 109.326 109.326 109.255 0.071 25564 2929 1 6 . 1 1 39 39 GLY C C 39 169.390 169.390 171.945 -2.555 25564 2930 1 6 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.005 -0.365 25564 2931 1 6 . 1 1 39 39 GLY H H 39 7.641 7.641 7.859 -0.218 25564 2932 1 6 . 1 1 40 40 TYR N N 40 113.638 113.638 118.240 -4.602 25564 2933 1 6 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.687 -0.335 25564 2934 1 6 . 1 1 40 40 TYR C C 40 174.719 174.719 175.077 -0.358 25564 2935 1 6 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.562 0.427 25564 2936 1 6 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.906 0.413 25564 2937 1 6 . 1 1 40 40 TYR H H 40 8.470 8.470 8.720 -0.250 25564 2938 1 6 . 1 1 41 41 ARG N N 41 125.140 125.140 121.795 3.345 25564 2939 1 6 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.457 -0.175 25564 2940 1 6 . 1 1 41 41 ARG C C 41 173.714 173.714 175.133 -1.419 25564 2941 1 6 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.749 2.020 25564 2942 1 6 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.605 2.096 25564 2943 1 6 . 1 1 41 41 ARG H H 41 9.148 9.148 8.943 0.205 25564 2944 1 6 . 1 1 42 42 ILE N N 42 126.999 126.999 122.169 4.830 25564 2945 1 6 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.077 0.265 25564 2946 1 6 . 1 1 42 42 ILE C C 42 174.706 174.706 174.995 -0.289 25564 2947 1 6 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.810 -2.027 25564 2948 1 6 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.775 -0.381 25564 2949 1 6 . 1 1 42 42 ILE H H 42 9.237 9.237 8.859 0.378 25564 2950 1 6 . 1 1 43 43 VAL N N 43 126.775 126.775 128.666 -1.891 25564 2951 1 6 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.904 0.444 25564 2952 1 6 . 1 1 43 43 VAL C C 43 175.795 175.795 175.684 0.111 25564 2953 1 6 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.682 -0.078 25564 2954 1 6 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.535 2.644 25564 2955 1 6 . 1 1 43 43 VAL H H 43 9.369 9.369 9.009 0.360 25564 2956 1 6 . 1 1 44 44 TYR N N 44 122.788 122.788 125.251 -2.463 25564 2957 1 6 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.887 0.357 25564 2958 1 6 . 1 1 44 44 TYR C C 44 174.353 174.353 174.463 -0.110 25564 2959 1 6 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.429 0.981 25564 2960 1 6 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.299 3.051 25564 2961 1 6 . 1 1 44 44 TYR H H 44 9.253 9.253 8.852 0.401 25564 2962 1 6 . 1 1 45 45 SER N N 45 114.339 114.339 117.382 -3.043 25564 2963 1 6 . 1 1 45 45 SER HA H 45 5.208 5.208 4.976 0.232 25564 2964 1 6 . 1 1 45 45 SER C C 45 171.693 171.693 171.902 -0.209 25564 2965 1 6 . 1 1 45 45 SER CA C 45 55.870 55.870 54.841 1.029 25564 2966 1 6 . 1 1 45 45 SER CB C 45 65.646 65.646 65.599 0.047 25564 2967 1 6 . 1 1 45 45 SER H H 45 8.797 8.797 9.086 -0.289 25564 2968 1 6 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.808 -0.422 25564 2969 1 6 . 1 1 46 46 PRO C C 46 177.666 177.666 176.962 0.704 25564 2970 1 6 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.400 0.292 25564 2971 1 6 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.817 0.199 25564 2972 1 6 . 1 1 47 47 SER N N 47 118.732 118.732 117.232 1.500 25564 2973 1 6 . 1 1 47 47 SER HA H 47 4.069 4.069 4.309 -0.240 25564 2974 1 6 . 1 1 47 47 SER C C 47 175.055 175.055 175.003 0.052 25564 2975 1 6 . 1 1 47 47 SER CA C 47 60.992 60.992 60.630 0.362 25564 2976 1 6 . 1 1 47 47 SER CB C 47 63.541 63.541 63.510 0.031 25564 2977 1 6 . 1 1 47 47 SER H H 47 8.648 8.648 8.489 0.159 25564 2978 1 6 . 1 1 48 48 VAL N N 48 117.213 117.213 118.258 -1.045 25564 2979 1 6 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.059 0.023 25564 2980 1 6 . 1 1 48 48 VAL C C 48 175.456 175.456 174.974 0.482 25564 2981 1 6 . 1 1 48 48 VAL CA C 48 62.987 62.987 63.265 -0.278 25564 2982 1 6 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.019 -0.150 25564 2983 1 6 . 1 1 48 48 VAL H H 48 7.640 7.640 7.929 -0.289 25564 2984 1 6 . 1 1 49 49 GLU N N 49 119.528 119.528 118.790 0.738 25564 2985 1 6 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.329 -0.181 25564 2986 1 6 . 1 1 49 49 GLU C C 49 176.081 176.081 174.770 1.311 25564 2987 1 6 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.386 0.788 25564 2988 1 6 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.902 -1.734 25564 2989 1 6 . 1 1 49 49 GLU H H 49 8.150 8.150 7.790 0.360 25564 2990 1 6 . 1 1 50 50 GLY N N 50 108.013 108.013 110.810 -2.797 25564 2991 1 6 . 1 1 50 50 GLY C C 50 173.617 173.617 173.503 0.114 25564 2992 1 6 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.826 0.584 25564 2993 1 6 . 1 1 50 50 GLY H H 50 8.144 8.144 8.119 0.025 25564 2994 1 6 . 1 1 51 51 SER N N 51 115.893 115.893 119.030 -3.137 25564 2995 1 6 . 1 1 51 51 SER HA H 51 4.604 4.604 4.676 -0.072 25564 2996 1 6 . 1 1 51 51 SER CA C 51 58.145 58.145 58.214 -0.069 25564 2997 1 6 . 1 1 51 51 SER CB C 51 64.429 64.429 64.034 0.395 25564 2998 1 6 . 1 1 51 51 SER H H 51 8.248 8.248 8.591 -0.343 25564 2999 1 6 . 1 1 52 52 SER HA H 52 4.795 4.795 5.315 -0.520 25564 3000 1 6 . 1 1 52 52 SER C C 52 173.840 173.840 173.642 0.198 25564 3001 1 6 . 1 1 52 52 SER CA C 52 58.319 58.319 57.466 0.853 25564 3002 1 6 . 1 1 52 52 SER CB C 52 65.231 65.231 65.058 0.173 25564 3003 1 6 . 1 1 53 53 THR N N 53 121.052 121.052 119.204 1.848 25564 3004 1 6 . 1 1 53 53 THR HA H 53 4.294 4.294 4.414 -0.120 25564 3005 1 6 . 1 1 53 53 THR C C 53 171.241 171.241 171.669 -0.428 25564 3006 1 6 . 1 1 53 53 THR CA C 53 62.799 62.799 61.687 1.112 25564 3007 1 6 . 1 1 53 53 THR CB C 53 70.995 70.995 72.432 -1.437 25564 3008 1 6 . 1 1 53 53 THR H H 53 8.344 8.344 8.556 -0.212 25564 3009 1 6 . 1 1 54 54 GLU N N 54 125.190 125.190 124.554 0.636 25564 3010 1 6 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.527 0.087 25564 3011 1 6 . 1 1 54 54 GLU C C 54 175.175 175.175 175.490 -0.315 25564 3012 1 6 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.406 0.106 25564 3013 1 6 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.565 2.106 25564 3014 1 6 . 1 1 54 54 GLU H H 54 8.458 8.458 8.423 0.035 25564 3015 1 6 . 1 1 55 55 LEU N N 55 125.745 125.745 126.171 -0.426 25564 3016 1 6 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.660 0.195 25564 3017 1 6 . 1 1 55 55 LEU C C 55 175.121 175.121 175.274 -0.153 25564 3018 1 6 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.922 0.084 25564 3019 1 6 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.639 1.097 25564 3020 1 6 . 1 1 55 55 LEU H H 55 9.755 9.755 8.705 1.050 25564 3021 1 6 . 1 1 56 56 ASN N N 56 120.517 120.517 120.299 0.218 25564 3022 1 6 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.723 -0.159 25564 3023 1 6 . 1 1 56 56 ASN C C 56 174.180 174.180 174.160 0.020 25564 3024 1 6 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.151 1.125 25564 3025 1 6 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.016 1.435 25564 3026 1 6 . 1 1 56 56 ASN H H 56 8.727 8.727 8.499 0.228 25564 3027 1 6 . 1 1 57 57 LEU N N 57 123.534 123.534 126.410 -2.876 25564 3028 1 6 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.035 0.100 25564 3029 1 6 . 1 1 57 57 LEU C C 57 174.960 174.960 175.129 -0.169 25564 3030 1 6 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.557 0.568 25564 3031 1 6 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.067 0.741 25564 3032 1 6 . 1 1 57 57 LEU H H 57 9.075 9.075 8.673 0.402 25564 3033 1 6 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.559 0.496 25564 3034 1 6 . 1 1 58 58 PRO C C 58 176.897 176.897 178.469 -1.572 25564 3035 1 6 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.680 -0.090 25564 3036 1 6 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.136 1.732 25564 3037 1 6 . 1 1 59 59 GLU N N 59 117.522 117.522 120.569 -3.047 25564 3038 1 6 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.108 -0.127 25564 3039 1 6 . 1 1 59 59 GLU C C 59 175.246 175.246 176.871 -1.625 25564 3040 1 6 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.935 -1.030 25564 3041 1 6 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.951 -0.028 25564 3042 1 6 . 1 1 59 59 GLU H H 59 8.905 8.905 8.745 0.160 25564 3043 1 6 . 1 1 60 60 THR N N 60 106.153 106.153 111.956 -5.803 25564 3044 1 6 . 1 1 60 60 THR HA H 60 4.155 4.155 4.443 -0.288 25564 3045 1 6 . 1 1 60 60 THR C C 60 175.087 175.087 173.383 1.704 25564 3046 1 6 . 1 1 60 60 THR CA C 60 61.646 61.646 60.446 1.200 25564 3047 1 6 . 1 1 60 60 THR CB C 60 69.638 69.638 68.127 1.511 25564 3048 1 6 . 1 1 60 60 THR H H 60 7.056 7.056 7.807 -0.751 25564 3049 1 6 . 1 1 61 61 ALA N N 61 125.590 125.590 124.065 1.525 25564 3050 1 6 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.353 -0.003 25564 3051 1 6 . 1 1 61 61 ALA C C 61 176.988 176.988 175.808 1.180 25564 3052 1 6 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.875 1.595 25564 3053 1 6 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.781 1.443 25564 3054 1 6 . 1 1 61 61 ALA H H 61 7.808 7.808 8.356 -0.548 25564 3055 1 6 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.579 0.084 25564 3056 1 6 . 1 1 62 62 ASN C C 62 171.666 171.666 172.679 -1.013 25564 3057 1 6 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.260 -0.082 25564 3058 1 6 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.997 -0.321 25564 3059 1 6 . 1 1 63 63 SER N N 63 109.802 109.802 114.874 -5.072 25564 3060 1 6 . 1 1 63 63 SER HA H 63 4.341 4.341 4.629 -0.288 25564 3061 1 6 . 1 1 63 63 SER C C 63 172.378 172.378 172.667 -0.289 25564 3062 1 6 . 1 1 63 63 SER CA C 63 56.541 56.541 57.348 -0.807 25564 3063 1 6 . 1 1 63 63 SER CB C 63 65.498 65.498 65.818 -0.320 25564 3064 1 6 . 1 1 63 63 SER H H 63 6.764 6.764 6.770 -0.006 25564 3065 1 6 . 1 1 64 64 VAL N N 64 117.873 117.873 122.946 -5.073 25564 3066 1 6 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.520 -0.080 25564 3067 1 6 . 1 1 64 64 VAL C C 64 171.395 171.395 174.170 -2.775 25564 3068 1 6 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.397 1.347 25564 3069 1 6 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.599 0.492 25564 3070 1 6 . 1 1 64 64 VAL H H 64 8.793 8.793 8.835 -0.042 25564 3071 1 6 . 1 1 65 65 THR N N 65 123.328 123.328 124.825 -1.497 25564 3072 1 6 . 1 1 65 65 THR HA H 65 4.703 4.703 4.519 0.184 25564 3073 1 6 . 1 1 65 65 THR C C 65 173.608 173.608 174.045 -0.437 25564 3074 1 6 . 1 1 65 65 THR CA C 65 62.094 62.094 62.028 0.067 25564 3075 1 6 . 1 1 65 65 THR CB C 65 69.754 69.754 68.740 1.014 25564 3076 1 6 . 1 1 65 65 THR H H 65 8.377 8.377 8.503 -0.126 25564 3077 1 6 . 1 1 66 66 LEU N N 66 130.029 130.029 127.330 2.699 25564 3078 1 6 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.241 0.110 25564 3079 1 6 . 1 1 66 66 LEU C C 66 174.738 174.738 176.098 -1.360 25564 3080 1 6 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.467 -0.909 25564 3081 1 6 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.213 -1.007 25564 3082 1 6 . 1 1 66 66 LEU H H 66 9.232 9.232 8.607 0.625 25564 3083 1 6 . 1 1 67 67 SER N N 67 117.107 117.107 115.524 1.583 25564 3084 1 6 . 1 1 67 67 SER HA H 67 4.936 4.936 5.063 -0.127 25564 3085 1 6 . 1 1 67 67 SER C C 67 172.509 172.509 173.945 -1.436 25564 3086 1 6 . 1 1 67 67 SER CA C 67 57.340 57.340 56.691 0.649 25564 3087 1 6 . 1 1 67 67 SER CB C 67 66.115 66.115 65.248 0.867 25564 3088 1 6 . 1 1 67 67 SER H H 67 8.174 8.174 8.358 -0.184 25564 3089 1 6 . 1 1 68 68 ASP N N 68 116.924 116.924 119.097 -2.173 25564 3090 1 6 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.277 0.077 25564 3091 1 6 . 1 1 68 68 ASP C C 68 175.654 175.654 175.424 0.230 25564 3092 1 6 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.650 -0.048 25564 3093 1 6 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.870 -0.156 25564 3094 1 6 . 1 1 68 68 ASP H H 68 9.003 9.003 8.338 0.665 25564 3095 1 6 . 1 1 69 69 LEU N N 69 116.713 116.713 117.043 -0.330 25564 3096 1 6 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.281 0.055 25564 3097 1 6 . 1 1 69 69 LEU C C 69 175.793 175.793 176.934 -1.141 25564 3098 1 6 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.258 -1.711 25564 3099 1 6 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.403 -1.369 25564 3100 1 6 . 1 1 69 69 LEU H H 69 8.605 8.605 6.971 1.634 25564 3101 1 6 . 1 1 70 70 GLN N N 70 118.301 118.301 118.500 -0.199 25564 3102 1 6 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.771 -0.005 25564 3103 1 6 . 1 1 70 70 GLN C C 70 174.178 174.178 173.874 0.304 25564 3104 1 6 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.384 0.564 25564 3105 1 6 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.914 -1.288 25564 3106 1 6 . 1 1 70 70 GLN H H 70 8.288 8.288 8.599 -0.311 25564 3107 1 6 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.244 1.008 25564 3108 1 6 . 1 1 71 71 PRO C C 71 177.837 177.837 177.432 0.405 25564 3109 1 6 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.936 -0.838 25564 3110 1 6 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.539 1.854 25564 3111 1 6 . 1 1 72 72 GLY N N 72 111.077 111.077 111.913 -0.836 25564 3112 1 6 . 1 1 72 72 GLY C C 72 174.621 174.621 173.395 1.226 25564 3113 1 6 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.253 1.973 25564 3114 1 6 . 1 1 72 72 GLY H H 72 7.348 7.348 8.480 -1.132 25564 3115 1 6 . 1 1 73 73 VAL N N 73 120.434 120.434 118.915 1.519 25564 3116 1 6 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.347 -0.235 25564 3117 1 6 . 1 1 73 73 VAL C C 73 173.963 173.963 174.583 -0.620 25564 3118 1 6 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.933 0.761 25564 3119 1 6 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.293 0.130 25564 3120 1 6 . 1 1 73 73 VAL H H 73 7.670 7.670 8.357 -0.687 25564 3121 1 6 . 1 1 74 74 GLN N N 74 123.606 123.606 124.954 -1.348 25564 3122 1 6 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.563 -0.356 25564 3123 1 6 . 1 1 74 74 GLN C C 74 174.283 174.283 174.533 -0.250 25564 3124 1 6 . 1 1 74 74 GLN CA C 74 56.505 56.505 54.924 1.581 25564 3125 1 6 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.202 1.273 25564 3126 1 6 . 1 1 74 74 GLN H H 74 8.263 8.263 8.669 -0.406 25564 3127 1 6 . 1 1 75 75 TYR N N 75 127.153 127.153 126.134 1.019 25564 3128 1 6 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.662 0.078 25564 3129 1 6 . 1 1 75 75 TYR C C 75 174.412 174.412 174.606 -0.194 25564 3130 1 6 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.128 2.055 25564 3131 1 6 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.574 0.307 25564 3132 1 6 . 1 1 75 75 TYR H H 75 8.916 8.916 8.965 -0.049 25564 3133 1 6 . 1 1 76 76 ASN N N 76 120.363 120.363 124.580 -4.217 25564 3134 1 6 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.906 0.287 25564 3135 1 6 . 1 1 76 76 ASN C C 76 174.903 174.903 174.507 0.396 25564 3136 1 6 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.743 -0.904 25564 3137 1 6 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.839 1.500 25564 3138 1 6 . 1 1 76 76 ASN H H 76 9.014 9.014 8.907 0.107 25564 3139 1 6 . 1 1 77 77 ILE N N 77 127.376 127.376 127.646 -0.270 25564 3140 1 6 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.408 0.240 25564 3141 1 6 . 1 1 77 77 ILE C C 77 173.510 173.510 175.226 -1.716 25564 3142 1 6 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.279 0.077 25564 3143 1 6 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.220 2.691 25564 3144 1 6 . 1 1 77 77 ILE H H 77 9.466 9.466 9.041 0.425 25564 3145 1 6 . 1 1 78 78 THR N N 78 124.282 124.282 126.521 -2.239 25564 3146 1 6 . 1 1 78 78 THR HA H 78 5.117 5.117 5.443 -0.326 25564 3147 1 6 . 1 1 78 78 THR C C 78 173.140 173.140 173.650 -0.510 25564 3148 1 6 . 1 1 78 78 THR CA C 78 61.961 61.961 60.849 1.112 25564 3149 1 6 . 1 1 78 78 THR CB C 78 70.244 70.244 69.999 0.245 25564 3150 1 6 . 1 1 78 78 THR H H 78 9.535 9.535 8.815 0.720 25564 3151 1 6 . 1 1 79 79 ILE N N 79 125.033 125.033 125.687 -0.654 25564 3152 1 6 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.184 0.407 25564 3153 1 6 . 1 1 79 79 ILE C C 79 173.827 173.827 174.661 -0.834 25564 3154 1 6 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.168 2.580 25564 3155 1 6 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.209 3.061 25564 3156 1 6 . 1 1 79 79 ILE H H 79 8.974 8.974 8.355 0.619 25564 3157 1 6 . 1 1 80 80 TYR N N 80 122.647 122.647 124.406 -1.759 25564 3158 1 6 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.616 -0.097 25564 3159 1 6 . 1 1 80 80 TYR C C 80 177.072 177.072 174.134 2.938 25564 3160 1 6 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.900 0.501 25564 3161 1 6 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.170 0.730 25564 3162 1 6 . 1 1 80 80 TYR H H 80 9.137 9.137 8.878 0.259 25564 3163 1 6 . 1 1 81 81 ALA N N 81 124.412 124.412 127.492 -3.080 25564 3164 1 6 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.494 1.259 25564 3165 1 6 . 1 1 81 81 ALA C C 81 175.811 175.811 175.529 0.282 25564 3166 1 6 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.739 0.918 25564 3167 1 6 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.678 2.638 25564 3168 1 6 . 1 1 81 81 ALA H H 81 8.764 8.764 8.811 -0.047 25564 3169 1 6 . 1 1 82 82 VAL N N 82 120.278 120.278 124.212 -3.934 25564 3170 1 6 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.284 0.329 25564 3171 1 6 . 1 1 82 82 VAL C C 82 174.662 174.662 174.339 0.323 25564 3172 1 6 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.582 0.597 25564 3173 1 6 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.346 0.325 25564 3174 1 6 . 1 1 82 82 VAL H H 82 8.276 8.276 8.566 -0.290 25564 3175 1 6 . 1 1 83 83 GLU N N 83 127.125 127.125 127.176 -0.051 25564 3176 1 6 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.633 -0.096 25564 3177 1 6 . 1 1 83 83 GLU C C 83 175.133 175.133 175.783 -0.650 25564 3178 1 6 . 1 1 83 83 GLU CA C 83 56.000 56.000 53.859 2.141 25564 3179 1 6 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.394 -0.678 25564 3180 1 6 . 1 1 83 83 GLU H H 83 8.849 8.849 8.631 0.218 25564 3181 1 6 . 1 1 84 84 GLU N N 84 125.009 125.009 121.338 3.671 25564 3182 1 6 . 1 1 84 84 GLU HA H 84 3.682 3.682 4.059 -0.377 25564 3183 1 6 . 1 1 84 84 GLU C C 84 174.988 174.988 177.422 -2.434 25564 3184 1 6 . 1 1 84 84 GLU CA C 84 59.362 59.362 58.797 0.565 25564 3185 1 6 . 1 1 84 84 GLU CB C 84 27.722 27.722 30.008 -2.286 25564 3186 1 6 . 1 1 84 84 GLU H H 84 8.952 8.952 8.899 0.053 25564 3187 1 6 . 1 1 85 85 ASN N N 85 119.010 119.010 114.336 4.674 25564 3188 1 6 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.831 -0.125 25564 3189 1 6 . 1 1 85 85 ASN C C 85 174.499 174.499 174.325 0.174 25564 3190 1 6 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.170 0.783 25564 3191 1 6 . 1 1 85 85 ASN CB C 85 39.030 39.030 40.454 -1.424 25564 3192 1 6 . 1 1 85 85 ASN H H 85 8.412 8.412 8.654 -0.242 25564 3193 1 6 . 1 1 86 86 GLN N N 86 119.080 119.080 117.796 1.284 25564 3194 1 6 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.629 -0.025 25564 3195 1 6 . 1 1 86 86 GLN C C 86 174.270 174.270 173.669 0.601 25564 3196 1 6 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.050 1.242 25564 3197 1 6 . 1 1 86 86 GLN CB C 86 32.011 32.011 33.035 -1.024 25564 3198 1 6 . 1 1 86 86 GLN H H 86 8.086 8.086 7.419 0.667 25564 3199 1 6 . 1 1 87 87 GLU N N 87 120.589 120.589 119.706 0.883 25564 3200 1 6 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.757 0.457 25564 3201 1 6 . 1 1 87 87 GLU C C 87 176.092 176.092 175.594 0.498 25564 3202 1 6 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.296 -0.574 25564 3203 1 6 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.333 0.382 25564 3204 1 6 . 1 1 87 87 GLU H H 87 8.498 8.498 8.618 -0.120 25564 3205 1 6 . 1 1 88 88 SER N N 88 116.013 116.013 120.927 -4.914 25564 3206 1 6 . 1 1 88 88 SER HA H 88 4.547 4.547 4.669 -0.122 25564 3207 1 6 . 1 1 88 88 SER C C 88 175.202 175.202 175.298 -0.096 25564 3208 1 6 . 1 1 88 88 SER CA C 88 58.211 58.211 58.852 -0.641 25564 3209 1 6 . 1 1 88 88 SER CB C 88 66.959 66.959 64.256 2.703 25564 3210 1 6 . 1 1 88 88 SER H H 88 8.954 8.954 8.802 0.152 25564 3211 1 6 . 1 1 89 89 THR N N 89 114.798 114.798 115.473 -0.675 25564 3212 1 6 . 1 1 89 89 THR HA H 89 4.520 4.520 4.330 0.190 25564 3213 1 6 . 1 1 89 89 THR C C 89 173.754 173.754 173.149 0.605 25564 3214 1 6 . 1 1 89 89 THR CA C 89 61.673 61.673 61.602 0.071 25564 3215 1 6 . 1 1 89 89 THR CB C 89 69.286 69.286 68.117 1.169 25564 3216 1 6 . 1 1 89 89 THR H H 89 8.559 8.559 8.256 0.303 25564 3217 1 6 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.542 -0.387 25564 3218 1 6 . 1 1 90 90 PRO C C 90 177.970 177.970 176.141 1.829 25564 3219 1 6 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.724 1.001 25564 3220 1 6 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.885 -0.482 25564 3221 1 6 . 1 1 91 91 VAL N N 91 120.679 120.679 124.539 -3.860 25564 3222 1 6 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.017 0.260 25564 3223 1 6 . 1 1 91 91 VAL C C 91 173.958 173.958 174.918 -0.960 25564 3224 1 6 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.531 -0.933 25564 3225 1 6 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.801 1.146 25564 3226 1 6 . 1 1 91 91 VAL H H 91 8.189 8.189 8.532 -0.343 25564 3227 1 6 . 1 1 92 92 VAL N N 92 125.593 125.593 127.716 -2.123 25564 3228 1 6 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.691 0.316 25564 3229 1 6 . 1 1 92 92 VAL C C 92 176.045 176.045 175.212 0.833 25564 3230 1 6 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.192 0.169 25564 3231 1 6 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.306 1.828 25564 3232 1 6 . 1 1 92 92 VAL H H 92 8.300 8.300 8.346 -0.046 25564 3233 1 6 . 1 1 93 93 ILE N N 93 127.733 127.733 124.100 3.633 25564 3234 1 6 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.691 -0.275 25564 3235 1 6 . 1 1 93 93 ILE C C 93 174.071 174.071 174.298 -0.227 25564 3236 1 6 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.681 0.157 25564 3237 1 6 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.930 2.302 25564 3238 1 6 . 1 1 93 93 ILE H H 93 9.471 9.471 9.038 0.433 25564 3239 1 6 . 1 1 94 94 GLN N N 94 123.610 123.610 126.998 -3.388 25564 3240 1 6 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.023 0.518 25564 3241 1 6 . 1 1 94 94 GLN C C 94 175.328 175.328 175.171 0.157 25564 3242 1 6 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.667 -0.085 25564 3243 1 6 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.337 1.692 25564 3244 1 6 . 1 1 94 94 GLN H H 94 8.522 8.522 8.626 -0.104 25564 3245 1 6 . 1 1 95 95 GLN N N 95 123.044 123.044 123.250 -0.206 25564 3246 1 6 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.628 -0.118 25564 3247 1 6 . 1 1 95 95 GLN C C 95 173.530 173.530 174.372 -0.842 25564 3248 1 6 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.718 0.204 25564 3249 1 6 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.876 -0.353 25564 3250 1 6 . 1 1 95 95 GLN H H 95 8.893 8.893 8.933 -0.040 25564 3251 1 6 . 1 1 96 96 GLU N N 96 128.881 128.881 126.264 2.617 25564 3252 1 6 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.889 0.854 25564 3253 1 6 . 1 1 96 96 GLU C C 96 178.926 178.926 176.681 2.245 25564 3254 1 6 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.112 -0.293 25564 3255 1 6 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.837 0.688 25564 3256 1 6 . 1 1 96 96 GLU H H 96 8.913 8.913 8.679 0.234 25564 3257 1 6 . 1 1 97 97 THR N N 97 116.022 116.022 119.727 -3.705 25564 3258 1 6 . 1 1 97 97 THR HA H 97 4.344 4.344 4.463 -0.119 25564 3259 1 6 . 1 1 97 97 THR C C 97 176.660 176.660 175.705 0.955 25564 3260 1 6 . 1 1 97 97 THR CA C 97 61.453 61.453 63.072 -1.619 25564 3261 1 6 . 1 1 97 97 THR CB C 97 69.742 69.742 69.294 0.448 25564 3262 1 6 . 1 1 97 97 THR H H 97 8.740 8.740 8.890 -0.150 25564 3263 1 6 . 1 1 98 98 THR N N 98 110.068 110.068 121.593 -11.525 25564 3264 1 6 . 1 1 98 98 THR HA H 98 4.270 4.270 4.179 0.091 25564 3265 1 6 . 1 1 98 98 THR C C 98 173.859 173.859 175.248 -1.389 25564 3266 1 6 . 1 1 98 98 THR CA C 98 62.659 62.659 64.475 -1.816 25564 3267 1 6 . 1 1 98 98 THR CB C 98 69.654 69.654 69.173 0.481 25564 3268 1 6 . 1 1 98 98 THR H H 98 7.287 7.287 8.650 -1.363 25564 3269 1 6 . 1 1 99 99 GLY N N 99 103.540 103.540 108.442 -4.902 25564 3270 1 6 . 1 1 99 99 GLY C C 99 174.225 174.225 172.624 1.601 25564 3271 1 6 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.163 0.792 25564 3272 1 6 . 1 1 99 99 GLY H H 99 8.033 8.033 7.207 0.826 25564 3273 1 6 . 1 1 100 100 THR N N 100 114.887 114.887 116.384 -1.497 25564 3274 1 6 . 1 1 100 100 THR HA H 100 4.623 4.623 4.673 -0.050 25564 3275 1 6 . 1 1 100 100 THR C C 100 172.336 172.336 173.994 -1.658 25564 3276 1 6 . 1 1 100 100 THR CA C 100 59.775 59.775 61.492 -1.717 25564 3277 1 6 . 1 1 100 100 THR CB C 100 70.644 70.644 68.594 2.050 25564 3278 1 6 . 1 1 100 100 THR H H 100 8.055 8.055 8.193 -0.138 25564 3279 1 6 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.561 -0.062 25564 3280 1 6 . 1 1 101 101 PRO C C 101 177.344 177.344 176.582 0.762 25564 3281 1 6 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.163 -0.056 25564 3282 1 6 . 1 1 101 101 PRO CB C 101 32.286 32.286 30.437 1.849 25564 3283 1 6 . 1 1 102 102 ARG N N 102 122.476 122.476 122.688 -0.212 25564 3284 1 6 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.167 0.147 25564 3285 1 6 . 1 1 102 102 ARG C C 102 176.790 176.790 176.662 0.128 25564 3286 1 6 . 1 1 102 102 ARG CA C 102 56.404 56.404 57.258 -0.854 25564 3287 1 6 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.870 0.394 25564 3288 1 6 . 1 1 102 102 ARG H H 102 8.771 8.771 8.335 0.436 25564 3289 1 6 . 1 1 103 103 SER HA H 103 4.523 4.523 4.233 0.290 25564 3290 1 6 . 1 1 103 103 SER CA C 103 58.311 58.311 58.423 -0.112 25564 3291 1 6 . 1 1 103 103 SER CB C 103 64.168 64.168 62.389 1.779 25564 3292 1 6 . 1 1 104 104 ASP N N 104 122.461 122.461 121.477 0.984 25564 3293 1 6 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.664 -0.016 25564 3294 1 6 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.714 -0.148 25564 3295 1 6 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.692 -0.309 25564 3296 1 6 . 1 1 104 104 ASP H H 104 8.418 8.418 8.340 0.078 25564 3297 1 6 . 1 1 105 105 GLY N N 105 109.250 109.250 108.438 0.812 25564 3298 1 6 . 1 1 105 105 GLY C C 105 173.987 173.987 174.444 -0.457 25564 3299 1 6 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.743 1.030 25564 3300 1 6 . 1 1 105 105 GLY H H 105 8.390 8.390 7.727 0.663 25564 3301 1 7 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.560 0.063 25564 3302 1 7 . 1 1 3 3 HIS CA C 3 56.936 56.936 57.237 -0.301 25564 3303 1 7 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.395 0.876 25564 3304 1 7 . 1 1 7 7 THR HA H 7 4.470 4.470 4.332 0.138 25564 3305 1 7 . 1 1 7 7 THR CA C 7 61.923 61.923 62.307 -0.384 25564 3306 1 7 . 1 1 7 7 THR CB C 7 70.142 70.142 68.271 1.871 25564 3307 1 7 . 1 1 8 8 THR N N 8 116.706 116.706 122.459 -5.753 25564 3308 1 7 . 1 1 8 8 THR HA H 8 4.371 4.371 4.223 0.148 25564 3309 1 7 . 1 1 8 8 THR C C 8 173.590 173.590 174.738 -1.148 25564 3310 1 7 . 1 1 8 8 THR CA C 8 61.606 61.606 62.968 -1.362 25564 3311 1 7 . 1 1 8 8 THR CB C 8 70.303 70.303 69.448 0.855 25564 3312 1 7 . 1 1 8 8 THR H H 8 8.238 8.238 7.750 0.488 25564 3313 1 7 . 1 1 9 9 ALA N N 9 127.030 127.030 128.250 -1.220 25564 3314 1 7 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.154 0.139 25564 3315 1 7 . 1 1 9 9 ALA C C 9 175.005 175.005 175.067 -0.062 25564 3316 1 7 . 1 1 9 9 ALA CA C 9 50.813 50.813 51.646 -0.833 25564 3317 1 7 . 1 1 9 9 ALA CB C 9 18.430 18.430 17.479 0.952 25564 3318 1 7 . 1 1 9 9 ALA H H 9 8.220 8.220 8.261 -0.041 25564 3319 1 7 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.491 -0.162 25564 3320 1 7 . 1 1 10 10 PRO C C 10 175.138 175.138 175.780 -0.642 25564 3321 1 7 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.180 0.617 25564 3322 1 7 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.666 -0.829 25564 3323 1 7 . 1 1 11 11 ASP N N 11 116.244 116.244 118.892 -2.648 25564 3324 1 7 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.621 -0.211 25564 3325 1 7 . 1 1 11 11 ASP C C 11 174.009 174.009 176.313 -2.304 25564 3326 1 7 . 1 1 11 11 ASP CA C 11 53.383 53.383 54.414 -1.031 25564 3327 1 7 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.227 -2.398 25564 3328 1 7 . 1 1 11 11 ASP H H 11 9.038 9.038 8.424 0.614 25564 3329 1 7 . 1 1 12 12 ALA N N 12 120.012 120.012 123.095 -3.083 25564 3330 1 7 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.692 -0.225 25564 3331 1 7 . 1 1 12 12 ALA C C 12 175.669 175.669 174.947 0.722 25564 3332 1 7 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.322 0.918 25564 3333 1 7 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.735 -0.825 25564 3334 1 7 . 1 1 12 12 ALA H H 12 7.944 7.944 8.302 -0.358 25564 3335 1 7 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.000 -0.511 25564 3336 1 7 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.454 -0.129 25564 3337 1 7 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.431 0.398 25564 3338 1 7 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.395 0.091 25564 3339 1 7 . 1 1 14 14 PRO C C 14 175.966 175.966 176.717 -0.751 25564 3340 1 7 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.418 0.577 25564 3341 1 7 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.313 0.316 25564 3342 1 7 . 1 1 15 15 ASP N N 15 117.405 117.405 118.054 -0.649 25564 3343 1 7 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.457 0.101 25564 3344 1 7 . 1 1 15 15 ASP C C 15 173.011 173.011 174.710 -1.699 25564 3345 1 7 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.648 0.583 25564 3346 1 7 . 1 1 15 15 ASP CB C 15 41.322 41.322 39.875 1.447 25564 3347 1 7 . 1 1 15 15 ASP H H 15 8.470 8.470 8.444 0.026 25564 3348 1 7 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.738 0.614 25564 3349 1 7 . 1 1 16 16 PRO C C 16 177.534 177.534 176.317 1.217 25564 3350 1 7 . 1 1 16 16 PRO CA C 16 63.604 63.604 62.947 0.657 25564 3351 1 7 . 1 1 16 16 PRO CB C 16 31.484 31.484 33.164 -1.680 25564 3352 1 7 . 1 1 17 17 THR N N 17 117.955 117.955 118.074 -0.119 25564 3353 1 7 . 1 1 17 17 THR HA H 17 4.563 4.563 4.596 -0.033 25564 3354 1 7 . 1 1 17 17 THR C C 17 172.578 172.578 174.253 -1.675 25564 3355 1 7 . 1 1 17 17 THR CA C 17 61.093 61.093 61.588 -0.495 25564 3356 1 7 . 1 1 17 17 THR CB C 17 72.478 72.478 70.948 1.530 25564 3357 1 7 . 1 1 17 17 THR H H 17 9.415 9.415 8.645 0.770 25564 3358 1 7 . 1 1 18 18 VAL N N 18 124.494 124.494 128.219 -3.725 25564 3359 1 7 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.245 0.127 25564 3360 1 7 . 1 1 18 18 VAL C C 18 175.392 175.392 175.678 -0.286 25564 3361 1 7 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.868 -0.018 25564 3362 1 7 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.456 -0.382 25564 3363 1 7 . 1 1 18 18 VAL H H 18 8.645 8.645 8.762 -0.117 25564 3364 1 7 . 1 1 19 19 ASP N N 19 129.904 129.904 128.156 1.748 25564 3365 1 7 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.581 0.142 25564 3366 1 7 . 1 1 19 19 ASP C C 19 175.427 175.427 175.710 -0.283 25564 3367 1 7 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.579 -0.676 25564 3368 1 7 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.050 2.221 25564 3369 1 7 . 1 1 19 19 ASP H H 19 8.805 8.805 8.681 0.124 25564 3370 1 7 . 1 1 20 20 GLN N N 20 115.835 115.835 117.885 -2.050 25564 3371 1 7 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.667 -0.217 25564 3372 1 7 . 1 1 20 20 GLN C C 20 173.593 173.593 173.953 -0.360 25564 3373 1 7 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.815 1.131 25564 3374 1 7 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.092 -1.103 25564 3375 1 7 . 1 1 20 20 GLN H H 20 7.431 7.431 7.767 -0.336 25564 3376 1 7 . 1 1 21 21 VAL N N 21 122.956 122.956 117.172 5.784 25564 3377 1 7 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.658 0.061 25564 3378 1 7 . 1 1 21 21 VAL C C 21 173.753 173.753 174.222 -0.469 25564 3379 1 7 . 1 1 21 21 VAL CA C 21 61.319 61.319 59.955 1.364 25564 3380 1 7 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.835 1.168 25564 3381 1 7 . 1 1 21 21 VAL H H 21 8.317 8.317 8.408 -0.091 25564 3382 1 7 . 1 1 22 22 ASP N N 22 129.722 129.722 126.788 2.934 25564 3383 1 7 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.186 -0.432 25564 3384 1 7 . 1 1 22 22 ASP C C 22 176.114 176.114 176.859 -0.745 25564 3385 1 7 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.485 1.154 25564 3386 1 7 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.696 -3.319 25564 3387 1 7 . 1 1 22 22 ASP H H 22 8.778 8.778 8.737 0.041 25564 3388 1 7 . 1 1 23 23 ASP N N 23 115.970 115.970 118.849 -2.879 25564 3389 1 7 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.408 0.226 25564 3390 1 7 . 1 1 23 23 ASP C C 23 175.820 175.820 176.069 -0.249 25564 3391 1 7 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.250 -0.923 25564 3392 1 7 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.884 0.022 25564 3393 1 7 . 1 1 23 23 ASP H H 23 8.049 8.049 8.659 -0.610 25564 3394 1 7 . 1 1 24 24 THR N N 24 97.756 97.756 107.370 -9.614 25564 3395 1 7 . 1 1 24 24 THR HA H 24 4.566 4.566 4.604 -0.038 25564 3396 1 7 . 1 1 24 24 THR C C 24 174.274 174.274 173.296 0.978 25564 3397 1 7 . 1 1 24 24 THR CA C 24 59.595 59.595 59.810 -0.215 25564 3398 1 7 . 1 1 24 24 THR CB C 24 71.670 71.670 68.186 3.484 25564 3399 1 7 . 1 1 24 24 THR H H 24 7.392 7.392 8.013 -0.621 25564 3400 1 7 . 1 1 25 25 SER N N 25 116.249 116.249 115.195 1.054 25564 3401 1 7 . 1 1 25 25 SER HA H 25 5.440 5.440 5.315 0.125 25564 3402 1 7 . 1 1 25 25 SER C C 25 171.891 171.891 171.931 -0.040 25564 3403 1 7 . 1 1 25 25 SER CA C 25 57.670 57.670 58.102 -0.432 25564 3404 1 7 . 1 1 25 25 SER CB C 25 67.439 67.439 65.807 1.632 25564 3405 1 7 . 1 1 25 25 SER H H 25 7.693 7.693 7.327 0.366 25564 3406 1 7 . 1 1 26 26 ILE N N 26 118.594 118.594 121.939 -3.345 25564 3407 1 7 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.852 -0.438 25564 3408 1 7 . 1 1 26 26 ILE C C 26 174.020 174.020 173.757 0.263 25564 3409 1 7 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.676 0.458 25564 3410 1 7 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.890 2.198 25564 3411 1 7 . 1 1 26 26 ILE H H 26 8.141 8.141 8.709 -0.568 25564 3412 1 7 . 1 1 27 27 VAL N N 27 126.778 126.778 125.703 1.075 25564 3413 1 7 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.148 -0.175 25564 3414 1 7 . 1 1 27 27 VAL C C 27 175.692 175.692 174.647 1.045 25564 3415 1 7 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.465 0.984 25564 3416 1 7 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.800 0.013 25564 3417 1 7 . 1 1 27 27 VAL H H 27 8.642 8.642 8.763 -0.121 25564 3418 1 7 . 1 1 28 28 VAL N N 28 127.624 127.624 124.079 3.545 25564 3419 1 7 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.917 -0.057 25564 3420 1 7 . 1 1 28 28 VAL C C 28 173.467 173.467 173.708 -0.241 25564 3421 1 7 . 1 1 28 28 VAL CA C 28 60.454 60.454 58.954 1.500 25564 3422 1 7 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.474 -0.522 25564 3423 1 7 . 1 1 28 28 VAL H H 28 8.656 8.656 8.924 -0.268 25564 3424 1 7 . 1 1 29 29 ARG N N 29 123.905 123.905 125.161 -1.256 25564 3425 1 7 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.890 -0.173 25564 3426 1 7 . 1 1 29 29 ARG C C 29 174.147 174.147 175.155 -1.008 25564 3427 1 7 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.585 0.281 25564 3428 1 7 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.950 1.240 25564 3429 1 7 . 1 1 29 29 ARG H H 29 9.075 9.075 8.435 0.640 25564 3430 1 7 . 1 1 30 30 TRP N N 30 116.284 116.284 123.578 -7.294 25564 3431 1 7 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.107 -0.261 25564 3432 1 7 . 1 1 30 30 TRP C C 30 174.778 174.778 175.180 -0.402 25564 3433 1 7 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.752 2.783 25564 3434 1 7 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.806 -0.508 25564 3435 1 7 . 1 1 30 30 TRP H H 30 7.512 7.512 7.982 -0.470 25564 3436 1 7 . 1 1 31 31 SER HA H 31 4.747 4.747 4.601 0.146 25564 3437 1 7 . 1 1 31 31 SER C C 31 172.773 172.773 174.622 -1.849 25564 3438 1 7 . 1 1 31 31 SER CA C 31 57.875 57.875 57.364 0.511 25564 3439 1 7 . 1 1 31 31 SER CB C 31 64.093 64.093 63.286 0.807 25564 3440 1 7 . 1 1 32 32 ARG N N 32 122.062 122.062 127.105 -5.043 25564 3441 1 7 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.762 0.117 25564 3442 1 7 . 1 1 32 32 ARG C C 32 175.788 175.788 175.216 0.572 25564 3443 1 7 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.759 -0.474 25564 3444 1 7 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.091 2.329 25564 3445 1 7 . 1 1 32 32 ARG H H 32 8.337 8.337 7.915 0.422 25564 3446 1 7 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.578 -0.102 25564 3447 1 7 . 1 1 33 33 PRO C C 33 175.739 175.739 176.810 -1.071 25564 3448 1 7 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.000 0.966 25564 3449 1 7 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.938 0.037 25564 3450 1 7 . 1 1 34 34 GLN N N 34 122.510 122.510 119.257 3.253 25564 3451 1 7 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.402 -0.248 25564 3452 1 7 . 1 1 34 34 GLN C C 34 177.396 177.396 175.891 1.505 25564 3453 1 7 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.225 1.278 25564 3454 1 7 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.762 0.884 25564 3455 1 7 . 1 1 34 34 GLN H H 34 10.310 10.310 8.585 1.725 25564 3456 1 7 . 1 1 35 35 ALA N N 35 123.797 123.797 123.452 0.345 25564 3457 1 7 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.378 0.100 25564 3458 1 7 . 1 1 35 35 ALA C C 35 174.959 174.959 175.211 -0.252 25564 3459 1 7 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.108 0.759 25564 3460 1 7 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.907 0.264 25564 3461 1 7 . 1 1 35 35 ALA H H 35 8.725 8.725 7.702 1.023 25564 3462 1 7 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.490 0.093 25564 3463 1 7 . 1 1 36 36 PRO C C 36 175.555 175.555 175.806 -0.251 25564 3464 1 7 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.117 -0.115 25564 3465 1 7 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.439 -1.464 25564 3466 1 7 . 1 1 37 37 ILE N N 37 114.656 114.656 118.299 -3.643 25564 3467 1 7 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.626 -0.226 25564 3468 1 7 . 1 1 37 37 ILE C C 37 176.204 176.204 175.829 0.375 25564 3469 1 7 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.907 2.204 25564 3470 1 7 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.768 0.874 25564 3471 1 7 . 1 1 37 37 ILE H H 37 7.946 7.946 7.913 0.033 25564 3472 1 7 . 1 1 38 38 THR N N 38 109.332 109.332 113.404 -4.072 25564 3473 1 7 . 1 1 38 38 THR HA H 38 4.576 4.576 4.623 -0.047 25564 3474 1 7 . 1 1 38 38 THR C C 38 175.325 175.325 175.403 -0.078 25564 3475 1 7 . 1 1 38 38 THR CA C 38 61.858 61.858 62.292 -0.434 25564 3476 1 7 . 1 1 38 38 THR CB C 38 69.971 69.971 70.035 -0.064 25564 3477 1 7 . 1 1 38 38 THR H H 38 9.767 9.767 8.924 0.843 25564 3478 1 7 . 1 1 39 39 GLY N N 39 109.326 109.326 109.397 -0.071 25564 3479 1 7 . 1 1 39 39 GLY C C 39 169.390 169.390 171.888 -2.498 25564 3480 1 7 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.859 -0.219 25564 3481 1 7 . 1 1 39 39 GLY H H 39 7.641 7.641 7.930 -0.289 25564 3482 1 7 . 1 1 40 40 TYR N N 40 113.638 113.638 118.226 -4.588 25564 3483 1 7 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.691 -0.339 25564 3484 1 7 . 1 1 40 40 TYR C C 40 174.719 174.719 175.088 -0.369 25564 3485 1 7 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.680 0.309 25564 3486 1 7 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.074 0.245 25564 3487 1 7 . 1 1 40 40 TYR H H 40 8.470 8.470 8.707 -0.237 25564 3488 1 7 . 1 1 41 41 ARG N N 41 125.140 125.140 121.905 3.235 25564 3489 1 7 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.320 -0.038 25564 3490 1 7 . 1 1 41 41 ARG C C 41 173.714 173.714 175.133 -1.419 25564 3491 1 7 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.960 1.809 25564 3492 1 7 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.505 2.196 25564 3493 1 7 . 1 1 41 41 ARG H H 41 9.148 9.148 8.935 0.213 25564 3494 1 7 . 1 1 42 42 ILE N N 42 126.999 126.999 122.374 4.625 25564 3495 1 7 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.162 0.180 25564 3496 1 7 . 1 1 42 42 ILE C C 42 174.706 174.706 174.950 -0.244 25564 3497 1 7 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.797 -2.014 25564 3498 1 7 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.695 -0.301 25564 3499 1 7 . 1 1 42 42 ILE H H 42 9.237 9.237 8.791 0.446 25564 3500 1 7 . 1 1 43 43 VAL N N 43 126.775 126.775 128.920 -2.145 25564 3501 1 7 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.862 0.486 25564 3502 1 7 . 1 1 43 43 VAL C C 43 175.795 175.795 175.440 0.355 25564 3503 1 7 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.111 -0.506 25564 3504 1 7 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.962 2.217 25564 3505 1 7 . 1 1 43 43 VAL H H 43 9.369 9.369 9.013 0.356 25564 3506 1 7 . 1 1 44 44 TYR N N 44 122.788 122.788 126.098 -3.310 25564 3507 1 7 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.036 0.208 25564 3508 1 7 . 1 1 44 44 TYR C C 44 174.353 174.353 174.953 -0.600 25564 3509 1 7 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.452 0.958 25564 3510 1 7 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.076 3.274 25564 3511 1 7 . 1 1 44 44 TYR H H 44 9.253 9.253 8.793 0.460 25564 3512 1 7 . 1 1 45 45 SER N N 45 114.339 114.339 116.045 -1.706 25564 3513 1 7 . 1 1 45 45 SER HA H 45 5.208 5.208 4.999 0.209 25564 3514 1 7 . 1 1 45 45 SER C C 45 171.693 171.693 171.947 -0.254 25564 3515 1 7 . 1 1 45 45 SER CA C 45 55.870 55.870 55.383 0.487 25564 3516 1 7 . 1 1 45 45 SER CB C 45 65.646 65.646 65.296 0.350 25564 3517 1 7 . 1 1 45 45 SER H H 45 8.797 8.797 9.061 -0.264 25564 3518 1 7 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.719 -0.333 25564 3519 1 7 . 1 1 46 46 PRO C C 46 177.666 177.666 176.641 1.025 25564 3520 1 7 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.801 0.891 25564 3521 1 7 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.106 -0.089 25564 3522 1 7 . 1 1 47 47 SER N N 47 118.732 118.732 117.136 1.596 25564 3523 1 7 . 1 1 47 47 SER HA H 47 4.069 4.069 4.353 -0.284 25564 3524 1 7 . 1 1 47 47 SER C C 47 175.055 175.055 175.545 -0.490 25564 3525 1 7 . 1 1 47 47 SER CA C 47 60.992 60.992 60.492 0.500 25564 3526 1 7 . 1 1 47 47 SER CB C 47 63.541 63.541 63.532 0.009 25564 3527 1 7 . 1 1 47 47 SER H H 47 8.648 8.648 8.281 0.367 25564 3528 1 7 . 1 1 48 48 VAL N N 48 117.213 117.213 116.151 1.062 25564 3529 1 7 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.261 -0.179 25564 3530 1 7 . 1 1 48 48 VAL C C 48 175.456 175.456 175.670 -0.214 25564 3531 1 7 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.834 0.153 25564 3532 1 7 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.283 0.586 25564 3533 1 7 . 1 1 48 48 VAL H H 48 7.640 7.640 7.813 -0.173 25564 3534 1 7 . 1 1 49 49 GLU N N 49 119.528 119.528 122.599 -3.071 25564 3535 1 7 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.383 -0.235 25564 3536 1 7 . 1 1 49 49 GLU C C 49 176.081 176.081 176.682 -0.601 25564 3537 1 7 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.077 1.097 25564 3538 1 7 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.086 0.082 25564 3539 1 7 . 1 1 49 49 GLU H H 49 8.150 8.150 7.568 0.582 25564 3540 1 7 . 1 1 50 50 GLY N N 50 108.013 108.013 107.661 0.352 25564 3541 1 7 . 1 1 50 50 GLY C C 50 173.617 173.617 174.625 -1.008 25564 3542 1 7 . 1 1 50 50 GLY CA C 50 45.410 45.410 45.108 0.302 25564 3543 1 7 . 1 1 50 50 GLY H H 50 8.144 8.144 8.596 -0.452 25564 3544 1 7 . 1 1 51 51 SER N N 51 115.893 115.893 118.261 -2.368 25564 3545 1 7 . 1 1 51 51 SER HA H 51 4.604 4.604 4.474 0.130 25564 3546 1 7 . 1 1 51 51 SER CA C 51 58.145 58.145 58.838 -0.693 25564 3547 1 7 . 1 1 51 51 SER CB C 51 64.429 64.429 63.285 1.144 25564 3548 1 7 . 1 1 51 51 SER H H 51 8.248 8.248 8.488 -0.240 25564 3549 1 7 . 1 1 52 52 SER HA H 52 4.795 4.795 5.633 -0.838 25564 3550 1 7 . 1 1 52 52 SER C C 52 173.840 173.840 173.686 0.154 25564 3551 1 7 . 1 1 52 52 SER CA C 52 58.319 58.319 57.198 1.121 25564 3552 1 7 . 1 1 52 52 SER CB C 52 65.231 65.231 66.987 -1.756 25564 3553 1 7 . 1 1 53 53 THR N N 53 121.052 121.052 118.808 2.244 25564 3554 1 7 . 1 1 53 53 THR HA H 53 4.294 4.294 4.457 -0.163 25564 3555 1 7 . 1 1 53 53 THR C C 53 171.241 171.241 171.669 -0.428 25564 3556 1 7 . 1 1 53 53 THR CA C 53 62.799 62.799 61.358 1.441 25564 3557 1 7 . 1 1 53 53 THR CB C 53 70.995 70.995 72.009 -1.014 25564 3558 1 7 . 1 1 53 53 THR H H 53 8.344 8.344 8.495 -0.151 25564 3559 1 7 . 1 1 54 54 GLU N N 54 125.190 125.190 125.509 -0.319 25564 3560 1 7 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.538 0.076 25564 3561 1 7 . 1 1 54 54 GLU C C 54 175.175 175.175 175.482 -0.307 25564 3562 1 7 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.378 0.134 25564 3563 1 7 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.475 2.196 25564 3564 1 7 . 1 1 54 54 GLU H H 54 8.458 8.458 8.451 0.007 25564 3565 1 7 . 1 1 55 55 LEU N N 55 125.745 125.745 126.461 -0.716 25564 3566 1 7 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.666 0.189 25564 3567 1 7 . 1 1 55 55 LEU C C 55 175.121 175.121 175.281 -0.160 25564 3568 1 7 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.901 0.105 25564 3569 1 7 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.638 1.098 25564 3570 1 7 . 1 1 55 55 LEU H H 55 9.755 9.755 8.721 1.034 25564 3571 1 7 . 1 1 56 56 ASN N N 56 120.517 120.517 120.347 0.170 25564 3572 1 7 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.623 -0.059 25564 3573 1 7 . 1 1 56 56 ASN C C 56 174.180 174.180 174.169 0.011 25564 3574 1 7 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.213 1.062 25564 3575 1 7 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.994 1.457 25564 3576 1 7 . 1 1 56 56 ASN H H 56 8.727 8.727 8.507 0.220 25564 3577 1 7 . 1 1 57 57 LEU N N 57 123.534 123.534 126.382 -2.848 25564 3578 1 7 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.054 0.081 25564 3579 1 7 . 1 1 57 57 LEU C C 57 174.960 174.960 175.076 -0.116 25564 3580 1 7 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.572 0.553 25564 3581 1 7 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.242 0.566 25564 3582 1 7 . 1 1 57 57 LEU H H 57 9.075 9.075 8.695 0.380 25564 3583 1 7 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.615 0.440 25564 3584 1 7 . 1 1 58 58 PRO C C 58 176.897 176.897 178.477 -1.580 25564 3585 1 7 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.523 0.067 25564 3586 1 7 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.207 1.660 25564 3587 1 7 . 1 1 59 59 GLU N N 59 117.522 117.522 120.779 -3.257 25564 3588 1 7 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.128 -0.147 25564 3589 1 7 . 1 1 59 59 GLU C C 59 175.246 175.246 176.624 -1.378 25564 3590 1 7 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.718 -0.813 25564 3591 1 7 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.788 0.136 25564 3592 1 7 . 1 1 59 59 GLU H H 59 8.905 8.905 8.810 0.095 25564 3593 1 7 . 1 1 60 60 THR N N 60 106.153 106.153 112.117 -5.964 25564 3594 1 7 . 1 1 60 60 THR HA H 60 4.155 4.155 4.436 -0.281 25564 3595 1 7 . 1 1 60 60 THR C C 60 175.087 175.087 173.458 1.629 25564 3596 1 7 . 1 1 60 60 THR CA C 60 61.646 61.646 60.718 0.929 25564 3597 1 7 . 1 1 60 60 THR CB C 60 69.638 69.638 68.112 1.526 25564 3598 1 7 . 1 1 60 60 THR H H 60 7.056 7.056 7.872 -0.816 25564 3599 1 7 . 1 1 61 61 ALA N N 61 125.590 125.590 124.489 1.101 25564 3600 1 7 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.192 0.158 25564 3601 1 7 . 1 1 61 61 ALA C C 61 176.988 176.988 175.680 1.308 25564 3602 1 7 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.426 1.044 25564 3603 1 7 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.902 1.322 25564 3604 1 7 . 1 1 61 61 ALA H H 61 7.808 7.808 8.363 -0.555 25564 3605 1 7 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.788 -0.125 25564 3606 1 7 . 1 1 62 62 ASN C C 62 171.666 171.666 172.765 -1.099 25564 3607 1 7 . 1 1 62 62 ASN CA C 62 52.178 52.178 51.940 0.238 25564 3608 1 7 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.968 -0.292 25564 3609 1 7 . 1 1 63 63 SER N N 63 109.802 109.802 113.589 -3.787 25564 3610 1 7 . 1 1 63 63 SER HA H 63 4.341 4.341 4.533 -0.192 25564 3611 1 7 . 1 1 63 63 SER C C 63 172.378 172.378 172.371 0.007 25564 3612 1 7 . 1 1 63 63 SER CA C 63 56.541 56.541 57.162 -0.621 25564 3613 1 7 . 1 1 63 63 SER CB C 63 65.498 65.498 64.984 0.514 25564 3614 1 7 . 1 1 63 63 SER H H 63 6.764 6.764 6.677 0.087 25564 3615 1 7 . 1 1 64 64 VAL N N 64 117.873 117.873 121.738 -3.865 25564 3616 1 7 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.469 -0.029 25564 3617 1 7 . 1 1 64 64 VAL C C 64 171.395 171.395 174.442 -3.047 25564 3618 1 7 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.359 1.385 25564 3619 1 7 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.825 0.266 25564 3620 1 7 . 1 1 64 64 VAL H H 64 8.793 8.793 8.778 0.015 25564 3621 1 7 . 1 1 65 65 THR N N 65 123.328 123.328 124.187 -0.859 25564 3622 1 7 . 1 1 65 65 THR HA H 65 4.703 4.703 4.556 0.147 25564 3623 1 7 . 1 1 65 65 THR C C 65 173.608 173.608 174.251 -0.643 25564 3624 1 7 . 1 1 65 65 THR CA C 65 62.094 62.094 62.176 -0.082 25564 3625 1 7 . 1 1 65 65 THR CB C 65 69.754 69.754 68.274 1.480 25564 3626 1 7 . 1 1 65 65 THR H H 65 8.377 8.377 8.480 -0.103 25564 3627 1 7 . 1 1 66 66 LEU N N 66 130.029 130.029 126.727 3.302 25564 3628 1 7 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.299 0.052 25564 3629 1 7 . 1 1 66 66 LEU C C 66 174.738 174.738 176.262 -1.524 25564 3630 1 7 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.366 -0.808 25564 3631 1 7 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.032 -0.826 25564 3632 1 7 . 1 1 66 66 LEU H H 66 9.232 9.232 8.684 0.548 25564 3633 1 7 . 1 1 67 67 SER N N 67 117.107 117.107 115.321 1.786 25564 3634 1 7 . 1 1 67 67 SER HA H 67 4.936 4.936 5.014 -0.078 25564 3635 1 7 . 1 1 67 67 SER C C 67 172.509 172.509 173.925 -1.416 25564 3636 1 7 . 1 1 67 67 SER CA C 67 57.340 57.340 56.596 0.744 25564 3637 1 7 . 1 1 67 67 SER CB C 67 66.115 66.115 65.281 0.834 25564 3638 1 7 . 1 1 67 67 SER H H 67 8.174 8.174 8.342 -0.168 25564 3639 1 7 . 1 1 68 68 ASP N N 68 116.924 116.924 119.199 -2.275 25564 3640 1 7 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.292 0.062 25564 3641 1 7 . 1 1 68 68 ASP C C 68 175.654 175.654 175.563 0.091 25564 3642 1 7 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.762 -0.160 25564 3643 1 7 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.373 -0.659 25564 3644 1 7 . 1 1 68 68 ASP H H 68 9.003 9.003 8.303 0.700 25564 3645 1 7 . 1 1 69 69 LEU N N 69 116.713 116.713 117.116 -0.403 25564 3646 1 7 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.146 0.190 25564 3647 1 7 . 1 1 69 69 LEU C C 69 175.793 175.793 176.707 -0.914 25564 3648 1 7 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.429 -1.882 25564 3649 1 7 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.301 -1.267 25564 3650 1 7 . 1 1 69 69 LEU H H 69 8.605 8.605 6.915 1.690 25564 3651 1 7 . 1 1 70 70 GLN N N 70 118.301 118.301 118.762 -0.461 25564 3652 1 7 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.885 -0.119 25564 3653 1 7 . 1 1 70 70 GLN C C 70 174.178 174.178 173.677 0.501 25564 3654 1 7 . 1 1 70 70 GLN CA C 70 52.948 52.948 51.921 1.027 25564 3655 1 7 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.162 -0.536 25564 3656 1 7 . 1 1 70 70 GLN H H 70 8.288 8.288 8.248 0.040 25564 3657 1 7 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.303 0.949 25564 3658 1 7 . 1 1 71 71 PRO C C 71 177.837 177.837 177.378 0.459 25564 3659 1 7 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.961 -0.863 25564 3660 1 7 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.813 1.580 25564 3661 1 7 . 1 1 72 72 GLY N N 72 111.077 111.077 111.520 -0.443 25564 3662 1 7 . 1 1 72 72 GLY C C 72 174.621 174.621 173.391 1.230 25564 3663 1 7 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.349 1.877 25564 3664 1 7 . 1 1 72 72 GLY H H 72 7.348 7.348 8.415 -1.067 25564 3665 1 7 . 1 1 73 73 VAL N N 73 120.434 120.434 118.487 1.947 25564 3666 1 7 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.422 -0.310 25564 3667 1 7 . 1 1 73 73 VAL C C 73 173.963 173.963 174.498 -0.535 25564 3668 1 7 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.558 1.136 25564 3669 1 7 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.907 -0.484 25564 3670 1 7 . 1 1 73 73 VAL H H 73 7.670 7.670 8.180 -0.510 25564 3671 1 7 . 1 1 74 74 GLN N N 74 123.606 123.606 123.839 -0.233 25564 3672 1 7 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.590 -0.383 25564 3673 1 7 . 1 1 74 74 GLN C C 74 174.283 174.283 174.870 -0.587 25564 3674 1 7 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.441 1.064 25564 3675 1 7 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.511 1.964 25564 3676 1 7 . 1 1 74 74 GLN H H 74 8.263 8.263 8.701 -0.439 25564 3677 1 7 . 1 1 75 75 TYR N N 75 127.153 127.153 128.981 -1.828 25564 3678 1 7 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.845 -0.105 25564 3679 1 7 . 1 1 75 75 TYR C C 75 174.412 174.412 174.999 -0.587 25564 3680 1 7 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.848 1.335 25564 3681 1 7 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.077 0.804 25564 3682 1 7 . 1 1 75 75 TYR H H 75 8.916 8.916 9.191 -0.275 25564 3683 1 7 . 1 1 76 76 ASN N N 76 120.363 120.363 123.768 -3.405 25564 3684 1 7 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.091 0.102 25564 3685 1 7 . 1 1 76 76 ASN C C 76 174.903 174.903 174.442 0.461 25564 3686 1 7 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.447 0.392 25564 3687 1 7 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.960 1.379 25564 3688 1 7 . 1 1 76 76 ASN H H 76 9.014 9.014 9.026 -0.012 25564 3689 1 7 . 1 1 77 77 ILE N N 77 127.376 127.376 127.661 -0.285 25564 3690 1 7 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.404 0.244 25564 3691 1 7 . 1 1 77 77 ILE C C 77 173.510 173.510 175.119 -1.609 25564 3692 1 7 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.193 0.163 25564 3693 1 7 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.310 2.601 25564 3694 1 7 . 1 1 77 77 ILE H H 77 9.466 9.466 9.005 0.461 25564 3695 1 7 . 1 1 78 78 THR N N 78 124.282 124.282 126.572 -2.290 25564 3696 1 7 . 1 1 78 78 THR HA H 78 5.117 5.117 5.486 -0.369 25564 3697 1 7 . 1 1 78 78 THR C C 78 173.140 173.140 173.851 -0.711 25564 3698 1 7 . 1 1 78 78 THR CA C 78 61.961 61.961 61.241 0.720 25564 3699 1 7 . 1 1 78 78 THR CB C 78 70.244 70.244 69.626 0.618 25564 3700 1 7 . 1 1 78 78 THR H H 78 9.535 9.535 8.828 0.707 25564 3701 1 7 . 1 1 79 79 ILE N N 79 125.033 125.033 126.213 -1.180 25564 3702 1 7 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.314 0.277 25564 3703 1 7 . 1 1 79 79 ILE C C 79 173.827 173.827 174.730 -0.903 25564 3704 1 7 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.445 2.303 25564 3705 1 7 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.299 2.971 25564 3706 1 7 . 1 1 79 79 ILE H H 79 8.974 8.974 8.313 0.661 25564 3707 1 7 . 1 1 80 80 TYR N N 80 122.647 122.647 124.555 -1.908 25564 3708 1 7 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.625 -0.106 25564 3709 1 7 . 1 1 80 80 TYR C C 80 177.072 177.072 173.884 3.188 25564 3710 1 7 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.698 0.703 25564 3711 1 7 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.464 0.436 25564 3712 1 7 . 1 1 80 80 TYR H H 80 9.137 9.137 8.931 0.206 25564 3713 1 7 . 1 1 81 81 ALA N N 81 124.412 124.412 128.611 -4.199 25564 3714 1 7 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.197 1.556 25564 3715 1 7 . 1 1 81 81 ALA C C 81 175.811 175.811 175.311 0.500 25564 3716 1 7 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.775 0.882 25564 3717 1 7 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.783 2.533 25564 3718 1 7 . 1 1 81 81 ALA H H 81 8.764 8.764 8.591 0.173 25564 3719 1 7 . 1 1 82 82 VAL N N 82 120.278 120.278 124.088 -3.810 25564 3720 1 7 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.372 0.241 25564 3721 1 7 . 1 1 82 82 VAL C C 82 174.662 174.662 174.251 0.411 25564 3722 1 7 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.235 0.944 25564 3723 1 7 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.250 0.421 25564 3724 1 7 . 1 1 82 82 VAL H H 82 8.276 8.276 8.468 -0.192 25564 3725 1 7 . 1 1 83 83 GLU N N 83 127.125 127.125 127.518 -0.393 25564 3726 1 7 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.624 -0.087 25564 3727 1 7 . 1 1 83 83 GLU C C 83 175.133 175.133 175.959 -0.826 25564 3728 1 7 . 1 1 83 83 GLU CA C 83 56.000 56.000 53.985 2.015 25564 3729 1 7 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.374 -0.658 25564 3730 1 7 . 1 1 83 83 GLU H H 83 8.849 8.849 8.853 -0.004 25564 3731 1 7 . 1 1 84 84 GLU N N 84 125.009 125.009 122.259 2.750 25564 3732 1 7 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.999 -0.317 25564 3733 1 7 . 1 1 84 84 GLU C C 84 174.988 174.988 177.551 -2.563 25564 3734 1 7 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.229 0.133 25564 3735 1 7 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.831 -2.109 25564 3736 1 7 . 1 1 84 84 GLU H H 84 8.952 8.952 8.847 0.105 25564 3737 1 7 . 1 1 85 85 ASN N N 85 119.010 119.010 114.177 4.833 25564 3738 1 7 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.733 -0.027 25564 3739 1 7 . 1 1 85 85 ASN C C 85 174.499 174.499 175.042 -0.543 25564 3740 1 7 . 1 1 85 85 ASN CA C 85 53.953 53.953 54.188 -0.235 25564 3741 1 7 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.944 -0.914 25564 3742 1 7 . 1 1 85 85 ASN H H 85 8.412 8.412 8.485 -0.073 25564 3743 1 7 . 1 1 86 86 GLN N N 86 119.080 119.080 117.687 1.393 25564 3744 1 7 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.668 -0.064 25564 3745 1 7 . 1 1 86 86 GLN C C 86 174.270 174.270 173.884 0.386 25564 3746 1 7 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.643 0.649 25564 3747 1 7 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.598 -0.587 25564 3748 1 7 . 1 1 86 86 GLN H H 86 8.086 8.086 7.744 0.342 25564 3749 1 7 . 1 1 87 87 GLU N N 87 120.589 120.589 119.779 0.810 25564 3750 1 7 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.906 0.308 25564 3751 1 7 . 1 1 87 87 GLU C C 87 176.092 176.092 176.249 -0.157 25564 3752 1 7 . 1 1 87 87 GLU CA C 87 54.722 54.722 54.969 -0.247 25564 3753 1 7 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.293 1.422 25564 3754 1 7 . 1 1 87 87 GLU H H 87 8.498 8.498 8.596 -0.098 25564 3755 1 7 . 1 1 88 88 SER N N 88 116.013 116.013 119.390 -3.377 25564 3756 1 7 . 1 1 88 88 SER HA H 88 4.547 4.547 4.625 -0.078 25564 3757 1 7 . 1 1 88 88 SER C C 88 175.202 175.202 175.216 -0.014 25564 3758 1 7 . 1 1 88 88 SER CA C 88 58.211 58.211 58.747 -0.536 25564 3759 1 7 . 1 1 88 88 SER CB C 88 66.959 66.959 64.290 2.669 25564 3760 1 7 . 1 1 88 88 SER H H 88 8.954 8.954 8.757 0.197 25564 3761 1 7 . 1 1 89 89 THR N N 89 114.798 114.798 114.688 0.110 25564 3762 1 7 . 1 1 89 89 THR HA H 89 4.520 4.520 4.349 0.171 25564 3763 1 7 . 1 1 89 89 THR C C 89 173.754 173.754 173.221 0.533 25564 3764 1 7 . 1 1 89 89 THR CA C 89 61.673 61.673 61.287 0.386 25564 3765 1 7 . 1 1 89 89 THR CB C 89 69.286 69.286 68.534 0.752 25564 3766 1 7 . 1 1 89 89 THR H H 89 8.559 8.559 8.343 0.216 25564 3767 1 7 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.400 -0.245 25564 3768 1 7 . 1 1 90 90 PRO C C 90 177.970 177.970 176.351 1.619 25564 3769 1 7 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.910 0.815 25564 3770 1 7 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.806 -0.403 25564 3771 1 7 . 1 1 91 91 VAL N N 91 120.679 120.679 123.905 -3.226 25564 3772 1 7 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.968 0.309 25564 3773 1 7 . 1 1 91 91 VAL C C 91 173.958 173.958 174.786 -0.828 25564 3774 1 7 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.529 -0.931 25564 3775 1 7 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.789 1.158 25564 3776 1 7 . 1 1 91 91 VAL H H 91 8.189 8.189 8.400 -0.211 25564 3777 1 7 . 1 1 92 92 VAL N N 92 125.593 125.593 127.590 -1.997 25564 3778 1 7 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.769 0.238 25564 3779 1 7 . 1 1 92 92 VAL C C 92 176.045 176.045 175.416 0.629 25564 3780 1 7 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.939 0.422 25564 3781 1 7 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.392 1.742 25564 3782 1 7 . 1 1 92 92 VAL H H 92 8.300 8.300 8.454 -0.154 25564 3783 1 7 . 1 1 93 93 ILE N N 93 127.733 127.733 125.044 2.689 25564 3784 1 7 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.662 -0.246 25564 3785 1 7 . 1 1 93 93 ILE C C 93 174.071 174.071 174.555 -0.484 25564 3786 1 7 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.938 -0.100 25564 3787 1 7 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.576 2.656 25564 3788 1 7 . 1 1 93 93 ILE H H 93 9.471 9.471 9.000 0.471 25564 3789 1 7 . 1 1 94 94 GLN N N 94 123.610 123.610 126.892 -3.282 25564 3790 1 7 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.118 0.423 25564 3791 1 7 . 1 1 94 94 GLN C C 94 175.328 175.328 175.285 0.043 25564 3792 1 7 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.459 0.123 25564 3793 1 7 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.077 1.952 25564 3794 1 7 . 1 1 94 94 GLN H H 94 8.522 8.522 8.674 -0.152 25564 3795 1 7 . 1 1 95 95 GLN N N 95 123.044 123.044 124.104 -1.060 25564 3796 1 7 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.695 -0.185 25564 3797 1 7 . 1 1 95 95 GLN C C 95 173.530 173.530 174.522 -0.992 25564 3798 1 7 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.400 0.522 25564 3799 1 7 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.758 -0.235 25564 3800 1 7 . 1 1 95 95 GLN H H 95 8.893 8.893 9.040 -0.147 25564 3801 1 7 . 1 1 96 96 GLU N N 96 128.881 128.881 126.084 2.797 25564 3802 1 7 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.966 0.777 25564 3803 1 7 . 1 1 96 96 GLU C C 96 178.926 178.926 176.614 2.312 25564 3804 1 7 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.800 -0.980 25564 3805 1 7 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.464 1.061 25564 3806 1 7 . 1 1 96 96 GLU H H 96 8.913 8.913 8.695 0.218 25564 3807 1 7 . 1 1 97 97 THR N N 97 116.022 116.022 119.539 -3.517 25564 3808 1 7 . 1 1 97 97 THR HA H 97 4.344 4.344 4.384 -0.040 25564 3809 1 7 . 1 1 97 97 THR C C 97 176.660 176.660 175.747 0.913 25564 3810 1 7 . 1 1 97 97 THR CA C 97 61.453 61.453 62.823 -1.370 25564 3811 1 7 . 1 1 97 97 THR CB C 97 69.742 69.742 69.558 0.184 25564 3812 1 7 . 1 1 97 97 THR H H 97 8.740 8.740 9.020 -0.280 25564 3813 1 7 . 1 1 98 98 THR N N 98 110.068 110.068 120.841 -10.773 25564 3814 1 7 . 1 1 98 98 THR HA H 98 4.270 4.270 4.208 0.062 25564 3815 1 7 . 1 1 98 98 THR C C 98 173.859 173.859 174.641 -0.782 25564 3816 1 7 . 1 1 98 98 THR CA C 98 62.659 62.659 63.603 -0.944 25564 3817 1 7 . 1 1 98 98 THR CB C 98 69.654 69.654 69.071 0.583 25564 3818 1 7 . 1 1 98 98 THR H H 98 7.287 7.287 8.776 -1.489 25564 3819 1 7 . 1 1 99 99 GLY N N 99 103.540 103.540 108.712 -5.172 25564 3820 1 7 . 1 1 99 99 GLY C C 99 174.225 174.225 172.921 1.304 25564 3821 1 7 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.512 0.443 25564 3822 1 7 . 1 1 99 99 GLY H H 99 8.033 8.033 8.047 -0.014 25564 3823 1 7 . 1 1 100 100 THR N N 100 114.887 114.887 117.391 -2.504 25564 3824 1 7 . 1 1 100 100 THR HA H 100 4.623 4.623 4.741 -0.118 25564 3825 1 7 . 1 1 100 100 THR C C 100 172.336 172.336 173.122 -0.786 25564 3826 1 7 . 1 1 100 100 THR CA C 100 59.775 59.775 60.733 -0.957 25564 3827 1 7 . 1 1 100 100 THR CB C 100 70.644 70.644 68.921 1.723 25564 3828 1 7 . 1 1 100 100 THR H H 100 8.055 8.055 8.221 -0.166 25564 3829 1 7 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.367 0.132 25564 3830 1 7 . 1 1 101 101 PRO C C 101 177.344 177.344 176.149 1.195 25564 3831 1 7 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.396 -0.288 25564 3832 1 7 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.798 0.488 25564 3833 1 7 . 1 1 102 102 ARG N N 102 122.476 122.476 123.792 -1.316 25564 3834 1 7 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.494 -0.180 25564 3835 1 7 . 1 1 102 102 ARG C C 102 176.790 176.790 175.994 0.796 25564 3836 1 7 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.216 0.188 25564 3837 1 7 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.042 0.223 25564 3838 1 7 . 1 1 102 102 ARG H H 102 8.771 8.771 8.354 0.417 25564 3839 1 7 . 1 1 103 103 SER HA H 103 4.523 4.523 4.661 -0.138 25564 3840 1 7 . 1 1 103 103 SER CA C 103 58.311 58.311 58.259 0.052 25564 3841 1 7 . 1 1 103 103 SER CB C 103 64.168 64.168 63.289 0.879 25564 3842 1 7 . 1 1 104 104 ASP N N 104 122.461 122.461 119.413 3.048 25564 3843 1 7 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.703 -0.055 25564 3844 1 7 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.380 1.186 25564 3845 1 7 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.731 -1.348 25564 3846 1 7 . 1 1 104 104 ASP H H 104 8.418 8.418 7.528 0.890 25564 3847 1 7 . 1 1 105 105 GLY N N 105 109.250 109.250 112.299 -3.049 25564 3848 1 7 . 1 1 105 105 GLY C C 105 173.987 173.987 174.281 -0.294 25564 3849 1 7 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.298 0.475 25564 3850 1 7 . 1 1 105 105 GLY H H 105 8.390 8.390 8.683 -0.293 25564 3851 1 8 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.609 0.014 25564 3852 1 8 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.849 1.087 25564 3853 1 8 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.919 2.353 25564 3854 1 8 . 1 1 7 7 THR HA H 7 4.470 4.470 4.210 0.260 25564 3855 1 8 . 1 1 7 7 THR CA C 7 61.923 61.923 62.601 -0.678 25564 3856 1 8 . 1 1 7 7 THR CB C 7 70.142 70.142 69.025 1.117 25564 3857 1 8 . 1 1 8 8 THR N N 8 116.706 116.706 121.901 -5.195 25564 3858 1 8 . 1 1 8 8 THR HA H 8 4.371 4.371 4.254 0.117 25564 3859 1 8 . 1 1 8 8 THR C C 8 173.590 173.590 173.678 -0.088 25564 3860 1 8 . 1 1 8 8 THR CA C 8 61.606 61.606 63.362 -1.756 25564 3861 1 8 . 1 1 8 8 THR CB C 8 70.303 70.303 69.301 1.002 25564 3862 1 8 . 1 1 8 8 THR H H 8 8.238 8.238 8.367 -0.129 25564 3863 1 8 . 1 1 9 9 ALA N N 9 127.030 127.030 130.995 -3.965 25564 3864 1 8 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.664 -0.371 25564 3865 1 8 . 1 1 9 9 ALA C C 9 175.005 175.005 175.237 -0.232 25564 3866 1 8 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.858 0.955 25564 3867 1 8 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.573 -1.143 25564 3868 1 8 . 1 1 9 9 ALA H H 9 8.220 8.220 8.166 0.054 25564 3869 1 8 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.742 -0.413 25564 3870 1 8 . 1 1 10 10 PRO C C 10 175.138 175.138 175.598 -0.460 25564 3871 1 8 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.535 0.262 25564 3872 1 8 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.672 -0.835 25564 3873 1 8 . 1 1 11 11 ASP N N 11 116.244 116.244 116.881 -0.637 25564 3874 1 8 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.696 -0.286 25564 3875 1 8 . 1 1 11 11 ASP C C 11 174.009 174.009 174.465 -0.456 25564 3876 1 8 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.589 0.794 25564 3877 1 8 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.008 -3.179 25564 3878 1 8 . 1 1 11 11 ASP H H 11 9.038 9.038 8.281 0.757 25564 3879 1 8 . 1 1 12 12 ALA N N 12 120.012 120.012 122.400 -2.388 25564 3880 1 8 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.608 -0.141 25564 3881 1 8 . 1 1 12 12 ALA C C 12 175.669 175.669 175.451 0.218 25564 3882 1 8 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.161 0.079 25564 3883 1 8 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.523 -0.612 25564 3884 1 8 . 1 1 12 12 ALA H H 12 7.944 7.944 7.871 0.073 25564 3885 1 8 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.903 -0.414 25564 3886 1 8 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.801 -0.476 25564 3887 1 8 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.364 0.465 25564 3888 1 8 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.329 0.157 25564 3889 1 8 . 1 1 14 14 PRO C C 14 175.966 175.966 176.174 -0.208 25564 3890 1 8 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.832 0.163 25564 3891 1 8 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.420 0.209 25564 3892 1 8 . 1 1 15 15 ASP N N 15 117.405 117.405 122.238 -4.833 25564 3893 1 8 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.452 0.106 25564 3894 1 8 . 1 1 15 15 ASP C C 15 173.011 173.011 175.083 -2.072 25564 3895 1 8 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.580 -0.350 25564 3896 1 8 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.342 0.980 25564 3897 1 8 . 1 1 15 15 ASP H H 15 8.470 8.470 8.538 -0.068 25564 3898 1 8 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.503 0.849 25564 3899 1 8 . 1 1 16 16 PRO C C 16 177.534 177.534 176.786 0.748 25564 3900 1 8 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.502 0.102 25564 3901 1 8 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.601 -1.117 25564 3902 1 8 . 1 1 17 17 THR N N 17 117.955 117.955 118.450 -0.495 25564 3903 1 8 . 1 1 17 17 THR HA H 17 4.563 4.563 4.509 0.054 25564 3904 1 8 . 1 1 17 17 THR C C 17 172.578 172.578 174.001 -1.423 25564 3905 1 8 . 1 1 17 17 THR CA C 17 61.093 61.093 61.569 -0.476 25564 3906 1 8 . 1 1 17 17 THR CB C 17 72.478 72.478 70.507 1.972 25564 3907 1 8 . 1 1 17 17 THR H H 17 9.415 9.415 8.515 0.900 25564 3908 1 8 . 1 1 18 18 VAL N N 18 124.494 124.494 128.234 -3.740 25564 3909 1 8 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.183 0.189 25564 3910 1 8 . 1 1 18 18 VAL C C 18 175.392 175.392 176.095 -0.703 25564 3911 1 8 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.894 -0.044 25564 3912 1 8 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.549 0.525 25564 3913 1 8 . 1 1 18 18 VAL H H 18 8.645 8.645 8.760 -0.115 25564 3914 1 8 . 1 1 19 19 ASP N N 19 129.904 129.904 128.460 1.444 25564 3915 1 8 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.596 0.127 25564 3916 1 8 . 1 1 19 19 ASP C C 19 175.427 175.427 175.631 -0.204 25564 3917 1 8 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.470 -0.567 25564 3918 1 8 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.210 2.061 25564 3919 1 8 . 1 1 19 19 ASP H H 19 8.805 8.805 8.685 0.120 25564 3920 1 8 . 1 1 20 20 GLN N N 20 115.835 115.835 119.010 -3.175 25564 3921 1 8 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.612 -0.162 25564 3922 1 8 . 1 1 20 20 GLN C C 20 173.593 173.593 174.053 -0.460 25564 3923 1 8 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.865 1.080 25564 3924 1 8 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.586 -0.597 25564 3925 1 8 . 1 1 20 20 GLN H H 20 7.431 7.431 7.542 -0.111 25564 3926 1 8 . 1 1 21 21 VAL N N 21 122.956 122.956 125.363 -2.407 25564 3927 1 8 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.299 0.420 25564 3928 1 8 . 1 1 21 21 VAL C C 21 173.753 173.753 174.880 -1.127 25564 3929 1 8 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.131 0.188 25564 3930 1 8 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.639 2.364 25564 3931 1 8 . 1 1 21 21 VAL H H 21 8.317 8.317 8.594 -0.277 25564 3932 1 8 . 1 1 22 22 ASP N N 22 129.722 129.722 126.108 3.614 25564 3933 1 8 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.002 -0.248 25564 3934 1 8 . 1 1 22 22 ASP C C 22 176.114 176.114 176.214 -0.100 25564 3935 1 8 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.402 1.237 25564 3936 1 8 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.843 -2.466 25564 3937 1 8 . 1 1 22 22 ASP H H 22 8.778 8.778 8.516 0.262 25564 3938 1 8 . 1 1 23 23 ASP N N 23 115.970 115.970 118.562 -2.592 25564 3939 1 8 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.438 0.196 25564 3940 1 8 . 1 1 23 23 ASP C C 23 175.820 175.820 176.189 -0.369 25564 3941 1 8 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.597 -1.270 25564 3942 1 8 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.027 -0.121 25564 3943 1 8 . 1 1 23 23 ASP H H 23 8.049 8.049 8.781 -0.732 25564 3944 1 8 . 1 1 24 24 THR N N 24 97.756 97.756 106.795 -9.039 25564 3945 1 8 . 1 1 24 24 THR HA H 24 4.566 4.566 4.536 0.030 25564 3946 1 8 . 1 1 24 24 THR C C 24 174.274 174.274 172.698 1.576 25564 3947 1 8 . 1 1 24 24 THR CA C 24 59.595 59.595 59.938 -0.343 25564 3948 1 8 . 1 1 24 24 THR CB C 24 71.670 71.670 68.335 3.335 25564 3949 1 8 . 1 1 24 24 THR H H 24 7.392 7.392 8.001 -0.609 25564 3950 1 8 . 1 1 25 25 SER N N 25 116.249 116.249 114.565 1.684 25564 3951 1 8 . 1 1 25 25 SER HA H 25 5.440 5.440 5.211 0.229 25564 3952 1 8 . 1 1 25 25 SER C C 25 171.891 171.891 172.226 -0.335 25564 3953 1 8 . 1 1 25 25 SER CA C 25 57.670 57.670 57.964 -0.294 25564 3954 1 8 . 1 1 25 25 SER CB C 25 67.439 67.439 65.797 1.642 25564 3955 1 8 . 1 1 25 25 SER H H 25 7.693 7.693 7.307 0.386 25564 3956 1 8 . 1 1 26 26 ILE N N 26 118.594 118.594 122.691 -4.097 25564 3957 1 8 . 1 1 26 26 ILE HA H 26 4.414 4.414 5.023 -0.609 25564 3958 1 8 . 1 1 26 26 ILE C C 26 174.020 174.020 173.890 0.130 25564 3959 1 8 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.436 0.698 25564 3960 1 8 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.033 2.055 25564 3961 1 8 . 1 1 26 26 ILE H H 26 8.141 8.141 8.560 -0.419 25564 3962 1 8 . 1 1 27 27 VAL N N 27 126.778 126.778 125.828 0.950 25564 3963 1 8 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.164 -0.191 25564 3964 1 8 . 1 1 27 27 VAL C C 27 175.692 175.692 174.750 0.942 25564 3965 1 8 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.701 0.748 25564 3966 1 8 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.921 -0.108 25564 3967 1 8 . 1 1 27 27 VAL H H 27 8.642 8.642 8.803 -0.161 25564 3968 1 8 . 1 1 28 28 VAL N N 28 127.624 127.624 123.357 4.267 25564 3969 1 8 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.944 -0.084 25564 3970 1 8 . 1 1 28 28 VAL C C 28 173.467 173.467 174.041 -0.574 25564 3971 1 8 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.459 0.995 25564 3972 1 8 . 1 1 28 28 VAL CB C 28 34.952 34.952 36.082 -1.130 25564 3973 1 8 . 1 1 28 28 VAL H H 28 8.656 8.656 8.929 -0.273 25564 3974 1 8 . 1 1 29 29 ARG N N 29 123.905 123.905 125.047 -1.142 25564 3975 1 8 . 1 1 29 29 ARG HA H 29 4.717 4.717 5.092 -0.375 25564 3976 1 8 . 1 1 29 29 ARG C C 29 174.147 174.147 175.224 -1.077 25564 3977 1 8 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.499 0.367 25564 3978 1 8 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.832 1.359 25564 3979 1 8 . 1 1 29 29 ARG H H 29 9.075 9.075 8.445 0.630 25564 3980 1 8 . 1 1 30 30 TRP N N 30 116.284 116.284 124.454 -8.170 25564 3981 1 8 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.093 -0.247 25564 3982 1 8 . 1 1 30 30 TRP C C 30 174.778 174.778 175.580 -0.802 25564 3983 1 8 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.732 2.803 25564 3984 1 8 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.947 -0.649 25564 3985 1 8 . 1 1 30 30 TRP H H 30 7.512 7.512 7.975 -0.463 25564 3986 1 8 . 1 1 31 31 SER HA H 31 4.747 4.747 4.622 0.125 25564 3987 1 8 . 1 1 31 31 SER C C 31 172.773 172.773 174.393 -1.620 25564 3988 1 8 . 1 1 31 31 SER CA C 31 57.875 57.875 58.309 -0.433 25564 3989 1 8 . 1 1 31 31 SER CB C 31 64.093 64.093 63.255 0.838 25564 3990 1 8 . 1 1 32 32 ARG N N 32 122.062 122.062 125.630 -3.568 25564 3991 1 8 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.599 0.280 25564 3992 1 8 . 1 1 32 32 ARG C C 32 175.788 175.788 175.038 0.750 25564 3993 1 8 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.280 -0.995 25564 3994 1 8 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.318 2.102 25564 3995 1 8 . 1 1 32 32 ARG H H 32 8.337 8.337 8.160 0.177 25564 3996 1 8 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.695 -0.219 25564 3997 1 8 . 1 1 33 33 PRO C C 33 175.739 175.739 176.418 -0.679 25564 3998 1 8 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.264 0.702 25564 3999 1 8 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.646 -0.671 25564 4000 1 8 . 1 1 34 34 GLN N N 34 122.510 122.510 118.731 3.779 25564 4001 1 8 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.347 -0.193 25564 4002 1 8 . 1 1 34 34 GLN C C 34 177.396 177.396 175.870 1.526 25564 4003 1 8 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.194 1.308 25564 4004 1 8 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.010 0.636 25564 4005 1 8 . 1 1 34 34 GLN H H 34 10.310 10.310 8.640 1.670 25564 4006 1 8 . 1 1 35 35 ALA N N 35 123.797 123.797 123.965 -0.168 25564 4007 1 8 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.525 -0.047 25564 4008 1 8 . 1 1 35 35 ALA C C 35 174.959 174.959 175.690 -0.731 25564 4009 1 8 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.104 0.763 25564 4010 1 8 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.747 0.423 25564 4011 1 8 . 1 1 35 35 ALA H H 35 8.725 8.725 7.442 1.283 25564 4012 1 8 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.563 0.020 25564 4013 1 8 . 1 1 36 36 PRO C C 36 175.555 175.555 175.667 -0.112 25564 4014 1 8 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.911 0.090 25564 4015 1 8 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.425 -1.450 25564 4016 1 8 . 1 1 37 37 ILE N N 37 114.656 114.656 118.250 -3.594 25564 4017 1 8 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.640 -0.240 25564 4018 1 8 . 1 1 37 37 ILE C C 37 176.204 176.204 175.515 0.689 25564 4019 1 8 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.020 2.091 25564 4020 1 8 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.419 1.223 25564 4021 1 8 . 1 1 37 37 ILE H H 37 7.946 7.946 7.933 0.013 25564 4022 1 8 . 1 1 38 38 THR N N 38 109.332 109.332 113.067 -3.735 25564 4023 1 8 . 1 1 38 38 THR HA H 38 4.576 4.576 4.602 -0.026 25564 4024 1 8 . 1 1 38 38 THR C C 38 175.325 175.325 175.426 -0.101 25564 4025 1 8 . 1 1 38 38 THR CA C 38 61.858 61.858 62.257 -0.399 25564 4026 1 8 . 1 1 38 38 THR CB C 38 69.971 69.971 69.900 0.071 25564 4027 1 8 . 1 1 38 38 THR H H 38 9.767 9.767 9.035 0.732 25564 4028 1 8 . 1 1 39 39 GLY N N 39 109.326 109.326 109.349 -0.023 25564 4029 1 8 . 1 1 39 39 GLY C C 39 169.390 169.390 171.818 -2.428 25564 4030 1 8 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.804 -0.164 25564 4031 1 8 . 1 1 39 39 GLY H H 39 7.641 7.641 7.951 -0.310 25564 4032 1 8 . 1 1 40 40 TYR N N 40 113.638 113.638 118.193 -4.555 25564 4033 1 8 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.619 -0.267 25564 4034 1 8 . 1 1 40 40 TYR C C 40 174.719 174.719 175.120 -0.401 25564 4035 1 8 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.365 0.624 25564 4036 1 8 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.774 0.545 25564 4037 1 8 . 1 1 40 40 TYR H H 40 8.470 8.470 8.783 -0.313 25564 4038 1 8 . 1 1 41 41 ARG N N 41 125.140 125.140 122.117 3.023 25564 4039 1 8 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.367 -0.085 25564 4040 1 8 . 1 1 41 41 ARG C C 41 173.714 173.714 175.247 -1.533 25564 4041 1 8 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.865 0.904 25564 4042 1 8 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.292 1.409 25564 4043 1 8 . 1 1 41 41 ARG H H 41 9.148 9.148 9.008 0.140 25564 4044 1 8 . 1 1 42 42 ILE N N 42 126.999 126.999 122.070 4.929 25564 4045 1 8 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.083 0.259 25564 4046 1 8 . 1 1 42 42 ILE C C 42 174.706 174.706 174.922 -0.216 25564 4047 1 8 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.764 -1.980 25564 4048 1 8 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.823 -0.429 25564 4049 1 8 . 1 1 42 42 ILE H H 42 9.237 9.237 8.868 0.369 25564 4050 1 8 . 1 1 43 43 VAL N N 43 126.775 126.775 128.530 -1.755 25564 4051 1 8 . 1 1 43 43 VAL HA H 43 5.348 5.348 5.001 0.347 25564 4052 1 8 . 1 1 43 43 VAL C C 43 175.795 175.795 175.642 0.153 25564 4053 1 8 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.717 -0.113 25564 4054 1 8 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.298 1.881 25564 4055 1 8 . 1 1 43 43 VAL H H 43 9.369 9.369 9.024 0.345 25564 4056 1 8 . 1 1 44 44 TYR N N 44 122.788 122.788 126.554 -3.766 25564 4057 1 8 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.940 0.304 25564 4058 1 8 . 1 1 44 44 TYR C C 44 174.353 174.353 174.945 -0.592 25564 4059 1 8 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.191 1.218 25564 4060 1 8 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.435 3.915 25564 4061 1 8 . 1 1 44 44 TYR H H 44 9.253 9.253 8.720 0.533 25564 4062 1 8 . 1 1 45 45 SER N N 45 114.339 114.339 116.564 -2.225 25564 4063 1 8 . 1 1 45 45 SER HA H 45 5.208 5.208 5.019 0.189 25564 4064 1 8 . 1 1 45 45 SER C C 45 171.693 171.693 172.274 -0.581 25564 4065 1 8 . 1 1 45 45 SER CA C 45 55.870 55.870 55.308 0.562 25564 4066 1 8 . 1 1 45 45 SER CB C 45 65.646 65.646 65.156 0.490 25564 4067 1 8 . 1 1 45 45 SER H H 45 8.797 8.797 9.099 -0.302 25564 4068 1 8 . 1 1 46 46 PRO HA H 46 4.386 4.386 5.049 -0.663 25564 4069 1 8 . 1 1 46 46 PRO C C 46 177.666 177.666 177.606 0.060 25564 4070 1 8 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.113 0.579 25564 4071 1 8 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.968 0.049 25564 4072 1 8 . 1 1 47 47 SER N N 47 118.732 118.732 117.832 0.900 25564 4073 1 8 . 1 1 47 47 SER HA H 47 4.069 4.069 4.266 -0.197 25564 4074 1 8 . 1 1 47 47 SER C C 47 175.055 175.055 174.970 0.085 25564 4075 1 8 . 1 1 47 47 SER CA C 47 60.992 60.992 60.779 0.213 25564 4076 1 8 . 1 1 47 47 SER CB C 47 63.541 63.541 63.299 0.242 25564 4077 1 8 . 1 1 47 47 SER H H 47 8.648 8.648 8.290 0.358 25564 4078 1 8 . 1 1 48 48 VAL N N 48 117.213 117.213 118.362 -1.149 25564 4079 1 8 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.077 0.005 25564 4080 1 8 . 1 1 48 48 VAL C C 48 175.456 175.456 174.591 0.865 25564 4081 1 8 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.551 0.436 25564 4082 1 8 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.873 -0.005 25564 4083 1 8 . 1 1 48 48 VAL H H 48 7.640 7.640 7.683 -0.043 25564 4084 1 8 . 1 1 49 49 GLU N N 49 119.528 119.528 117.929 1.599 25564 4085 1 8 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.304 -0.156 25564 4086 1 8 . 1 1 49 49 GLU C C 49 176.081 176.081 174.442 1.639 25564 4087 1 8 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.727 0.447 25564 4088 1 8 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.886 -0.718 25564 4089 1 8 . 1 1 49 49 GLU H H 49 8.150 8.150 7.763 0.387 25564 4090 1 8 . 1 1 50 50 GLY N N 50 108.013 108.013 110.642 -2.629 25564 4091 1 8 . 1 1 50 50 GLY C C 50 173.617 173.617 173.481 0.136 25564 4092 1 8 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.800 0.610 25564 4093 1 8 . 1 1 50 50 GLY H H 50 8.144 8.144 8.349 -0.205 25564 4094 1 8 . 1 1 51 51 SER N N 51 115.893 115.893 120.307 -4.414 25564 4095 1 8 . 1 1 51 51 SER HA H 51 4.604 4.604 4.838 -0.234 25564 4096 1 8 . 1 1 51 51 SER CA C 51 58.145 58.145 58.103 0.042 25564 4097 1 8 . 1 1 51 51 SER CB C 51 64.429 64.429 63.806 0.623 25564 4098 1 8 . 1 1 51 51 SER H H 51 8.248 8.248 8.377 -0.129 25564 4099 1 8 . 1 1 52 52 SER HA H 52 4.795 4.795 5.619 -0.824 25564 4100 1 8 . 1 1 52 52 SER C C 52 173.840 173.840 173.913 -0.073 25564 4101 1 8 . 1 1 52 52 SER CA C 52 58.319 58.319 57.829 0.490 25564 4102 1 8 . 1 1 52 52 SER CB C 52 65.231 65.231 66.038 -0.807 25564 4103 1 8 . 1 1 53 53 THR N N 53 121.052 121.052 118.419 2.633 25564 4104 1 8 . 1 1 53 53 THR HA H 53 4.294 4.294 4.426 -0.132 25564 4105 1 8 . 1 1 53 53 THR C C 53 171.241 171.241 171.813 -0.572 25564 4106 1 8 . 1 1 53 53 THR CA C 53 62.799 62.799 61.068 1.731 25564 4107 1 8 . 1 1 53 53 THR CB C 53 70.995 70.995 71.695 -0.700 25564 4108 1 8 . 1 1 53 53 THR H H 53 8.344 8.344 8.414 -0.070 25564 4109 1 8 . 1 1 54 54 GLU N N 54 125.190 125.190 125.210 -0.020 25564 4110 1 8 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.620 -0.006 25564 4111 1 8 . 1 1 54 54 GLU C C 54 175.175 175.175 175.397 -0.222 25564 4112 1 8 . 1 1 54 54 GLU CA C 54 54.512 54.512 53.965 0.547 25564 4113 1 8 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.829 1.842 25564 4114 1 8 . 1 1 54 54 GLU H H 54 8.458 8.458 8.450 0.008 25564 4115 1 8 . 1 1 55 55 LEU N N 55 125.745 125.745 126.741 -0.996 25564 4116 1 8 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.775 0.080 25564 4117 1 8 . 1 1 55 55 LEU C C 55 175.121 175.121 174.922 0.199 25564 4118 1 8 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.841 0.165 25564 4119 1 8 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.369 0.367 25564 4120 1 8 . 1 1 55 55 LEU H H 55 9.755 9.755 8.654 1.101 25564 4121 1 8 . 1 1 56 56 ASN N N 56 120.517 120.517 119.178 1.339 25564 4122 1 8 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.867 -0.303 25564 4123 1 8 . 1 1 56 56 ASN C C 56 174.180 174.180 174.632 -0.452 25564 4124 1 8 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.573 0.702 25564 4125 1 8 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.330 1.121 25564 4126 1 8 . 1 1 56 56 ASN H H 56 8.727 8.727 8.545 0.182 25564 4127 1 8 . 1 1 57 57 LEU N N 57 123.534 123.534 123.786 -0.252 25564 4128 1 8 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.114 0.021 25564 4129 1 8 . 1 1 57 57 LEU C C 57 174.960 174.960 174.667 0.293 25564 4130 1 8 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.748 0.377 25564 4131 1 8 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.908 -0.100 25564 4132 1 8 . 1 1 57 57 LEU H H 57 9.075 9.075 8.843 0.232 25564 4133 1 8 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.566 0.489 25564 4134 1 8 . 1 1 58 58 PRO C C 58 176.897 176.897 178.356 -1.459 25564 4135 1 8 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.580 0.010 25564 4136 1 8 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.144 1.723 25564 4137 1 8 . 1 1 59 59 GLU N N 59 117.522 117.522 120.417 -2.895 25564 4138 1 8 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.083 -0.102 25564 4139 1 8 . 1 1 59 59 GLU C C 59 175.246 175.246 176.812 -1.566 25564 4140 1 8 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.965 -1.060 25564 4141 1 8 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.915 0.009 25564 4142 1 8 . 1 1 59 59 GLU H H 59 8.905 8.905 8.831 0.074 25564 4143 1 8 . 1 1 60 60 THR N N 60 106.153 106.153 111.786 -5.633 25564 4144 1 8 . 1 1 60 60 THR HA H 60 4.155 4.155 4.386 -0.231 25564 4145 1 8 . 1 1 60 60 THR C C 60 175.087 175.087 173.344 1.743 25564 4146 1 8 . 1 1 60 60 THR CA C 60 61.646 61.646 60.422 1.224 25564 4147 1 8 . 1 1 60 60 THR CB C 60 69.638 69.638 68.070 1.568 25564 4148 1 8 . 1 1 60 60 THR H H 60 7.056 7.056 7.790 -0.734 25564 4149 1 8 . 1 1 61 61 ALA N N 61 125.590 125.590 123.814 1.776 25564 4150 1 8 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.323 0.027 25564 4151 1 8 . 1 1 61 61 ALA C C 61 176.988 176.988 175.947 1.041 25564 4152 1 8 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.910 1.560 25564 4153 1 8 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.767 1.457 25564 4154 1 8 . 1 1 61 61 ALA H H 61 7.808 7.808 8.174 -0.366 25564 4155 1 8 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.662 0.001 25564 4156 1 8 . 1 1 62 62 ASN C C 62 171.666 171.666 172.767 -1.101 25564 4157 1 8 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.252 -0.074 25564 4158 1 8 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.322 -0.646 25564 4159 1 8 . 1 1 63 63 SER N N 63 109.802 109.802 115.075 -5.273 25564 4160 1 8 . 1 1 63 63 SER HA H 63 4.341 4.341 4.679 -0.338 25564 4161 1 8 . 1 1 63 63 SER C C 63 172.378 172.378 172.812 -0.434 25564 4162 1 8 . 1 1 63 63 SER CA C 63 56.541 56.541 57.320 -0.779 25564 4163 1 8 . 1 1 63 63 SER CB C 63 65.498 65.498 66.077 -0.579 25564 4164 1 8 . 1 1 63 63 SER H H 63 6.764 6.764 6.854 -0.090 25564 4165 1 8 . 1 1 64 64 VAL N N 64 117.873 117.873 123.828 -5.955 25564 4166 1 8 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.438 0.002 25564 4167 1 8 . 1 1 64 64 VAL C C 64 171.395 171.395 174.288 -2.893 25564 4168 1 8 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.017 1.727 25564 4169 1 8 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.500 -0.409 25564 4170 1 8 . 1 1 64 64 VAL H H 64 8.793 8.793 8.857 -0.064 25564 4171 1 8 . 1 1 65 65 THR N N 65 123.328 123.328 124.820 -1.492 25564 4172 1 8 . 1 1 65 65 THR HA H 65 4.703 4.703 4.527 0.176 25564 4173 1 8 . 1 1 65 65 THR C C 65 173.608 173.608 174.054 -0.446 25564 4174 1 8 . 1 1 65 65 THR CA C 65 62.094 62.094 62.146 -0.052 25564 4175 1 8 . 1 1 65 65 THR CB C 65 69.754 69.754 68.216 1.538 25564 4176 1 8 . 1 1 65 65 THR H H 65 8.377 8.377 8.461 -0.084 25564 4177 1 8 . 1 1 66 66 LEU N N 66 130.029 130.029 126.599 3.430 25564 4178 1 8 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.244 0.107 25564 4179 1 8 . 1 1 66 66 LEU C C 66 174.738 174.738 176.308 -1.570 25564 4180 1 8 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.428 -0.871 25564 4181 1 8 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.025 -0.819 25564 4182 1 8 . 1 1 66 66 LEU H H 66 9.232 9.232 8.633 0.599 25564 4183 1 8 . 1 1 67 67 SER N N 67 117.107 117.107 115.419 1.688 25564 4184 1 8 . 1 1 67 67 SER HA H 67 4.936 4.936 4.896 0.040 25564 4185 1 8 . 1 1 67 67 SER C C 67 172.509 172.509 173.756 -1.247 25564 4186 1 8 . 1 1 67 67 SER CA C 67 57.340 57.340 56.778 0.562 25564 4187 1 8 . 1 1 67 67 SER CB C 67 66.115 66.115 65.282 0.833 25564 4188 1 8 . 1 1 67 67 SER H H 67 8.174 8.174 8.280 -0.106 25564 4189 1 8 . 1 1 68 68 ASP N N 68 116.924 116.924 119.006 -2.082 25564 4190 1 8 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.343 0.011 25564 4191 1 8 . 1 1 68 68 ASP C C 68 175.654 175.654 175.247 0.407 25564 4192 1 8 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.694 -0.092 25564 4193 1 8 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.662 0.052 25564 4194 1 8 . 1 1 68 68 ASP H H 68 9.003 9.003 8.308 0.695 25564 4195 1 8 . 1 1 69 69 LEU N N 69 116.713 116.713 116.935 -0.222 25564 4196 1 8 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.196 0.140 25564 4197 1 8 . 1 1 69 69 LEU C C 69 175.793 175.793 176.975 -1.182 25564 4198 1 8 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.054 -1.507 25564 4199 1 8 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.807 -1.773 25564 4200 1 8 . 1 1 69 69 LEU H H 69 8.605 8.605 7.267 1.338 25564 4201 1 8 . 1 1 70 70 GLN N N 70 118.301 118.301 117.740 0.561 25564 4202 1 8 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.884 -0.118 25564 4203 1 8 . 1 1 70 70 GLN C C 70 174.178 174.178 173.823 0.355 25564 4204 1 8 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.581 0.367 25564 4205 1 8 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.099 -0.474 25564 4206 1 8 . 1 1 70 70 GLN H H 70 8.288 8.288 8.518 -0.230 25564 4207 1 8 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.251 1.001 25564 4208 1 8 . 1 1 71 71 PRO C C 71 177.837 177.837 177.445 0.392 25564 4209 1 8 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.894 -0.796 25564 4210 1 8 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.265 2.128 25564 4211 1 8 . 1 1 72 72 GLY N N 72 111.077 111.077 112.450 -1.373 25564 4212 1 8 . 1 1 72 72 GLY C C 72 174.621 174.621 173.352 1.269 25564 4213 1 8 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.150 2.076 25564 4214 1 8 . 1 1 72 72 GLY H H 72 7.348 7.348 8.446 -1.098 25564 4215 1 8 . 1 1 73 73 VAL N N 73 120.434 120.434 119.185 1.249 25564 4216 1 8 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.385 -0.273 25564 4217 1 8 . 1 1 73 73 VAL C C 73 173.963 173.963 174.793 -0.830 25564 4218 1 8 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.659 1.035 25564 4219 1 8 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.116 0.307 25564 4220 1 8 . 1 1 73 73 VAL H H 73 7.670 7.670 8.458 -0.788 25564 4221 1 8 . 1 1 74 74 GLN N N 74 123.606 123.606 124.289 -0.683 25564 4222 1 8 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.358 -0.151 25564 4223 1 8 . 1 1 74 74 GLN C C 74 174.283 174.283 174.167 0.116 25564 4224 1 8 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.483 1.022 25564 4225 1 8 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.846 1.629 25564 4226 1 8 . 1 1 74 74 GLN H H 74 8.263 8.263 8.649 -0.386 25564 4227 1 8 . 1 1 75 75 TYR N N 75 127.153 127.153 126.364 0.789 25564 4228 1 8 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.686 0.054 25564 4229 1 8 . 1 1 75 75 TYR C C 75 174.412 174.412 174.183 0.229 25564 4230 1 8 . 1 1 75 75 TYR CA C 75 59.183 59.183 56.906 2.277 25564 4231 1 8 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.034 -0.153 25564 4232 1 8 . 1 1 75 75 TYR H H 75 8.916 8.916 8.919 -0.003 25564 4233 1 8 . 1 1 76 76 ASN N N 76 120.363 120.363 124.039 -3.676 25564 4234 1 8 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.942 0.251 25564 4235 1 8 . 1 1 76 76 ASN C C 76 174.903 174.903 174.439 0.464 25564 4236 1 8 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.547 -0.708 25564 4237 1 8 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.115 1.224 25564 4238 1 8 . 1 1 76 76 ASN H H 76 9.014 9.014 8.944 0.070 25564 4239 1 8 . 1 1 77 77 ILE N N 77 127.376 127.376 127.806 -0.430 25564 4240 1 8 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.354 0.294 25564 4241 1 8 . 1 1 77 77 ILE C C 77 173.510 173.510 175.161 -1.651 25564 4242 1 8 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.310 0.046 25564 4243 1 8 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.067 2.844 25564 4244 1 8 . 1 1 77 77 ILE H H 77 9.466 9.466 8.987 0.479 25564 4245 1 8 . 1 1 78 78 THR N N 78 124.282 124.282 126.417 -2.135 25564 4246 1 8 . 1 1 78 78 THR HA H 78 5.117 5.117 5.437 -0.320 25564 4247 1 8 . 1 1 78 78 THR C C 78 173.140 173.140 173.671 -0.531 25564 4248 1 8 . 1 1 78 78 THR CA C 78 61.961 61.961 60.906 1.055 25564 4249 1 8 . 1 1 78 78 THR CB C 78 70.244 70.244 69.337 0.907 25564 4250 1 8 . 1 1 78 78 THR H H 78 9.535 9.535 8.695 0.840 25564 4251 1 8 . 1 1 79 79 ILE N N 79 125.033 125.033 126.472 -1.439 25564 4252 1 8 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.094 0.497 25564 4253 1 8 . 1 1 79 79 ILE C C 79 173.827 173.827 174.579 -0.752 25564 4254 1 8 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.400 2.349 25564 4255 1 8 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.643 3.627 25564 4256 1 8 . 1 1 79 79 ILE H H 79 8.974 8.974 8.365 0.609 25564 4257 1 8 . 1 1 80 80 TYR N N 80 122.647 122.647 125.639 -2.992 25564 4258 1 8 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.588 -0.069 25564 4259 1 8 . 1 1 80 80 TYR C C 80 177.072 177.072 174.066 3.006 25564 4260 1 8 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.841 0.560 25564 4261 1 8 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.780 1.120 25564 4262 1 8 . 1 1 80 80 TYR H H 80 9.137 9.137 8.918 0.219 25564 4263 1 8 . 1 1 81 81 ALA N N 81 124.412 124.412 127.003 -2.591 25564 4264 1 8 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.703 1.050 25564 4265 1 8 . 1 1 81 81 ALA C C 81 175.811 175.811 175.023 0.788 25564 4266 1 8 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.941 0.717 25564 4267 1 8 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.574 1.742 25564 4268 1 8 . 1 1 81 81 ALA H H 81 8.764 8.764 8.742 0.022 25564 4269 1 8 . 1 1 82 82 VAL N N 82 120.278 120.278 123.599 -3.321 25564 4270 1 8 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.398 0.215 25564 4271 1 8 . 1 1 82 82 VAL C C 82 174.662 174.662 173.958 0.704 25564 4272 1 8 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.337 0.842 25564 4273 1 8 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.785 -1.114 25564 4274 1 8 . 1 1 82 82 VAL H H 82 8.276 8.276 8.685 -0.409 25564 4275 1 8 . 1 1 83 83 GLU N N 83 127.125 127.125 126.974 0.151 25564 4276 1 8 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.834 -0.297 25564 4277 1 8 . 1 1 83 83 GLU C C 83 175.133 175.133 177.848 -2.715 25564 4278 1 8 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.416 1.584 25564 4279 1 8 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.273 0.443 25564 4280 1 8 . 1 1 83 83 GLU H H 83 8.849 8.849 8.679 0.170 25564 4281 1 8 . 1 1 84 84 GLU N N 84 125.009 125.009 121.465 3.544 25564 4282 1 8 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.977 -0.295 25564 4283 1 8 . 1 1 84 84 GLU C C 84 174.988 174.988 176.896 -1.908 25564 4284 1 8 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.533 -0.171 25564 4285 1 8 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.498 -1.776 25564 4286 1 8 . 1 1 84 84 GLU H H 84 8.952 8.952 9.304 -0.352 25564 4287 1 8 . 1 1 85 85 ASN N N 85 119.010 119.010 112.745 6.265 25564 4288 1 8 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.822 -0.116 25564 4289 1 8 . 1 1 85 85 ASN C C 85 174.499 174.499 173.964 0.535 25564 4290 1 8 . 1 1 85 85 ASN CA C 85 53.953 53.953 52.852 1.101 25564 4291 1 8 . 1 1 85 85 ASN CB C 85 39.030 39.030 38.405 0.625 25564 4292 1 8 . 1 1 85 85 ASN H H 85 8.412 8.412 8.316 0.096 25564 4293 1 8 . 1 1 86 86 GLN N N 86 119.080 119.080 118.997 0.083 25564 4294 1 8 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.619 -0.015 25564 4295 1 8 . 1 1 86 86 GLN C C 86 174.270 174.270 173.749 0.521 25564 4296 1 8 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.803 0.489 25564 4297 1 8 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.881 -0.870 25564 4298 1 8 . 1 1 86 86 GLN H H 86 8.086 8.086 7.424 0.662 25564 4299 1 8 . 1 1 87 87 GLU N N 87 120.589 120.589 119.507 1.082 25564 4300 1 8 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.774 0.440 25564 4301 1 8 . 1 1 87 87 GLU C C 87 176.092 176.092 175.511 0.581 25564 4302 1 8 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.446 -0.724 25564 4303 1 8 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.370 1.345 25564 4304 1 8 . 1 1 87 87 GLU H H 87 8.498 8.498 8.619 -0.121 25564 4305 1 8 . 1 1 88 88 SER N N 88 116.013 116.013 120.506 -4.493 25564 4306 1 8 . 1 1 88 88 SER HA H 88 4.547 4.547 4.422 0.125 25564 4307 1 8 . 1 1 88 88 SER C C 88 175.202 175.202 175.303 -0.101 25564 4308 1 8 . 1 1 88 88 SER CA C 88 58.211 58.211 59.571 -1.360 25564 4309 1 8 . 1 1 88 88 SER CB C 88 66.959 66.959 64.051 2.908 25564 4310 1 8 . 1 1 88 88 SER H H 88 8.954 8.954 8.851 0.103 25564 4311 1 8 . 1 1 89 89 THR N N 89 114.798 114.798 113.728 1.070 25564 4312 1 8 . 1 1 89 89 THR HA H 89 4.520 4.520 4.307 0.213 25564 4313 1 8 . 1 1 89 89 THR C C 89 173.754 173.754 173.178 0.576 25564 4314 1 8 . 1 1 89 89 THR CA C 89 61.673 61.673 61.063 0.610 25564 4315 1 8 . 1 1 89 89 THR CB C 89 69.286 69.286 68.762 0.524 25564 4316 1 8 . 1 1 89 89 THR H H 89 8.559 8.559 8.301 0.258 25564 4317 1 8 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.494 -0.339 25564 4318 1 8 . 1 1 90 90 PRO C C 90 177.970 177.970 176.154 1.816 25564 4319 1 8 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.863 0.862 25564 4320 1 8 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.870 -0.467 25564 4321 1 8 . 1 1 91 91 VAL N N 91 120.679 120.679 124.767 -4.088 25564 4322 1 8 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.980 0.297 25564 4323 1 8 . 1 1 91 91 VAL C C 91 173.958 173.958 174.760 -0.802 25564 4324 1 8 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.509 -0.911 25564 4325 1 8 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.620 1.327 25564 4326 1 8 . 1 1 91 91 VAL H H 91 8.189 8.189 8.510 -0.321 25564 4327 1 8 . 1 1 92 92 VAL N N 92 125.593 125.593 127.640 -2.047 25564 4328 1 8 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.641 0.366 25564 4329 1 8 . 1 1 92 92 VAL C C 92 176.045 176.045 175.386 0.659 25564 4330 1 8 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.024 0.337 25564 4331 1 8 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.275 1.859 25564 4332 1 8 . 1 1 92 92 VAL H H 92 8.300 8.300 8.439 -0.139 25564 4333 1 8 . 1 1 93 93 ILE N N 93 127.733 127.733 124.488 3.245 25564 4334 1 8 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.690 -0.274 25564 4335 1 8 . 1 1 93 93 ILE C C 93 174.071 174.071 174.401 -0.330 25564 4336 1 8 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.732 0.106 25564 4337 1 8 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.464 2.768 25564 4338 1 8 . 1 1 93 93 ILE H H 93 9.471 9.471 8.991 0.480 25564 4339 1 8 . 1 1 94 94 GLN N N 94 123.610 123.610 127.049 -3.439 25564 4340 1 8 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.079 0.462 25564 4341 1 8 . 1 1 94 94 GLN C C 94 175.328 175.328 175.246 0.082 25564 4342 1 8 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.597 -0.015 25564 4343 1 8 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.368 1.661 25564 4344 1 8 . 1 1 94 94 GLN H H 94 8.522 8.522 8.641 -0.119 25564 4345 1 8 . 1 1 95 95 GLN N N 95 123.044 123.044 123.431 -0.387 25564 4346 1 8 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.684 -0.174 25564 4347 1 8 . 1 1 95 95 GLN C C 95 173.530 173.530 174.504 -0.974 25564 4348 1 8 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.635 0.287 25564 4349 1 8 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.951 -0.428 25564 4350 1 8 . 1 1 95 95 GLN H H 95 8.893 8.893 9.095 -0.202 25564 4351 1 8 . 1 1 96 96 GLU N N 96 128.881 128.881 125.037 3.844 25564 4352 1 8 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.905 0.838 25564 4353 1 8 . 1 1 96 96 GLU C C 96 178.926 178.926 176.460 2.466 25564 4354 1 8 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.684 -0.865 25564 4355 1 8 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.821 0.704 25564 4356 1 8 . 1 1 96 96 GLU H H 96 8.913 8.913 8.645 0.268 25564 4357 1 8 . 1 1 97 97 THR N N 97 116.022 116.022 118.729 -2.707 25564 4358 1 8 . 1 1 97 97 THR HA H 97 4.344 4.344 4.328 0.016 25564 4359 1 8 . 1 1 97 97 THR C C 97 176.660 176.660 175.484 1.176 25564 4360 1 8 . 1 1 97 97 THR CA C 97 61.453 61.453 62.640 -1.187 25564 4361 1 8 . 1 1 97 97 THR CB C 97 69.742 69.742 69.455 0.287 25564 4362 1 8 . 1 1 97 97 THR H H 97 8.740 8.740 8.811 -0.071 25564 4363 1 8 . 1 1 98 98 THR N N 98 110.068 110.068 119.959 -9.891 25564 4364 1 8 . 1 1 98 98 THR HA H 98 4.270 4.270 4.113 0.157 25564 4365 1 8 . 1 1 98 98 THR C C 98 173.859 173.859 175.443 -1.584 25564 4366 1 8 . 1 1 98 98 THR CA C 98 62.659 62.659 64.270 -1.611 25564 4367 1 8 . 1 1 98 98 THR CB C 98 69.654 69.654 69.049 0.605 25564 4368 1 8 . 1 1 98 98 THR H H 98 7.287 7.287 8.701 -1.414 25564 4369 1 8 . 1 1 99 99 GLY N N 99 103.540 103.540 109.247 -5.707 25564 4370 1 8 . 1 1 99 99 GLY C C 99 174.225 174.225 173.415 0.810 25564 4371 1 8 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.886 0.069 25564 4372 1 8 . 1 1 99 99 GLY H H 99 8.033 8.033 7.530 0.503 25564 4373 1 8 . 1 1 100 100 THR N N 100 114.887 114.887 120.618 -5.731 25564 4374 1 8 . 1 1 100 100 THR HA H 100 4.623 4.623 4.483 0.140 25564 4375 1 8 . 1 1 100 100 THR C C 100 172.336 172.336 173.178 -0.842 25564 4376 1 8 . 1 1 100 100 THR CA C 100 59.775 59.775 61.978 -2.203 25564 4377 1 8 . 1 1 100 100 THR CB C 100 70.644 70.644 68.433 2.211 25564 4378 1 8 . 1 1 100 100 THR H H 100 8.055 8.055 8.248 -0.193 25564 4379 1 8 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.256 0.243 25564 4380 1 8 . 1 1 101 101 PRO C C 101 177.344 177.344 176.600 0.744 25564 4381 1 8 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.984 -0.876 25564 4382 1 8 . 1 1 101 101 PRO CB C 101 32.286 32.286 32.219 0.067 25564 4383 1 8 . 1 1 102 102 ARG N N 102 122.476 122.476 121.441 1.035 25564 4384 1 8 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.109 0.205 25564 4385 1 8 . 1 1 102 102 ARG C C 102 176.790 176.790 175.978 0.812 25564 4386 1 8 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.346 0.058 25564 4387 1 8 . 1 1 102 102 ARG CB C 102 31.265 31.265 28.704 2.561 25564 4388 1 8 . 1 1 102 102 ARG H H 102 8.771 8.771 8.526 0.245 25564 4389 1 8 . 1 1 103 103 SER HA H 103 4.523 4.523 4.303 0.220 25564 4390 1 8 . 1 1 103 103 SER CA C 103 58.311 58.311 59.633 -1.322 25564 4391 1 8 . 1 1 103 103 SER CB C 103 64.168 64.168 63.363 0.805 25564 4392 1 8 . 1 1 104 104 ASP N N 104 122.461 122.461 121.725 0.736 25564 4393 1 8 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.616 0.032 25564 4394 1 8 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.714 -0.148 25564 4395 1 8 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.284 0.099 25564 4396 1 8 . 1 1 104 104 ASP H H 104 8.418 8.418 7.860 0.558 25564 4397 1 8 . 1 1 105 105 GLY N N 105 109.250 109.250 112.280 -3.030 25564 4398 1 8 . 1 1 105 105 GLY C C 105 173.987 173.987 173.551 0.436 25564 4399 1 8 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.783 0.990 25564 4400 1 8 . 1 1 105 105 GLY H H 105 8.390 8.390 8.430 -0.040 25564 4401 1 9 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.618 0.005 25564 4402 1 9 . 1 1 3 3 HIS CA C 3 56.936 56.936 57.434 -0.497 25564 4403 1 9 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.126 1.145 25564 4404 1 9 . 1 1 7 7 THR HA H 7 4.470 4.470 4.583 -0.113 25564 4405 1 9 . 1 1 7 7 THR CA C 7 61.923 61.923 61.494 0.429 25564 4406 1 9 . 1 1 7 7 THR CB C 7 70.142 70.142 68.137 2.005 25564 4407 1 9 . 1 1 8 8 THR N N 8 116.706 116.706 119.904 -3.198 25564 4408 1 9 . 1 1 8 8 THR HA H 8 4.371 4.371 4.206 0.165 25564 4409 1 9 . 1 1 8 8 THR C C 8 173.590 173.590 173.940 -0.350 25564 4410 1 9 . 1 1 8 8 THR CA C 8 61.606 61.606 62.904 -1.298 25564 4411 1 9 . 1 1 8 8 THR CB C 8 70.303 70.303 69.631 0.672 25564 4412 1 9 . 1 1 8 8 THR H H 8 8.238 8.238 7.624 0.614 25564 4413 1 9 . 1 1 9 9 ALA N N 9 127.030 127.030 125.766 1.264 25564 4414 1 9 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.553 -0.260 25564 4415 1 9 . 1 1 9 9 ALA C C 9 175.005 175.005 175.493 -0.488 25564 4416 1 9 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.604 1.209 25564 4417 1 9 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.503 -0.073 25564 4418 1 9 . 1 1 9 9 ALA H H 9 8.220 8.220 8.268 -0.048 25564 4419 1 9 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.505 -0.176 25564 4420 1 9 . 1 1 10 10 PRO C C 10 175.138 175.138 175.717 -0.579 25564 4421 1 9 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.498 0.298 25564 4422 1 9 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.585 -0.748 25564 4423 1 9 . 1 1 11 11 ASP N N 11 116.244 116.244 121.668 -5.424 25564 4424 1 9 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.715 -0.305 25564 4425 1 9 . 1 1 11 11 ASP C C 11 174.009 174.009 175.972 -1.963 25564 4426 1 9 . 1 1 11 11 ASP CA C 11 53.383 53.383 54.335 -0.952 25564 4427 1 9 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.703 -2.874 25564 4428 1 9 . 1 1 11 11 ASP H H 11 9.038 9.038 8.415 0.623 25564 4429 1 9 . 1 1 12 12 ALA N N 12 120.012 120.012 123.179 -3.167 25564 4430 1 9 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.603 -0.136 25564 4431 1 9 . 1 1 12 12 ALA C C 12 175.669 175.669 175.325 0.344 25564 4432 1 9 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.644 0.596 25564 4433 1 9 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.421 -0.511 25564 4434 1 9 . 1 1 12 12 ALA H H 12 7.944 7.944 8.398 -0.454 25564 4435 1 9 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.013 -0.524 25564 4436 1 9 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.719 -0.394 25564 4437 1 9 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.405 0.424 25564 4438 1 9 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.306 0.180 25564 4439 1 9 . 1 1 14 14 PRO C C 14 175.966 175.966 176.679 -0.713 25564 4440 1 9 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.914 0.081 25564 4441 1 9 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.153 0.476 25564 4442 1 9 . 1 1 15 15 ASP N N 15 117.405 117.405 122.704 -5.299 25564 4443 1 9 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.417 0.141 25564 4444 1 9 . 1 1 15 15 ASP C C 15 173.011 173.011 175.194 -2.183 25564 4445 1 9 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.556 -0.326 25564 4446 1 9 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.458 0.864 25564 4447 1 9 . 1 1 15 15 ASP H H 15 8.470 8.470 8.513 -0.043 25564 4448 1 9 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.595 0.757 25564 4449 1 9 . 1 1 16 16 PRO C C 16 177.534 177.534 176.826 0.708 25564 4450 1 9 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.570 0.034 25564 4451 1 9 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.548 -1.064 25564 4452 1 9 . 1 1 17 17 THR N N 17 117.955 117.955 118.673 -0.718 25564 4453 1 9 . 1 1 17 17 THR HA H 17 4.563 4.563 4.500 0.063 25564 4454 1 9 . 1 1 17 17 THR C C 17 172.578 172.578 174.032 -1.454 25564 4455 1 9 . 1 1 17 17 THR CA C 17 61.093 61.093 61.674 -0.581 25564 4456 1 9 . 1 1 17 17 THR CB C 17 72.478 72.478 70.290 2.188 25564 4457 1 9 . 1 1 17 17 THR H H 17 9.415 9.415 8.499 0.916 25564 4458 1 9 . 1 1 18 18 VAL N N 18 124.494 124.494 128.282 -3.788 25564 4459 1 9 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.281 0.091 25564 4460 1 9 . 1 1 18 18 VAL C C 18 175.392 175.392 176.083 -0.691 25564 4461 1 9 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.709 0.141 25564 4462 1 9 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.680 0.394 25564 4463 1 9 . 1 1 18 18 VAL H H 18 8.645 8.645 8.765 -0.120 25564 4464 1 9 . 1 1 19 19 ASP N N 19 129.904 129.904 128.324 1.580 25564 4465 1 9 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.601 0.122 25564 4466 1 9 . 1 1 19 19 ASP C C 19 175.427 175.427 175.651 -0.224 25564 4467 1 9 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.638 -0.735 25564 4468 1 9 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.199 2.072 25564 4469 1 9 . 1 1 19 19 ASP H H 19 8.805 8.805 8.707 0.098 25564 4470 1 9 . 1 1 20 20 GLN N N 20 115.835 115.835 118.561 -2.726 25564 4471 1 9 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.616 -0.166 25564 4472 1 9 . 1 1 20 20 GLN C C 20 173.593 173.593 173.961 -0.368 25564 4473 1 9 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.946 0.999 25564 4474 1 9 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.955 -0.966 25564 4475 1 9 . 1 1 20 20 GLN H H 20 7.431 7.431 7.661 -0.230 25564 4476 1 9 . 1 1 21 21 VAL N N 21 122.956 122.956 122.941 0.015 25564 4477 1 9 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.387 0.332 25564 4478 1 9 . 1 1 21 21 VAL C C 21 173.753 173.753 174.814 -1.061 25564 4479 1 9 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.103 0.216 25564 4480 1 9 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.575 2.428 25564 4481 1 9 . 1 1 21 21 VAL H H 21 8.317 8.317 8.441 -0.124 25564 4482 1 9 . 1 1 22 22 ASP N N 22 129.722 129.722 126.566 3.156 25564 4483 1 9 . 1 1 22 22 ASP HA H 22 4.754 4.754 4.940 -0.186 25564 4484 1 9 . 1 1 22 22 ASP C C 22 176.114 176.114 176.418 -0.304 25564 4485 1 9 . 1 1 22 22 ASP CA C 22 53.639 53.639 51.747 1.892 25564 4486 1 9 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.608 -2.231 25564 4487 1 9 . 1 1 22 22 ASP H H 22 8.778 8.778 8.664 0.114 25564 4488 1 9 . 1 1 23 23 ASP N N 23 115.970 115.970 119.740 -3.770 25564 4489 1 9 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.549 0.085 25564 4490 1 9 . 1 1 23 23 ASP C C 23 175.820 175.820 176.723 -0.903 25564 4491 1 9 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.946 -1.619 25564 4492 1 9 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.534 -0.628 25564 4493 1 9 . 1 1 23 23 ASP H H 23 8.049 8.049 8.742 -0.693 25564 4494 1 9 . 1 1 24 24 THR N N 24 97.756 97.756 108.556 -10.800 25564 4495 1 9 . 1 1 24 24 THR HA H 24 4.566 4.566 4.551 0.015 25564 4496 1 9 . 1 1 24 24 THR C C 24 174.274 174.274 173.070 1.204 25564 4497 1 9 . 1 1 24 24 THR CA C 24 59.595 59.595 61.035 -1.440 25564 4498 1 9 . 1 1 24 24 THR CB C 24 71.670 71.670 68.547 3.123 25564 4499 1 9 . 1 1 24 24 THR H H 24 7.392 7.392 7.897 -0.505 25564 4500 1 9 . 1 1 25 25 SER N N 25 116.249 116.249 115.818 0.431 25564 4501 1 9 . 1 1 25 25 SER HA H 25 5.440 5.440 5.295 0.145 25564 4502 1 9 . 1 1 25 25 SER C C 25 171.891 171.891 172.336 -0.445 25564 4503 1 9 . 1 1 25 25 SER CA C 25 57.670 57.670 58.436 -0.766 25564 4504 1 9 . 1 1 25 25 SER CB C 25 67.439 67.439 66.403 1.036 25564 4505 1 9 . 1 1 25 25 SER H H 25 7.693 7.693 7.500 0.193 25564 4506 1 9 . 1 1 26 26 ILE N N 26 118.594 118.594 124.198 -5.604 25564 4507 1 9 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.940 -0.526 25564 4508 1 9 . 1 1 26 26 ILE C C 26 174.020 174.020 173.691 0.329 25564 4509 1 9 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.497 0.637 25564 4510 1 9 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.812 2.276 25564 4511 1 9 . 1 1 26 26 ILE H H 26 8.141 8.141 8.682 -0.541 25564 4512 1 9 . 1 1 27 27 VAL N N 27 126.778 126.778 126.178 0.600 25564 4513 1 9 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.194 -0.221 25564 4514 1 9 . 1 1 27 27 VAL C C 27 175.692 175.692 174.811 0.881 25564 4515 1 9 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.671 1.778 25564 4516 1 9 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.369 0.444 25564 4517 1 9 . 1 1 27 27 VAL H H 27 8.642 8.642 8.608 0.034 25564 4518 1 9 . 1 1 28 28 VAL N N 28 127.624 127.624 123.555 4.069 25564 4519 1 9 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.019 -0.159 25564 4520 1 9 . 1 1 28 28 VAL C C 28 173.467 173.467 173.801 -0.334 25564 4521 1 9 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.170 1.284 25564 4522 1 9 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.679 -0.727 25564 4523 1 9 . 1 1 28 28 VAL H H 28 8.656 8.656 8.939 -0.283 25564 4524 1 9 . 1 1 29 29 ARG N N 29 123.905 123.905 125.373 -1.468 25564 4525 1 9 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.978 -0.261 25564 4526 1 9 . 1 1 29 29 ARG C C 29 174.147 174.147 175.362 -1.215 25564 4527 1 9 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.559 0.306 25564 4528 1 9 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.924 1.267 25564 4529 1 9 . 1 1 29 29 ARG H H 29 9.075 9.075 8.450 0.625 25564 4530 1 9 . 1 1 30 30 TRP N N 30 116.284 116.284 123.851 -7.567 25564 4531 1 9 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.080 -0.234 25564 4532 1 9 . 1 1 30 30 TRP C C 30 174.778 174.778 174.775 0.003 25564 4533 1 9 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.583 2.952 25564 4534 1 9 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.396 -1.098 25564 4535 1 9 . 1 1 30 30 TRP H H 30 7.512 7.512 7.992 -0.480 25564 4536 1 9 . 1 1 31 31 SER HA H 31 4.747 4.747 4.753 -0.006 25564 4537 1 9 . 1 1 31 31 SER C C 31 172.773 172.773 174.775 -2.002 25564 4538 1 9 . 1 1 31 31 SER CA C 31 57.875 57.875 57.017 0.858 25564 4539 1 9 . 1 1 31 31 SER CB C 31 64.093 64.093 63.548 0.545 25564 4540 1 9 . 1 1 32 32 ARG N N 32 122.062 122.062 127.298 -5.236 25564 4541 1 9 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.908 -0.029 25564 4542 1 9 . 1 1 32 32 ARG C C 32 175.788 175.788 175.160 0.628 25564 4543 1 9 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.693 -0.408 25564 4544 1 9 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.062 2.358 25564 4545 1 9 . 1 1 32 32 ARG H H 32 8.337 8.337 8.395 -0.058 25564 4546 1 9 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.611 -0.135 25564 4547 1 9 . 1 1 33 33 PRO C C 33 175.739 175.739 176.274 -0.535 25564 4548 1 9 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.308 0.658 25564 4549 1 9 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.807 0.168 25564 4550 1 9 . 1 1 34 34 GLN N N 34 122.510 122.510 118.862 3.648 25564 4551 1 9 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.269 -0.115 25564 4552 1 9 . 1 1 34 34 GLN C C 34 177.396 177.396 175.877 1.519 25564 4553 1 9 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.200 1.303 25564 4554 1 9 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.680 0.966 25564 4555 1 9 . 1 1 34 34 GLN H H 34 10.310 10.310 8.549 1.761 25564 4556 1 9 . 1 1 35 35 ALA N N 35 123.797 123.797 124.045 -0.248 25564 4557 1 9 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.398 0.080 25564 4558 1 9 . 1 1 35 35 ALA C C 35 174.959 174.959 175.346 -0.387 25564 4559 1 9 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.878 -0.011 25564 4560 1 9 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.638 0.532 25564 4561 1 9 . 1 1 35 35 ALA H H 35 8.725 8.725 7.826 0.899 25564 4562 1 9 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.437 0.146 25564 4563 1 9 . 1 1 36 36 PRO C C 36 175.555 175.555 175.710 -0.155 25564 4564 1 9 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.298 -0.296 25564 4565 1 9 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.276 -1.301 25564 4566 1 9 . 1 1 37 37 ILE N N 37 114.656 114.656 118.687 -4.031 25564 4567 1 9 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.799 -0.399 25564 4568 1 9 . 1 1 37 37 ILE C C 37 176.204 176.204 175.451 0.753 25564 4569 1 9 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.896 2.215 25564 4570 1 9 . 1 1 37 37 ILE CB C 37 41.642 41.642 41.651 -0.009 25564 4571 1 9 . 1 1 37 37 ILE H H 37 7.946 7.946 7.839 0.107 25564 4572 1 9 . 1 1 38 38 THR N N 38 109.332 109.332 112.577 -3.245 25564 4573 1 9 . 1 1 38 38 THR HA H 38 4.576 4.576 4.901 -0.325 25564 4574 1 9 . 1 1 38 38 THR C C 38 175.325 175.325 175.414 -0.089 25564 4575 1 9 . 1 1 38 38 THR CA C 38 61.858 61.858 61.824 0.034 25564 4576 1 9 . 1 1 38 38 THR CB C 38 69.971 69.971 70.429 -0.458 25564 4577 1 9 . 1 1 38 38 THR H H 38 9.767 9.767 8.958 0.809 25564 4578 1 9 . 1 1 39 39 GLY N N 39 109.326 109.326 109.566 -0.240 25564 4579 1 9 . 1 1 39 39 GLY C C 39 169.390 169.390 171.736 -2.346 25564 4580 1 9 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.962 -0.322 25564 4581 1 9 . 1 1 39 39 GLY H H 39 7.641 7.641 7.966 -0.325 25564 4582 1 9 . 1 1 40 40 TYR N N 40 113.638 113.638 118.216 -4.578 25564 4583 1 9 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.669 -0.317 25564 4584 1 9 . 1 1 40 40 TYR C C 40 174.719 174.719 174.983 -0.264 25564 4585 1 9 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.782 0.207 25564 4586 1 9 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.237 0.082 25564 4587 1 9 . 1 1 40 40 TYR H H 40 8.470 8.470 8.760 -0.290 25564 4588 1 9 . 1 1 41 41 ARG N N 41 125.140 125.140 121.770 3.370 25564 4589 1 9 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.457 -0.175 25564 4590 1 9 . 1 1 41 41 ARG C C 41 173.714 173.714 175.304 -1.590 25564 4591 1 9 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.695 1.074 25564 4592 1 9 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.290 1.411 25564 4593 1 9 . 1 1 41 41 ARG H H 41 9.148 9.148 8.936 0.212 25564 4594 1 9 . 1 1 42 42 ILE N N 42 126.999 126.999 121.816 5.183 25564 4595 1 9 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.108 0.234 25564 4596 1 9 . 1 1 42 42 ILE C C 42 174.706 174.706 174.998 -0.292 25564 4597 1 9 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.715 -1.932 25564 4598 1 9 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.703 -0.309 25564 4599 1 9 . 1 1 42 42 ILE H H 42 9.237 9.237 8.846 0.391 25564 4600 1 9 . 1 1 43 43 VAL N N 43 126.775 126.775 128.825 -2.050 25564 4601 1 9 . 1 1 43 43 VAL HA H 43 5.348 5.348 5.005 0.343 25564 4602 1 9 . 1 1 43 43 VAL C C 43 175.795 175.795 175.729 0.066 25564 4603 1 9 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.607 -0.003 25564 4604 1 9 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.468 2.711 25564 4605 1 9 . 1 1 43 43 VAL H H 43 9.369 9.369 9.064 0.305 25564 4606 1 9 . 1 1 44 44 TYR N N 44 122.788 122.788 125.290 -2.502 25564 4607 1 9 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.935 0.309 25564 4608 1 9 . 1 1 44 44 TYR C C 44 174.353 174.353 174.399 -0.046 25564 4609 1 9 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.304 1.106 25564 4610 1 9 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.140 3.210 25564 4611 1 9 . 1 1 44 44 TYR H H 44 9.253 9.253 8.820 0.433 25564 4612 1 9 . 1 1 45 45 SER N N 45 114.339 114.339 117.592 -3.253 25564 4613 1 9 . 1 1 45 45 SER HA H 45 5.208 5.208 5.096 0.112 25564 4614 1 9 . 1 1 45 45 SER C C 45 171.693 171.693 172.156 -0.463 25564 4615 1 9 . 1 1 45 45 SER CA C 45 55.870 55.870 54.371 1.499 25564 4616 1 9 . 1 1 45 45 SER CB C 45 65.646 65.646 65.516 0.131 25564 4617 1 9 . 1 1 45 45 SER H H 45 8.797 8.797 9.131 -0.334 25564 4618 1 9 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.773 -0.387 25564 4619 1 9 . 1 1 46 46 PRO C C 46 177.666 177.666 176.682 0.984 25564 4620 1 9 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.429 0.263 25564 4621 1 9 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.939 0.078 25564 4622 1 9 . 1 1 47 47 SER N N 47 118.732 118.732 117.551 1.181 25564 4623 1 9 . 1 1 47 47 SER HA H 47 4.069 4.069 4.189 -0.120 25564 4624 1 9 . 1 1 47 47 SER C C 47 175.055 175.055 175.318 -0.263 25564 4625 1 9 . 1 1 47 47 SER CA C 47 60.992 60.992 60.653 0.340 25564 4626 1 9 . 1 1 47 47 SER CB C 47 63.541 63.541 63.359 0.182 25564 4627 1 9 . 1 1 47 47 SER H H 47 8.648 8.648 8.589 0.059 25564 4628 1 9 . 1 1 48 48 VAL N N 48 117.213 117.213 118.564 -1.351 25564 4629 1 9 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.077 0.005 25564 4630 1 9 . 1 1 48 48 VAL C C 48 175.456 175.456 174.453 1.003 25564 4631 1 9 . 1 1 48 48 VAL CA C 48 62.987 62.987 63.110 -0.123 25564 4632 1 9 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.981 -0.112 25564 4633 1 9 . 1 1 48 48 VAL H H 48 7.640 7.640 8.107 -0.467 25564 4634 1 9 . 1 1 49 49 GLU N N 49 119.528 119.528 118.301 1.227 25564 4635 1 9 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.355 -0.207 25564 4636 1 9 . 1 1 49 49 GLU C C 49 176.081 176.081 174.784 1.297 25564 4637 1 9 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.039 1.135 25564 4638 1 9 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.054 -0.886 25564 4639 1 9 . 1 1 49 49 GLU H H 49 8.150 8.150 7.792 0.358 25564 4640 1 9 . 1 1 50 50 GLY N N 50 108.013 108.013 109.063 -1.050 25564 4641 1 9 . 1 1 50 50 GLY C C 50 173.617 173.617 173.562 0.055 25564 4642 1 9 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.609 0.801 25564 4643 1 9 . 1 1 50 50 GLY H H 50 8.144 8.144 8.194 -0.050 25564 4644 1 9 . 1 1 51 51 SER N N 51 115.893 115.893 120.817 -4.924 25564 4645 1 9 . 1 1 51 51 SER HA H 51 4.604 4.604 4.838 -0.234 25564 4646 1 9 . 1 1 51 51 SER CA C 51 58.145 58.145 58.309 -0.164 25564 4647 1 9 . 1 1 51 51 SER CB C 51 64.429 64.429 63.753 0.676 25564 4648 1 9 . 1 1 51 51 SER H H 51 8.248 8.248 8.348 -0.100 25564 4649 1 9 . 1 1 52 52 SER HA H 52 4.795 4.795 5.602 -0.807 25564 4650 1 9 . 1 1 52 52 SER C C 52 173.840 173.840 174.134 -0.294 25564 4651 1 9 . 1 1 52 52 SER CA C 52 58.319 58.319 56.853 1.466 25564 4652 1 9 . 1 1 52 52 SER CB C 52 65.231 65.231 66.149 -0.918 25564 4653 1 9 . 1 1 53 53 THR N N 53 121.052 121.052 118.485 2.567 25564 4654 1 9 . 1 1 53 53 THR HA H 53 4.294 4.294 4.399 -0.105 25564 4655 1 9 . 1 1 53 53 THR C C 53 171.241 171.241 171.873 -0.632 25564 4656 1 9 . 1 1 53 53 THR CA C 53 62.799 62.799 61.655 1.144 25564 4657 1 9 . 1 1 53 53 THR CB C 53 70.995 70.995 72.117 -1.122 25564 4658 1 9 . 1 1 53 53 THR H H 53 8.344 8.344 8.385 -0.041 25564 4659 1 9 . 1 1 54 54 GLU N N 54 125.190 125.190 125.118 0.072 25564 4660 1 9 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.476 0.138 25564 4661 1 9 . 1 1 54 54 GLU C C 54 175.175 175.175 175.547 -0.372 25564 4662 1 9 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.462 0.050 25564 4663 1 9 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.314 2.357 25564 4664 1 9 . 1 1 54 54 GLU H H 54 8.458 8.458 8.468 -0.010 25564 4665 1 9 . 1 1 55 55 LEU N N 55 125.745 125.745 126.411 -0.666 25564 4666 1 9 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.661 0.194 25564 4667 1 9 . 1 1 55 55 LEU C C 55 175.121 175.121 175.331 -0.210 25564 4668 1 9 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.975 0.031 25564 4669 1 9 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.473 1.263 25564 4670 1 9 . 1 1 55 55 LEU H H 55 9.755 9.755 8.720 1.035 25564 4671 1 9 . 1 1 56 56 ASN N N 56 120.517 120.517 120.614 -0.097 25564 4672 1 9 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.642 -0.078 25564 4673 1 9 . 1 1 56 56 ASN C C 56 174.180 174.180 174.123 0.057 25564 4674 1 9 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.232 1.043 25564 4675 1 9 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.178 1.273 25564 4676 1 9 . 1 1 56 56 ASN H H 56 8.727 8.727 8.514 0.213 25564 4677 1 9 . 1 1 57 57 LEU N N 57 123.534 123.534 126.324 -2.790 25564 4678 1 9 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.057 0.078 25564 4679 1 9 . 1 1 57 57 LEU C C 57 174.960 174.960 175.031 -0.071 25564 4680 1 9 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.547 0.578 25564 4681 1 9 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.630 0.178 25564 4682 1 9 . 1 1 57 57 LEU H H 57 9.075 9.075 8.842 0.233 25564 4683 1 9 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.588 0.467 25564 4684 1 9 . 1 1 58 58 PRO C C 58 176.897 176.897 178.471 -1.574 25564 4685 1 9 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.589 0.001 25564 4686 1 9 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.191 1.676 25564 4687 1 9 . 1 1 59 59 GLU N N 59 117.522 117.522 120.166 -2.644 25564 4688 1 9 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.101 -0.120 25564 4689 1 9 . 1 1 59 59 GLU C C 59 175.246 175.246 176.691 -1.445 25564 4690 1 9 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.794 -0.889 25564 4691 1 9 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.962 -0.038 25564 4692 1 9 . 1 1 59 59 GLU H H 59 8.905 8.905 8.749 0.156 25564 4693 1 9 . 1 1 60 60 THR N N 60 106.153 106.153 112.001 -5.848 25564 4694 1 9 . 1 1 60 60 THR HA H 60 4.155 4.155 4.451 -0.296 25564 4695 1 9 . 1 1 60 60 THR C C 60 175.087 175.087 173.427 1.660 25564 4696 1 9 . 1 1 60 60 THR CA C 60 61.646 61.646 60.387 1.259 25564 4697 1 9 . 1 1 60 60 THR CB C 60 69.638 69.638 68.161 1.477 25564 4698 1 9 . 1 1 60 60 THR H H 60 7.056 7.056 7.808 -0.752 25564 4699 1 9 . 1 1 61 61 ALA N N 61 125.590 125.590 124.080 1.510 25564 4700 1 9 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.258 0.092 25564 4701 1 9 . 1 1 61 61 ALA C C 61 176.988 176.988 175.723 1.265 25564 4702 1 9 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.177 1.293 25564 4703 1 9 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.003 1.220 25564 4704 1 9 . 1 1 61 61 ALA H H 61 7.808 7.808 8.430 -0.622 25564 4705 1 9 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.683 -0.020 25564 4706 1 9 . 1 1 62 62 ASN C C 62 171.666 171.666 172.584 -0.918 25564 4707 1 9 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.138 0.040 25564 4708 1 9 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.975 -0.299 25564 4709 1 9 . 1 1 63 63 SER N N 63 109.802 109.802 113.869 -4.067 25564 4710 1 9 . 1 1 63 63 SER HA H 63 4.341 4.341 4.524 -0.183 25564 4711 1 9 . 1 1 63 63 SER C C 63 172.378 172.378 172.578 -0.200 25564 4712 1 9 . 1 1 63 63 SER CA C 63 56.541 56.541 57.184 -0.642 25564 4713 1 9 . 1 1 63 63 SER CB C 63 65.498 65.498 65.529 -0.031 25564 4714 1 9 . 1 1 63 63 SER H H 63 6.764 6.764 6.725 0.039 25564 4715 1 9 . 1 1 64 64 VAL N N 64 117.873 117.873 122.232 -4.359 25564 4716 1 9 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.468 -0.028 25564 4717 1 9 . 1 1 64 64 VAL C C 64 171.395 171.395 174.273 -2.878 25564 4718 1 9 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.473 1.271 25564 4719 1 9 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.395 -0.304 25564 4720 1 9 . 1 1 64 64 VAL H H 64 8.793 8.793 8.783 0.010 25564 4721 1 9 . 1 1 65 65 THR N N 65 123.328 123.328 125.123 -1.795 25564 4722 1 9 . 1 1 65 65 THR HA H 65 4.703 4.703 4.544 0.159 25564 4723 1 9 . 1 1 65 65 THR C C 65 173.608 173.608 173.862 -0.254 25564 4724 1 9 . 1 1 65 65 THR CA C 65 62.094 62.094 62.105 -0.011 25564 4725 1 9 . 1 1 65 65 THR CB C 65 69.754 69.754 68.789 0.965 25564 4726 1 9 . 1 1 65 65 THR H H 65 8.377 8.377 8.462 -0.085 25564 4727 1 9 . 1 1 66 66 LEU N N 66 130.029 130.029 128.986 1.043 25564 4728 1 9 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.248 0.103 25564 4729 1 9 . 1 1 66 66 LEU C C 66 174.738 174.738 176.403 -1.665 25564 4730 1 9 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.753 -1.195 25564 4731 1 9 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.164 -0.958 25564 4732 1 9 . 1 1 66 66 LEU H H 66 9.232 9.232 8.667 0.565 25564 4733 1 9 . 1 1 67 67 SER N N 67 117.107 117.107 114.279 2.828 25564 4734 1 9 . 1 1 67 67 SER HA H 67 4.936 4.936 5.204 -0.268 25564 4735 1 9 . 1 1 67 67 SER C C 67 172.509 172.509 174.391 -1.882 25564 4736 1 9 . 1 1 67 67 SER CA C 67 57.340 57.340 56.289 1.051 25564 4737 1 9 . 1 1 67 67 SER CB C 67 66.115 66.115 66.665 -0.550 25564 4738 1 9 . 1 1 67 67 SER H H 67 8.174 8.174 8.276 -0.102 25564 4739 1 9 . 1 1 68 68 ASP N N 68 116.924 116.924 118.049 -1.125 25564 4740 1 9 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.332 0.022 25564 4741 1 9 . 1 1 68 68 ASP C C 68 175.654 175.654 175.641 0.013 25564 4742 1 9 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.610 -0.008 25564 4743 1 9 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.857 -0.143 25564 4744 1 9 . 1 1 68 68 ASP H H 68 9.003 9.003 8.320 0.683 25564 4745 1 9 . 1 1 69 69 LEU N N 69 116.713 116.713 117.240 -0.527 25564 4746 1 9 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.107 0.229 25564 4747 1 9 . 1 1 69 69 LEU C C 69 175.793 175.793 177.120 -1.327 25564 4748 1 9 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.060 -1.513 25564 4749 1 9 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.695 -1.661 25564 4750 1 9 . 1 1 69 69 LEU H H 69 8.605 8.605 6.947 1.658 25564 4751 1 9 . 1 1 70 70 GLN N N 70 118.301 118.301 119.268 -0.967 25564 4752 1 9 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.818 -0.052 25564 4753 1 9 . 1 1 70 70 GLN C C 70 174.178 174.178 173.806 0.372 25564 4754 1 9 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.287 0.661 25564 4755 1 9 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.162 -0.536 25564 4756 1 9 . 1 1 70 70 GLN H H 70 8.288 8.288 8.466 -0.178 25564 4757 1 9 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.241 1.011 25564 4758 1 9 . 1 1 71 71 PRO C C 71 177.837 177.837 177.243 0.594 25564 4759 1 9 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.742 -0.644 25564 4760 1 9 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.541 1.852 25564 4761 1 9 . 1 1 72 72 GLY N N 72 111.077 111.077 111.695 -0.618 25564 4762 1 9 . 1 1 72 72 GLY C C 72 174.621 174.621 173.277 1.344 25564 4763 1 9 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.113 2.113 25564 4764 1 9 . 1 1 72 72 GLY H H 72 7.348 7.348 8.438 -1.090 25564 4765 1 9 . 1 1 73 73 VAL N N 73 120.434 120.434 118.775 1.659 25564 4766 1 9 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.366 -0.254 25564 4767 1 9 . 1 1 73 73 VAL C C 73 173.963 173.963 174.628 -0.665 25564 4768 1 9 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.589 1.105 25564 4769 1 9 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.959 -0.536 25564 4770 1 9 . 1 1 73 73 VAL H H 73 7.670 7.670 8.503 -0.833 25564 4771 1 9 . 1 1 74 74 GLN N N 74 123.606 123.606 125.293 -1.687 25564 4772 1 9 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.447 -0.240 25564 4773 1 9 . 1 1 74 74 GLN C C 74 174.283 174.283 174.569 -0.286 25564 4774 1 9 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.491 1.014 25564 4775 1 9 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.861 1.614 25564 4776 1 9 . 1 1 74 74 GLN H H 74 8.263 8.263 8.677 -0.414 25564 4777 1 9 . 1 1 75 75 TYR N N 75 127.153 127.153 127.852 -0.699 25564 4778 1 9 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.790 -0.050 25564 4779 1 9 . 1 1 75 75 TYR C C 75 174.412 174.412 174.474 -0.062 25564 4780 1 9 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.131 2.052 25564 4781 1 9 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.675 0.207 25564 4782 1 9 . 1 1 75 75 TYR H H 75 8.916 8.916 9.139 -0.223 25564 4783 1 9 . 1 1 76 76 ASN N N 76 120.363 120.363 123.985 -3.622 25564 4784 1 9 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.921 0.272 25564 4785 1 9 . 1 1 76 76 ASN C C 76 174.903 174.903 174.280 0.623 25564 4786 1 9 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.663 -0.824 25564 4787 1 9 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.593 0.746 25564 4788 1 9 . 1 1 76 76 ASN H H 76 9.014 9.014 8.814 0.200 25564 4789 1 9 . 1 1 77 77 ILE N N 77 127.376 127.376 127.852 -0.476 25564 4790 1 9 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.416 0.232 25564 4791 1 9 . 1 1 77 77 ILE C C 77 173.510 173.510 174.924 -1.414 25564 4792 1 9 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.135 0.221 25564 4793 1 9 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.000 2.911 25564 4794 1 9 . 1 1 77 77 ILE H H 77 9.466 9.466 8.995 0.471 25564 4795 1 9 . 1 1 78 78 THR N N 78 124.282 124.282 126.716 -2.434 25564 4796 1 9 . 1 1 78 78 THR HA H 78 5.117 5.117 5.546 -0.429 25564 4797 1 9 . 1 1 78 78 THR C C 78 173.140 173.140 173.727 -0.587 25564 4798 1 9 . 1 1 78 78 THR CA C 78 61.961 61.961 60.819 1.142 25564 4799 1 9 . 1 1 78 78 THR CB C 78 70.244 70.244 69.865 0.379 25564 4800 1 9 . 1 1 78 78 THR H H 78 9.535 9.535 8.714 0.821 25564 4801 1 9 . 1 1 79 79 ILE N N 79 125.033 125.033 125.743 -0.710 25564 4802 1 9 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.309 0.282 25564 4803 1 9 . 1 1 79 79 ILE C C 79 173.827 173.827 174.764 -0.937 25564 4804 1 9 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.097 2.651 25564 4805 1 9 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.351 2.919 25564 4806 1 9 . 1 1 79 79 ILE H H 79 8.974 8.974 8.406 0.568 25564 4807 1 9 . 1 1 80 80 TYR N N 80 122.647 122.647 123.908 -1.261 25564 4808 1 9 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.581 -0.062 25564 4809 1 9 . 1 1 80 80 TYR C C 80 177.072 177.072 173.972 3.100 25564 4810 1 9 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.980 0.422 25564 4811 1 9 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.179 0.721 25564 4812 1 9 . 1 1 80 80 TYR H H 80 9.137 9.137 8.855 0.282 25564 4813 1 9 . 1 1 81 81 ALA N N 81 124.412 124.412 127.622 -3.210 25564 4814 1 9 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.285 1.468 25564 4815 1 9 . 1 1 81 81 ALA C C 81 175.811 175.811 174.950 0.861 25564 4816 1 9 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.982 0.675 25564 4817 1 9 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.385 1.931 25564 4818 1 9 . 1 1 81 81 ALA H H 81 8.764 8.764 8.788 -0.024 25564 4819 1 9 . 1 1 82 82 VAL N N 82 120.278 120.278 124.368 -4.090 25564 4820 1 9 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.733 -0.120 25564 4821 1 9 . 1 1 82 82 VAL C C 82 174.662 174.662 174.308 0.354 25564 4822 1 9 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.505 1.674 25564 4823 1 9 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.232 -0.561 25564 4824 1 9 . 1 1 82 82 VAL H H 82 8.276 8.276 8.551 -0.275 25564 4825 1 9 . 1 1 83 83 GLU N N 83 127.125 127.125 128.119 -0.994 25564 4826 1 9 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.597 -0.060 25564 4827 1 9 . 1 1 83 83 GLU C C 83 175.133 175.133 175.782 -0.649 25564 4828 1 9 . 1 1 83 83 GLU CA C 83 56.000 56.000 55.206 0.794 25564 4829 1 9 . 1 1 83 83 GLU CB C 83 31.716 31.716 30.811 0.905 25564 4830 1 9 . 1 1 83 83 GLU H H 83 8.849 8.849 8.445 0.404 25564 4831 1 9 . 1 1 84 84 GLU N N 84 125.009 125.009 118.932 6.077 25564 4832 1 9 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.980 -0.298 25564 4833 1 9 . 1 1 84 84 GLU C C 84 174.988 174.988 177.137 -2.149 25564 4834 1 9 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.420 -0.058 25564 4835 1 9 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.827 -2.105 25564 4836 1 9 . 1 1 84 84 GLU H H 84 8.952 8.952 8.809 0.143 25564 4837 1 9 . 1 1 85 85 ASN N N 85 119.010 119.010 112.816 6.194 25564 4838 1 9 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.748 -0.042 25564 4839 1 9 . 1 1 85 85 ASN C C 85 174.499 174.499 174.444 0.055 25564 4840 1 9 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.526 0.427 25564 4841 1 9 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.712 -0.681 25564 4842 1 9 . 1 1 85 85 ASN H H 85 8.412 8.412 8.380 0.032 25564 4843 1 9 . 1 1 86 86 GLN N N 86 119.080 119.080 118.669 0.411 25564 4844 1 9 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.475 0.129 25564 4845 1 9 . 1 1 86 86 GLN C C 86 174.270 174.270 174.813 -0.543 25564 4846 1 9 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.660 0.632 25564 4847 1 9 . 1 1 86 86 GLN CB C 86 32.011 32.011 30.726 1.286 25564 4848 1 9 . 1 1 86 86 GLN H H 86 8.086 8.086 7.917 0.169 25564 4849 1 9 . 1 1 87 87 GLU N N 87 120.589 120.589 119.798 0.791 25564 4850 1 9 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.883 0.331 25564 4851 1 9 . 1 1 87 87 GLU C C 87 176.092 176.092 175.680 0.412 25564 4852 1 9 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.403 -0.681 25564 4853 1 9 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.738 0.977 25564 4854 1 9 . 1 1 87 87 GLU H H 87 8.498 8.498 8.496 0.002 25564 4855 1 9 . 1 1 88 88 SER N N 88 116.013 116.013 121.493 -5.480 25564 4856 1 9 . 1 1 88 88 SER HA H 88 4.547 4.547 4.531 0.016 25564 4857 1 9 . 1 1 88 88 SER C C 88 175.202 175.202 175.413 -0.211 25564 4858 1 9 . 1 1 88 88 SER CA C 88 58.211 58.211 59.149 -0.938 25564 4859 1 9 . 1 1 88 88 SER CB C 88 66.959 66.959 64.115 2.844 25564 4860 1 9 . 1 1 88 88 SER H H 88 8.954 8.954 8.868 0.086 25564 4861 1 9 . 1 1 89 89 THR N N 89 114.798 114.798 114.445 0.353 25564 4862 1 9 . 1 1 89 89 THR HA H 89 4.520 4.520 4.364 0.156 25564 4863 1 9 . 1 1 89 89 THR C C 89 173.754 173.754 173.061 0.693 25564 4864 1 9 . 1 1 89 89 THR CA C 89 61.673 61.673 61.142 0.531 25564 4865 1 9 . 1 1 89 89 THR CB C 89 69.286 69.286 68.249 1.037 25564 4866 1 9 . 1 1 89 89 THR H H 89 8.559 8.559 8.400 0.159 25564 4867 1 9 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.446 -0.291 25564 4868 1 9 . 1 1 90 90 PRO C C 90 177.970 177.970 176.435 1.535 25564 4869 1 9 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.904 0.821 25564 4870 1 9 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.722 -0.319 25564 4871 1 9 . 1 1 91 91 VAL N N 91 120.679 120.679 124.010 -3.331 25564 4872 1 9 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.961 0.316 25564 4873 1 9 . 1 1 91 91 VAL C C 91 173.958 173.958 174.862 -0.904 25564 4874 1 9 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.442 -0.844 25564 4875 1 9 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.578 1.369 25564 4876 1 9 . 1 1 91 91 VAL H H 91 8.189 8.189 8.402 -0.213 25564 4877 1 9 . 1 1 92 92 VAL N N 92 125.593 125.593 127.683 -2.090 25564 4878 1 9 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.686 0.321 25564 4879 1 9 . 1 1 92 92 VAL C C 92 176.045 176.045 175.522 0.523 25564 4880 1 9 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.010 0.351 25564 4881 1 9 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.194 1.940 25564 4882 1 9 . 1 1 92 92 VAL H H 92 8.300 8.300 8.455 -0.155 25564 4883 1 9 . 1 1 93 93 ILE N N 93 127.733 127.733 124.695 3.038 25564 4884 1 9 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.670 -0.254 25564 4885 1 9 . 1 1 93 93 ILE C C 93 174.071 174.071 174.412 -0.341 25564 4886 1 9 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.724 0.114 25564 4887 1 9 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.003 3.229 25564 4888 1 9 . 1 1 93 93 ILE H H 93 9.471 9.471 9.039 0.432 25564 4889 1 9 . 1 1 94 94 GLN N N 94 123.610 123.610 127.110 -3.500 25564 4890 1 9 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.912 0.629 25564 4891 1 9 . 1 1 94 94 GLN C C 94 175.328 175.328 175.233 0.095 25564 4892 1 9 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.654 -0.072 25564 4893 1 9 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.963 2.066 25564 4894 1 9 . 1 1 94 94 GLN H H 94 8.522 8.522 8.674 -0.152 25564 4895 1 9 . 1 1 95 95 GLN N N 95 123.044 123.044 124.427 -1.383 25564 4896 1 9 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.700 -0.190 25564 4897 1 9 . 1 1 95 95 GLN C C 95 173.530 173.530 174.609 -1.079 25564 4898 1 9 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.423 0.499 25564 4899 1 9 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.614 -0.091 25564 4900 1 9 . 1 1 95 95 GLN H H 95 8.893 8.893 9.038 -0.145 25564 4901 1 9 . 1 1 96 96 GLU N N 96 128.881 128.881 125.437 3.444 25564 4902 1 9 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.857 0.886 25564 4903 1 9 . 1 1 96 96 GLU C C 96 178.926 178.926 176.509 2.417 25564 4904 1 9 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.838 -1.019 25564 4905 1 9 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.741 0.784 25564 4906 1 9 . 1 1 96 96 GLU H H 96 8.913 8.913 8.727 0.186 25564 4907 1 9 . 1 1 97 97 THR N N 97 116.022 116.022 118.736 -2.714 25564 4908 1 9 . 1 1 97 97 THR HA H 97 4.344 4.344 4.388 -0.044 25564 4909 1 9 . 1 1 97 97 THR C C 97 176.660 176.660 175.714 0.946 25564 4910 1 9 . 1 1 97 97 THR CA C 97 61.453 61.453 62.763 -1.310 25564 4911 1 9 . 1 1 97 97 THR CB C 97 69.742 69.742 69.078 0.664 25564 4912 1 9 . 1 1 97 97 THR H H 97 8.740 8.740 8.946 -0.206 25564 4913 1 9 . 1 1 98 98 THR N N 98 110.068 110.068 122.372 -12.304 25564 4914 1 9 . 1 1 98 98 THR HA H 98 4.270 4.270 4.108 0.162 25564 4915 1 9 . 1 1 98 98 THR C C 98 173.859 173.859 175.358 -1.499 25564 4916 1 9 . 1 1 98 98 THR CA C 98 62.659 62.659 64.459 -1.800 25564 4917 1 9 . 1 1 98 98 THR CB C 98 69.654 69.654 68.924 0.730 25564 4918 1 9 . 1 1 98 98 THR H H 98 7.287 7.287 8.665 -1.378 25564 4919 1 9 . 1 1 99 99 GLY N N 99 103.540 103.540 109.153 -5.613 25564 4920 1 9 . 1 1 99 99 GLY C C 99 174.225 174.225 174.196 0.029 25564 4921 1 9 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.193 -0.238 25564 4922 1 9 . 1 1 99 99 GLY H H 99 8.033 8.033 7.529 0.504 25564 4923 1 9 . 1 1 100 100 THR N N 100 114.887 114.887 119.479 -4.592 25564 4924 1 9 . 1 1 100 100 THR HA H 100 4.623 4.623 4.571 0.052 25564 4925 1 9 . 1 1 100 100 THR C C 100 172.336 172.336 172.806 -0.470 25564 4926 1 9 . 1 1 100 100 THR CA C 100 59.775 59.775 61.298 -1.523 25564 4927 1 9 . 1 1 100 100 THR CB C 100 70.644 70.644 68.401 2.243 25564 4928 1 9 . 1 1 100 100 THR H H 100 8.055 8.055 8.037 0.018 25564 4929 1 9 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.384 0.115 25564 4930 1 9 . 1 1 101 101 PRO C C 101 177.344 177.344 176.579 0.765 25564 4931 1 9 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.322 -0.214 25564 4932 1 9 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.365 0.921 25564 4933 1 9 . 1 1 102 102 ARG N N 102 122.476 122.476 122.904 -0.428 25564 4934 1 9 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.360 -0.046 25564 4935 1 9 . 1 1 102 102 ARG C C 102 176.790 176.790 176.301 0.489 25564 4936 1 9 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.822 -0.418 25564 4937 1 9 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.775 0.490 25564 4938 1 9 . 1 1 102 102 ARG H H 102 8.771 8.771 8.143 0.628 25564 4939 1 9 . 1 1 103 103 SER HA H 103 4.523 4.523 4.425 0.098 25564 4940 1 9 . 1 1 103 103 SER CA C 103 58.311 58.311 58.434 -0.123 25564 4941 1 9 . 1 1 103 103 SER CB C 103 64.168 64.168 62.991 1.177 25564 4942 1 9 . 1 1 104 104 ASP N N 104 122.461 122.461 127.458 -4.997 25564 4943 1 9 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.628 0.020 25564 4944 1 9 . 1 1 104 104 ASP CA C 104 54.566 54.566 55.216 -0.650 25564 4945 1 9 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.433 -0.050 25564 4946 1 9 . 1 1 104 104 ASP H H 104 8.418 8.418 8.605 -0.187 25564 4947 1 9 . 1 1 105 105 GLY N N 105 109.250 109.250 108.782 0.468 25564 4948 1 9 . 1 1 105 105 GLY C C 105 173.987 173.987 173.664 0.323 25564 4949 1 9 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.683 1.090 25564 4950 1 9 . 1 1 105 105 GLY H H 105 8.390 8.390 8.261 0.129 25564 4951 1 10 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.570 0.053 25564 4952 1 10 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.512 0.424 25564 4953 1 10 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.322 0.949 25564 4954 1 10 . 1 1 7 7 THR HA H 7 4.470 4.470 4.379 0.091 25564 4955 1 10 . 1 1 7 7 THR CA C 7 61.923 61.923 62.079 -0.156 25564 4956 1 10 . 1 1 7 7 THR CB C 7 70.142 70.142 69.454 0.688 25564 4957 1 10 . 1 1 8 8 THR N N 8 116.706 116.706 121.877 -5.171 25564 4958 1 10 . 1 1 8 8 THR HA H 8 4.371 4.371 4.233 0.138 25564 4959 1 10 . 1 1 8 8 THR C C 8 173.590 173.590 173.642 -0.052 25564 4960 1 10 . 1 1 8 8 THR CA C 8 61.606 61.606 63.386 -1.780 25564 4961 1 10 . 1 1 8 8 THR CB C 8 70.303 70.303 69.240 1.063 25564 4962 1 10 . 1 1 8 8 THR H H 8 8.238 8.238 8.466 -0.228 25564 4963 1 10 . 1 1 9 9 ALA N N 9 127.030 127.030 130.814 -3.784 25564 4964 1 10 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.670 -0.377 25564 4965 1 10 . 1 1 9 9 ALA C C 9 175.005 175.005 175.556 -0.551 25564 4966 1 10 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.557 1.256 25564 4967 1 10 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.579 -1.149 25564 4968 1 10 . 1 1 9 9 ALA H H 9 8.220 8.220 8.302 -0.082 25564 4969 1 10 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.549 -0.220 25564 4970 1 10 . 1 1 10 10 PRO C C 10 175.138 175.138 175.286 -0.148 25564 4971 1 10 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.612 0.185 25564 4972 1 10 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.887 -1.050 25564 4973 1 10 . 1 1 11 11 ASP N N 11 116.244 116.244 118.958 -2.714 25564 4974 1 10 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.784 -0.374 25564 4975 1 10 . 1 1 11 11 ASP C C 11 174.009 174.009 174.940 -0.931 25564 4976 1 10 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.072 0.311 25564 4977 1 10 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.015 -4.186 25564 4978 1 10 . 1 1 11 11 ASP H H 11 9.038 9.038 8.195 0.843 25564 4979 1 10 . 1 1 12 12 ALA N N 12 120.012 120.012 124.044 -4.032 25564 4980 1 10 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.597 -0.130 25564 4981 1 10 . 1 1 12 12 ALA C C 12 175.669 175.669 175.394 0.275 25564 4982 1 10 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.137 0.103 25564 4983 1 10 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.758 -0.848 25564 4984 1 10 . 1 1 12 12 ALA H H 12 7.944 7.944 8.180 -0.236 25564 4985 1 10 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.921 -0.432 25564 4986 1 10 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.819 -0.494 25564 4987 1 10 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.420 0.409 25564 4988 1 10 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.320 0.166 25564 4989 1 10 . 1 1 14 14 PRO C C 14 175.966 175.966 176.208 -0.242 25564 4990 1 10 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.853 0.142 25564 4991 1 10 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.434 0.195 25564 4992 1 10 . 1 1 15 15 ASP N N 15 117.405 117.405 121.991 -4.586 25564 4993 1 10 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.436 0.122 25564 4994 1 10 . 1 1 15 15 ASP C C 15 173.011 173.011 174.950 -1.939 25564 4995 1 10 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.689 -0.459 25564 4996 1 10 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.470 0.852 25564 4997 1 10 . 1 1 15 15 ASP H H 15 8.470 8.470 8.525 -0.055 25564 4998 1 10 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.666 0.686 25564 4999 1 10 . 1 1 16 16 PRO C C 16 177.534 177.534 176.458 1.076 25564 5000 1 10 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.114 0.490 25564 5001 1 10 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.872 -1.388 25564 5002 1 10 . 1 1 17 17 THR N N 17 117.955 117.955 118.792 -0.837 25564 5003 1 10 . 1 1 17 17 THR HA H 17 4.563 4.563 4.565 -0.002 25564 5004 1 10 . 1 1 17 17 THR C C 17 172.578 172.578 174.005 -1.427 25564 5005 1 10 . 1 1 17 17 THR CA C 17 61.093 61.093 61.418 -0.325 25564 5006 1 10 . 1 1 17 17 THR CB C 17 72.478 72.478 70.561 1.917 25564 5007 1 10 . 1 1 17 17 THR H H 17 9.415 9.415 8.655 0.760 25564 5008 1 10 . 1 1 18 18 VAL N N 18 124.494 124.494 128.135 -3.641 25564 5009 1 10 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.181 0.191 25564 5010 1 10 . 1 1 18 18 VAL C C 18 175.392 175.392 176.117 -0.725 25564 5011 1 10 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.732 0.118 25564 5012 1 10 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.724 0.350 25564 5013 1 10 . 1 1 18 18 VAL H H 18 8.645 8.645 8.740 -0.095 25564 5014 1 10 . 1 1 19 19 ASP N N 19 129.904 129.904 128.544 1.360 25564 5015 1 10 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.534 0.189 25564 5016 1 10 . 1 1 19 19 ASP C C 19 175.427 175.427 175.624 -0.197 25564 5017 1 10 . 1 1 19 19 ASP CA C 19 54.903 54.903 56.052 -1.149 25564 5018 1 10 . 1 1 19 19 ASP CB C 19 44.271 44.271 41.914 2.357 25564 5019 1 10 . 1 1 19 19 ASP H H 19 8.805 8.805 8.551 0.254 25564 5020 1 10 . 1 1 20 20 GLN N N 20 115.835 115.835 117.935 -2.100 25564 5021 1 10 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.588 -0.138 25564 5022 1 10 . 1 1 20 20 GLN C C 20 173.593 173.593 173.959 -0.366 25564 5023 1 10 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.946 0.999 25564 5024 1 10 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.096 -1.107 25564 5025 1 10 . 1 1 20 20 GLN H H 20 7.431 7.431 7.735 -0.304 25564 5026 1 10 . 1 1 21 21 VAL N N 21 122.956 122.956 122.356 0.600 25564 5027 1 10 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.258 0.461 25564 5028 1 10 . 1 1 21 21 VAL C C 21 173.753 173.753 174.959 -1.206 25564 5029 1 10 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.221 0.098 25564 5030 1 10 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.053 1.950 25564 5031 1 10 . 1 1 21 21 VAL H H 21 8.317 8.317 8.438 -0.121 25564 5032 1 10 . 1 1 22 22 ASP N N 22 129.722 129.722 127.178 2.544 25564 5033 1 10 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.171 -0.417 25564 5034 1 10 . 1 1 22 22 ASP C C 22 176.114 176.114 176.638 -0.524 25564 5035 1 10 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.318 1.321 25564 5036 1 10 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.201 -2.824 25564 5037 1 10 . 1 1 22 22 ASP H H 22 8.778 8.778 8.654 0.124 25564 5038 1 10 . 1 1 23 23 ASP N N 23 115.970 115.970 118.819 -2.849 25564 5039 1 10 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.436 0.198 25564 5040 1 10 . 1 1 23 23 ASP C C 23 175.820 175.820 176.157 -0.337 25564 5041 1 10 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.221 -0.894 25564 5042 1 10 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.057 -0.151 25564 5043 1 10 . 1 1 23 23 ASP H H 23 8.049 8.049 8.797 -0.748 25564 5044 1 10 . 1 1 24 24 THR N N 24 97.756 97.756 107.782 -10.026 25564 5045 1 10 . 1 1 24 24 THR HA H 24 4.566 4.566 4.582 -0.016 25564 5046 1 10 . 1 1 24 24 THR C C 24 174.274 174.274 173.066 1.208 25564 5047 1 10 . 1 1 24 24 THR CA C 24 59.595 59.595 60.583 -0.988 25564 5048 1 10 . 1 1 24 24 THR CB C 24 71.670 71.670 68.673 2.997 25564 5049 1 10 . 1 1 24 24 THR H H 24 7.392 7.392 8.078 -0.686 25564 5050 1 10 . 1 1 25 25 SER N N 25 116.249 116.249 116.308 -0.059 25564 5051 1 10 . 1 1 25 25 SER HA H 25 5.440 5.440 5.384 0.056 25564 5052 1 10 . 1 1 25 25 SER C C 25 171.891 171.891 172.357 -0.466 25564 5053 1 10 . 1 1 25 25 SER CA C 25 57.670 57.670 58.441 -0.771 25564 5054 1 10 . 1 1 25 25 SER CB C 25 67.439 67.439 66.333 1.106 25564 5055 1 10 . 1 1 25 25 SER H H 25 7.693 7.693 7.484 0.209 25564 5056 1 10 . 1 1 26 26 ILE N N 26 118.594 118.594 123.822 -5.228 25564 5057 1 10 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.813 -0.399 25564 5058 1 10 . 1 1 26 26 ILE C C 26 174.020 174.020 173.607 0.413 25564 5059 1 10 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.536 0.598 25564 5060 1 10 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.896 2.192 25564 5061 1 10 . 1 1 26 26 ILE H H 26 8.141 8.141 8.677 -0.536 25564 5062 1 10 . 1 1 27 27 VAL N N 27 126.778 126.778 125.609 1.169 25564 5063 1 10 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.262 -0.289 25564 5064 1 10 . 1 1 27 27 VAL C C 27 175.692 175.692 175.083 0.609 25564 5065 1 10 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.488 1.961 25564 5066 1 10 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.245 0.568 25564 5067 1 10 . 1 1 27 27 VAL H H 27 8.642 8.642 8.560 0.082 25564 5068 1 10 . 1 1 28 28 VAL N N 28 127.624 127.624 123.744 3.880 25564 5069 1 10 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.905 -0.045 25564 5070 1 10 . 1 1 28 28 VAL C C 28 173.467 173.467 173.950 -0.483 25564 5071 1 10 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.541 0.913 25564 5072 1 10 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.984 -1.032 25564 5073 1 10 . 1 1 28 28 VAL H H 28 8.656 8.656 8.919 -0.263 25564 5074 1 10 . 1 1 29 29 ARG N N 29 123.905 123.905 124.783 -0.878 25564 5075 1 10 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.958 -0.241 25564 5076 1 10 . 1 1 29 29 ARG C C 29 174.147 174.147 175.173 -1.026 25564 5077 1 10 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.599 0.267 25564 5078 1 10 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.723 1.468 25564 5079 1 10 . 1 1 29 29 ARG H H 29 9.075 9.075 8.438 0.637 25564 5080 1 10 . 1 1 30 30 TRP N N 30 116.284 116.284 123.646 -7.362 25564 5081 1 10 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.083 -0.237 25564 5082 1 10 . 1 1 30 30 TRP C C 30 174.778 174.778 175.367 -0.589 25564 5083 1 10 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.789 2.745 25564 5084 1 10 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.969 -0.671 25564 5085 1 10 . 1 1 30 30 TRP H H 30 7.512 7.512 7.969 -0.457 25564 5086 1 10 . 1 1 31 31 SER HA H 31 4.747 4.747 4.753 -0.006 25564 5087 1 10 . 1 1 31 31 SER C C 31 172.773 172.773 174.127 -1.354 25564 5088 1 10 . 1 1 31 31 SER CA C 31 57.875 57.875 57.373 0.502 25564 5089 1 10 . 1 1 31 31 SER CB C 31 64.093 64.093 63.030 1.063 25564 5090 1 10 . 1 1 32 32 ARG N N 32 122.062 122.062 126.108 -4.046 25564 5091 1 10 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.760 0.119 25564 5092 1 10 . 1 1 32 32 ARG C C 32 175.788 175.788 175.228 0.560 25564 5093 1 10 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.934 -0.649 25564 5094 1 10 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.348 2.072 25564 5095 1 10 . 1 1 32 32 ARG H H 32 8.337 8.337 8.250 0.087 25564 5096 1 10 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.562 -0.086 25564 5097 1 10 . 1 1 33 33 PRO C C 33 175.739 175.739 176.763 -1.024 25564 5098 1 10 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.711 1.255 25564 5099 1 10 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.915 0.060 25564 5100 1 10 . 1 1 34 34 GLN N N 34 122.510 122.510 120.820 1.690 25564 5101 1 10 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.194 -0.040 25564 5102 1 10 . 1 1 34 34 GLN C C 34 177.396 177.396 175.651 1.745 25564 5103 1 10 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.886 0.617 25564 5104 1 10 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.926 0.720 25564 5105 1 10 . 1 1 34 34 GLN H H 34 10.310 10.310 8.600 1.710 25564 5106 1 10 . 1 1 35 35 ALA N N 35 123.797 123.797 124.095 -0.298 25564 5107 1 10 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.431 0.047 25564 5108 1 10 . 1 1 35 35 ALA C C 35 174.959 174.959 175.631 -0.672 25564 5109 1 10 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.387 0.480 25564 5110 1 10 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.875 0.295 25564 5111 1 10 . 1 1 35 35 ALA H H 35 8.725 8.725 7.806 0.919 25564 5112 1 10 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.524 0.059 25564 5113 1 10 . 1 1 36 36 PRO C C 36 175.555 175.555 175.773 -0.218 25564 5114 1 10 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.030 -0.028 25564 5115 1 10 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.286 -1.311 25564 5116 1 10 . 1 1 37 37 ILE N N 37 114.656 114.656 118.723 -4.067 25564 5117 1 10 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.617 -0.217 25564 5118 1 10 . 1 1 37 37 ILE C C 37 176.204 176.204 175.647 0.557 25564 5119 1 10 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.105 2.006 25564 5120 1 10 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.517 1.125 25564 5121 1 10 . 1 1 37 37 ILE H H 37 7.946 7.946 7.921 0.025 25564 5122 1 10 . 1 1 38 38 THR N N 38 109.332 109.332 113.220 -3.888 25564 5123 1 10 . 1 1 38 38 THR HA H 38 4.576 4.576 4.640 -0.064 25564 5124 1 10 . 1 1 38 38 THR C C 38 175.325 175.325 175.328 -0.003 25564 5125 1 10 . 1 1 38 38 THR CA C 38 61.858 61.858 62.094 -0.236 25564 5126 1 10 . 1 1 38 38 THR CB C 38 69.971 69.971 70.091 -0.120 25564 5127 1 10 . 1 1 38 38 THR H H 38 9.767 9.767 8.958 0.809 25564 5128 1 10 . 1 1 39 39 GLY N N 39 109.326 109.326 109.692 -0.366 25564 5129 1 10 . 1 1 39 39 GLY C C 39 169.390 169.390 171.852 -2.462 25564 5130 1 10 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.899 -0.259 25564 5131 1 10 . 1 1 39 39 GLY H H 39 7.641 7.641 7.946 -0.305 25564 5132 1 10 . 1 1 40 40 TYR N N 40 113.638 113.638 118.371 -4.733 25564 5133 1 10 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.738 -0.386 25564 5134 1 10 . 1 1 40 40 TYR C C 40 174.719 174.719 175.129 -0.410 25564 5135 1 10 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.388 0.601 25564 5136 1 10 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.849 0.470 25564 5137 1 10 . 1 1 40 40 TYR H H 40 8.470 8.470 8.717 -0.247 25564 5138 1 10 . 1 1 41 41 ARG N N 41 125.140 125.140 121.921 3.219 25564 5139 1 10 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.349 -0.067 25564 5140 1 10 . 1 1 41 41 ARG C C 41 173.714 173.714 175.142 -1.428 25564 5141 1 10 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.802 1.967 25564 5142 1 10 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.555 2.146 25564 5143 1 10 . 1 1 41 41 ARG H H 41 9.148 9.148 8.899 0.249 25564 5144 1 10 . 1 1 42 42 ILE N N 42 126.999 126.999 121.616 5.383 25564 5145 1 10 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.093 0.249 25564 5146 1 10 . 1 1 42 42 ILE C C 42 174.706 174.706 175.210 -0.504 25564 5147 1 10 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.931 -2.148 25564 5148 1 10 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.609 -0.215 25564 5149 1 10 . 1 1 42 42 ILE H H 42 9.237 9.237 8.808 0.429 25564 5150 1 10 . 1 1 43 43 VAL N N 43 126.775 126.775 128.774 -1.999 25564 5151 1 10 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.954 0.394 25564 5152 1 10 . 1 1 43 43 VAL C C 43 175.795 175.795 175.585 0.210 25564 5153 1 10 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.905 -0.301 25564 5154 1 10 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.207 1.972 25564 5155 1 10 . 1 1 43 43 VAL H H 43 9.369 9.369 9.114 0.255 25564 5156 1 10 . 1 1 44 44 TYR N N 44 122.788 122.788 126.457 -3.669 25564 5157 1 10 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.972 0.272 25564 5158 1 10 . 1 1 44 44 TYR C C 44 174.353 174.353 174.843 -0.490 25564 5159 1 10 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.150 1.260 25564 5160 1 10 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.613 3.737 25564 5161 1 10 . 1 1 44 44 TYR H H 44 9.253 9.253 8.890 0.363 25564 5162 1 10 . 1 1 45 45 SER N N 45 114.339 114.339 116.598 -2.259 25564 5163 1 10 . 1 1 45 45 SER HA H 45 5.208 5.208 5.042 0.166 25564 5164 1 10 . 1 1 45 45 SER C C 45 171.693 171.693 172.294 -0.601 25564 5165 1 10 . 1 1 45 45 SER CA C 45 55.870 55.870 55.049 0.821 25564 5166 1 10 . 1 1 45 45 SER CB C 45 65.646 65.646 65.184 0.462 25564 5167 1 10 . 1 1 45 45 SER H H 45 8.797 8.797 9.080 -0.283 25564 5168 1 10 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.956 -0.570 25564 5169 1 10 . 1 1 46 46 PRO C C 46 177.666 177.666 176.947 0.719 25564 5170 1 10 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.240 0.452 25564 5171 1 10 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.033 -0.016 25564 5172 1 10 . 1 1 47 47 SER N N 47 118.732 118.732 117.553 1.179 25564 5173 1 10 . 1 1 47 47 SER HA H 47 4.069 4.069 4.215 -0.146 25564 5174 1 10 . 1 1 47 47 SER C C 47 175.055 175.055 175.487 -0.432 25564 5175 1 10 . 1 1 47 47 SER CA C 47 60.992 60.992 60.417 0.575 25564 5176 1 10 . 1 1 47 47 SER CB C 47 63.541 63.541 63.508 0.033 25564 5177 1 10 . 1 1 47 47 SER H H 47 8.648 8.648 8.385 0.263 25564 5178 1 10 . 1 1 48 48 VAL N N 48 117.213 117.213 115.739 1.474 25564 5179 1 10 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.247 -0.165 25564 5180 1 10 . 1 1 48 48 VAL C C 48 175.456 175.456 174.689 0.767 25564 5181 1 10 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.679 0.308 25564 5182 1 10 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.650 0.219 25564 5183 1 10 . 1 1 48 48 VAL H H 48 7.640 7.640 8.003 -0.363 25564 5184 1 10 . 1 1 49 49 GLU N N 49 119.528 119.528 119.187 0.341 25564 5185 1 10 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.308 -0.160 25564 5186 1 10 . 1 1 49 49 GLU C C 49 176.081 176.081 174.431 1.650 25564 5187 1 10 . 1 1 49 49 GLU CA C 49 57.174 57.174 55.816 1.359 25564 5188 1 10 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.827 -1.659 25564 5189 1 10 . 1 1 49 49 GLU H H 49 8.150 8.150 7.708 0.442 25564 5190 1 10 . 1 1 50 50 GLY N N 50 108.013 108.013 108.123 -0.110 25564 5191 1 10 . 1 1 50 50 GLY C C 50 173.617 173.617 173.116 0.501 25564 5192 1 10 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.822 0.588 25564 5193 1 10 . 1 1 50 50 GLY H H 50 8.144 8.144 8.224 -0.080 25564 5194 1 10 . 1 1 51 51 SER N N 51 115.893 115.893 117.711 -1.818 25564 5195 1 10 . 1 1 51 51 SER HA H 51 4.604 4.604 4.714 -0.110 25564 5196 1 10 . 1 1 51 51 SER CA C 51 58.145 58.145 57.679 0.466 25564 5197 1 10 . 1 1 51 51 SER CB C 51 64.429 64.429 63.590 0.839 25564 5198 1 10 . 1 1 51 51 SER H H 51 8.248 8.248 8.562 -0.314 25564 5199 1 10 . 1 1 52 52 SER HA H 52 4.795 4.795 5.499 -0.704 25564 5200 1 10 . 1 1 52 52 SER C C 52 173.840 173.840 173.817 0.023 25564 5201 1 10 . 1 1 52 52 SER CA C 52 58.319 58.319 57.914 0.405 25564 5202 1 10 . 1 1 52 52 SER CB C 52 65.231 65.231 65.340 -0.109 25564 5203 1 10 . 1 1 53 53 THR N N 53 121.052 121.052 119.032 2.020 25564 5204 1 10 . 1 1 53 53 THR HA H 53 4.294 4.294 4.428 -0.134 25564 5205 1 10 . 1 1 53 53 THR C C 53 171.241 171.241 171.682 -0.441 25564 5206 1 10 . 1 1 53 53 THR CA C 53 62.799 62.799 61.293 1.506 25564 5207 1 10 . 1 1 53 53 THR CB C 53 70.995 70.995 72.080 -1.085 25564 5208 1 10 . 1 1 53 53 THR H H 53 8.344 8.344 8.440 -0.096 25564 5209 1 10 . 1 1 54 54 GLU N N 54 125.190 125.190 125.966 -0.776 25564 5210 1 10 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.601 0.013 25564 5211 1 10 . 1 1 54 54 GLU C C 54 175.175 175.175 175.402 -0.227 25564 5212 1 10 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.152 0.360 25564 5213 1 10 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.437 2.234 25564 5214 1 10 . 1 1 54 54 GLU H H 54 8.458 8.458 8.515 -0.057 25564 5215 1 10 . 1 1 55 55 LEU N N 55 125.745 125.745 126.432 -0.687 25564 5216 1 10 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.736 0.119 25564 5217 1 10 . 1 1 55 55 LEU C C 55 175.121 175.121 174.816 0.305 25564 5218 1 10 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.936 0.070 25564 5219 1 10 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.991 0.745 25564 5220 1 10 . 1 1 55 55 LEU H H 55 9.755 9.755 8.720 1.035 25564 5221 1 10 . 1 1 56 56 ASN N N 56 120.517 120.517 120.306 0.211 25564 5222 1 10 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.756 -0.192 25564 5223 1 10 . 1 1 56 56 ASN C C 56 174.180 174.180 174.090 0.090 25564 5224 1 10 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.342 0.933 25564 5225 1 10 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.922 1.529 25564 5226 1 10 . 1 1 56 56 ASN H H 56 8.727 8.727 8.509 0.218 25564 5227 1 10 . 1 1 57 57 LEU N N 57 123.534 123.534 126.185 -2.651 25564 5228 1 10 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.048 0.087 25564 5229 1 10 . 1 1 57 57 LEU C C 57 174.960 174.960 175.068 -0.108 25564 5230 1 10 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.581 0.544 25564 5231 1 10 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.058 0.750 25564 5232 1 10 . 1 1 57 57 LEU H H 57 9.075 9.075 8.657 0.418 25564 5233 1 10 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.557 0.498 25564 5234 1 10 . 1 1 58 58 PRO C C 58 176.897 176.897 178.428 -1.531 25564 5235 1 10 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.606 -0.016 25564 5236 1 10 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.126 1.741 25564 5237 1 10 . 1 1 59 59 GLU N N 59 117.522 117.522 120.978 -3.456 25564 5238 1 10 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.115 -0.134 25564 5239 1 10 . 1 1 59 59 GLU C C 59 175.246 175.246 176.821 -1.575 25564 5240 1 10 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.947 -1.042 25564 5241 1 10 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.993 -0.069 25564 5242 1 10 . 1 1 59 59 GLU H H 59 8.905 8.905 8.912 -0.007 25564 5243 1 10 . 1 1 60 60 THR N N 60 106.153 106.153 112.041 -5.888 25564 5244 1 10 . 1 1 60 60 THR HA H 60 4.155 4.155 4.454 -0.299 25564 5245 1 10 . 1 1 60 60 THR C C 60 175.087 175.087 173.293 1.794 25564 5246 1 10 . 1 1 60 60 THR CA C 60 61.646 61.646 59.940 1.706 25564 5247 1 10 . 1 1 60 60 THR CB C 60 69.638 69.638 68.233 1.405 25564 5248 1 10 . 1 1 60 60 THR H H 60 7.056 7.056 7.795 -0.739 25564 5249 1 10 . 1 1 61 61 ALA N N 61 125.590 125.590 123.989 1.601 25564 5250 1 10 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.173 0.177 25564 5251 1 10 . 1 1 61 61 ALA C C 61 176.988 176.988 175.719 1.269 25564 5252 1 10 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.473 0.997 25564 5253 1 10 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.826 1.397 25564 5254 1 10 . 1 1 61 61 ALA H H 61 7.808 7.808 8.379 -0.571 25564 5255 1 10 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.545 0.118 25564 5256 1 10 . 1 1 62 62 ASN C C 62 171.666 171.666 172.571 -0.905 25564 5257 1 10 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.097 0.081 25564 5258 1 10 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.689 -0.013 25564 5259 1 10 . 1 1 63 63 SER N N 63 109.802 109.802 113.647 -3.845 25564 5260 1 10 . 1 1 63 63 SER HA H 63 4.341 4.341 4.486 -0.145 25564 5261 1 10 . 1 1 63 63 SER C C 63 172.378 172.378 172.430 -0.052 25564 5262 1 10 . 1 1 63 63 SER CA C 63 56.541 56.541 57.194 -0.653 25564 5263 1 10 . 1 1 63 63 SER CB C 63 65.498 65.498 64.976 0.522 25564 5264 1 10 . 1 1 63 63 SER H H 63 6.764 6.764 6.691 0.073 25564 5265 1 10 . 1 1 64 64 VAL N N 64 117.873 117.873 121.786 -3.913 25564 5266 1 10 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.533 -0.093 25564 5267 1 10 . 1 1 64 64 VAL C C 64 171.395 171.395 174.322 -2.927 25564 5268 1 10 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.442 1.302 25564 5269 1 10 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.743 0.348 25564 5270 1 10 . 1 1 64 64 VAL H H 64 8.793 8.793 8.792 0.001 25564 5271 1 10 . 1 1 65 65 THR N N 65 123.328 123.328 124.543 -1.215 25564 5272 1 10 . 1 1 65 65 THR HA H 65 4.703 4.703 4.514 0.189 25564 5273 1 10 . 1 1 65 65 THR C C 65 173.608 173.608 174.037 -0.429 25564 5274 1 10 . 1 1 65 65 THR CA C 65 62.094 62.094 62.006 0.088 25564 5275 1 10 . 1 1 65 65 THR CB C 65 69.754 69.754 68.749 1.005 25564 5276 1 10 . 1 1 65 65 THR H H 65 8.377 8.377 8.497 -0.120 25564 5277 1 10 . 1 1 66 66 LEU N N 66 130.029 130.029 129.094 0.935 25564 5278 1 10 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.243 0.108 25564 5279 1 10 . 1 1 66 66 LEU C C 66 174.738 174.738 176.440 -1.702 25564 5280 1 10 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.577 -1.019 25564 5281 1 10 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.041 -0.835 25564 5282 1 10 . 1 1 66 66 LEU H H 66 9.232 9.232 8.565 0.667 25564 5283 1 10 . 1 1 67 67 SER N N 67 117.107 117.107 114.659 2.448 25564 5284 1 10 . 1 1 67 67 SER HA H 67 4.936 4.936 5.090 -0.154 25564 5285 1 10 . 1 1 67 67 SER C C 67 172.509 172.509 173.950 -1.441 25564 5286 1 10 . 1 1 67 67 SER CA C 67 57.340 57.340 56.816 0.524 25564 5287 1 10 . 1 1 67 67 SER CB C 67 66.115 66.115 66.680 -0.564 25564 5288 1 10 . 1 1 67 67 SER H H 67 8.174 8.174 8.232 -0.058 25564 5289 1 10 . 1 1 68 68 ASP N N 68 116.924 116.924 119.042 -2.118 25564 5290 1 10 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.246 0.108 25564 5291 1 10 . 1 1 68 68 ASP C C 68 175.654 175.654 175.266 0.388 25564 5292 1 10 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.211 0.391 25564 5293 1 10 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.349 -0.635 25564 5294 1 10 . 1 1 68 68 ASP H H 68 9.003 9.003 8.305 0.698 25564 5295 1 10 . 1 1 69 69 LEU N N 69 116.713 116.713 114.781 1.932 25564 5296 1 10 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.120 0.216 25564 5297 1 10 . 1 1 69 69 LEU C C 69 175.793 175.793 176.552 -0.759 25564 5298 1 10 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.109 -1.562 25564 5299 1 10 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.507 -1.473 25564 5300 1 10 . 1 1 69 69 LEU H H 69 8.605 8.605 6.889 1.716 25564 5301 1 10 . 1 1 70 70 GLN N N 70 118.301 118.301 118.664 -0.363 25564 5302 1 10 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.812 -0.046 25564 5303 1 10 . 1 1 70 70 GLN C C 70 174.178 174.178 173.663 0.515 25564 5304 1 10 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.105 0.843 25564 5305 1 10 . 1 1 70 70 GLN CB C 70 30.626 30.626 32.058 -1.432 25564 5306 1 10 . 1 1 70 70 GLN H H 70 8.288 8.288 8.576 -0.288 25564 5307 1 10 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.152 1.100 25564 5308 1 10 . 1 1 71 71 PRO C C 71 177.837 177.837 177.657 0.180 25564 5309 1 10 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.430 -0.332 25564 5310 1 10 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.787 1.606 25564 5311 1 10 . 1 1 72 72 GLY N N 72 111.077 111.077 111.030 0.047 25564 5312 1 10 . 1 1 72 72 GLY C C 72 174.621 174.621 173.465 1.156 25564 5313 1 10 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.359 1.867 25564 5314 1 10 . 1 1 72 72 GLY H H 72 7.348 7.348 8.464 -1.116 25564 5315 1 10 . 1 1 73 73 VAL N N 73 120.434 120.434 119.660 0.774 25564 5316 1 10 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.292 -0.180 25564 5317 1 10 . 1 1 73 73 VAL C C 73 173.963 173.963 174.639 -0.676 25564 5318 1 10 . 1 1 73 73 VAL CA C 73 61.694 61.694 61.224 0.470 25564 5319 1 10 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.790 -0.367 25564 5320 1 10 . 1 1 73 73 VAL H H 73 7.670 7.670 8.140 -0.470 25564 5321 1 10 . 1 1 74 74 GLN N N 74 123.606 123.606 126.310 -2.704 25564 5322 1 10 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.448 -0.241 25564 5323 1 10 . 1 1 74 74 GLN C C 74 174.283 174.283 174.677 -0.394 25564 5324 1 10 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.417 1.088 25564 5325 1 10 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.107 1.368 25564 5326 1 10 . 1 1 74 74 GLN H H 74 8.263 8.263 8.694 -0.431 25564 5327 1 10 . 1 1 75 75 TYR N N 75 127.153 127.153 127.005 0.148 25564 5328 1 10 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.657 0.083 25564 5329 1 10 . 1 1 75 75 TYR C C 75 174.412 174.412 174.401 0.011 25564 5330 1 10 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.157 2.026 25564 5331 1 10 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.548 0.333 25564 5332 1 10 . 1 1 75 75 TYR H H 75 8.916 8.916 8.931 -0.015 25564 5333 1 10 . 1 1 76 76 ASN N N 76 120.363 120.363 123.970 -3.607 25564 5334 1 10 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.928 0.265 25564 5335 1 10 . 1 1 76 76 ASN C C 76 174.903 174.903 174.449 0.454 25564 5336 1 10 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.582 -0.743 25564 5337 1 10 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.062 1.277 25564 5338 1 10 . 1 1 76 76 ASN H H 76 9.014 9.014 8.924 0.090 25564 5339 1 10 . 1 1 77 77 ILE N N 77 127.376 127.376 127.368 0.008 25564 5340 1 10 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.412 0.236 25564 5341 1 10 . 1 1 77 77 ILE C C 77 173.510 173.510 175.175 -1.665 25564 5342 1 10 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.231 0.125 25564 5343 1 10 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.147 2.764 25564 5344 1 10 . 1 1 77 77 ILE H H 77 9.466 9.466 8.917 0.549 25564 5345 1 10 . 1 1 78 78 THR N N 78 124.282 124.282 126.671 -2.389 25564 5346 1 10 . 1 1 78 78 THR HA H 78 5.117 5.117 5.500 -0.383 25564 5347 1 10 . 1 1 78 78 THR C C 78 173.140 173.140 173.733 -0.593 25564 5348 1 10 . 1 1 78 78 THR CA C 78 61.961 61.961 60.791 1.170 25564 5349 1 10 . 1 1 78 78 THR CB C 78 70.244 70.244 69.836 0.408 25564 5350 1 10 . 1 1 78 78 THR H H 78 9.535 9.535 8.726 0.809 25564 5351 1 10 . 1 1 79 79 ILE N N 79 125.033 125.033 125.660 -0.627 25564 5352 1 10 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.180 0.411 25564 5353 1 10 . 1 1 79 79 ILE C C 79 173.827 173.827 174.759 -0.932 25564 5354 1 10 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.184 2.564 25564 5355 1 10 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.341 2.929 25564 5356 1 10 . 1 1 79 79 ILE H H 79 8.974 8.974 8.353 0.621 25564 5357 1 10 . 1 1 80 80 TYR N N 80 122.647 122.647 124.104 -1.457 25564 5358 1 10 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.573 -0.054 25564 5359 1 10 . 1 1 80 80 TYR C C 80 177.072 177.072 174.079 2.993 25564 5360 1 10 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.952 0.449 25564 5361 1 10 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.207 0.693 25564 5362 1 10 . 1 1 80 80 TYR H H 80 9.137 9.137 8.810 0.327 25564 5363 1 10 . 1 1 81 81 ALA N N 81 124.412 124.412 127.377 -2.965 25564 5364 1 10 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.530 1.223 25564 5365 1 10 . 1 1 81 81 ALA C C 81 175.811 175.811 175.025 0.786 25564 5366 1 10 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.089 0.568 25564 5367 1 10 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.346 1.970 25564 5368 1 10 . 1 1 81 81 ALA H H 81 8.764 8.764 8.795 -0.031 25564 5369 1 10 . 1 1 82 82 VAL N N 82 120.278 120.278 123.748 -3.470 25564 5370 1 10 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.476 0.137 25564 5371 1 10 . 1 1 82 82 VAL C C 82 174.662 174.662 174.136 0.526 25564 5372 1 10 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.655 1.524 25564 5373 1 10 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.185 -0.514 25564 5374 1 10 . 1 1 82 82 VAL H H 82 8.276 8.276 8.452 -0.176 25564 5375 1 10 . 1 1 83 83 GLU N N 83 127.125 127.125 127.595 -0.470 25564 5376 1 10 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.715 -0.178 25564 5377 1 10 . 1 1 83 83 GLU C C 83 175.133 175.133 175.530 -0.397 25564 5378 1 10 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.660 1.340 25564 5379 1 10 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.168 0.548 25564 5380 1 10 . 1 1 83 83 GLU H H 83 8.849 8.849 8.632 0.217 25564 5381 1 10 . 1 1 84 84 GLU N N 84 125.009 125.009 120.335 4.674 25564 5382 1 10 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.945 -0.263 25564 5383 1 10 . 1 1 84 84 GLU C C 84 174.988 174.988 177.042 -2.054 25564 5384 1 10 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.682 -0.320 25564 5385 1 10 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.635 -1.913 25564 5386 1 10 . 1 1 84 84 GLU H H 84 8.952 8.952 8.784 0.168 25564 5387 1 10 . 1 1 85 85 ASN N N 85 119.010 119.010 114.555 4.455 25564 5388 1 10 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.643 0.063 25564 5389 1 10 . 1 1 85 85 ASN C C 85 174.499 174.499 174.169 0.330 25564 5390 1 10 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.657 0.296 25564 5391 1 10 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.008 0.022 25564 5392 1 10 . 1 1 85 85 ASN H H 85 8.412 8.412 8.321 0.091 25564 5393 1 10 . 1 1 86 86 GLN N N 86 119.080 119.080 118.378 0.702 25564 5394 1 10 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.525 0.079 25564 5395 1 10 . 1 1 86 86 GLN C C 86 174.270 174.270 173.631 0.639 25564 5396 1 10 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.181 1.111 25564 5397 1 10 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.718 -0.707 25564 5398 1 10 . 1 1 86 86 GLN H H 86 8.086 8.086 7.549 0.537 25564 5399 1 10 . 1 1 87 87 GLU N N 87 120.589 120.589 120.083 0.506 25564 5400 1 10 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.796 0.418 25564 5401 1 10 . 1 1 87 87 GLU C C 87 176.092 176.092 175.439 0.653 25564 5402 1 10 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.364 -0.642 25564 5403 1 10 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.370 1.345 25564 5404 1 10 . 1 1 87 87 GLU H H 87 8.498 8.498 8.548 -0.050 25564 5405 1 10 . 1 1 88 88 SER N N 88 116.013 116.013 120.856 -4.843 25564 5406 1 10 . 1 1 88 88 SER HA H 88 4.547 4.547 4.456 0.091 25564 5407 1 10 . 1 1 88 88 SER C C 88 175.202 175.202 175.137 0.065 25564 5408 1 10 . 1 1 88 88 SER CA C 88 58.211 58.211 59.279 -1.068 25564 5409 1 10 . 1 1 88 88 SER CB C 88 66.959 66.959 64.131 2.828 25564 5410 1 10 . 1 1 88 88 SER H H 88 8.954 8.954 9.044 -0.090 25564 5411 1 10 . 1 1 89 89 THR N N 89 114.798 114.798 114.277 0.521 25564 5412 1 10 . 1 1 89 89 THR HA H 89 4.520 4.520 4.351 0.169 25564 5413 1 10 . 1 1 89 89 THR C C 89 173.754 173.754 173.337 0.417 25564 5414 1 10 . 1 1 89 89 THR CA C 89 61.673 61.673 61.664 0.009 25564 5415 1 10 . 1 1 89 89 THR CB C 89 69.286 69.286 68.094 1.192 25564 5416 1 10 . 1 1 89 89 THR H H 89 8.559 8.559 8.399 0.160 25564 5417 1 10 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.764 -0.609 25564 5418 1 10 . 1 1 90 90 PRO C C 90 177.970 177.970 176.518 1.452 25564 5419 1 10 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.201 1.524 25564 5420 1 10 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.907 -0.504 25564 5421 1 10 . 1 1 91 91 VAL N N 91 120.679 120.679 123.312 -2.633 25564 5422 1 10 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.019 0.258 25564 5423 1 10 . 1 1 91 91 VAL C C 91 173.958 173.958 174.815 -0.857 25564 5424 1 10 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.756 -0.158 25564 5425 1 10 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.315 1.632 25564 5426 1 10 . 1 1 91 91 VAL H H 91 8.189 8.189 8.444 -0.255 25564 5427 1 10 . 1 1 92 92 VAL N N 92 125.593 125.593 127.975 -2.382 25564 5428 1 10 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.713 0.294 25564 5429 1 10 . 1 1 92 92 VAL C C 92 176.045 176.045 175.464 0.581 25564 5430 1 10 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.117 0.244 25564 5431 1 10 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.308 1.826 25564 5432 1 10 . 1 1 92 92 VAL H H 92 8.300 8.300 8.426 -0.126 25564 5433 1 10 . 1 1 93 93 ILE N N 93 127.733 127.733 124.371 3.362 25564 5434 1 10 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.683 -0.267 25564 5435 1 10 . 1 1 93 93 ILE C C 93 174.071 174.071 174.421 -0.350 25564 5436 1 10 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.688 0.151 25564 5437 1 10 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.476 2.756 25564 5438 1 10 . 1 1 93 93 ILE H H 93 9.471 9.471 9.022 0.449 25564 5439 1 10 . 1 1 94 94 GLN N N 94 123.610 123.610 127.278 -3.668 25564 5440 1 10 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.949 0.592 25564 5441 1 10 . 1 1 94 94 GLN C C 94 175.328 175.328 175.203 0.125 25564 5442 1 10 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.760 -0.178 25564 5443 1 10 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.135 1.894 25564 5444 1 10 . 1 1 94 94 GLN H H 94 8.522 8.522 8.653 -0.131 25564 5445 1 10 . 1 1 95 95 GLN N N 95 123.044 123.044 124.005 -0.961 25564 5446 1 10 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.643 -0.133 25564 5447 1 10 . 1 1 95 95 GLN C C 95 173.530 173.530 174.341 -0.811 25564 5448 1 10 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.552 0.370 25564 5449 1 10 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.680 -0.157 25564 5450 1 10 . 1 1 95 95 GLN H H 95 8.893 8.893 9.023 -0.130 25564 5451 1 10 . 1 1 96 96 GLU N N 96 128.881 128.881 126.117 2.764 25564 5452 1 10 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.753 0.990 25564 5453 1 10 . 1 1 96 96 GLU C C 96 178.926 178.926 176.696 2.230 25564 5454 1 10 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.196 -0.377 25564 5455 1 10 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.135 0.390 25564 5456 1 10 . 1 1 96 96 GLU H H 96 8.913 8.913 8.780 0.133 25564 5457 1 10 . 1 1 97 97 THR N N 97 116.022 116.022 120.823 -4.801 25564 5458 1 10 . 1 1 97 97 THR HA H 97 4.344 4.344 4.418 -0.074 25564 5459 1 10 . 1 1 97 97 THR C C 97 176.660 176.660 175.923 0.737 25564 5460 1 10 . 1 1 97 97 THR CA C 97 61.453 61.453 62.642 -1.189 25564 5461 1 10 . 1 1 97 97 THR CB C 97 69.742 69.742 69.271 0.471 25564 5462 1 10 . 1 1 97 97 THR H H 97 8.740 8.740 8.827 -0.087 25564 5463 1 10 . 1 1 98 98 THR N N 98 110.068 110.068 121.468 -11.400 25564 5464 1 10 . 1 1 98 98 THR HA H 98 4.270 4.270 4.157 0.113 25564 5465 1 10 . 1 1 98 98 THR C C 98 173.859 173.859 175.404 -1.545 25564 5466 1 10 . 1 1 98 98 THR CA C 98 62.659 62.659 63.993 -1.334 25564 5467 1 10 . 1 1 98 98 THR CB C 98 69.654 69.654 69.133 0.521 25564 5468 1 10 . 1 1 98 98 THR H H 98 7.287 7.287 8.734 -1.447 25564 5469 1 10 . 1 1 99 99 GLY N N 99 103.540 103.540 109.521 -5.981 25564 5470 1 10 . 1 1 99 99 GLY C C 99 174.225 174.225 172.762 1.463 25564 5471 1 10 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.507 0.448 25564 5472 1 10 . 1 1 99 99 GLY H H 99 8.033 8.033 7.369 0.664 25564 5473 1 10 . 1 1 100 100 THR N N 100 114.887 114.887 117.322 -2.435 25564 5474 1 10 . 1 1 100 100 THR HA H 100 4.623 4.623 4.690 -0.067 25564 5475 1 10 . 1 1 100 100 THR C C 100 172.336 172.336 173.468 -1.132 25564 5476 1 10 . 1 1 100 100 THR CA C 100 59.775 59.775 59.618 0.157 25564 5477 1 10 . 1 1 100 100 THR CB C 100 70.644 70.644 69.470 1.174 25564 5478 1 10 . 1 1 100 100 THR H H 100 8.055 8.055 8.286 -0.231 25564 5479 1 10 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.351 0.148 25564 5480 1 10 . 1 1 101 101 PRO C C 101 177.344 177.344 177.246 0.098 25564 5481 1 10 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.506 -0.398 25564 5482 1 10 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.846 0.439 25564 5483 1 10 . 1 1 102 102 ARG N N 102 122.476 122.476 115.776 6.700 25564 5484 1 10 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.113 0.201 25564 5485 1 10 . 1 1 102 102 ARG C C 102 176.790 176.790 175.905 0.885 25564 5486 1 10 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.291 0.112 25564 5487 1 10 . 1 1 102 102 ARG CB C 102 31.265 31.265 28.968 2.296 25564 5488 1 10 . 1 1 102 102 ARG H H 102 8.771 8.771 8.118 0.653 25564 5489 1 10 . 1 1 103 103 SER HA H 103 4.523 4.523 4.212 0.311 25564 5490 1 10 . 1 1 103 103 SER CA C 103 58.311 58.311 59.389 -1.077 25564 5491 1 10 . 1 1 103 103 SER CB C 103 64.168 64.168 62.485 1.683 25564 5492 1 10 . 1 1 104 104 ASP N N 104 122.461 122.461 116.511 5.950 25564 5493 1 10 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.945 -0.297 25564 5494 1 10 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.366 0.200 25564 5495 1 10 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.478 -0.095 25564 5496 1 10 . 1 1 104 104 ASP H H 104 8.418 8.418 8.322 0.096 25564 5497 1 10 . 1 1 105 105 GLY N N 105 109.250 109.250 108.821 0.429 25564 5498 1 10 . 1 1 105 105 GLY C C 105 173.987 173.987 174.517 -0.530 25564 5499 1 10 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.934 0.839 25564 5500 1 10 . 1 1 105 105 GLY H H 105 8.390 8.390 8.280 0.110 25564 5501 1 11 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.392 0.231 25564 5502 1 11 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.699 0.237 25564 5503 1 11 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.761 2.510 25564 5504 1 11 . 1 1 7 7 THR HA H 7 4.470 4.470 4.521 -0.051 25564 5505 1 11 . 1 1 7 7 THR CA C 7 61.923 61.923 60.886 1.037 25564 5506 1 11 . 1 1 7 7 THR CB C 7 70.142 70.142 70.108 0.034 25564 5507 1 11 . 1 1 8 8 THR N N 8 116.706 116.706 121.438 -4.732 25564 5508 1 11 . 1 1 8 8 THR HA H 8 4.371 4.371 4.183 0.188 25564 5509 1 11 . 1 1 8 8 THR C C 8 173.590 173.590 173.796 -0.206 25564 5510 1 11 . 1 1 8 8 THR CA C 8 61.606 61.606 63.501 -1.895 25564 5511 1 11 . 1 1 8 8 THR CB C 8 70.303 70.303 68.838 1.465 25564 5512 1 11 . 1 1 8 8 THR H H 8 8.238 8.238 8.404 -0.166 25564 5513 1 11 . 1 1 9 9 ALA N N 9 127.030 127.030 130.730 -3.700 25564 5514 1 11 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.667 -0.374 25564 5515 1 11 . 1 1 9 9 ALA C C 9 175.005 175.005 174.963 0.042 25564 5516 1 11 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.542 1.271 25564 5517 1 11 . 1 1 9 9 ALA CB C 9 18.430 18.430 20.467 -2.037 25564 5518 1 11 . 1 1 9 9 ALA H H 9 8.220 8.220 8.091 0.129 25564 5519 1 11 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.591 -0.262 25564 5520 1 11 . 1 1 10 10 PRO C C 10 175.138 175.138 175.340 -0.202 25564 5521 1 11 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.290 0.507 25564 5522 1 11 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.822 -0.985 25564 5523 1 11 . 1 1 11 11 ASP N N 11 116.244 116.244 118.015 -1.771 25564 5524 1 11 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.827 -0.417 25564 5525 1 11 . 1 1 11 11 ASP C C 11 174.009 174.009 175.492 -1.483 25564 5526 1 11 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.306 0.077 25564 5527 1 11 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.936 -4.107 25564 5528 1 11 . 1 1 11 11 ASP H H 11 9.038 9.038 8.287 0.751 25564 5529 1 11 . 1 1 12 12 ALA N N 12 120.012 120.012 122.970 -2.958 25564 5530 1 11 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.646 -0.179 25564 5531 1 11 . 1 1 12 12 ALA C C 12 175.669 175.669 175.174 0.495 25564 5532 1 11 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.749 0.491 25564 5533 1 11 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.398 -0.488 25564 5534 1 11 . 1 1 12 12 ALA H H 12 7.944 7.944 8.179 -0.235 25564 5535 1 11 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.012 -0.523 25564 5536 1 11 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.726 -0.401 25564 5537 1 11 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.331 0.498 25564 5538 1 11 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.320 0.166 25564 5539 1 11 . 1 1 14 14 PRO C C 14 175.966 175.966 176.645 -0.679 25564 5540 1 11 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.850 0.145 25564 5541 1 11 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.211 0.418 25564 5542 1 11 . 1 1 15 15 ASP N N 15 117.405 117.405 119.413 -2.008 25564 5543 1 11 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.373 0.185 25564 5544 1 11 . 1 1 15 15 ASP C C 15 173.011 173.011 174.909 -1.898 25564 5545 1 11 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.614 0.616 25564 5546 1 11 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.043 1.279 25564 5547 1 11 . 1 1 15 15 ASP H H 15 8.470 8.470 8.489 -0.019 25564 5548 1 11 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.704 0.648 25564 5549 1 11 . 1 1 16 16 PRO C C 16 177.534 177.534 176.694 0.840 25564 5550 1 11 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.114 0.490 25564 5551 1 11 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.872 -1.388 25564 5552 1 11 . 1 1 17 17 THR N N 17 117.955 117.955 118.417 -0.462 25564 5553 1 11 . 1 1 17 17 THR HA H 17 4.563 4.563 4.508 0.055 25564 5554 1 11 . 1 1 17 17 THR C C 17 172.578 172.578 173.890 -1.312 25564 5555 1 11 . 1 1 17 17 THR CA C 17 61.093 61.093 61.743 -0.650 25564 5556 1 11 . 1 1 17 17 THR CB C 17 72.478 72.478 70.683 1.795 25564 5557 1 11 . 1 1 17 17 THR H H 17 9.415 9.415 8.643 0.772 25564 5558 1 11 . 1 1 18 18 VAL N N 18 124.494 124.494 128.863 -4.369 25564 5559 1 11 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.188 0.184 25564 5560 1 11 . 1 1 18 18 VAL C C 18 175.392 175.392 175.855 -0.463 25564 5561 1 11 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.244 -0.394 25564 5562 1 11 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.835 0.239 25564 5563 1 11 . 1 1 18 18 VAL H H 18 8.645 8.645 8.782 -0.137 25564 5564 1 11 . 1 1 19 19 ASP N N 19 129.904 129.904 128.763 1.141 25564 5565 1 11 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.627 0.096 25564 5566 1 11 . 1 1 19 19 ASP C C 19 175.427 175.427 175.896 -0.469 25564 5567 1 11 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.573 -0.670 25564 5568 1 11 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.053 2.218 25564 5569 1 11 . 1 1 19 19 ASP H H 19 8.805 8.805 8.737 0.068 25564 5570 1 11 . 1 1 20 20 GLN N N 20 115.835 115.835 118.352 -2.517 25564 5571 1 11 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.706 -0.256 25564 5572 1 11 . 1 1 20 20 GLN C C 20 173.593 173.593 173.979 -0.386 25564 5573 1 11 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.608 1.337 25564 5574 1 11 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.776 -0.787 25564 5575 1 11 . 1 1 20 20 GLN H H 20 7.431 7.431 7.679 -0.248 25564 5576 1 11 . 1 1 21 21 VAL N N 21 122.956 122.956 117.474 5.482 25564 5577 1 11 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.573 0.146 25564 5578 1 11 . 1 1 21 21 VAL C C 21 173.753 173.753 174.397 -0.644 25564 5579 1 11 . 1 1 21 21 VAL CA C 21 61.319 61.319 60.371 0.948 25564 5580 1 11 . 1 1 21 21 VAL CB C 21 35.003 35.003 34.823 0.180 25564 5581 1 11 . 1 1 21 21 VAL H H 21 8.317 8.317 8.324 -0.007 25564 5582 1 11 . 1 1 22 22 ASP N N 22 129.722 129.722 125.574 4.148 25564 5583 1 11 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.063 -0.309 25564 5584 1 11 . 1 1 22 22 ASP C C 22 176.114 176.114 176.583 -0.469 25564 5585 1 11 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.665 0.974 25564 5586 1 11 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.745 -3.368 25564 5587 1 11 . 1 1 22 22 ASP H H 22 8.778 8.778 8.832 -0.054 25564 5588 1 11 . 1 1 23 23 ASP N N 23 115.970 115.970 118.271 -2.301 25564 5589 1 11 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.445 0.189 25564 5590 1 11 . 1 1 23 23 ASP C C 23 175.820 175.820 175.895 -0.075 25564 5591 1 11 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.232 -0.905 25564 5592 1 11 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.622 0.284 25564 5593 1 11 . 1 1 23 23 ASP H H 23 8.049 8.049 8.477 -0.428 25564 5594 1 11 . 1 1 24 24 THR N N 24 97.756 97.756 107.784 -10.028 25564 5595 1 11 . 1 1 24 24 THR HA H 24 4.566 4.566 4.556 0.010 25564 5596 1 11 . 1 1 24 24 THR C C 24 174.274 174.274 173.122 1.152 25564 5597 1 11 . 1 1 24 24 THR CA C 24 59.595 59.595 61.104 -1.509 25564 5598 1 11 . 1 1 24 24 THR CB C 24 71.670 71.670 68.611 3.059 25564 5599 1 11 . 1 1 24 24 THR H H 24 7.392 7.392 7.854 -0.462 25564 5600 1 11 . 1 1 25 25 SER N N 25 116.249 116.249 116.262 -0.013 25564 5601 1 11 . 1 1 25 25 SER HA H 25 5.440 5.440 5.342 0.098 25564 5602 1 11 . 1 1 25 25 SER C C 25 171.891 171.891 172.274 -0.383 25564 5603 1 11 . 1 1 25 25 SER CA C 25 57.670 57.670 58.541 -0.871 25564 5604 1 11 . 1 1 25 25 SER CB C 25 67.439 67.439 66.455 0.984 25564 5605 1 11 . 1 1 25 25 SER H H 25 7.693 7.693 7.558 0.135 25564 5606 1 11 . 1 1 26 26 ILE N N 26 118.594 118.594 123.598 -5.004 25564 5607 1 11 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.762 -0.348 25564 5608 1 11 . 1 1 26 26 ILE C C 26 174.020 174.020 173.666 0.354 25564 5609 1 11 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.839 0.295 25564 5610 1 11 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.925 2.163 25564 5611 1 11 . 1 1 26 26 ILE H H 26 8.141 8.141 8.703 -0.562 25564 5612 1 11 . 1 1 27 27 VAL N N 27 126.778 126.778 125.405 1.373 25564 5613 1 11 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.204 -0.231 25564 5614 1 11 . 1 1 27 27 VAL C C 27 175.692 175.692 174.774 0.918 25564 5615 1 11 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.214 1.235 25564 5616 1 11 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.859 -0.046 25564 5617 1 11 . 1 1 27 27 VAL H H 27 8.642 8.642 8.977 -0.335 25564 5618 1 11 . 1 1 28 28 VAL N N 28 127.624 127.624 122.200 5.424 25564 5619 1 11 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.919 -0.059 25564 5620 1 11 . 1 1 28 28 VAL C C 28 173.467 173.467 173.792 -0.325 25564 5621 1 11 . 1 1 28 28 VAL CA C 28 60.454 60.454 58.824 1.630 25564 5622 1 11 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.424 -0.472 25564 5623 1 11 . 1 1 28 28 VAL H H 28 8.656 8.656 8.914 -0.258 25564 5624 1 11 . 1 1 29 29 ARG N N 29 123.905 123.905 124.946 -1.041 25564 5625 1 11 . 1 1 29 29 ARG HA H 29 4.717 4.717 5.041 -0.324 25564 5626 1 11 . 1 1 29 29 ARG C C 29 174.147 174.147 175.413 -1.266 25564 5627 1 11 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.232 0.634 25564 5628 1 11 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.969 1.222 25564 5629 1 11 . 1 1 29 29 ARG H H 29 9.075 9.075 8.449 0.626 25564 5630 1 11 . 1 1 30 30 TRP N N 30 116.284 116.284 124.171 -7.887 25564 5631 1 11 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.086 -0.240 25564 5632 1 11 . 1 1 30 30 TRP C C 30 174.778 174.778 175.749 -0.971 25564 5633 1 11 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.594 2.941 25564 5634 1 11 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.008 -0.710 25564 5635 1 11 . 1 1 30 30 TRP H H 30 7.512 7.512 8.102 -0.590 25564 5636 1 11 . 1 1 31 31 SER HA H 31 4.747 4.747 4.625 0.122 25564 5637 1 11 . 1 1 31 31 SER C C 31 172.773 172.773 174.502 -1.729 25564 5638 1 11 . 1 1 31 31 SER CA C 31 57.875 57.875 58.533 -0.658 25564 5639 1 11 . 1 1 31 31 SER CB C 31 64.093 64.093 62.514 1.579 25564 5640 1 11 . 1 1 32 32 ARG N N 32 122.062 122.062 125.338 -3.276 25564 5641 1 11 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.711 0.168 25564 5642 1 11 . 1 1 32 32 ARG C C 32 175.788 175.788 175.074 0.714 25564 5643 1 11 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.260 -0.975 25564 5644 1 11 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.413 2.007 25564 5645 1 11 . 1 1 32 32 ARG H H 32 8.337 8.337 7.797 0.540 25564 5646 1 11 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.666 -0.190 25564 5647 1 11 . 1 1 33 33 PRO C C 33 175.739 175.739 176.318 -0.579 25564 5648 1 11 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.348 0.618 25564 5649 1 11 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.126 -0.151 25564 5650 1 11 . 1 1 34 34 GLN N N 34 122.510 122.510 118.089 4.421 25564 5651 1 11 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.354 -0.200 25564 5652 1 11 . 1 1 34 34 GLN C C 34 177.396 177.396 175.963 1.433 25564 5653 1 11 . 1 1 34 34 GLN CA C 34 57.503 57.503 55.856 1.647 25564 5654 1 11 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.974 0.673 25564 5655 1 11 . 1 1 34 34 GLN H H 34 10.310 10.310 8.600 1.710 25564 5656 1 11 . 1 1 35 35 ALA N N 35 123.797 123.797 124.355 -0.558 25564 5657 1 11 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.452 0.026 25564 5658 1 11 . 1 1 35 35 ALA C C 35 174.959 174.959 175.484 -0.525 25564 5659 1 11 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.439 0.428 25564 5660 1 11 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.707 0.463 25564 5661 1 11 . 1 1 35 35 ALA H H 35 8.725 8.725 7.573 1.152 25564 5662 1 11 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.492 0.091 25564 5663 1 11 . 1 1 36 36 PRO C C 36 175.555 175.555 175.589 -0.034 25564 5664 1 11 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.198 -0.196 25564 5665 1 11 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.170 -1.195 25564 5666 1 11 . 1 1 37 37 ILE N N 37 114.656 114.656 118.088 -3.432 25564 5667 1 11 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.629 -0.229 25564 5668 1 11 . 1 1 37 37 ILE C C 37 176.204 176.204 175.643 0.561 25564 5669 1 11 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.902 2.209 25564 5670 1 11 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.734 0.908 25564 5671 1 11 . 1 1 37 37 ILE H H 37 7.946 7.946 7.847 0.099 25564 5672 1 11 . 1 1 38 38 THR N N 38 109.332 109.332 113.456 -4.124 25564 5673 1 11 . 1 1 38 38 THR HA H 38 4.576 4.576 4.661 -0.085 25564 5674 1 11 . 1 1 38 38 THR C C 38 175.325 175.325 175.345 -0.020 25564 5675 1 11 . 1 1 38 38 THR CA C 38 61.858 61.858 61.991 -0.133 25564 5676 1 11 . 1 1 38 38 THR CB C 38 69.971 69.971 70.222 -0.252 25564 5677 1 11 . 1 1 38 38 THR H H 38 9.767 9.767 8.953 0.814 25564 5678 1 11 . 1 1 39 39 GLY N N 39 109.326 109.326 109.616 -0.290 25564 5679 1 11 . 1 1 39 39 GLY C C 39 169.390 169.390 171.702 -2.312 25564 5680 1 11 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.957 -0.317 25564 5681 1 11 . 1 1 39 39 GLY H H 39 7.641 7.641 7.967 -0.326 25564 5682 1 11 . 1 1 40 40 TYR N N 40 113.638 113.638 118.411 -4.773 25564 5683 1 11 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.580 -0.228 25564 5684 1 11 . 1 1 40 40 TYR C C 40 174.719 174.719 174.949 -0.230 25564 5685 1 11 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.714 0.275 25564 5686 1 11 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.119 0.200 25564 5687 1 11 . 1 1 40 40 TYR H H 40 8.470 8.470 8.741 -0.271 25564 5688 1 11 . 1 1 41 41 ARG N N 41 125.140 125.140 121.771 3.369 25564 5689 1 11 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.450 -0.168 25564 5690 1 11 . 1 1 41 41 ARG C C 41 173.714 173.714 175.174 -1.460 25564 5691 1 11 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.611 1.158 25564 5692 1 11 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.445 1.256 25564 5693 1 11 . 1 1 41 41 ARG H H 41 9.148 9.148 9.054 0.094 25564 5694 1 11 . 1 1 42 42 ILE N N 42 126.999 126.999 122.446 4.553 25564 5695 1 11 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.138 0.204 25564 5696 1 11 . 1 1 42 42 ILE C C 42 174.706 174.706 174.885 -0.179 25564 5697 1 11 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.727 -1.944 25564 5698 1 11 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.922 -0.527 25564 5699 1 11 . 1 1 42 42 ILE H H 42 9.237 9.237 8.899 0.338 25564 5700 1 11 . 1 1 43 43 VAL N N 43 126.775 126.775 128.566 -1.791 25564 5701 1 11 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.862 0.486 25564 5702 1 11 . 1 1 43 43 VAL C C 43 175.795 175.795 175.484 0.311 25564 5703 1 11 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.965 -0.361 25564 5704 1 11 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.234 1.945 25564 5705 1 11 . 1 1 43 43 VAL H H 43 9.369 9.369 8.984 0.385 25564 5706 1 11 . 1 1 44 44 TYR N N 44 122.788 122.788 126.109 -3.321 25564 5707 1 11 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.889 0.355 25564 5708 1 11 . 1 1 44 44 TYR C C 44 174.353 174.353 174.828 -0.475 25564 5709 1 11 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.312 1.098 25564 5710 1 11 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.132 3.218 25564 5711 1 11 . 1 1 44 44 TYR H H 44 9.253 9.253 8.896 0.357 25564 5712 1 11 . 1 1 45 45 SER N N 45 114.339 114.339 117.436 -3.097 25564 5713 1 11 . 1 1 45 45 SER HA H 45 5.208 5.208 5.017 0.191 25564 5714 1 11 . 1 1 45 45 SER C C 45 171.693 171.693 172.271 -0.578 25564 5715 1 11 . 1 1 45 45 SER CA C 45 55.870 55.870 55.465 0.405 25564 5716 1 11 . 1 1 45 45 SER CB C 45 65.646 65.646 65.795 -0.149 25564 5717 1 11 . 1 1 45 45 SER H H 45 8.797 8.797 9.047 -0.250 25564 5718 1 11 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.844 -0.458 25564 5719 1 11 . 1 1 46 46 PRO C C 46 177.666 177.666 176.652 1.014 25564 5720 1 11 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.212 0.480 25564 5721 1 11 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.167 -0.150 25564 5722 1 11 . 1 1 47 47 SER N N 47 118.732 118.732 116.420 2.312 25564 5723 1 11 . 1 1 47 47 SER HA H 47 4.069 4.069 4.311 -0.242 25564 5724 1 11 . 1 1 47 47 SER C C 47 175.055 175.055 175.273 -0.218 25564 5725 1 11 . 1 1 47 47 SER CA C 47 60.992 60.992 60.039 0.953 25564 5726 1 11 . 1 1 47 47 SER CB C 47 63.541 63.541 63.880 -0.340 25564 5727 1 11 . 1 1 47 47 SER H H 47 8.648 8.648 8.498 0.150 25564 5728 1 11 . 1 1 48 48 VAL N N 48 117.213 117.213 118.850 -1.637 25564 5729 1 11 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.100 -0.018 25564 5730 1 11 . 1 1 48 48 VAL C C 48 175.456 175.456 174.893 0.563 25564 5731 1 11 . 1 1 48 48 VAL CA C 48 62.987 62.987 63.137 -0.150 25564 5732 1 11 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.049 -0.180 25564 5733 1 11 . 1 1 48 48 VAL H H 48 7.640 7.640 7.960 -0.320 25564 5734 1 11 . 1 1 49 49 GLU N N 49 119.528 119.528 118.998 0.530 25564 5735 1 11 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.353 -0.205 25564 5736 1 11 . 1 1 49 49 GLU C C 49 176.081 176.081 174.558 1.523 25564 5737 1 11 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.417 0.757 25564 5738 1 11 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.667 -1.499 25564 5739 1 11 . 1 1 49 49 GLU H H 49 8.150 8.150 7.849 0.301 25564 5740 1 11 . 1 1 50 50 GLY N N 50 108.013 108.013 110.246 -2.233 25564 5741 1 11 . 1 1 50 50 GLY C C 50 173.617 173.617 173.327 0.290 25564 5742 1 11 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.959 0.451 25564 5743 1 11 . 1 1 50 50 GLY H H 50 8.144 8.144 8.087 0.057 25564 5744 1 11 . 1 1 51 51 SER N N 51 115.893 115.893 118.708 -2.815 25564 5745 1 11 . 1 1 51 51 SER HA H 51 4.604 4.604 4.804 -0.200 25564 5746 1 11 . 1 1 51 51 SER CA C 51 58.145 58.145 58.198 -0.053 25564 5747 1 11 . 1 1 51 51 SER CB C 51 64.429 64.429 64.241 0.188 25564 5748 1 11 . 1 1 51 51 SER H H 51 8.248 8.248 8.613 -0.365 25564 5749 1 11 . 1 1 52 52 SER HA H 52 4.795 4.795 5.380 -0.585 25564 5750 1 11 . 1 1 52 52 SER C C 52 173.840 173.840 174.155 -0.315 25564 5751 1 11 . 1 1 52 52 SER CA C 52 58.319 58.319 58.210 0.109 25564 5752 1 11 . 1 1 52 52 SER CB C 52 65.231 65.231 65.186 0.045 25564 5753 1 11 . 1 1 53 53 THR N N 53 121.052 121.052 119.720 1.332 25564 5754 1 11 . 1 1 53 53 THR HA H 53 4.294 4.294 4.426 -0.132 25564 5755 1 11 . 1 1 53 53 THR C C 53 171.241 171.241 171.654 -0.413 25564 5756 1 11 . 1 1 53 53 THR CA C 53 62.799 62.799 61.364 1.435 25564 5757 1 11 . 1 1 53 53 THR CB C 53 70.995 70.995 71.963 -0.968 25564 5758 1 11 . 1 1 53 53 THR H H 53 8.344 8.344 8.482 -0.138 25564 5759 1 11 . 1 1 54 54 GLU N N 54 125.190 125.190 124.928 0.262 25564 5760 1 11 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.594 0.020 25564 5761 1 11 . 1 1 54 54 GLU C C 54 175.175 175.175 175.391 -0.216 25564 5762 1 11 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.270 0.242 25564 5763 1 11 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.875 1.796 25564 5764 1 11 . 1 1 54 54 GLU H H 54 8.458 8.458 8.432 0.026 25564 5765 1 11 . 1 1 55 55 LEU N N 55 125.745 125.745 125.973 -0.228 25564 5766 1 11 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.698 0.157 25564 5767 1 11 . 1 1 55 55 LEU C C 55 175.121 175.121 175.171 -0.050 25564 5768 1 11 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.747 0.259 25564 5769 1 11 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.970 0.766 25564 5770 1 11 . 1 1 55 55 LEU H H 55 9.755 9.755 8.754 1.001 25564 5771 1 11 . 1 1 56 56 ASN N N 56 120.517 120.517 120.302 0.215 25564 5772 1 11 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.591 -0.027 25564 5773 1 11 . 1 1 56 56 ASN C C 56 174.180 174.180 174.109 0.071 25564 5774 1 11 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.236 1.039 25564 5775 1 11 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.067 1.384 25564 5776 1 11 . 1 1 56 56 ASN H H 56 8.727 8.727 8.507 0.220 25564 5777 1 11 . 1 1 57 57 LEU N N 57 123.534 123.534 126.292 -2.758 25564 5778 1 11 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.043 0.092 25564 5779 1 11 . 1 1 57 57 LEU C C 57 174.960 174.960 175.100 -0.140 25564 5780 1 11 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.589 0.536 25564 5781 1 11 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.161 0.647 25564 5782 1 11 . 1 1 57 57 LEU H H 57 9.075 9.075 8.784 0.291 25564 5783 1 11 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.551 0.504 25564 5784 1 11 . 1 1 58 58 PRO C C 58 176.897 176.897 178.399 -1.502 25564 5785 1 11 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.636 -0.046 25564 5786 1 11 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.154 1.713 25564 5787 1 11 . 1 1 59 59 GLU N N 59 117.522 117.522 120.556 -3.034 25564 5788 1 11 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.082 -0.101 25564 5789 1 11 . 1 1 59 59 GLU C C 59 175.246 175.246 176.562 -1.316 25564 5790 1 11 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.733 -0.828 25564 5791 1 11 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.869 0.055 25564 5792 1 11 . 1 1 59 59 GLU H H 59 8.905 8.905 8.803 0.102 25564 5793 1 11 . 1 1 60 60 THR N N 60 106.153 106.153 111.391 -5.238 25564 5794 1 11 . 1 1 60 60 THR HA H 60 4.155 4.155 4.418 -0.263 25564 5795 1 11 . 1 1 60 60 THR C C 60 175.087 175.087 173.866 1.221 25564 5796 1 11 . 1 1 60 60 THR CA C 60 61.646 61.646 60.759 0.887 25564 5797 1 11 . 1 1 60 60 THR CB C 60 69.638 69.638 67.760 1.878 25564 5798 1 11 . 1 1 60 60 THR H H 60 7.056 7.056 7.910 -0.854 25564 5799 1 11 . 1 1 61 61 ALA N N 61 125.590 125.590 124.819 0.771 25564 5800 1 11 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.224 0.126 25564 5801 1 11 . 1 1 61 61 ALA C C 61 176.988 176.988 176.386 0.602 25564 5802 1 11 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.022 1.448 25564 5803 1 11 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.378 0.846 25564 5804 1 11 . 1 1 61 61 ALA H H 61 7.808 7.808 7.941 -0.133 25564 5805 1 11 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.948 -0.285 25564 5806 1 11 . 1 1 62 62 ASN C C 62 171.666 171.666 172.653 -0.987 25564 5807 1 11 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.007 0.172 25564 5808 1 11 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.108 -0.432 25564 5809 1 11 . 1 1 63 63 SER N N 63 109.802 109.802 113.617 -3.815 25564 5810 1 11 . 1 1 63 63 SER HA H 63 4.341 4.341 4.491 -0.150 25564 5811 1 11 . 1 1 63 63 SER C C 63 172.378 172.378 172.474 -0.096 25564 5812 1 11 . 1 1 63 63 SER CA C 63 56.541 56.541 57.216 -0.675 25564 5813 1 11 . 1 1 63 63 SER CB C 63 65.498 65.498 65.164 0.334 25564 5814 1 11 . 1 1 63 63 SER H H 63 6.764 6.764 6.722 0.042 25564 5815 1 11 . 1 1 64 64 VAL N N 64 117.873 117.873 122.035 -4.162 25564 5816 1 11 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.395 0.045 25564 5817 1 11 . 1 1 64 64 VAL C C 64 171.395 171.395 174.580 -3.185 25564 5818 1 11 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.790 0.954 25564 5819 1 11 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.460 -0.369 25564 5820 1 11 . 1 1 64 64 VAL H H 64 8.793 8.793 8.678 0.115 25564 5821 1 11 . 1 1 65 65 THR N N 65 123.328 123.328 124.742 -1.414 25564 5822 1 11 . 1 1 65 65 THR HA H 65 4.703 4.703 4.497 0.206 25564 5823 1 11 . 1 1 65 65 THR C C 65 173.608 173.608 174.078 -0.470 25564 5824 1 11 . 1 1 65 65 THR CA C 65 62.094 62.094 62.056 0.039 25564 5825 1 11 . 1 1 65 65 THR CB C 65 69.754 69.754 68.266 1.488 25564 5826 1 11 . 1 1 65 65 THR H H 65 8.377 8.377 8.498 -0.121 25564 5827 1 11 . 1 1 66 66 LEU N N 66 130.029 130.029 129.169 0.860 25564 5828 1 11 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.195 0.156 25564 5829 1 11 . 1 1 66 66 LEU C C 66 174.738 174.738 175.923 -1.185 25564 5830 1 11 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.873 -1.315 25564 5831 1 11 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.842 -0.636 25564 5832 1 11 . 1 1 66 66 LEU H H 66 9.232 9.232 8.668 0.564 25564 5833 1 11 . 1 1 67 67 SER N N 67 117.107 117.107 114.766 2.341 25564 5834 1 11 . 1 1 67 67 SER HA H 67 4.936 4.936 5.084 -0.148 25564 5835 1 11 . 1 1 67 67 SER C C 67 172.509 172.509 173.853 -1.344 25564 5836 1 11 . 1 1 67 67 SER CA C 67 57.340 57.340 56.853 0.486 25564 5837 1 11 . 1 1 67 67 SER CB C 67 66.115 66.115 65.972 0.143 25564 5838 1 11 . 1 1 67 67 SER H H 67 8.174 8.174 8.249 -0.075 25564 5839 1 11 . 1 1 68 68 ASP N N 68 116.924 116.924 119.207 -2.283 25564 5840 1 11 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.322 0.032 25564 5841 1 11 . 1 1 68 68 ASP C C 68 175.654 175.654 175.486 0.168 25564 5842 1 11 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.720 -0.118 25564 5843 1 11 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.974 -0.260 25564 5844 1 11 . 1 1 68 68 ASP H H 68 9.003 9.003 8.311 0.692 25564 5845 1 11 . 1 1 69 69 LEU N N 69 116.713 116.713 116.559 0.154 25564 5846 1 11 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.151 0.185 25564 5847 1 11 . 1 1 69 69 LEU C C 69 175.793 175.793 177.038 -1.245 25564 5848 1 11 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.438 -1.891 25564 5849 1 11 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.790 -1.756 25564 5850 1 11 . 1 1 69 69 LEU H H 69 8.605 8.605 7.038 1.567 25564 5851 1 11 . 1 1 70 70 GLN N N 70 118.301 118.301 118.118 0.183 25564 5852 1 11 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.857 -0.091 25564 5853 1 11 . 1 1 70 70 GLN C C 70 174.178 174.178 173.731 0.447 25564 5854 1 11 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.553 0.395 25564 5855 1 11 . 1 1 70 70 GLN CB C 70 30.626 30.626 30.671 -0.045 25564 5856 1 11 . 1 1 70 70 GLN H H 70 8.288 8.288 8.578 -0.290 25564 5857 1 11 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.236 1.016 25564 5858 1 11 . 1 1 71 71 PRO C C 71 177.837 177.837 177.449 0.388 25564 5859 1 11 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.760 -0.662 25564 5860 1 11 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.405 1.988 25564 5861 1 11 . 1 1 72 72 GLY N N 72 111.077 111.077 112.012 -0.935 25564 5862 1 11 . 1 1 72 72 GLY C C 72 174.621 174.621 173.209 1.412 25564 5863 1 11 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.141 2.085 25564 5864 1 11 . 1 1 72 72 GLY H H 72 7.348 7.348 8.448 -1.100 25564 5865 1 11 . 1 1 73 73 VAL N N 73 120.434 120.434 118.479 1.955 25564 5866 1 11 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.213 -0.101 25564 5867 1 11 . 1 1 73 73 VAL C C 73 173.963 173.963 174.364 -0.401 25564 5868 1 11 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.994 0.700 25564 5869 1 11 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.805 -0.382 25564 5870 1 11 . 1 1 73 73 VAL H H 73 7.670 7.670 8.448 -0.778 25564 5871 1 11 . 1 1 74 74 GLN N N 74 123.606 123.606 125.789 -2.183 25564 5872 1 11 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.423 -0.216 25564 5873 1 11 . 1 1 74 74 GLN C C 74 174.283 174.283 174.394 -0.111 25564 5874 1 11 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.344 1.161 25564 5875 1 11 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.282 1.193 25564 5876 1 11 . 1 1 74 74 GLN H H 74 8.263 8.263 8.614 -0.351 25564 5877 1 11 . 1 1 75 75 TYR N N 75 127.153 127.153 126.601 0.552 25564 5878 1 11 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.890 -0.150 25564 5879 1 11 . 1 1 75 75 TYR C C 75 174.412 174.412 174.935 -0.523 25564 5880 1 11 . 1 1 75 75 TYR CA C 75 59.183 59.183 56.942 2.241 25564 5881 1 11 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.598 0.283 25564 5882 1 11 . 1 1 75 75 TYR H H 75 8.916 8.916 8.923 -0.007 25564 5883 1 11 . 1 1 76 76 ASN N N 76 120.363 120.363 123.771 -3.408 25564 5884 1 11 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.019 0.174 25564 5885 1 11 . 1 1 76 76 ASN C C 76 174.903 174.903 174.511 0.392 25564 5886 1 11 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.739 -0.900 25564 5887 1 11 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.858 1.481 25564 5888 1 11 . 1 1 76 76 ASN H H 76 9.014 9.014 9.095 -0.081 25564 5889 1 11 . 1 1 77 77 ILE N N 77 127.376 127.376 127.185 0.191 25564 5890 1 11 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.385 0.263 25564 5891 1 11 . 1 1 77 77 ILE C C 77 173.510 173.510 175.171 -1.661 25564 5892 1 11 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.322 0.034 25564 5893 1 11 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.447 2.464 25564 5894 1 11 . 1 1 77 77 ILE H H 77 9.466 9.466 8.940 0.526 25564 5895 1 11 . 1 1 78 78 THR N N 78 124.282 124.282 126.451 -2.169 25564 5896 1 11 . 1 1 78 78 THR HA H 78 5.117 5.117 5.461 -0.344 25564 5897 1 11 . 1 1 78 78 THR C C 78 173.140 173.140 173.692 -0.552 25564 5898 1 11 . 1 1 78 78 THR CA C 78 61.961 61.961 61.102 0.859 25564 5899 1 11 . 1 1 78 78 THR CB C 78 70.244 70.244 69.688 0.556 25564 5900 1 11 . 1 1 78 78 THR H H 78 9.535 9.535 8.733 0.802 25564 5901 1 11 . 1 1 79 79 ILE N N 79 125.033 125.033 126.439 -1.406 25564 5902 1 11 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.103 0.488 25564 5903 1 11 . 1 1 79 79 ILE C C 79 173.827 173.827 174.658 -0.831 25564 5904 1 11 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.567 2.181 25564 5905 1 11 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.836 3.434 25564 5906 1 11 . 1 1 79 79 ILE H H 79 8.974 8.974 8.317 0.657 25564 5907 1 11 . 1 1 80 80 TYR N N 80 122.647 122.647 126.246 -3.599 25564 5908 1 11 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.588 -0.069 25564 5909 1 11 . 1 1 80 80 TYR C C 80 177.072 177.072 174.023 3.049 25564 5910 1 11 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.891 0.510 25564 5911 1 11 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.649 1.251 25564 5912 1 11 . 1 1 80 80 TYR H H 80 9.137 9.137 8.970 0.167 25564 5913 1 11 . 1 1 81 81 ALA N N 81 124.412 124.412 127.332 -2.920 25564 5914 1 11 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.482 1.271 25564 5915 1 11 . 1 1 81 81 ALA C C 81 175.811 175.811 174.747 1.064 25564 5916 1 11 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.621 1.036 25564 5917 1 11 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.574 1.742 25564 5918 1 11 . 1 1 81 81 ALA H H 81 8.764 8.764 8.825 -0.061 25564 5919 1 11 . 1 1 82 82 VAL N N 82 120.278 120.278 124.481 -4.203 25564 5920 1 11 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.728 -0.115 25564 5921 1 11 . 1 1 82 82 VAL C C 82 174.662 174.662 174.206 0.456 25564 5922 1 11 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.947 1.232 25564 5923 1 11 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.570 -0.899 25564 5924 1 11 . 1 1 82 82 VAL H H 82 8.276 8.276 8.568 -0.292 25564 5925 1 11 . 1 1 83 83 GLU N N 83 127.125 127.125 127.528 -0.403 25564 5926 1 11 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.738 -0.201 25564 5927 1 11 . 1 1 83 83 GLU C C 83 175.133 175.133 177.146 -2.013 25564 5928 1 11 . 1 1 83 83 GLU CA C 83 56.000 56.000 55.092 0.908 25564 5929 1 11 . 1 1 83 83 GLU CB C 83 31.716 31.716 30.994 0.722 25564 5930 1 11 . 1 1 83 83 GLU H H 83 8.849 8.849 8.844 0.005 25564 5931 1 11 . 1 1 84 84 GLU N N 84 125.009 125.009 120.250 4.759 25564 5932 1 11 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.962 -0.280 25564 5933 1 11 . 1 1 84 84 GLU C C 84 174.988 174.988 176.997 -2.009 25564 5934 1 11 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.330 0.032 25564 5935 1 11 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.602 -1.880 25564 5936 1 11 . 1 1 84 84 GLU H H 84 8.952 8.952 9.072 -0.120 25564 5937 1 11 . 1 1 85 85 ASN N N 85 119.010 119.010 113.203 5.807 25564 5938 1 11 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.714 -0.008 25564 5939 1 11 . 1 1 85 85 ASN C C 85 174.499 174.499 174.081 0.418 25564 5940 1 11 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.222 0.731 25564 5941 1 11 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.641 -0.611 25564 5942 1 11 . 1 1 85 85 ASN H H 85 8.412 8.412 8.456 -0.044 25564 5943 1 11 . 1 1 86 86 GLN N N 86 119.080 119.080 118.776 0.304 25564 5944 1 11 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.668 -0.064 25564 5945 1 11 . 1 1 86 86 GLN C C 86 174.270 174.270 173.347 0.923 25564 5946 1 11 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.873 0.419 25564 5947 1 11 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.272 0.739 25564 5948 1 11 . 1 1 86 86 GLN H H 86 8.086 8.086 7.481 0.605 25564 5949 1 11 . 1 1 87 87 GLU N N 87 120.589 120.589 118.804 1.785 25564 5950 1 11 . 1 1 87 87 GLU HA H 87 5.214 5.214 5.003 0.211 25564 5951 1 11 . 1 1 87 87 GLU C C 87 176.092 176.092 176.044 0.048 25564 5952 1 11 . 1 1 87 87 GLU CA C 87 54.722 54.722 54.905 -0.183 25564 5953 1 11 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.565 0.150 25564 5954 1 11 . 1 1 87 87 GLU H H 87 8.498 8.498 8.559 -0.061 25564 5955 1 11 . 1 1 88 88 SER N N 88 116.013 116.013 117.887 -1.874 25564 5956 1 11 . 1 1 88 88 SER HA H 88 4.547 4.547 4.545 0.002 25564 5957 1 11 . 1 1 88 88 SER C C 88 175.202 175.202 175.059 0.143 25564 5958 1 11 . 1 1 88 88 SER CA C 88 58.211 58.211 58.386 -0.175 25564 5959 1 11 . 1 1 88 88 SER CB C 88 66.959 66.959 64.500 2.459 25564 5960 1 11 . 1 1 88 88 SER H H 88 8.954 8.954 8.787 0.167 25564 5961 1 11 . 1 1 89 89 THR N N 89 114.798 114.798 114.199 0.599 25564 5962 1 11 . 1 1 89 89 THR HA H 89 4.520 4.520 4.446 0.074 25564 5963 1 11 . 1 1 89 89 THR C C 89 173.754 173.754 173.151 0.603 25564 5964 1 11 . 1 1 89 89 THR CA C 89 61.673 61.673 61.099 0.574 25564 5965 1 11 . 1 1 89 89 THR CB C 89 69.286 69.286 68.253 1.033 25564 5966 1 11 . 1 1 89 89 THR H H 89 8.559 8.559 8.279 0.280 25564 5967 1 11 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.500 -0.345 25564 5968 1 11 . 1 1 90 90 PRO C C 90 177.970 177.970 176.277 1.693 25564 5969 1 11 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.598 1.127 25564 5970 1 11 . 1 1 90 90 PRO CB C 90 32.403 32.403 33.123 -0.720 25564 5971 1 11 . 1 1 91 91 VAL N N 91 120.679 120.679 124.271 -3.592 25564 5972 1 11 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.006 0.271 25564 5973 1 11 . 1 1 91 91 VAL C C 91 173.958 173.958 174.688 -0.730 25564 5974 1 11 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.852 -0.254 25564 5975 1 11 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.147 1.800 25564 5976 1 11 . 1 1 91 91 VAL H H 91 8.189 8.189 8.541 -0.352 25564 5977 1 11 . 1 1 92 92 VAL N N 92 125.593 125.593 128.430 -2.837 25564 5978 1 11 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.799 0.208 25564 5979 1 11 . 1 1 92 92 VAL C C 92 176.045 176.045 175.550 0.495 25564 5980 1 11 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.324 0.037 25564 5981 1 11 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.391 1.743 25564 5982 1 11 . 1 1 92 92 VAL H H 92 8.300 8.300 8.467 -0.167 25564 5983 1 11 . 1 1 93 93 ILE N N 93 127.733 127.733 125.556 2.177 25564 5984 1 11 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.694 -0.278 25564 5985 1 11 . 1 1 93 93 ILE C C 93 174.071 174.071 174.374 -0.303 25564 5986 1 11 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.952 -0.114 25564 5987 1 11 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.974 2.258 25564 5988 1 11 . 1 1 93 93 ILE H H 93 9.471 9.471 9.015 0.456 25564 5989 1 11 . 1 1 94 94 GLN N N 94 123.610 123.610 127.236 -3.626 25564 5990 1 11 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.995 0.546 25564 5991 1 11 . 1 1 94 94 GLN C C 94 175.328 175.328 175.324 0.004 25564 5992 1 11 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.468 0.114 25564 5993 1 11 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.414 1.615 25564 5994 1 11 . 1 1 94 94 GLN H H 94 8.522 8.522 8.670 -0.148 25564 5995 1 11 . 1 1 95 95 GLN N N 95 123.044 123.044 122.687 0.357 25564 5996 1 11 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.616 -0.106 25564 5997 1 11 . 1 1 95 95 GLN C C 95 173.530 173.530 173.826 -0.296 25564 5998 1 11 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.904 0.018 25564 5999 1 11 . 1 1 95 95 GLN CB C 95 32.523 32.523 33.271 -0.748 25564 6000 1 11 . 1 1 95 95 GLN H H 95 8.893 8.893 9.093 -0.200 25564 6001 1 11 . 1 1 96 96 GLU N N 96 128.881 128.881 126.296 2.585 25564 6002 1 11 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.746 0.997 25564 6003 1 11 . 1 1 96 96 GLU C C 96 178.926 178.926 176.761 2.165 25564 6004 1 11 . 1 1 96 96 GLU CA C 96 54.819 54.819 54.932 -0.113 25564 6005 1 11 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.600 -0.075 25564 6006 1 11 . 1 1 96 96 GLU H H 96 8.913 8.913 8.755 0.158 25564 6007 1 11 . 1 1 97 97 THR N N 97 116.022 116.022 119.841 -3.819 25564 6008 1 11 . 1 1 97 97 THR HA H 97 4.344 4.344 4.405 -0.061 25564 6009 1 11 . 1 1 97 97 THR C C 97 176.660 176.660 175.312 1.348 25564 6010 1 11 . 1 1 97 97 THR CA C 97 61.453 61.453 63.100 -1.647 25564 6011 1 11 . 1 1 97 97 THR CB C 97 69.742 69.742 69.693 0.049 25564 6012 1 11 . 1 1 97 97 THR H H 97 8.740 8.740 8.837 -0.097 25564 6013 1 11 . 1 1 98 98 THR N N 98 110.068 110.068 119.973 -9.905 25564 6014 1 11 . 1 1 98 98 THR HA H 98 4.270 4.270 4.125 0.145 25564 6015 1 11 . 1 1 98 98 THR C C 98 173.859 173.859 175.458 -1.599 25564 6016 1 11 . 1 1 98 98 THR CA C 98 62.659 62.659 65.162 -2.502 25564 6017 1 11 . 1 1 98 98 THR CB C 98 69.654 69.654 69.058 0.596 25564 6018 1 11 . 1 1 98 98 THR H H 98 7.287 7.287 8.710 -1.423 25564 6019 1 11 . 1 1 99 99 GLY N N 99 103.540 103.540 108.707 -5.167 25564 6020 1 11 . 1 1 99 99 GLY C C 99 174.225 174.225 172.842 1.383 25564 6021 1 11 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.420 0.535 25564 6022 1 11 . 1 1 99 99 GLY H H 99 8.033 8.033 7.227 0.806 25564 6023 1 11 . 1 1 100 100 THR N N 100 114.887 114.887 117.881 -2.994 25564 6024 1 11 . 1 1 100 100 THR HA H 100 4.623 4.623 4.490 0.133 25564 6025 1 11 . 1 1 100 100 THR C C 100 172.336 172.336 173.507 -1.171 25564 6026 1 11 . 1 1 100 100 THR CA C 100 59.775 59.775 61.750 -1.975 25564 6027 1 11 . 1 1 100 100 THR CB C 100 70.644 70.644 68.752 1.891 25564 6028 1 11 . 1 1 100 100 THR H H 100 8.055 8.055 8.214 -0.159 25564 6029 1 11 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.404 0.095 25564 6030 1 11 . 1 1 101 101 PRO C C 101 177.344 177.344 176.038 1.306 25564 6031 1 11 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.281 -0.173 25564 6032 1 11 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.850 0.436 25564 6033 1 11 . 1 1 102 102 ARG N N 102 122.476 122.476 123.410 -0.934 25564 6034 1 11 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.677 -0.363 25564 6035 1 11 . 1 1 102 102 ARG C C 102 176.790 176.790 176.062 0.728 25564 6036 1 11 . 1 1 102 102 ARG CA C 102 56.404 56.404 54.127 2.276 25564 6037 1 11 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.040 0.225 25564 6038 1 11 . 1 1 102 102 ARG H H 102 8.771 8.771 8.284 0.487 25564 6039 1 11 . 1 1 103 103 SER HA H 103 4.523 4.523 4.142 0.381 25564 6040 1 11 . 1 1 103 103 SER CA C 103 58.311 58.311 59.575 -1.264 25564 6041 1 11 . 1 1 103 103 SER CB C 103 64.168 64.168 62.017 2.151 25564 6042 1 11 . 1 1 104 104 ASP N N 104 122.461 122.461 118.694 3.767 25564 6043 1 11 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.710 -0.062 25564 6044 1 11 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.970 0.596 25564 6045 1 11 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.288 0.095 25564 6046 1 11 . 1 1 104 104 ASP H H 104 8.418 8.418 8.465 -0.047 25564 6047 1 11 . 1 1 105 105 GLY N N 105 109.250 109.250 110.533 -1.283 25564 6048 1 11 . 1 1 105 105 GLY C C 105 173.987 173.987 173.318 0.669 25564 6049 1 11 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.190 0.583 25564 6050 1 11 . 1 1 105 105 GLY H H 105 8.390 8.390 7.889 0.501 25564 6051 1 12 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.244 0.379 25564 6052 1 12 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.736 0.200 25564 6053 1 12 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.313 2.958 25564 6054 1 12 . 1 1 7 7 THR HA H 7 4.470 4.470 4.601 -0.131 25564 6055 1 12 . 1 1 7 7 THR CA C 7 61.923 61.923 61.974 -0.051 25564 6056 1 12 . 1 1 7 7 THR CB C 7 70.142 70.142 69.446 0.696 25564 6057 1 12 . 1 1 8 8 THR N N 8 116.706 116.706 120.963 -4.257 25564 6058 1 12 . 1 1 8 8 THR HA H 8 4.371 4.371 4.639 -0.268 25564 6059 1 12 . 1 1 8 8 THR C C 8 173.590 173.590 172.937 0.653 25564 6060 1 12 . 1 1 8 8 THR CA C 8 61.606 61.606 62.576 -0.970 25564 6061 1 12 . 1 1 8 8 THR CB C 8 70.303 70.303 70.593 -0.290 25564 6062 1 12 . 1 1 8 8 THR H H 8 8.238 8.238 8.432 -0.194 25564 6063 1 12 . 1 1 9 9 ALA N N 9 127.030 127.030 128.836 -1.806 25564 6064 1 12 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.709 -0.416 25564 6065 1 12 . 1 1 9 9 ALA C C 9 175.005 175.005 175.415 -0.410 25564 6066 1 12 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.602 1.211 25564 6067 1 12 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.226 -0.796 25564 6068 1 12 . 1 1 9 9 ALA H H 9 8.220 8.220 8.186 0.034 25564 6069 1 12 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.477 -0.148 25564 6070 1 12 . 1 1 10 10 PRO C C 10 175.138 175.138 175.738 -0.600 25564 6071 1 12 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.721 0.076 25564 6072 1 12 . 1 1 10 10 PRO CB C 10 31.837 31.837 33.272 -1.435 25564 6073 1 12 . 1 1 11 11 ASP N N 11 116.244 116.244 119.702 -3.458 25564 6074 1 12 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.821 -0.410 25564 6075 1 12 . 1 1 11 11 ASP C C 11 174.009 174.009 175.558 -1.549 25564 6076 1 12 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.275 0.108 25564 6077 1 12 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.469 -3.640 25564 6078 1 12 . 1 1 11 11 ASP H H 11 9.038 9.038 8.394 0.644 25564 6079 1 12 . 1 1 12 12 ALA N N 12 120.012 120.012 125.147 -5.135 25564 6080 1 12 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.476 -0.009 25564 6081 1 12 . 1 1 12 12 ALA C C 12 175.669 175.669 175.310 0.359 25564 6082 1 12 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.466 -0.226 25564 6083 1 12 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.479 -0.569 25564 6084 1 12 . 1 1 12 12 ALA H H 12 7.944 7.944 7.793 0.151 25564 6085 1 12 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.877 -0.388 25564 6086 1 12 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.860 -0.535 25564 6087 1 12 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.402 0.427 25564 6088 1 12 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.306 0.180 25564 6089 1 12 . 1 1 14 14 PRO C C 14 175.966 175.966 176.277 -0.311 25564 6090 1 12 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.878 0.117 25564 6091 1 12 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.481 0.148 25564 6092 1 12 . 1 1 15 15 ASP N N 15 117.405 117.405 119.915 -2.510 25564 6093 1 12 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.355 0.203 25564 6094 1 12 . 1 1 15 15 ASP C C 15 173.011 173.011 174.844 -1.833 25564 6095 1 12 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.627 0.603 25564 6096 1 12 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.134 1.188 25564 6097 1 12 . 1 1 15 15 ASP H H 15 8.470 8.470 8.475 -0.005 25564 6098 1 12 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.705 0.647 25564 6099 1 12 . 1 1 16 16 PRO C C 16 177.534 177.534 176.715 0.819 25564 6100 1 12 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.383 0.221 25564 6101 1 12 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.747 -1.263 25564 6102 1 12 . 1 1 17 17 THR N N 17 117.955 117.955 118.849 -0.894 25564 6103 1 12 . 1 1 17 17 THR HA H 17 4.563 4.563 4.550 0.013 25564 6104 1 12 . 1 1 17 17 THR C C 17 172.578 172.578 174.079 -1.501 25564 6105 1 12 . 1 1 17 17 THR CA C 17 61.093 61.093 61.476 -0.383 25564 6106 1 12 . 1 1 17 17 THR CB C 17 72.478 72.478 70.187 2.291 25564 6107 1 12 . 1 1 17 17 THR H H 17 9.415 9.415 8.653 0.762 25564 6108 1 12 . 1 1 18 18 VAL N N 18 124.494 124.494 128.618 -4.124 25564 6109 1 12 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.243 0.129 25564 6110 1 12 . 1 1 18 18 VAL C C 18 175.392 175.392 176.034 -0.642 25564 6111 1 12 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.697 0.152 25564 6112 1 12 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.659 0.416 25564 6113 1 12 . 1 1 18 18 VAL H H 18 8.645 8.645 8.784 -0.139 25564 6114 1 12 . 1 1 19 19 ASP N N 19 129.904 129.904 128.535 1.369 25564 6115 1 12 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.579 0.144 25564 6116 1 12 . 1 1 19 19 ASP C C 19 175.427 175.427 175.635 -0.208 25564 6117 1 12 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.624 -0.721 25564 6118 1 12 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.089 2.182 25564 6119 1 12 . 1 1 19 19 ASP H H 19 8.805 8.805 8.680 0.125 25564 6120 1 12 . 1 1 20 20 GLN N N 20 115.835 115.835 118.106 -2.271 25564 6121 1 12 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.657 -0.207 25564 6122 1 12 . 1 1 20 20 GLN C C 20 173.593 173.593 174.052 -0.459 25564 6123 1 12 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.725 1.220 25564 6124 1 12 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.963 -0.974 25564 6125 1 12 . 1 1 20 20 GLN H H 20 7.431 7.431 7.578 -0.147 25564 6126 1 12 . 1 1 21 21 VAL N N 21 122.956 122.956 117.224 5.732 25564 6127 1 12 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.532 0.187 25564 6128 1 12 . 1 1 21 21 VAL C C 21 173.753 173.753 174.221 -0.468 25564 6129 1 12 . 1 1 21 21 VAL CA C 21 61.319 61.319 60.325 0.994 25564 6130 1 12 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.502 1.501 25564 6131 1 12 . 1 1 21 21 VAL H H 21 8.317 8.317 8.412 -0.095 25564 6132 1 12 . 1 1 22 22 ASP N N 22 129.722 129.722 127.166 2.556 25564 6133 1 12 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.179 -0.425 25564 6134 1 12 . 1 1 22 22 ASP C C 22 176.114 176.114 175.933 0.181 25564 6135 1 12 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.194 1.444 25564 6136 1 12 . 1 1 22 22 ASP CB C 22 41.377 41.377 45.113 -3.736 25564 6137 1 12 . 1 1 22 22 ASP H H 22 8.778 8.778 8.325 0.453 25564 6138 1 12 . 1 1 23 23 ASP N N 23 115.970 115.970 117.966 -1.996 25564 6139 1 12 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.399 0.235 25564 6140 1 12 . 1 1 23 23 ASP C C 23 175.820 175.820 176.016 -0.196 25564 6141 1 12 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.049 -0.722 25564 6142 1 12 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.022 -0.116 25564 6143 1 12 . 1 1 23 23 ASP H H 23 8.049 8.049 8.673 -0.624 25564 6144 1 12 . 1 1 24 24 THR N N 24 97.756 97.756 106.985 -9.229 25564 6145 1 12 . 1 1 24 24 THR HA H 24 4.566 4.566 4.623 -0.057 25564 6146 1 12 . 1 1 24 24 THR C C 24 174.274 174.274 172.974 1.300 25564 6147 1 12 . 1 1 24 24 THR CA C 24 59.595 59.595 59.930 -0.335 25564 6148 1 12 . 1 1 24 24 THR CB C 24 71.670 71.670 68.374 3.296 25564 6149 1 12 . 1 1 24 24 THR H H 24 7.392 7.392 8.073 -0.681 25564 6150 1 12 . 1 1 25 25 SER N N 25 116.249 116.249 114.815 1.434 25564 6151 1 12 . 1 1 25 25 SER HA H 25 5.440 5.440 5.435 0.005 25564 6152 1 12 . 1 1 25 25 SER C C 25 171.891 171.891 172.293 -0.402 25564 6153 1 12 . 1 1 25 25 SER CA C 25 57.670 57.670 57.979 -0.309 25564 6154 1 12 . 1 1 25 25 SER CB C 25 67.439 67.439 66.038 1.401 25564 6155 1 12 . 1 1 25 25 SER H H 25 7.693 7.693 7.324 0.369 25564 6156 1 12 . 1 1 26 26 ILE N N 26 118.594 118.594 122.863 -4.269 25564 6157 1 12 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.805 -0.391 25564 6158 1 12 . 1 1 26 26 ILE C C 26 174.020 174.020 173.712 0.308 25564 6159 1 12 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.468 0.666 25564 6160 1 12 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.949 2.139 25564 6161 1 12 . 1 1 26 26 ILE H H 26 8.141 8.141 8.587 -0.446 25564 6162 1 12 . 1 1 27 27 VAL N N 27 126.778 126.778 126.817 -0.039 25564 6163 1 12 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.191 -0.218 25564 6164 1 12 . 1 1 27 27 VAL C C 27 175.692 175.692 174.800 0.892 25564 6165 1 12 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.688 1.761 25564 6166 1 12 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.099 0.714 25564 6167 1 12 . 1 1 27 27 VAL H H 27 8.642 8.642 8.536 0.106 25564 6168 1 12 . 1 1 28 28 VAL N N 28 127.624 127.624 124.117 3.507 25564 6169 1 12 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.953 -0.093 25564 6170 1 12 . 1 1 28 28 VAL C C 28 173.467 173.467 173.812 -0.345 25564 6171 1 12 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.198 1.256 25564 6172 1 12 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.441 -0.489 25564 6173 1 12 . 1 1 28 28 VAL H H 28 8.656 8.656 8.921 -0.265 25564 6174 1 12 . 1 1 29 29 ARG N N 29 123.905 123.905 125.940 -2.035 25564 6175 1 12 . 1 1 29 29 ARG HA H 29 4.717 4.717 5.010 -0.293 25564 6176 1 12 . 1 1 29 29 ARG C C 29 174.147 174.147 175.283 -1.136 25564 6177 1 12 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.440 0.426 25564 6178 1 12 . 1 1 29 29 ARG CB C 29 34.191 34.191 33.121 1.070 25564 6179 1 12 . 1 1 29 29 ARG H H 29 9.075 9.075 8.482 0.593 25564 6180 1 12 . 1 1 30 30 TRP N N 30 116.284 116.284 124.025 -7.741 25564 6181 1 12 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.104 -0.258 25564 6182 1 12 . 1 1 30 30 TRP C C 30 174.778 174.778 175.665 -0.887 25564 6183 1 12 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.610 2.925 25564 6184 1 12 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.465 -0.167 25564 6185 1 12 . 1 1 30 30 TRP H H 30 7.512 7.512 8.099 -0.587 25564 6186 1 12 . 1 1 31 31 SER HA H 31 4.747 4.747 4.606 0.141 25564 6187 1 12 . 1 1 31 31 SER C C 31 172.773 172.773 174.432 -1.659 25564 6188 1 12 . 1 1 31 31 SER CA C 31 57.875 57.875 57.863 0.012 25564 6189 1 12 . 1 1 31 31 SER CB C 31 64.093 64.093 62.372 1.721 25564 6190 1 12 . 1 1 32 32 ARG N N 32 122.062 122.062 124.797 -2.735 25564 6191 1 12 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.689 0.190 25564 6192 1 12 . 1 1 32 32 ARG C C 32 175.788 175.788 174.802 0.986 25564 6193 1 12 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.034 0.251 25564 6194 1 12 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.912 2.509 25564 6195 1 12 . 1 1 32 32 ARG H H 32 8.337 8.337 7.699 0.638 25564 6196 1 12 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.634 -0.158 25564 6197 1 12 . 1 1 33 33 PRO C C 33 175.739 175.739 176.611 -0.872 25564 6198 1 12 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.806 1.160 25564 6199 1 12 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.761 0.214 25564 6200 1 12 . 1 1 34 34 GLN N N 34 122.510 122.510 120.078 2.432 25564 6201 1 12 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.298 -0.144 25564 6202 1 12 . 1 1 34 34 GLN C C 34 177.396 177.396 175.784 1.612 25564 6203 1 12 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.320 1.183 25564 6204 1 12 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.972 0.674 25564 6205 1 12 . 1 1 34 34 GLN H H 34 10.310 10.310 8.621 1.689 25564 6206 1 12 . 1 1 35 35 ALA N N 35 123.797 123.797 124.448 -0.651 25564 6207 1 12 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.394 0.084 25564 6208 1 12 . 1 1 35 35 ALA C C 35 174.959 174.959 175.485 -0.526 25564 6209 1 12 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.868 -0.001 25564 6210 1 12 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.924 0.246 25564 6211 1 12 . 1 1 35 35 ALA H H 35 8.725 8.725 7.873 0.852 25564 6212 1 12 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.453 0.130 25564 6213 1 12 . 1 1 36 36 PRO C C 36 175.555 175.555 175.675 -0.120 25564 6214 1 12 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.208 -0.206 25564 6215 1 12 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.227 -1.252 25564 6216 1 12 . 1 1 37 37 ILE N N 37 114.656 114.656 118.308 -3.652 25564 6217 1 12 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.659 -0.259 25564 6218 1 12 . 1 1 37 37 ILE C C 37 176.204 176.204 175.674 0.530 25564 6219 1 12 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.876 2.235 25564 6220 1 12 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.469 1.173 25564 6221 1 12 . 1 1 37 37 ILE H H 37 7.946 7.946 7.792 0.154 25564 6222 1 12 . 1 1 38 38 THR N N 38 109.332 109.332 114.918 -5.586 25564 6223 1 12 . 1 1 38 38 THR HA H 38 4.576 4.576 4.668 -0.092 25564 6224 1 12 . 1 1 38 38 THR C C 38 175.325 175.325 175.535 -0.210 25564 6225 1 12 . 1 1 38 38 THR CA C 38 61.858 61.858 62.039 -0.181 25564 6226 1 12 . 1 1 38 38 THR CB C 38 69.971 69.971 70.250 -0.279 25564 6227 1 12 . 1 1 38 38 THR H H 38 9.767 9.767 9.019 0.748 25564 6228 1 12 . 1 1 39 39 GLY N N 39 109.326 109.326 109.292 0.034 25564 6229 1 12 . 1 1 39 39 GLY C C 39 169.390 169.390 171.767 -2.377 25564 6230 1 12 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.921 -0.281 25564 6231 1 12 . 1 1 39 39 GLY H H 39 7.641 7.641 7.924 -0.283 25564 6232 1 12 . 1 1 40 40 TYR N N 40 113.638 113.638 118.100 -4.462 25564 6233 1 12 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.720 -0.368 25564 6234 1 12 . 1 1 40 40 TYR C C 40 174.719 174.719 175.059 -0.340 25564 6235 1 12 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.601 0.388 25564 6236 1 12 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.037 0.282 25564 6237 1 12 . 1 1 40 40 TYR H H 40 8.470 8.470 8.716 -0.246 25564 6238 1 12 . 1 1 41 41 ARG N N 41 125.140 125.140 121.970 3.170 25564 6239 1 12 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.438 -0.156 25564 6240 1 12 . 1 1 41 41 ARG C C 41 173.714 173.714 175.160 -1.446 25564 6241 1 12 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.686 2.083 25564 6242 1 12 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.611 2.090 25564 6243 1 12 . 1 1 41 41 ARG H H 41 9.148 9.148 8.928 0.220 25564 6244 1 12 . 1 1 42 42 ILE N N 42 126.999 126.999 122.063 4.936 25564 6245 1 12 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.094 0.248 25564 6246 1 12 . 1 1 42 42 ILE C C 42 174.706 174.706 175.007 -0.301 25564 6247 1 12 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.862 -2.079 25564 6248 1 12 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.736 -0.342 25564 6249 1 12 . 1 1 42 42 ILE H H 42 9.237 9.237 8.794 0.443 25564 6250 1 12 . 1 1 43 43 VAL N N 43 126.775 126.775 129.060 -2.285 25564 6251 1 12 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.935 0.413 25564 6252 1 12 . 1 1 43 43 VAL C C 43 175.795 175.795 175.473 0.322 25564 6253 1 12 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.091 -0.487 25564 6254 1 12 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.904 2.275 25564 6255 1 12 . 1 1 43 43 VAL H H 43 9.369 9.369 9.056 0.313 25564 6256 1 12 . 1 1 44 44 TYR N N 44 122.788 122.788 125.976 -3.188 25564 6257 1 12 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.007 0.237 25564 6258 1 12 . 1 1 44 44 TYR C C 44 174.353 174.353 174.888 -0.535 25564 6259 1 12 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.504 0.906 25564 6260 1 12 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.102 3.248 25564 6261 1 12 . 1 1 44 44 TYR H H 44 9.253 9.253 8.816 0.437 25564 6262 1 12 . 1 1 45 45 SER N N 45 114.339 114.339 116.226 -1.887 25564 6263 1 12 . 1 1 45 45 SER HA H 45 5.208 5.208 4.987 0.221 25564 6264 1 12 . 1 1 45 45 SER C C 45 171.693 171.693 172.021 -0.328 25564 6265 1 12 . 1 1 45 45 SER CA C 45 55.870 55.870 54.984 0.886 25564 6266 1 12 . 1 1 45 45 SER CB C 45 65.646 65.646 65.189 0.457 25564 6267 1 12 . 1 1 45 45 SER H H 45 8.797 8.797 9.177 -0.380 25564 6268 1 12 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.798 -0.412 25564 6269 1 12 . 1 1 46 46 PRO C C 46 177.666 177.666 177.736 -0.070 25564 6270 1 12 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.834 0.858 25564 6271 1 12 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.873 0.144 25564 6272 1 12 . 1 1 47 47 SER N N 47 118.732 118.732 120.042 -1.310 25564 6273 1 12 . 1 1 47 47 SER HA H 47 4.069 4.069 4.219 -0.150 25564 6274 1 12 . 1 1 47 47 SER C C 47 175.055 175.055 175.142 -0.087 25564 6275 1 12 . 1 1 47 47 SER CA C 47 60.992 60.992 60.799 0.193 25564 6276 1 12 . 1 1 47 47 SER CB C 47 63.541 63.541 63.313 0.228 25564 6277 1 12 . 1 1 47 47 SER H H 47 8.648 8.648 8.743 -0.095 25564 6278 1 12 . 1 1 48 48 VAL N N 48 117.213 117.213 115.434 1.779 25564 6279 1 12 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.423 -0.341 25564 6280 1 12 . 1 1 48 48 VAL C C 48 175.456 175.456 174.800 0.656 25564 6281 1 12 . 1 1 48 48 VAL CA C 48 62.987 62.987 60.500 2.487 25564 6282 1 12 . 1 1 48 48 VAL CB C 48 32.869 32.869 31.889 0.980 25564 6283 1 12 . 1 1 48 48 VAL H H 48 7.640 7.640 7.434 0.206 25564 6284 1 12 . 1 1 49 49 GLU N N 49 119.528 119.528 119.175 0.353 25564 6285 1 12 . 1 1 49 49 GLU HA H 49 4.148 4.148 3.885 0.263 25564 6286 1 12 . 1 1 49 49 GLU C C 49 176.081 176.081 175.136 0.945 25564 6287 1 12 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.697 0.478 25564 6288 1 12 . 1 1 49 49 GLU CB C 49 30.168 30.168 29.465 0.703 25564 6289 1 12 . 1 1 49 49 GLU H H 49 8.150 8.150 7.603 0.547 25564 6290 1 12 . 1 1 50 50 GLY N N 50 108.013 108.013 112.160 -4.147 25564 6291 1 12 . 1 1 50 50 GLY C C 50 173.617 173.617 173.340 0.277 25564 6292 1 12 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.981 0.429 25564 6293 1 12 . 1 1 50 50 GLY H H 50 8.144 8.144 8.496 -0.352 25564 6294 1 12 . 1 1 51 51 SER N N 51 115.893 115.893 120.952 -5.059 25564 6295 1 12 . 1 1 51 51 SER HA H 51 4.604 4.604 4.681 -0.077 25564 6296 1 12 . 1 1 51 51 SER CA C 51 58.145 58.145 58.572 -0.427 25564 6297 1 12 . 1 1 51 51 SER CB C 51 64.429 64.429 63.907 0.522 25564 6298 1 12 . 1 1 51 51 SER H H 51 8.248 8.248 8.328 -0.080 25564 6299 1 12 . 1 1 52 52 SER HA H 52 4.795 4.795 5.604 -0.809 25564 6300 1 12 . 1 1 52 52 SER C C 52 173.840 173.840 173.817 0.023 25564 6301 1 12 . 1 1 52 52 SER CA C 52 58.319 58.319 57.288 1.031 25564 6302 1 12 . 1 1 52 52 SER CB C 52 65.231 65.231 65.872 -0.641 25564 6303 1 12 . 1 1 53 53 THR N N 53 121.052 121.052 119.144 1.908 25564 6304 1 12 . 1 1 53 53 THR HA H 53 4.294 4.294 4.439 -0.145 25564 6305 1 12 . 1 1 53 53 THR C C 53 171.241 171.241 171.714 -0.473 25564 6306 1 12 . 1 1 53 53 THR CA C 53 62.799 62.799 61.242 1.557 25564 6307 1 12 . 1 1 53 53 THR CB C 53 70.995 70.995 72.244 -1.249 25564 6308 1 12 . 1 1 53 53 THR H H 53 8.344 8.344 8.430 -0.086 25564 6309 1 12 . 1 1 54 54 GLU N N 54 125.190 125.190 125.187 0.003 25564 6310 1 12 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.502 0.112 25564 6311 1 12 . 1 1 54 54 GLU C C 54 175.175 175.175 175.565 -0.390 25564 6312 1 12 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.411 0.101 25564 6313 1 12 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.125 2.546 25564 6314 1 12 . 1 1 54 54 GLU H H 54 8.458 8.458 8.444 0.014 25564 6315 1 12 . 1 1 55 55 LEU N N 55 125.745 125.745 126.214 -0.469 25564 6316 1 12 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.656 0.199 25564 6317 1 12 . 1 1 55 55 LEU C C 55 175.121 175.121 175.288 -0.167 25564 6318 1 12 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.985 0.021 25564 6319 1 12 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.553 1.183 25564 6320 1 12 . 1 1 55 55 LEU H H 55 9.755 9.755 8.715 1.040 25564 6321 1 12 . 1 1 56 56 ASN N N 56 120.517 120.517 120.135 0.382 25564 6322 1 12 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.715 -0.151 25564 6323 1 12 . 1 1 56 56 ASN C C 56 174.180 174.180 174.116 0.064 25564 6324 1 12 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.178 1.097 25564 6325 1 12 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.204 1.247 25564 6326 1 12 . 1 1 56 56 ASN H H 56 8.727 8.727 8.479 0.248 25564 6327 1 12 . 1 1 57 57 LEU N N 57 123.534 123.534 126.201 -2.667 25564 6328 1 12 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.060 0.075 25564 6329 1 12 . 1 1 57 57 LEU C C 57 174.960 174.960 175.070 -0.110 25564 6330 1 12 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.533 0.592 25564 6331 1 12 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.302 0.506 25564 6332 1 12 . 1 1 57 57 LEU H H 57 9.075 9.075 8.710 0.365 25564 6333 1 12 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.627 0.428 25564 6334 1 12 . 1 1 58 58 PRO C C 58 176.897 176.897 178.413 -1.516 25564 6335 1 12 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.435 0.154 25564 6336 1 12 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.331 1.536 25564 6337 1 12 . 1 1 59 59 GLU N N 59 117.522 117.522 120.231 -2.709 25564 6338 1 12 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.124 -0.143 25564 6339 1 12 . 1 1 59 59 GLU C C 59 175.246 175.246 176.523 -1.277 25564 6340 1 12 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.552 -0.647 25564 6341 1 12 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.794 0.130 25564 6342 1 12 . 1 1 59 59 GLU H H 59 8.905 8.905 8.602 0.303 25564 6343 1 12 . 1 1 60 60 THR N N 60 106.153 106.153 112.909 -6.756 25564 6344 1 12 . 1 1 60 60 THR HA H 60 4.155 4.155 4.436 -0.281 25564 6345 1 12 . 1 1 60 60 THR C C 60 175.087 175.087 173.399 1.688 25564 6346 1 12 . 1 1 60 60 THR CA C 60 61.646 61.646 60.723 0.923 25564 6347 1 12 . 1 1 60 60 THR CB C 60 69.638 69.638 68.085 1.553 25564 6348 1 12 . 1 1 60 60 THR H H 60 7.056 7.056 7.938 -0.882 25564 6349 1 12 . 1 1 61 61 ALA N N 61 125.590 125.590 124.707 0.883 25564 6350 1 12 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.382 -0.032 25564 6351 1 12 . 1 1 61 61 ALA C C 61 176.988 176.988 175.896 1.092 25564 6352 1 12 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.585 1.885 25564 6353 1 12 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.494 0.730 25564 6354 1 12 . 1 1 61 61 ALA H H 61 7.808 7.808 7.975 -0.167 25564 6355 1 12 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.660 0.003 25564 6356 1 12 . 1 1 62 62 ASN C C 62 171.666 171.666 172.394 -0.728 25564 6357 1 12 . 1 1 62 62 ASN CA C 62 52.178 52.178 51.975 0.203 25564 6358 1 12 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.906 -0.230 25564 6359 1 12 . 1 1 63 63 SER N N 63 109.802 109.802 114.019 -4.217 25564 6360 1 12 . 1 1 63 63 SER HA H 63 4.341 4.341 4.518 -0.177 25564 6361 1 12 . 1 1 63 63 SER C C 63 172.378 172.378 172.639 -0.261 25564 6362 1 12 . 1 1 63 63 SER CA C 63 56.541 56.541 57.110 -0.569 25564 6363 1 12 . 1 1 63 63 SER CB C 63 65.498 65.498 65.519 -0.021 25564 6364 1 12 . 1 1 63 63 SER H H 63 6.764 6.764 6.747 0.017 25564 6365 1 12 . 1 1 64 64 VAL N N 64 117.873 117.873 122.745 -4.872 25564 6366 1 12 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.473 -0.033 25564 6367 1 12 . 1 1 64 64 VAL C C 64 171.395 171.395 174.236 -2.841 25564 6368 1 12 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.522 1.222 25564 6369 1 12 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.283 -0.192 25564 6370 1 12 . 1 1 64 64 VAL H H 64 8.793 8.793 8.749 0.044 25564 6371 1 12 . 1 1 65 65 THR N N 65 123.328 123.328 125.664 -2.336 25564 6372 1 12 . 1 1 65 65 THR HA H 65 4.703 4.703 4.545 0.158 25564 6373 1 12 . 1 1 65 65 THR C C 65 173.608 173.608 174.145 -0.537 25564 6374 1 12 . 1 1 65 65 THR CA C 65 62.094 62.094 62.407 -0.313 25564 6375 1 12 . 1 1 65 65 THR CB C 65 69.754 69.754 68.290 1.464 25564 6376 1 12 . 1 1 65 65 THR H H 65 8.377 8.377 8.613 -0.236 25564 6377 1 12 . 1 1 66 66 LEU N N 66 130.029 130.029 126.854 3.175 25564 6378 1 12 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.262 0.089 25564 6379 1 12 . 1 1 66 66 LEU C C 66 174.738 174.738 176.356 -1.618 25564 6380 1 12 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.597 -1.039 25564 6381 1 12 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.821 -0.615 25564 6382 1 12 . 1 1 66 66 LEU H H 66 9.232 9.232 8.640 0.592 25564 6383 1 12 . 1 1 67 67 SER N N 67 117.107 117.107 114.696 2.411 25564 6384 1 12 . 1 1 67 67 SER HA H 67 4.936 4.936 5.199 -0.263 25564 6385 1 12 . 1 1 67 67 SER C C 67 172.509 172.509 174.084 -1.575 25564 6386 1 12 . 1 1 67 67 SER CA C 67 57.340 57.340 56.838 0.502 25564 6387 1 12 . 1 1 67 67 SER CB C 67 66.115 66.115 66.692 -0.577 25564 6388 1 12 . 1 1 67 67 SER H H 67 8.174 8.174 8.324 -0.150 25564 6389 1 12 . 1 1 68 68 ASP N N 68 116.924 116.924 118.592 -1.668 25564 6390 1 12 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.221 0.133 25564 6391 1 12 . 1 1 68 68 ASP C C 68 175.654 175.654 175.063 0.591 25564 6392 1 12 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.457 0.145 25564 6393 1 12 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.359 -0.645 25564 6394 1 12 . 1 1 68 68 ASP H H 68 9.003 9.003 8.490 0.513 25564 6395 1 12 . 1 1 69 69 LEU N N 69 116.713 116.713 116.445 0.268 25564 6396 1 12 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.188 0.148 25564 6397 1 12 . 1 1 69 69 LEU C C 69 175.793 175.793 176.966 -1.173 25564 6398 1 12 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.456 -1.909 25564 6399 1 12 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.273 -1.239 25564 6400 1 12 . 1 1 69 69 LEU H H 69 8.605 8.605 7.480 1.125 25564 6401 1 12 . 1 1 70 70 GLN N N 70 118.301 118.301 118.949 -0.648 25564 6402 1 12 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.755 0.011 25564 6403 1 12 . 1 1 70 70 GLN C C 70 174.178 174.178 173.922 0.256 25564 6404 1 12 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.371 0.577 25564 6405 1 12 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.509 -0.883 25564 6406 1 12 . 1 1 70 70 GLN H H 70 8.288 8.288 8.483 -0.195 25564 6407 1 12 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.275 0.977 25564 6408 1 12 . 1 1 71 71 PRO C C 71 177.837 177.837 177.448 0.389 25564 6409 1 12 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.919 -0.821 25564 6410 1 12 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.842 1.551 25564 6411 1 12 . 1 1 72 72 GLY N N 72 111.077 111.077 111.587 -0.510 25564 6412 1 12 . 1 1 72 72 GLY C C 72 174.621 174.621 173.417 1.204 25564 6413 1 12 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.208 2.018 25564 6414 1 12 . 1 1 72 72 GLY H H 72 7.348 7.348 8.615 -1.267 25564 6415 1 12 . 1 1 73 73 VAL N N 73 120.434 120.434 118.917 1.517 25564 6416 1 12 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.399 -0.287 25564 6417 1 12 . 1 1 73 73 VAL C C 73 173.963 173.963 174.662 -0.699 25564 6418 1 12 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.496 1.198 25564 6419 1 12 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.806 -0.383 25564 6420 1 12 . 1 1 73 73 VAL H H 73 7.670 7.670 8.359 -0.689 25564 6421 1 12 . 1 1 74 74 GLN N N 74 123.606 123.606 123.765 -0.159 25564 6422 1 12 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.478 -0.271 25564 6423 1 12 . 1 1 74 74 GLN C C 74 174.283 174.283 174.355 -0.072 25564 6424 1 12 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.662 0.843 25564 6425 1 12 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.371 1.104 25564 6426 1 12 . 1 1 74 74 GLN H H 74 8.263 8.263 8.684 -0.421 25564 6427 1 12 . 1 1 75 75 TYR N N 75 127.153 127.153 126.924 0.229 25564 6428 1 12 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.815 -0.075 25564 6429 1 12 . 1 1 75 75 TYR C C 75 174.412 174.412 174.461 -0.049 25564 6430 1 12 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.160 2.023 25564 6431 1 12 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.284 -0.403 25564 6432 1 12 . 1 1 75 75 TYR H H 75 8.916 8.916 9.099 -0.183 25564 6433 1 12 . 1 1 76 76 ASN N N 76 120.363 120.363 123.864 -3.501 25564 6434 1 12 . 1 1 76 76 ASN HA H 76 5.193 5.193 4.963 0.230 25564 6435 1 12 . 1 1 76 76 ASN C C 76 174.903 174.903 174.346 0.557 25564 6436 1 12 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.802 0.037 25564 6437 1 12 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.038 1.301 25564 6438 1 12 . 1 1 76 76 ASN H H 76 9.014 9.014 8.870 0.144 25564 6439 1 12 . 1 1 77 77 ILE N N 77 127.376 127.376 127.407 -0.031 25564 6440 1 12 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.412 0.236 25564 6441 1 12 . 1 1 77 77 ILE C C 77 173.510 173.510 175.110 -1.600 25564 6442 1 12 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.153 0.203 25564 6443 1 12 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.397 2.514 25564 6444 1 12 . 1 1 77 77 ILE H H 77 9.466 9.466 8.970 0.496 25564 6445 1 12 . 1 1 78 78 THR N N 78 124.282 124.282 126.443 -2.161 25564 6446 1 12 . 1 1 78 78 THR HA H 78 5.117 5.117 5.453 -0.336 25564 6447 1 12 . 1 1 78 78 THR C C 78 173.140 173.140 173.767 -0.627 25564 6448 1 12 . 1 1 78 78 THR CA C 78 61.961 61.961 61.182 0.779 25564 6449 1 12 . 1 1 78 78 THR CB C 78 70.244 70.244 69.686 0.558 25564 6450 1 12 . 1 1 78 78 THR H H 78 9.535 9.535 8.776 0.759 25564 6451 1 12 . 1 1 79 79 ILE N N 79 125.033 125.033 125.710 -0.677 25564 6452 1 12 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.343 0.248 25564 6453 1 12 . 1 1 79 79 ILE C C 79 173.827 173.827 174.793 -0.966 25564 6454 1 12 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.352 2.396 25564 6455 1 12 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.737 2.533 25564 6456 1 12 . 1 1 79 79 ILE H H 79 8.974 8.974 8.298 0.676 25564 6457 1 12 . 1 1 80 80 TYR N N 80 122.647 122.647 123.365 -0.718 25564 6458 1 12 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.592 -0.073 25564 6459 1 12 . 1 1 80 80 TYR C C 80 177.072 177.072 174.087 2.985 25564 6460 1 12 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.939 0.462 25564 6461 1 12 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.190 0.710 25564 6462 1 12 . 1 1 80 80 TYR H H 80 9.137 9.137 8.823 0.314 25564 6463 1 12 . 1 1 81 81 ALA N N 81 124.412 124.412 127.655 -3.243 25564 6464 1 12 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.223 1.530 25564 6465 1 12 . 1 1 81 81 ALA C C 81 175.811 175.811 175.233 0.578 25564 6466 1 12 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.989 0.668 25564 6467 1 12 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.899 2.417 25564 6468 1 12 . 1 1 81 81 ALA H H 81 8.764 8.764 8.794 -0.030 25564 6469 1 12 . 1 1 82 82 VAL N N 82 120.278 120.278 125.917 -5.639 25564 6470 1 12 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.361 0.252 25564 6471 1 12 . 1 1 82 82 VAL C C 82 174.662 174.662 174.163 0.499 25564 6472 1 12 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.457 0.722 25564 6473 1 12 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.071 -0.400 25564 6474 1 12 . 1 1 82 82 VAL H H 82 8.276 8.276 8.444 -0.168 25564 6475 1 12 . 1 1 83 83 GLU N N 83 127.125 127.125 127.642 -0.517 25564 6476 1 12 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.685 -0.148 25564 6477 1 12 . 1 1 83 83 GLU C C 83 175.133 175.133 175.635 -0.502 25564 6478 1 12 . 1 1 83 83 GLU CA C 83 56.000 56.000 55.008 0.993 25564 6479 1 12 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.309 0.407 25564 6480 1 12 . 1 1 83 83 GLU H H 83 8.849 8.849 8.665 0.183 25564 6481 1 12 . 1 1 84 84 GLU N N 84 125.009 125.009 119.764 5.245 25564 6482 1 12 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.981 -0.299 25564 6483 1 12 . 1 1 84 84 GLU C C 84 174.988 174.988 177.385 -2.397 25564 6484 1 12 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.497 -0.135 25564 6485 1 12 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.713 -1.991 25564 6486 1 12 . 1 1 84 84 GLU H H 84 8.952 8.952 8.814 0.138 25564 6487 1 12 . 1 1 85 85 ASN N N 85 119.010 119.010 113.984 5.026 25564 6488 1 12 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.733 -0.027 25564 6489 1 12 . 1 1 85 85 ASN C C 85 174.499 174.499 174.329 0.170 25564 6490 1 12 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.803 0.150 25564 6491 1 12 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.626 -0.596 25564 6492 1 12 . 1 1 85 85 ASN H H 85 8.412 8.412 8.407 0.005 25564 6493 1 12 . 1 1 86 86 GLN N N 86 119.080 119.080 118.602 0.478 25564 6494 1 12 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.695 -0.091 25564 6495 1 12 . 1 1 86 86 GLN C C 86 174.270 174.270 173.747 0.523 25564 6496 1 12 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.523 0.769 25564 6497 1 12 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.632 -0.621 25564 6498 1 12 . 1 1 86 86 GLN H H 86 8.086 8.086 7.702 0.384 25564 6499 1 12 . 1 1 87 87 GLU N N 87 120.589 120.589 119.474 1.115 25564 6500 1 12 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.681 0.533 25564 6501 1 12 . 1 1 87 87 GLU C C 87 176.092 176.092 175.720 0.372 25564 6502 1 12 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.303 -0.581 25564 6503 1 12 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.407 1.308 25564 6504 1 12 . 1 1 87 87 GLU H H 87 8.498 8.498 8.574 -0.076 25564 6505 1 12 . 1 1 88 88 SER N N 88 116.013 116.013 120.467 -4.454 25564 6506 1 12 . 1 1 88 88 SER HA H 88 4.547 4.547 4.529 0.018 25564 6507 1 12 . 1 1 88 88 SER C C 88 175.202 175.202 175.537 -0.335 25564 6508 1 12 . 1 1 88 88 SER CA C 88 58.211 58.211 58.748 -0.537 25564 6509 1 12 . 1 1 88 88 SER CB C 88 66.959 66.959 64.466 2.493 25564 6510 1 12 . 1 1 88 88 SER H H 88 8.954 8.954 8.732 0.222 25564 6511 1 12 . 1 1 89 89 THR N N 89 114.798 114.798 114.962 -0.164 25564 6512 1 12 . 1 1 89 89 THR HA H 89 4.520 4.520 4.328 0.192 25564 6513 1 12 . 1 1 89 89 THR C C 89 173.754 173.754 173.179 0.575 25564 6514 1 12 . 1 1 89 89 THR CA C 89 61.673 61.673 61.233 0.440 25564 6515 1 12 . 1 1 89 89 THR CB C 89 69.286 69.286 68.192 1.094 25564 6516 1 12 . 1 1 89 89 THR H H 89 8.559 8.559 8.418 0.141 25564 6517 1 12 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.599 -0.444 25564 6518 1 12 . 1 1 90 90 PRO C C 90 177.970 177.970 176.160 1.810 25564 6519 1 12 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.645 1.079 25564 6520 1 12 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.804 -0.401 25564 6521 1 12 . 1 1 91 91 VAL N N 91 120.679 120.679 124.654 -3.975 25564 6522 1 12 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.985 0.292 25564 6523 1 12 . 1 1 91 91 VAL C C 91 173.958 173.958 174.911 -0.953 25564 6524 1 12 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.509 -0.911 25564 6525 1 12 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.597 1.350 25564 6526 1 12 . 1 1 91 91 VAL H H 91 8.189 8.189 8.550 -0.361 25564 6527 1 12 . 1 1 92 92 VAL N N 92 125.593 125.593 128.474 -2.881 25564 6528 1 12 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.595 0.412 25564 6529 1 12 . 1 1 92 92 VAL C C 92 176.045 176.045 175.426 0.619 25564 6530 1 12 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.401 -0.040 25564 6531 1 12 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.279 1.855 25564 6532 1 12 . 1 1 92 92 VAL H H 92 8.300 8.300 8.416 -0.116 25564 6533 1 12 . 1 1 93 93 ILE N N 93 127.733 127.733 126.197 1.536 25564 6534 1 12 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.660 -0.244 25564 6535 1 12 . 1 1 93 93 ILE C C 93 174.071 174.071 174.514 -0.443 25564 6536 1 12 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.783 0.055 25564 6537 1 12 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.780 2.452 25564 6538 1 12 . 1 1 93 93 ILE H H 93 9.471 9.471 9.049 0.422 25564 6539 1 12 . 1 1 94 94 GLN N N 94 123.610 123.610 127.368 -3.758 25564 6540 1 12 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.062 0.479 25564 6541 1 12 . 1 1 94 94 GLN C C 94 175.328 175.328 175.157 0.171 25564 6542 1 12 . 1 1 94 94 GLN CA C 94 54.582 54.582 53.779 0.803 25564 6543 1 12 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.153 1.876 25564 6544 1 12 . 1 1 94 94 GLN H H 94 8.522 8.522 8.616 -0.094 25564 6545 1 12 . 1 1 95 95 GLN N N 95 123.044 123.044 122.327 0.717 25564 6546 1 12 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.742 -0.232 25564 6547 1 12 . 1 1 95 95 GLN C C 95 173.530 173.530 174.257 -0.727 25564 6548 1 12 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.618 0.304 25564 6549 1 12 . 1 1 95 95 GLN CB C 95 32.523 32.523 33.475 -0.952 25564 6550 1 12 . 1 1 95 95 GLN H H 95 8.893 8.893 9.004 -0.111 25564 6551 1 12 . 1 1 96 96 GLU N N 96 128.881 128.881 123.698 5.183 25564 6552 1 12 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.947 0.796 25564 6553 1 12 . 1 1 96 96 GLU C C 96 178.926 178.926 176.883 2.043 25564 6554 1 12 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.828 -1.009 25564 6555 1 12 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.067 0.458 25564 6556 1 12 . 1 1 96 96 GLU H H 96 8.913 8.913 8.696 0.217 25564 6557 1 12 . 1 1 97 97 THR N N 97 116.022 116.022 116.131 -0.109 25564 6558 1 12 . 1 1 97 97 THR HA H 97 4.344 4.344 4.614 -0.270 25564 6559 1 12 . 1 1 97 97 THR C C 97 176.660 176.660 175.672 0.988 25564 6560 1 12 . 1 1 97 97 THR CA C 97 61.453 61.453 62.292 -0.839 25564 6561 1 12 . 1 1 97 97 THR CB C 97 69.742 69.742 69.396 0.346 25564 6562 1 12 . 1 1 97 97 THR H H 97 8.740 8.740 8.972 -0.232 25564 6563 1 12 . 1 1 98 98 THR N N 98 110.068 110.068 121.546 -11.478 25564 6564 1 12 . 1 1 98 98 THR HA H 98 4.270 4.270 4.112 0.158 25564 6565 1 12 . 1 1 98 98 THR C C 98 173.859 173.859 174.401 -0.542 25564 6566 1 12 . 1 1 98 98 THR CA C 98 62.659 62.659 64.584 -1.925 25564 6567 1 12 . 1 1 98 98 THR CB C 98 69.654 69.654 69.079 0.575 25564 6568 1 12 . 1 1 98 98 THR H H 98 7.287 7.287 8.856 -1.569 25564 6569 1 12 . 1 1 99 99 GLY N N 99 103.540 103.540 109.095 -5.555 25564 6570 1 12 . 1 1 99 99 GLY C C 99 174.225 174.225 172.967 1.258 25564 6571 1 12 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.240 0.715 25564 6572 1 12 . 1 1 99 99 GLY H H 99 8.033 8.033 7.533 0.500 25564 6573 1 12 . 1 1 100 100 THR N N 100 114.887 114.887 116.181 -1.294 25564 6574 1 12 . 1 1 100 100 THR HA H 100 4.623 4.623 4.762 -0.139 25564 6575 1 12 . 1 1 100 100 THR C C 100 172.336 172.336 174.349 -2.013 25564 6576 1 12 . 1 1 100 100 THR CA C 100 59.775 59.775 60.894 -1.119 25564 6577 1 12 . 1 1 100 100 THR CB C 100 70.644 70.644 68.900 1.744 25564 6578 1 12 . 1 1 100 100 THR H H 100 8.055 8.055 8.194 -0.139 25564 6579 1 12 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.286 0.213 25564 6580 1 12 . 1 1 101 101 PRO C C 101 177.344 177.344 176.189 1.155 25564 6581 1 12 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.491 -0.383 25564 6582 1 12 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.998 0.288 25564 6583 1 12 . 1 1 102 102 ARG N N 102 122.476 122.476 117.407 5.069 25564 6584 1 12 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.067 0.247 25564 6585 1 12 . 1 1 102 102 ARG C C 102 176.790 176.790 175.805 0.985 25564 6586 1 12 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.201 0.203 25564 6587 1 12 . 1 1 102 102 ARG CB C 102 31.265 31.265 29.661 1.604 25564 6588 1 12 . 1 1 102 102 ARG H H 102 8.771 8.771 8.297 0.474 25564 6589 1 12 . 1 1 103 103 SER HA H 103 4.523 4.523 4.523 -0.000 25564 6590 1 12 . 1 1 103 103 SER CA C 103 58.311 58.311 58.389 -0.077 25564 6591 1 12 . 1 1 103 103 SER CB C 103 64.168 64.168 62.869 1.299 25564 6592 1 12 . 1 1 104 104 ASP N N 104 122.461 122.461 121.194 1.267 25564 6593 1 12 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.605 0.043 25564 6594 1 12 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.729 -0.163 25564 6595 1 12 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.658 0.725 25564 6596 1 12 . 1 1 104 104 ASP H H 104 8.418 8.418 7.812 0.606 25564 6597 1 12 . 1 1 105 105 GLY N N 105 109.250 109.250 109.708 -0.458 25564 6598 1 12 . 1 1 105 105 GLY C C 105 173.987 173.987 174.371 -0.384 25564 6599 1 12 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.030 0.743 25564 6600 1 12 . 1 1 105 105 GLY H H 105 8.390 8.390 8.562 -0.172 25564 6601 1 13 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.825 -0.202 25564 6602 1 13 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.083 1.853 25564 6603 1 13 . 1 1 3 3 HIS CB C 3 31.271 31.271 29.061 2.210 25564 6604 1 13 . 1 1 7 7 THR HA H 7 4.470 4.470 4.464 0.006 25564 6605 1 13 . 1 1 7 7 THR CA C 7 61.923 61.923 62.907 -0.984 25564 6606 1 13 . 1 1 7 7 THR CB C 7 70.142 70.142 68.242 1.900 25564 6607 1 13 . 1 1 8 8 THR N N 8 116.706 116.706 118.166 -1.460 25564 6608 1 13 . 1 1 8 8 THR HA H 8 4.371 4.371 4.497 -0.126 25564 6609 1 13 . 1 1 8 8 THR C C 8 173.590 173.590 174.125 -0.535 25564 6610 1 13 . 1 1 8 8 THR CA C 8 61.606 61.606 61.383 0.223 25564 6611 1 13 . 1 1 8 8 THR CB C 8 70.303 70.303 69.703 0.600 25564 6612 1 13 . 1 1 8 8 THR H H 8 8.238 8.238 8.006 0.232 25564 6613 1 13 . 1 1 9 9 ALA N N 9 127.030 127.030 125.997 1.033 25564 6614 1 13 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.545 -0.252 25564 6615 1 13 . 1 1 9 9 ALA C C 9 175.005 175.005 175.830 -0.825 25564 6616 1 13 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.262 0.551 25564 6617 1 13 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.393 0.037 25564 6618 1 13 . 1 1 9 9 ALA H H 9 8.220 8.220 8.026 0.194 25564 6619 1 13 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.555 -0.226 25564 6620 1 13 . 1 1 10 10 PRO C C 10 175.138 175.138 175.474 -0.336 25564 6621 1 13 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.163 0.634 25564 6622 1 13 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.679 -0.842 25564 6623 1 13 . 1 1 11 11 ASP N N 11 116.244 116.244 118.726 -2.482 25564 6624 1 13 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.782 -0.372 25564 6625 1 13 . 1 1 11 11 ASP C C 11 174.009 174.009 175.019 -1.010 25564 6626 1 13 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.291 0.092 25564 6627 1 13 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.488 -3.659 25564 6628 1 13 . 1 1 11 11 ASP H H 11 9.038 9.038 8.273 0.765 25564 6629 1 13 . 1 1 12 12 ALA N N 12 120.012 120.012 123.309 -3.297 25564 6630 1 13 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.595 -0.128 25564 6631 1 13 . 1 1 12 12 ALA C C 12 175.669 175.669 175.037 0.632 25564 6632 1 13 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.860 0.380 25564 6633 1 13 . 1 1 12 12 ALA CB C 12 17.910 17.910 19.122 -1.212 25564 6634 1 13 . 1 1 12 12 ALA H H 12 7.944 7.944 8.301 -0.357 25564 6635 1 13 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.967 -0.478 25564 6636 1 13 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.718 -0.393 25564 6637 1 13 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.413 0.416 25564 6638 1 13 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.258 0.228 25564 6639 1 13 . 1 1 14 14 PRO C C 14 175.966 175.966 176.335 -0.369 25564 6640 1 13 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.994 0.001 25564 6641 1 13 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.605 0.024 25564 6642 1 13 . 1 1 15 15 ASP N N 15 117.405 117.405 121.423 -4.018 25564 6643 1 13 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.394 0.164 25564 6644 1 13 . 1 1 15 15 ASP C C 15 173.011 173.011 175.069 -2.058 25564 6645 1 13 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.904 0.326 25564 6646 1 13 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.224 0.098 25564 6647 1 13 . 1 1 15 15 ASP H H 15 8.470 8.470 8.556 -0.086 25564 6648 1 13 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.723 0.629 25564 6649 1 13 . 1 1 16 16 PRO C C 16 177.534 177.534 176.463 1.071 25564 6650 1 13 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.110 0.494 25564 6651 1 13 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.937 -1.452 25564 6652 1 13 . 1 1 17 17 THR N N 17 117.955 117.955 118.122 -0.167 25564 6653 1 13 . 1 1 17 17 THR HA H 17 4.563 4.563 4.564 -0.001 25564 6654 1 13 . 1 1 17 17 THR C C 17 172.578 172.578 174.218 -1.640 25564 6655 1 13 . 1 1 17 17 THR CA C 17 61.093 61.093 61.728 -0.635 25564 6656 1 13 . 1 1 17 17 THR CB C 17 72.478 72.478 70.830 1.648 25564 6657 1 13 . 1 1 17 17 THR H H 17 9.415 9.415 8.599 0.816 25564 6658 1 13 . 1 1 18 18 VAL N N 18 124.494 124.494 128.180 -3.686 25564 6659 1 13 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.055 0.317 25564 6660 1 13 . 1 1 18 18 VAL C C 18 175.392 175.392 175.710 -0.318 25564 6661 1 13 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.277 -0.427 25564 6662 1 13 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.246 -0.172 25564 6663 1 13 . 1 1 18 18 VAL H H 18 8.645 8.645 8.767 -0.122 25564 6664 1 13 . 1 1 19 19 ASP N N 19 129.904 129.904 128.020 1.884 25564 6665 1 13 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.584 0.139 25564 6666 1 13 . 1 1 19 19 ASP C C 19 175.427 175.427 175.530 -0.103 25564 6667 1 13 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.705 -0.802 25564 6668 1 13 . 1 1 19 19 ASP CB C 19 44.271 44.271 41.989 2.282 25564 6669 1 13 . 1 1 19 19 ASP H H 19 8.805 8.805 8.510 0.295 25564 6670 1 13 . 1 1 20 20 GLN N N 20 115.835 115.835 118.413 -2.578 25564 6671 1 13 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.591 -0.141 25564 6672 1 13 . 1 1 20 20 GLN C C 20 173.593 173.593 174.031 -0.438 25564 6673 1 13 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.803 1.142 25564 6674 1 13 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.867 -0.878 25564 6675 1 13 . 1 1 20 20 GLN H H 20 7.431 7.431 7.612 -0.181 25564 6676 1 13 . 1 1 21 21 VAL N N 21 122.956 122.956 122.741 0.215 25564 6677 1 13 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.257 0.462 25564 6678 1 13 . 1 1 21 21 VAL C C 21 173.753 173.753 174.579 -0.826 25564 6679 1 13 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.323 -0.004 25564 6680 1 13 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.403 2.600 25564 6681 1 13 . 1 1 21 21 VAL H H 21 8.317 8.317 8.459 -0.142 25564 6682 1 13 . 1 1 22 22 ASP N N 22 129.722 129.722 127.612 2.110 25564 6683 1 13 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.187 -0.433 25564 6684 1 13 . 1 1 22 22 ASP C C 22 176.114 176.114 176.565 -0.451 25564 6685 1 13 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.212 1.427 25564 6686 1 13 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.032 -2.655 25564 6687 1 13 . 1 1 22 22 ASP H H 22 8.778 8.778 8.562 0.216 25564 6688 1 13 . 1 1 23 23 ASP N N 23 115.970 115.970 117.977 -2.007 25564 6689 1 13 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.425 0.209 25564 6690 1 13 . 1 1 23 23 ASP C C 23 175.820 175.820 176.302 -0.482 25564 6691 1 13 . 1 1 23 23 ASP CA C 23 56.327 56.327 56.884 -0.557 25564 6692 1 13 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.893 0.013 25564 6693 1 13 . 1 1 23 23 ASP H H 23 8.049 8.049 8.692 -0.643 25564 6694 1 13 . 1 1 24 24 THR N N 24 97.756 97.756 108.222 -10.466 25564 6695 1 13 . 1 1 24 24 THR HA H 24 4.566 4.566 4.551 0.015 25564 6696 1 13 . 1 1 24 24 THR C C 24 174.274 174.274 173.007 1.267 25564 6697 1 13 . 1 1 24 24 THR CA C 24 59.595 59.595 60.875 -1.280 25564 6698 1 13 . 1 1 24 24 THR CB C 24 71.670 71.670 68.433 3.237 25564 6699 1 13 . 1 1 24 24 THR H H 24 7.392 7.392 8.125 -0.733 25564 6700 1 13 . 1 1 25 25 SER N N 25 116.249 116.249 114.882 1.367 25564 6701 1 13 . 1 1 25 25 SER HA H 25 5.440 5.440 5.166 0.274 25564 6702 1 13 . 1 1 25 25 SER C C 25 171.891 171.891 172.181 -0.290 25564 6703 1 13 . 1 1 25 25 SER CA C 25 57.670 57.670 57.869 -0.199 25564 6704 1 13 . 1 1 25 25 SER CB C 25 67.439 67.439 65.708 1.731 25564 6705 1 13 . 1 1 25 25 SER H H 25 7.693 7.693 7.244 0.449 25564 6706 1 13 . 1 1 26 26 ILE N N 26 118.594 118.594 122.044 -3.450 25564 6707 1 13 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.835 -0.421 25564 6708 1 13 . 1 1 26 26 ILE C C 26 174.020 174.020 173.877 0.143 25564 6709 1 13 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.508 0.626 25564 6710 1 13 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.962 2.126 25564 6711 1 13 . 1 1 26 26 ILE H H 26 8.141 8.141 8.614 -0.473 25564 6712 1 13 . 1 1 27 27 VAL N N 27 126.778 126.778 124.071 2.707 25564 6713 1 13 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.244 -0.271 25564 6714 1 13 . 1 1 27 27 VAL C C 27 175.692 175.692 175.000 0.692 25564 6715 1 13 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.126 1.323 25564 6716 1 13 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.090 -0.277 25564 6717 1 13 . 1 1 27 27 VAL H H 27 8.642 8.642 8.814 -0.172 25564 6718 1 13 . 1 1 28 28 VAL N N 28 127.624 127.624 123.302 4.322 25564 6719 1 13 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.863 -0.003 25564 6720 1 13 . 1 1 28 28 VAL C C 28 173.467 173.467 173.819 -0.352 25564 6721 1 13 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.481 0.973 25564 6722 1 13 . 1 1 28 28 VAL CB C 28 34.952 34.952 36.071 -1.119 25564 6723 1 13 . 1 1 28 28 VAL H H 28 8.656 8.656 8.929 -0.273 25564 6724 1 13 . 1 1 29 29 ARG N N 29 123.905 123.905 124.814 -0.909 25564 6725 1 13 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.971 -0.254 25564 6726 1 13 . 1 1 29 29 ARG C C 29 174.147 174.147 175.109 -0.962 25564 6727 1 13 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.570 0.296 25564 6728 1 13 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.760 1.431 25564 6729 1 13 . 1 1 29 29 ARG H H 29 9.075 9.075 8.448 0.627 25564 6730 1 13 . 1 1 30 30 TRP N N 30 116.284 116.284 124.015 -7.731 25564 6731 1 13 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.093 -0.247 25564 6732 1 13 . 1 1 30 30 TRP C C 30 174.778 174.778 175.454 -0.676 25564 6733 1 13 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.658 2.877 25564 6734 1 13 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.025 -0.727 25564 6735 1 13 . 1 1 30 30 TRP H H 30 7.512 7.512 7.993 -0.481 25564 6736 1 13 . 1 1 31 31 SER HA H 31 4.747 4.747 4.694 0.053 25564 6737 1 13 . 1 1 31 31 SER C C 31 172.773 172.773 174.326 -1.553 25564 6738 1 13 . 1 1 31 31 SER CA C 31 57.875 57.875 57.719 0.156 25564 6739 1 13 . 1 1 31 31 SER CB C 31 64.093 64.093 62.920 1.173 25564 6740 1 13 . 1 1 32 32 ARG N N 32 122.062 122.062 125.910 -3.848 25564 6741 1 13 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.765 0.114 25564 6742 1 13 . 1 1 32 32 ARG C C 32 175.788 175.788 175.153 0.635 25564 6743 1 13 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.854 -0.569 25564 6744 1 13 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.456 1.964 25564 6745 1 13 . 1 1 32 32 ARG H H 32 8.337 8.337 8.104 0.233 25564 6746 1 13 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.586 -0.110 25564 6747 1 13 . 1 1 33 33 PRO C C 33 175.739 175.739 176.921 -1.182 25564 6748 1 13 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.830 1.136 25564 6749 1 13 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.986 -0.011 25564 6750 1 13 . 1 1 34 34 GLN N N 34 122.510 122.510 119.156 3.354 25564 6751 1 13 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.332 -0.178 25564 6752 1 13 . 1 1 34 34 GLN C C 34 177.396 177.396 175.722 1.674 25564 6753 1 13 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.535 0.968 25564 6754 1 13 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.673 0.973 25564 6755 1 13 . 1 1 34 34 GLN H H 34 10.310 10.310 8.565 1.745 25564 6756 1 13 . 1 1 35 35 ALA N N 35 123.797 123.797 124.200 -0.403 25564 6757 1 13 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.305 0.173 25564 6758 1 13 . 1 1 35 35 ALA C C 35 174.959 174.959 175.453 -0.494 25564 6759 1 13 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.705 0.163 25564 6760 1 13 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.568 0.602 25564 6761 1 13 . 1 1 35 35 ALA H H 35 8.725 8.725 7.689 1.036 25564 6762 1 13 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.481 0.102 25564 6763 1 13 . 1 1 36 36 PRO C C 36 175.555 175.555 175.671 -0.116 25564 6764 1 13 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.205 -0.203 25564 6765 1 13 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.135 -1.160 25564 6766 1 13 . 1 1 37 37 ILE N N 37 114.656 114.656 118.429 -3.773 25564 6767 1 13 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.654 -0.254 25564 6768 1 13 . 1 1 37 37 ILE C C 37 176.204 176.204 175.523 0.681 25564 6769 1 13 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.025 2.086 25564 6770 1 13 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.515 1.127 25564 6771 1 13 . 1 1 37 37 ILE H H 37 7.946 7.946 7.802 0.144 25564 6772 1 13 . 1 1 38 38 THR N N 38 109.332 109.332 115.304 -5.972 25564 6773 1 13 . 1 1 38 38 THR HA H 38 4.576 4.576 4.883 -0.307 25564 6774 1 13 . 1 1 38 38 THR C C 38 175.325 175.325 175.448 -0.123 25564 6775 1 13 . 1 1 38 38 THR CA C 38 61.858 61.858 61.856 0.002 25564 6776 1 13 . 1 1 38 38 THR CB C 38 69.971 69.971 70.253 -0.282 25564 6777 1 13 . 1 1 38 38 THR H H 38 9.767 9.767 8.954 0.813 25564 6778 1 13 . 1 1 39 39 GLY N N 39 109.326 109.326 109.775 -0.449 25564 6779 1 13 . 1 1 39 39 GLY C C 39 169.390 169.390 171.848 -2.458 25564 6780 1 13 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.043 -0.403 25564 6781 1 13 . 1 1 39 39 GLY H H 39 7.641 7.641 7.917 -0.276 25564 6782 1 13 . 1 1 40 40 TYR N N 40 113.638 113.638 118.460 -4.822 25564 6783 1 13 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.704 -0.352 25564 6784 1 13 . 1 1 40 40 TYR C C 40 174.719 174.719 174.986 -0.267 25564 6785 1 13 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.533 0.456 25564 6786 1 13 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.876 0.444 25564 6787 1 13 . 1 1 40 40 TYR H H 40 8.470 8.470 8.747 -0.277 25564 6788 1 13 . 1 1 41 41 ARG N N 41 125.140 125.140 121.894 3.246 25564 6789 1 13 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.376 -0.094 25564 6790 1 13 . 1 1 41 41 ARG C C 41 173.714 173.714 175.052 -1.338 25564 6791 1 13 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.673 2.096 25564 6792 1 13 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.669 2.032 25564 6793 1 13 . 1 1 41 41 ARG H H 41 9.148 9.148 8.943 0.205 25564 6794 1 13 . 1 1 42 42 ILE N N 42 126.999 126.999 121.935 5.064 25564 6795 1 13 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.026 0.316 25564 6796 1 13 . 1 1 42 42 ILE C C 42 174.706 174.706 174.982 -0.276 25564 6797 1 13 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.870 -2.087 25564 6798 1 13 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.699 -0.305 25564 6799 1 13 . 1 1 42 42 ILE H H 42 9.237 9.237 8.847 0.390 25564 6800 1 13 . 1 1 43 43 VAL N N 43 126.775 126.775 128.669 -1.894 25564 6801 1 13 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.962 0.386 25564 6802 1 13 . 1 1 43 43 VAL C C 43 175.795 175.795 175.714 0.081 25564 6803 1 13 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.578 0.026 25564 6804 1 13 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.567 2.612 25564 6805 1 13 . 1 1 43 43 VAL H H 43 9.369 9.369 9.053 0.316 25564 6806 1 13 . 1 1 44 44 TYR N N 44 122.788 122.788 126.127 -3.339 25564 6807 1 13 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.904 0.340 25564 6808 1 13 . 1 1 44 44 TYR C C 44 174.353 174.353 174.918 -0.565 25564 6809 1 13 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.506 0.904 25564 6810 1 13 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.163 3.188 25564 6811 1 13 . 1 1 44 44 TYR H H 44 9.253 9.253 8.854 0.399 25564 6812 1 13 . 1 1 45 45 SER N N 45 114.339 114.339 116.636 -2.297 25564 6813 1 13 . 1 1 45 45 SER HA H 45 5.208 5.208 4.978 0.230 25564 6814 1 13 . 1 1 45 45 SER C C 45 171.693 171.693 172.097 -0.404 25564 6815 1 13 . 1 1 45 45 SER CA C 45 55.870 55.870 55.016 0.854 25564 6816 1 13 . 1 1 45 45 SER CB C 45 65.646 65.646 64.976 0.670 25564 6817 1 13 . 1 1 45 45 SER H H 45 8.797 8.797 9.154 -0.357 25564 6818 1 13 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.825 -0.439 25564 6819 1 13 . 1 1 46 46 PRO C C 46 177.666 177.666 177.380 0.286 25564 6820 1 13 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.158 0.534 25564 6821 1 13 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.524 0.492 25564 6822 1 13 . 1 1 47 47 SER N N 47 118.732 118.732 120.882 -2.150 25564 6823 1 13 . 1 1 47 47 SER HA H 47 4.069 4.069 4.254 -0.185 25564 6824 1 13 . 1 1 47 47 SER C C 47 175.055 175.055 175.131 -0.076 25564 6825 1 13 . 1 1 47 47 SER CA C 47 60.992 60.992 60.290 0.702 25564 6826 1 13 . 1 1 47 47 SER CB C 47 63.541 63.541 63.292 0.249 25564 6827 1 13 . 1 1 47 47 SER H H 47 8.648 8.648 8.385 0.263 25564 6828 1 13 . 1 1 48 48 VAL N N 48 117.213 117.213 115.035 2.178 25564 6829 1 13 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.182 -0.100 25564 6830 1 13 . 1 1 48 48 VAL C C 48 175.456 175.456 175.002 0.454 25564 6831 1 13 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.022 0.965 25564 6832 1 13 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.437 -0.568 25564 6833 1 13 . 1 1 48 48 VAL H H 48 7.640 7.640 7.568 0.072 25564 6834 1 13 . 1 1 49 49 GLU N N 49 119.528 119.528 119.852 -0.324 25564 6835 1 13 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.300 -0.152 25564 6836 1 13 . 1 1 49 49 GLU C C 49 176.081 176.081 174.605 1.476 25564 6837 1 13 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.790 0.384 25564 6838 1 13 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.611 -0.443 25564 6839 1 13 . 1 1 49 49 GLU H H 49 8.150 8.150 7.714 0.436 25564 6840 1 13 . 1 1 50 50 GLY N N 50 108.013 108.013 110.447 -2.434 25564 6841 1 13 . 1 1 50 50 GLY C C 50 173.617 173.617 173.029 0.588 25564 6842 1 13 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.652 0.758 25564 6843 1 13 . 1 1 50 50 GLY H H 50 8.144 8.144 8.144 0.000 25564 6844 1 13 . 1 1 51 51 SER N N 51 115.893 115.893 117.618 -1.725 25564 6845 1 13 . 1 1 51 51 SER HA H 51 4.604 4.604 4.661 -0.057 25564 6846 1 13 . 1 1 51 51 SER CA C 51 58.145 58.145 57.782 0.363 25564 6847 1 13 . 1 1 51 51 SER CB C 51 64.429 64.429 63.681 0.748 25564 6848 1 13 . 1 1 51 51 SER H H 51 8.248 8.248 8.630 -0.382 25564 6849 1 13 . 1 1 52 52 SER HA H 52 4.795 4.795 5.344 -0.549 25564 6850 1 13 . 1 1 52 52 SER C C 52 173.840 173.840 173.563 0.277 25564 6851 1 13 . 1 1 52 52 SER CA C 52 58.319 58.319 57.875 0.444 25564 6852 1 13 . 1 1 52 52 SER CB C 52 65.231 65.231 65.345 -0.114 25564 6853 1 13 . 1 1 53 53 THR N N 53 121.052 121.052 119.727 1.325 25564 6854 1 13 . 1 1 53 53 THR HA H 53 4.294 4.294 4.439 -0.145 25564 6855 1 13 . 1 1 53 53 THR C C 53 171.241 171.241 171.674 -0.433 25564 6856 1 13 . 1 1 53 53 THR CA C 53 62.799 62.799 61.217 1.582 25564 6857 1 13 . 1 1 53 53 THR CB C 53 70.995 70.995 72.207 -1.212 25564 6858 1 13 . 1 1 53 53 THR H H 53 8.344 8.344 8.414 -0.070 25564 6859 1 13 . 1 1 54 54 GLU N N 54 125.190 125.190 125.268 -0.078 25564 6860 1 13 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.590 0.024 25564 6861 1 13 . 1 1 54 54 GLU C C 54 175.175 175.175 175.479 -0.304 25564 6862 1 13 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.154 0.358 25564 6863 1 13 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.501 2.170 25564 6864 1 13 . 1 1 54 54 GLU H H 54 8.458 8.458 8.513 -0.055 25564 6865 1 13 . 1 1 55 55 LEU N N 55 125.745 125.745 126.463 -0.718 25564 6866 1 13 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.744 0.111 25564 6867 1 13 . 1 1 55 55 LEU C C 55 175.121 175.121 174.843 0.278 25564 6868 1 13 . 1 1 55 55 LEU CA C 55 54.006 54.006 54.007 -0.001 25564 6869 1 13 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.956 0.780 25564 6870 1 13 . 1 1 55 55 LEU H H 55 9.755 9.755 8.766 0.989 25564 6871 1 13 . 1 1 56 56 ASN N N 56 120.517 120.517 120.807 -0.290 25564 6872 1 13 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.704 -0.140 25564 6873 1 13 . 1 1 56 56 ASN C C 56 174.180 174.180 174.119 0.061 25564 6874 1 13 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.271 1.004 25564 6875 1 13 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.870 1.581 25564 6876 1 13 . 1 1 56 56 ASN H H 56 8.727 8.727 8.528 0.199 25564 6877 1 13 . 1 1 57 57 LEU N N 57 123.534 123.534 126.379 -2.845 25564 6878 1 13 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.043 0.092 25564 6879 1 13 . 1 1 57 57 LEU C C 57 174.960 174.960 175.099 -0.139 25564 6880 1 13 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.571 0.554 25564 6881 1 13 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.070 0.738 25564 6882 1 13 . 1 1 57 57 LEU H H 57 9.075 9.075 8.689 0.386 25564 6883 1 13 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.567 0.488 25564 6884 1 13 . 1 1 58 58 PRO C C 58 176.897 176.897 178.419 -1.522 25564 6885 1 13 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.599 -0.009 25564 6886 1 13 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.146 1.721 25564 6887 1 13 . 1 1 59 59 GLU N N 59 117.522 117.522 121.050 -3.528 25564 6888 1 13 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.136 -0.155 25564 6889 1 13 . 1 1 59 59 GLU C C 59 175.246 175.246 176.911 -1.665 25564 6890 1 13 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.989 -1.084 25564 6891 1 13 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.977 -0.053 25564 6892 1 13 . 1 1 59 59 GLU H H 59 8.905 8.905 8.929 -0.024 25564 6893 1 13 . 1 1 60 60 THR N N 60 106.153 106.153 112.236 -6.083 25564 6894 1 13 . 1 1 60 60 THR HA H 60 4.155 4.155 4.434 -0.279 25564 6895 1 13 . 1 1 60 60 THR C C 60 175.087 175.087 173.372 1.715 25564 6896 1 13 . 1 1 60 60 THR CA C 60 61.646 61.646 60.185 1.461 25564 6897 1 13 . 1 1 60 60 THR CB C 60 69.638 69.638 68.216 1.422 25564 6898 1 13 . 1 1 60 60 THR H H 60 7.056 7.056 7.818 -0.762 25564 6899 1 13 . 1 1 61 61 ALA N N 61 125.590 125.590 123.948 1.642 25564 6900 1 13 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.196 0.154 25564 6901 1 13 . 1 1 61 61 ALA C C 61 176.988 176.988 175.665 1.323 25564 6902 1 13 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.427 1.043 25564 6903 1 13 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.901 1.323 25564 6904 1 13 . 1 1 61 61 ALA H H 61 7.808 7.808 8.425 -0.617 25564 6905 1 13 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.599 0.064 25564 6906 1 13 . 1 1 62 62 ASN C C 62 171.666 171.666 172.565 -0.899 25564 6907 1 13 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.072 0.106 25564 6908 1 13 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.752 -0.076 25564 6909 1 13 . 1 1 63 63 SER N N 63 109.802 109.802 113.473 -3.671 25564 6910 1 13 . 1 1 63 63 SER HA H 63 4.341 4.341 4.425 -0.084 25564 6911 1 13 . 1 1 63 63 SER C C 63 172.378 172.378 172.436 -0.058 25564 6912 1 13 . 1 1 63 63 SER CA C 63 56.541 56.541 57.333 -0.792 25564 6913 1 13 . 1 1 63 63 SER CB C 63 65.498 65.498 65.015 0.483 25564 6914 1 13 . 1 1 63 63 SER H H 63 6.764 6.764 6.685 0.079 25564 6915 1 13 . 1 1 64 64 VAL N N 64 117.873 117.873 121.713 -3.840 25564 6916 1 13 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.495 -0.055 25564 6917 1 13 . 1 1 64 64 VAL C C 64 171.395 171.395 174.417 -3.022 25564 6918 1 13 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.872 0.872 25564 6919 1 13 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.712 -0.621 25564 6920 1 13 . 1 1 64 64 VAL H H 64 8.793 8.793 8.777 0.016 25564 6921 1 13 . 1 1 65 65 THR N N 65 123.328 123.328 124.978 -1.650 25564 6922 1 13 . 1 1 65 65 THR HA H 65 4.703 4.703 4.555 0.148 25564 6923 1 13 . 1 1 65 65 THR C C 65 173.608 173.608 173.910 -0.302 25564 6924 1 13 . 1 1 65 65 THR CA C 65 62.094 62.094 62.104 -0.010 25564 6925 1 13 . 1 1 65 65 THR CB C 65 69.754 69.754 68.755 0.999 25564 6926 1 13 . 1 1 65 65 THR H H 65 8.377 8.377 8.445 -0.068 25564 6927 1 13 . 1 1 66 66 LEU N N 66 130.029 130.029 127.900 2.129 25564 6928 1 13 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.235 0.116 25564 6929 1 13 . 1 1 66 66 LEU C C 66 174.738 174.738 176.041 -1.303 25564 6930 1 13 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.417 -0.859 25564 6931 1 13 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.221 -1.015 25564 6932 1 13 . 1 1 66 66 LEU H H 66 9.232 9.232 8.564 0.668 25564 6933 1 13 . 1 1 67 67 SER N N 67 117.107 117.107 114.597 2.510 25564 6934 1 13 . 1 1 67 67 SER HA H 67 4.936 4.936 4.991 -0.055 25564 6935 1 13 . 1 1 67 67 SER C C 67 172.509 172.509 173.772 -1.263 25564 6936 1 13 . 1 1 67 67 SER CA C 67 57.340 57.340 56.720 0.620 25564 6937 1 13 . 1 1 67 67 SER CB C 67 66.115 66.115 65.822 0.293 25564 6938 1 13 . 1 1 67 67 SER H H 67 8.174 8.174 8.215 -0.041 25564 6939 1 13 . 1 1 68 68 ASP N N 68 116.924 116.924 118.654 -1.730 25564 6940 1 13 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.290 0.064 25564 6941 1 13 . 1 1 68 68 ASP C C 68 175.654 175.654 175.268 0.386 25564 6942 1 13 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.720 -0.118 25564 6943 1 13 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.882 -0.168 25564 6944 1 13 . 1 1 68 68 ASP H H 68 9.003 9.003 8.292 0.711 25564 6945 1 13 . 1 1 69 69 LEU N N 69 116.713 116.713 116.555 0.158 25564 6946 1 13 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.188 0.148 25564 6947 1 13 . 1 1 69 69 LEU C C 69 175.793 175.793 176.881 -1.088 25564 6948 1 13 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.097 -1.550 25564 6949 1 13 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.539 -1.505 25564 6950 1 13 . 1 1 69 69 LEU H H 69 8.605 8.605 6.949 1.656 25564 6951 1 13 . 1 1 70 70 GLN N N 70 118.301 118.301 118.906 -0.605 25564 6952 1 13 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.848 -0.082 25564 6953 1 13 . 1 1 70 70 GLN C C 70 174.178 174.178 173.583 0.595 25564 6954 1 13 . 1 1 70 70 GLN CA C 70 52.948 52.948 51.879 1.069 25564 6955 1 13 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.100 -0.474 25564 6956 1 13 . 1 1 70 70 GLN H H 70 8.288 8.288 8.261 0.027 25564 6957 1 13 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.156 1.096 25564 6958 1 13 . 1 1 71 71 PRO C C 71 177.837 177.837 177.541 0.296 25564 6959 1 13 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.389 -0.291 25564 6960 1 13 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.695 1.698 25564 6961 1 13 . 1 1 72 72 GLY N N 72 111.077 111.077 111.609 -0.532 25564 6962 1 13 . 1 1 72 72 GLY C C 72 174.621 174.621 173.367 1.254 25564 6963 1 13 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.157 2.069 25564 6964 1 13 . 1 1 72 72 GLY H H 72 7.348 7.348 8.571 -1.223 25564 6965 1 13 . 1 1 73 73 VAL N N 73 120.434 120.434 118.687 1.747 25564 6966 1 13 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.248 -0.136 25564 6967 1 13 . 1 1 73 73 VAL C C 73 173.963 173.963 174.053 -0.090 25564 6968 1 13 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.938 0.756 25564 6969 1 13 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.867 -0.444 25564 6970 1 13 . 1 1 73 73 VAL H H 73 7.670 7.670 8.185 -0.515 25564 6971 1 13 . 1 1 74 74 GLN N N 74 123.606 123.606 125.879 -2.273 25564 6972 1 13 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.533 -0.326 25564 6973 1 13 . 1 1 74 74 GLN C C 74 174.283 174.283 174.440 -0.157 25564 6974 1 13 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.093 1.412 25564 6975 1 13 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.890 1.585 25564 6976 1 13 . 1 1 74 74 GLN H H 74 8.263 8.263 8.693 -0.430 25564 6977 1 13 . 1 1 75 75 TYR N N 75 127.153 127.153 128.337 -1.184 25564 6978 1 13 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.658 0.082 25564 6979 1 13 . 1 1 75 75 TYR C C 75 174.412 174.412 174.649 -0.237 25564 6980 1 13 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.664 1.519 25564 6981 1 13 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.278 0.603 25564 6982 1 13 . 1 1 75 75 TYR H H 75 8.916 8.916 8.962 -0.046 25564 6983 1 13 . 1 1 76 76 ASN N N 76 120.363 120.363 124.012 -3.649 25564 6984 1 13 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.058 0.135 25564 6985 1 13 . 1 1 76 76 ASN C C 76 174.903 174.903 174.466 0.437 25564 6986 1 13 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.452 -0.613 25564 6987 1 13 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.083 1.256 25564 6988 1 13 . 1 1 76 76 ASN H H 76 9.014 9.014 8.899 0.115 25564 6989 1 13 . 1 1 77 77 ILE N N 77 127.376 127.376 127.468 -0.092 25564 6990 1 13 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.393 0.255 25564 6991 1 13 . 1 1 77 77 ILE C C 77 173.510 173.510 175.167 -1.657 25564 6992 1 13 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.269 0.087 25564 6993 1 13 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.136 2.775 25564 6994 1 13 . 1 1 77 77 ILE H H 77 9.466 9.466 8.960 0.506 25564 6995 1 13 . 1 1 78 78 THR N N 78 124.282 124.282 126.641 -2.359 25564 6996 1 13 . 1 1 78 78 THR HA H 78 5.117 5.117 5.428 -0.311 25564 6997 1 13 . 1 1 78 78 THR C C 78 173.140 173.140 173.714 -0.574 25564 6998 1 13 . 1 1 78 78 THR CA C 78 61.961 61.961 61.258 0.703 25564 6999 1 13 . 1 1 78 78 THR CB C 78 70.244 70.244 69.656 0.588 25564 7000 1 13 . 1 1 78 78 THR H H 78 9.535 9.535 8.777 0.758 25564 7001 1 13 . 1 1 79 79 ILE N N 79 125.033 125.033 125.877 -0.844 25564 7002 1 13 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.121 0.470 25564 7003 1 13 . 1 1 79 79 ILE C C 79 173.827 173.827 174.757 -0.930 25564 7004 1 13 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.490 2.258 25564 7005 1 13 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.413 2.857 25564 7006 1 13 . 1 1 79 79 ILE H H 79 8.974 8.974 8.271 0.703 25564 7007 1 13 . 1 1 80 80 TYR N N 80 122.647 122.647 124.223 -1.576 25564 7008 1 13 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.569 -0.050 25564 7009 1 13 . 1 1 80 80 TYR C C 80 177.072 177.072 173.971 3.101 25564 7010 1 13 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.961 0.441 25564 7011 1 13 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.267 0.633 25564 7012 1 13 . 1 1 80 80 TYR H H 80 9.137 9.137 8.844 0.293 25564 7013 1 13 . 1 1 81 81 ALA N N 81 124.412 124.412 127.068 -2.656 25564 7014 1 13 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.495 1.258 25564 7015 1 13 . 1 1 81 81 ALA C C 81 175.811 175.811 175.599 0.212 25564 7016 1 13 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.800 0.857 25564 7017 1 13 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.284 2.032 25564 7018 1 13 . 1 1 81 81 ALA H H 81 8.764 8.764 8.449 0.315 25564 7019 1 13 . 1 1 82 82 VAL N N 82 120.278 120.278 125.624 -5.346 25564 7020 1 13 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.418 0.195 25564 7021 1 13 . 1 1 82 82 VAL C C 82 174.662 174.662 174.182 0.480 25564 7022 1 13 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.997 1.182 25564 7023 1 13 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.746 -0.075 25564 7024 1 13 . 1 1 82 82 VAL H H 82 8.276 8.276 8.498 -0.222 25564 7025 1 13 . 1 1 83 83 GLU N N 83 127.125 127.125 127.280 -0.155 25564 7026 1 13 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.820 -0.283 25564 7027 1 13 . 1 1 83 83 GLU C C 83 175.133 175.133 177.822 -2.689 25564 7028 1 13 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.548 1.452 25564 7029 1 13 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.104 0.612 25564 7030 1 13 . 1 1 83 83 GLU H H 83 8.849 8.849 8.619 0.230 25564 7031 1 13 . 1 1 84 84 GLU N N 84 125.009 125.009 122.117 2.892 25564 7032 1 13 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.975 -0.293 25564 7033 1 13 . 1 1 84 84 GLU C C 84 174.988 174.988 177.012 -2.024 25564 7034 1 13 . 1 1 84 84 GLU CA C 84 59.362 59.362 60.058 -0.696 25564 7035 1 13 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.542 -1.820 25564 7036 1 13 . 1 1 84 84 GLU H H 84 8.952 8.952 9.082 -0.130 25564 7037 1 13 . 1 1 85 85 ASN N N 85 119.010 119.010 114.289 4.721 25564 7038 1 13 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.907 -0.201 25564 7039 1 13 . 1 1 85 85 ASN C C 85 174.499 174.499 174.153 0.346 25564 7040 1 13 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.211 0.742 25564 7041 1 13 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.473 -0.443 25564 7042 1 13 . 1 1 85 85 ASN H H 85 8.412 8.412 8.487 -0.075 25564 7043 1 13 . 1 1 86 86 GLN N N 86 119.080 119.080 118.715 0.365 25564 7044 1 13 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.591 0.013 25564 7045 1 13 . 1 1 86 86 GLN C C 86 174.270 174.270 173.695 0.575 25564 7046 1 13 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.816 0.476 25564 7047 1 13 . 1 1 86 86 GLN CB C 86 32.011 32.011 33.117 -1.106 25564 7048 1 13 . 1 1 86 86 GLN H H 86 8.086 8.086 7.374 0.712 25564 7049 1 13 . 1 1 87 87 GLU N N 87 120.589 120.589 119.905 0.684 25564 7050 1 13 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.907 0.307 25564 7051 1 13 . 1 1 87 87 GLU C C 87 176.092 176.092 175.649 0.443 25564 7052 1 13 . 1 1 87 87 GLU CA C 87 54.722 54.722 54.990 -0.268 25564 7053 1 13 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.538 1.177 25564 7054 1 13 . 1 1 87 87 GLU H H 87 8.498 8.498 8.493 0.005 25564 7055 1 13 . 1 1 88 88 SER N N 88 116.013 116.013 121.985 -5.972 25564 7056 1 13 . 1 1 88 88 SER HA H 88 4.547 4.547 4.422 0.125 25564 7057 1 13 . 1 1 88 88 SER C C 88 175.202 175.202 174.994 0.208 25564 7058 1 13 . 1 1 88 88 SER CA C 88 58.211 58.211 58.756 -0.545 25564 7059 1 13 . 1 1 88 88 SER CB C 88 66.959 66.959 64.366 2.593 25564 7060 1 13 . 1 1 88 88 SER H H 88 8.954 8.954 8.964 -0.010 25564 7061 1 13 . 1 1 89 89 THR N N 89 114.798 114.798 111.214 3.584 25564 7062 1 13 . 1 1 89 89 THR HA H 89 4.520 4.520 4.420 0.100 25564 7063 1 13 . 1 1 89 89 THR C C 89 173.754 173.754 173.438 0.316 25564 7064 1 13 . 1 1 89 89 THR CA C 89 61.673 61.673 61.090 0.584 25564 7065 1 13 . 1 1 89 89 THR CB C 89 69.286 69.286 68.608 0.678 25564 7066 1 13 . 1 1 89 89 THR H H 89 8.559 8.559 8.266 0.293 25564 7067 1 13 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.598 -0.443 25564 7068 1 13 . 1 1 90 90 PRO C C 90 177.970 177.970 176.290 1.680 25564 7069 1 13 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.621 1.104 25564 7070 1 13 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.892 -0.489 25564 7071 1 13 . 1 1 91 91 VAL N N 91 120.679 120.679 123.765 -3.086 25564 7072 1 13 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.014 0.263 25564 7073 1 13 . 1 1 91 91 VAL C C 91 173.958 173.958 174.880 -0.922 25564 7074 1 13 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.476 -0.878 25564 7075 1 13 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.782 1.165 25564 7076 1 13 . 1 1 91 91 VAL H H 91 8.189 8.189 8.474 -0.285 25564 7077 1 13 . 1 1 92 92 VAL N N 92 125.593 125.593 127.483 -1.890 25564 7078 1 13 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.643 0.364 25564 7079 1 13 . 1 1 92 92 VAL C C 92 176.045 176.045 175.251 0.794 25564 7080 1 13 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.702 0.659 25564 7081 1 13 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.844 2.290 25564 7082 1 13 . 1 1 92 92 VAL H H 92 8.300 8.300 8.443 -0.143 25564 7083 1 13 . 1 1 93 93 ILE N N 93 127.733 127.733 124.184 3.549 25564 7084 1 13 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.700 -0.284 25564 7085 1 13 . 1 1 93 93 ILE C C 93 174.071 174.071 174.491 -0.420 25564 7086 1 13 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.924 -0.086 25564 7087 1 13 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.520 2.712 25564 7088 1 13 . 1 1 93 93 ILE H H 93 9.471 9.471 9.003 0.468 25564 7089 1 13 . 1 1 94 94 GLN N N 94 123.610 123.610 127.142 -3.532 25564 7090 1 13 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.091 0.450 25564 7091 1 13 . 1 1 94 94 GLN C C 94 175.328 175.328 175.298 0.030 25564 7092 1 13 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.597 -0.015 25564 7093 1 13 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.098 1.931 25564 7094 1 13 . 1 1 94 94 GLN H H 94 8.522 8.522 8.661 -0.139 25564 7095 1 13 . 1 1 95 95 GLN N N 95 123.044 123.044 124.080 -1.036 25564 7096 1 13 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.642 -0.132 25564 7097 1 13 . 1 1 95 95 GLN C C 95 173.530 173.530 174.245 -0.715 25564 7098 1 13 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.501 0.421 25564 7099 1 13 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.675 -0.152 25564 7100 1 13 . 1 1 95 95 GLN H H 95 8.893 8.893 9.003 -0.110 25564 7101 1 13 . 1 1 96 96 GLU N N 96 128.881 128.881 127.026 1.855 25564 7102 1 13 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.839 0.904 25564 7103 1 13 . 1 1 96 96 GLU C C 96 178.926 178.926 176.711 2.215 25564 7104 1 13 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.237 -0.418 25564 7105 1 13 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.654 0.871 25564 7106 1 13 . 1 1 96 96 GLU H H 96 8.913 8.913 8.781 0.132 25564 7107 1 13 . 1 1 97 97 THR N N 97 116.022 116.022 120.337 -4.315 25564 7108 1 13 . 1 1 97 97 THR HA H 97 4.344 4.344 4.290 0.054 25564 7109 1 13 . 1 1 97 97 THR C C 97 176.660 176.660 175.966 0.694 25564 7110 1 13 . 1 1 97 97 THR CA C 97 61.453 61.453 63.446 -1.993 25564 7111 1 13 . 1 1 97 97 THR CB C 97 69.742 69.742 69.295 0.447 25564 7112 1 13 . 1 1 97 97 THR H H 97 8.740 8.740 8.907 -0.167 25564 7113 1 13 . 1 1 98 98 THR N N 98 110.068 110.068 120.945 -10.877 25564 7114 1 13 . 1 1 98 98 THR HA H 98 4.270 4.270 4.101 0.169 25564 7115 1 13 . 1 1 98 98 THR C C 98 173.859 173.859 175.407 -1.548 25564 7116 1 13 . 1 1 98 98 THR CA C 98 62.659 62.659 63.839 -1.180 25564 7117 1 13 . 1 1 98 98 THR CB C 98 69.654 69.654 69.030 0.624 25564 7118 1 13 . 1 1 98 98 THR H H 98 7.287 7.287 8.615 -1.328 25564 7119 1 13 . 1 1 99 99 GLY N N 99 103.540 103.540 108.214 -4.674 25564 7120 1 13 . 1 1 99 99 GLY C C 99 174.225 174.225 172.506 1.719 25564 7121 1 13 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.178 0.777 25564 7122 1 13 . 1 1 99 99 GLY H H 99 8.033 8.033 7.211 0.822 25564 7123 1 13 . 1 1 100 100 THR N N 100 114.887 114.887 116.824 -1.937 25564 7124 1 13 . 1 1 100 100 THR HA H 100 4.623 4.623 4.613 0.010 25564 7125 1 13 . 1 1 100 100 THR C C 100 172.336 172.336 173.277 -0.941 25564 7126 1 13 . 1 1 100 100 THR CA C 100 59.775 59.775 60.968 -1.193 25564 7127 1 13 . 1 1 100 100 THR CB C 100 70.644 70.644 68.989 1.655 25564 7128 1 13 . 1 1 100 100 THR H H 100 8.055 8.055 8.177 -0.122 25564 7129 1 13 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.391 0.108 25564 7130 1 13 . 1 1 101 101 PRO C C 101 177.344 177.344 176.274 1.070 25564 7131 1 13 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.442 -0.334 25564 7132 1 13 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.442 0.844 25564 7133 1 13 . 1 1 102 102 ARG N N 102 122.476 122.476 124.501 -2.025 25564 7134 1 13 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.228 0.086 25564 7135 1 13 . 1 1 102 102 ARG C C 102 176.790 176.790 176.101 0.689 25564 7136 1 13 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.709 -0.305 25564 7137 1 13 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.937 0.328 25564 7138 1 13 . 1 1 102 102 ARG H H 102 8.771 8.771 8.323 0.448 25564 7139 1 13 . 1 1 103 103 SER HA H 103 4.523 4.523 4.489 0.034 25564 7140 1 13 . 1 1 103 103 SER CA C 103 58.311 58.311 57.465 0.846 25564 7141 1 13 . 1 1 103 103 SER CB C 103 64.168 64.168 64.028 0.141 25564 7142 1 13 . 1 1 104 104 ASP N N 104 122.461 122.461 123.252 -0.791 25564 7143 1 13 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.732 -0.084 25564 7144 1 13 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.990 0.576 25564 7145 1 13 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.308 0.075 25564 7146 1 13 . 1 1 104 104 ASP H H 104 8.418 8.418 8.510 -0.092 25564 7147 1 13 . 1 1 105 105 GLY N N 105 109.250 109.250 109.556 -0.306 25564 7148 1 13 . 1 1 105 105 GLY C C 105 173.987 173.987 173.902 0.085 25564 7149 1 13 . 1 1 105 105 GLY CA C 105 45.773 45.773 46.020 -0.247 25564 7150 1 13 . 1 1 105 105 GLY H H 105 8.390 8.390 7.806 0.584 25564 7151 1 14 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.746 -0.123 25564 7152 1 14 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.575 1.361 25564 7153 1 14 . 1 1 3 3 HIS CB C 3 31.271 31.271 31.566 -0.295 25564 7154 1 14 . 1 1 7 7 THR HA H 7 4.470 4.470 4.391 0.079 25564 7155 1 14 . 1 1 7 7 THR CA C 7 61.923 61.923 62.052 -0.129 25564 7156 1 14 . 1 1 7 7 THR CB C 7 70.142 70.142 69.788 0.354 25564 7157 1 14 . 1 1 8 8 THR N N 8 116.706 116.706 121.061 -4.355 25564 7158 1 14 . 1 1 8 8 THR HA H 8 4.371 4.371 4.499 -0.128 25564 7159 1 14 . 1 1 8 8 THR C C 8 173.590 173.590 172.832 0.758 25564 7160 1 14 . 1 1 8 8 THR CA C 8 61.606 61.606 62.694 -1.088 25564 7161 1 14 . 1 1 8 8 THR CB C 8 70.303 70.303 70.673 -0.370 25564 7162 1 14 . 1 1 8 8 THR H H 8 8.238 8.238 8.195 0.043 25564 7163 1 14 . 1 1 9 9 ALA N N 9 127.030 127.030 128.812 -1.782 25564 7164 1 14 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.631 -0.338 25564 7165 1 14 . 1 1 9 9 ALA C C 9 175.005 175.005 174.685 0.320 25564 7166 1 14 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.148 0.665 25564 7167 1 14 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.903 -1.473 25564 7168 1 14 . 1 1 9 9 ALA H H 9 8.220 8.220 7.993 0.227 25564 7169 1 14 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.477 -0.148 25564 7170 1 14 . 1 1 10 10 PRO C C 10 175.138 175.138 175.997 -0.859 25564 7171 1 14 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.447 0.350 25564 7172 1 14 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.478 -0.641 25564 7173 1 14 . 1 1 11 11 ASP N N 11 116.244 116.244 121.400 -5.156 25564 7174 1 14 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.594 -0.184 25564 7175 1 14 . 1 1 11 11 ASP C C 11 174.009 174.009 175.543 -1.534 25564 7176 1 14 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.090 0.293 25564 7177 1 14 . 1 1 11 11 ASP CB C 11 39.829 39.829 41.939 -2.110 25564 7178 1 14 . 1 1 11 11 ASP H H 11 9.038 9.038 8.391 0.647 25564 7179 1 14 . 1 1 12 12 ALA N N 12 120.012 120.012 122.079 -2.067 25564 7180 1 14 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.682 -0.215 25564 7181 1 14 . 1 1 12 12 ALA C C 12 175.669 175.669 175.276 0.393 25564 7182 1 14 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.541 0.699 25564 7183 1 14 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.767 -0.857 25564 7184 1 14 . 1 1 12 12 ALA H H 12 7.944 7.944 8.359 -0.415 25564 7185 1 14 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.095 -0.606 25564 7186 1 14 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.503 -0.178 25564 7187 1 14 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.233 0.596 25564 7188 1 14 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.256 0.230 25564 7189 1 14 . 1 1 14 14 PRO C C 14 175.966 175.966 176.599 -0.633 25564 7190 1 14 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.929 0.066 25564 7191 1 14 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.426 0.203 25564 7192 1 14 . 1 1 15 15 ASP N N 15 117.405 117.405 121.426 -4.021 25564 7193 1 14 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.394 0.164 25564 7194 1 14 . 1 1 15 15 ASP C C 15 173.011 173.011 175.027 -2.016 25564 7195 1 14 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.940 0.290 25564 7196 1 14 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.280 0.042 25564 7197 1 14 . 1 1 15 15 ASP H H 15 8.470 8.470 8.551 -0.081 25564 7198 1 14 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.742 0.610 25564 7199 1 14 . 1 1 16 16 PRO C C 16 177.534 177.534 176.491 1.043 25564 7200 1 14 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.140 0.464 25564 7201 1 14 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.795 -1.311 25564 7202 1 14 . 1 1 17 17 THR N N 17 117.955 117.955 118.732 -0.777 25564 7203 1 14 . 1 1 17 17 THR HA H 17 4.563 4.563 4.584 -0.021 25564 7204 1 14 . 1 1 17 17 THR C C 17 172.578 172.578 174.327 -1.749 25564 7205 1 14 . 1 1 17 17 THR CA C 17 61.093 61.093 61.350 -0.257 25564 7206 1 14 . 1 1 17 17 THR CB C 17 72.478 72.478 70.588 1.890 25564 7207 1 14 . 1 1 17 17 THR H H 17 9.415 9.415 8.590 0.825 25564 7208 1 14 . 1 1 18 18 VAL N N 18 124.494 124.494 128.609 -4.115 25564 7209 1 14 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.115 0.257 25564 7210 1 14 . 1 1 18 18 VAL C C 18 175.392 175.392 175.966 -0.574 25564 7211 1 14 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.189 -0.339 25564 7212 1 14 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.884 0.190 25564 7213 1 14 . 1 1 18 18 VAL H H 18 8.645 8.645 8.775 -0.130 25564 7214 1 14 . 1 1 19 19 ASP N N 19 129.904 129.904 128.774 1.130 25564 7215 1 14 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.541 0.182 25564 7216 1 14 . 1 1 19 19 ASP C C 19 175.427 175.427 175.700 -0.273 25564 7217 1 14 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.715 -0.812 25564 7218 1 14 . 1 1 19 19 ASP CB C 19 44.271 44.271 41.870 2.401 25564 7219 1 14 . 1 1 19 19 ASP H H 19 8.805 8.805 8.601 0.204 25564 7220 1 14 . 1 1 20 20 GLN N N 20 115.835 115.835 117.793 -1.958 25564 7221 1 14 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.597 -0.147 25564 7222 1 14 . 1 1 20 20 GLN C C 20 173.593 173.593 173.799 -0.206 25564 7223 1 14 . 1 1 20 20 GLN CA C 20 55.945 55.945 55.175 0.770 25564 7224 1 14 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.035 -1.046 25564 7225 1 14 . 1 1 20 20 GLN H H 20 7.431 7.431 7.579 -0.148 25564 7226 1 14 . 1 1 21 21 VAL N N 21 122.956 122.956 122.293 0.663 25564 7227 1 14 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.284 0.435 25564 7228 1 14 . 1 1 21 21 VAL C C 21 173.753 173.753 174.677 -0.924 25564 7229 1 14 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.499 -0.180 25564 7230 1 14 . 1 1 21 21 VAL CB C 21 35.003 35.003 34.220 0.783 25564 7231 1 14 . 1 1 21 21 VAL H H 21 8.317 8.317 8.366 -0.049 25564 7232 1 14 . 1 1 22 22 ASP N N 22 129.722 129.722 125.792 3.930 25564 7233 1 14 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.087 -0.333 25564 7234 1 14 . 1 1 22 22 ASP C C 22 176.114 176.114 176.756 -0.642 25564 7235 1 14 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.373 1.266 25564 7236 1 14 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.385 -3.008 25564 7237 1 14 . 1 1 22 22 ASP H H 22 8.778 8.778 8.770 0.008 25564 7238 1 14 . 1 1 23 23 ASP N N 23 115.970 115.970 119.216 -3.246 25564 7239 1 14 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.486 0.148 25564 7240 1 14 . 1 1 23 23 ASP C C 23 175.820 175.820 176.107 -0.287 25564 7241 1 14 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.185 -0.858 25564 7242 1 14 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.809 0.097 25564 7243 1 14 . 1 1 23 23 ASP H H 23 8.049 8.049 8.700 -0.651 25564 7244 1 14 . 1 1 24 24 THR N N 24 97.756 97.756 107.225 -9.469 25564 7245 1 14 . 1 1 24 24 THR HA H 24 4.566 4.566 4.587 -0.021 25564 7246 1 14 . 1 1 24 24 THR C C 24 174.274 174.274 172.900 1.374 25564 7247 1 14 . 1 1 24 24 THR CA C 24 59.595 59.595 60.654 -1.059 25564 7248 1 14 . 1 1 24 24 THR CB C 24 71.670 71.670 67.820 3.850 25564 7249 1 14 . 1 1 24 24 THR H H 24 7.392 7.392 8.102 -0.710 25564 7250 1 14 . 1 1 25 25 SER N N 25 116.249 116.249 114.938 1.311 25564 7251 1 14 . 1 1 25 25 SER HA H 25 5.440 5.440 5.431 0.009 25564 7252 1 14 . 1 1 25 25 SER C C 25 171.891 171.891 172.053 -0.162 25564 7253 1 14 . 1 1 25 25 SER CA C 25 57.670 57.670 58.027 -0.357 25564 7254 1 14 . 1 1 25 25 SER CB C 25 67.439 67.439 65.721 1.718 25564 7255 1 14 . 1 1 25 25 SER H H 25 7.693 7.693 7.416 0.277 25564 7256 1 14 . 1 1 26 26 ILE N N 26 118.594 118.594 120.411 -1.817 25564 7257 1 14 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.800 -0.386 25564 7258 1 14 . 1 1 26 26 ILE C C 26 174.020 174.020 173.641 0.379 25564 7259 1 14 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.316 0.818 25564 7260 1 14 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.061 2.027 25564 7261 1 14 . 1 1 26 26 ILE H H 26 8.141 8.141 8.761 -0.620 25564 7262 1 14 . 1 1 27 27 VAL N N 27 126.778 126.778 122.795 3.983 25564 7263 1 14 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.235 -0.262 25564 7264 1 14 . 1 1 27 27 VAL C C 27 175.692 175.692 174.799 0.893 25564 7265 1 14 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.568 1.881 25564 7266 1 14 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.926 -0.113 25564 7267 1 14 . 1 1 27 27 VAL H H 27 8.642 8.642 8.636 0.006 25564 7268 1 14 . 1 1 28 28 VAL N N 28 127.624 127.624 123.732 3.892 25564 7269 1 14 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.931 -0.071 25564 7270 1 14 . 1 1 28 28 VAL C C 28 173.467 173.467 173.949 -0.482 25564 7271 1 14 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.443 1.011 25564 7272 1 14 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.872 -0.920 25564 7273 1 14 . 1 1 28 28 VAL H H 28 8.656 8.656 8.897 -0.241 25564 7274 1 14 . 1 1 29 29 ARG N N 29 123.905 123.905 125.195 -1.290 25564 7275 1 14 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.986 -0.269 25564 7276 1 14 . 1 1 29 29 ARG C C 29 174.147 174.147 175.143 -0.996 25564 7277 1 14 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.523 0.343 25564 7278 1 14 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.849 1.342 25564 7279 1 14 . 1 1 29 29 ARG H H 29 9.075 9.075 8.449 0.626 25564 7280 1 14 . 1 1 30 30 TRP N N 30 116.284 116.284 124.100 -7.816 25564 7281 1 14 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.081 -0.235 25564 7282 1 14 . 1 1 30 30 TRP C C 30 174.778 174.778 175.200 -0.422 25564 7283 1 14 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.606 2.929 25564 7284 1 14 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.343 -1.045 25564 7285 1 14 . 1 1 30 30 TRP H H 30 7.512 7.512 8.212 -0.700 25564 7286 1 14 . 1 1 31 31 SER HA H 31 4.747 4.747 4.691 0.056 25564 7287 1 14 . 1 1 31 31 SER C C 31 172.773 172.773 174.517 -1.744 25564 7288 1 14 . 1 1 31 31 SER CA C 31 57.875 57.875 56.721 1.154 25564 7289 1 14 . 1 1 31 31 SER CB C 31 64.093 64.093 62.970 1.123 25564 7290 1 14 . 1 1 32 32 ARG N N 32 122.062 122.062 127.394 -5.332 25564 7291 1 14 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.711 0.168 25564 7292 1 14 . 1 1 32 32 ARG C C 32 175.788 175.788 174.695 1.093 25564 7293 1 14 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.380 -0.096 25564 7294 1 14 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.562 2.858 25564 7295 1 14 . 1 1 32 32 ARG H H 32 8.337 8.337 7.742 0.595 25564 7296 1 14 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.683 -0.207 25564 7297 1 14 . 1 1 33 33 PRO C C 33 175.739 175.739 176.548 -0.809 25564 7298 1 14 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.450 0.516 25564 7299 1 14 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.733 0.242 25564 7300 1 14 . 1 1 34 34 GLN N N 34 122.510 122.510 119.889 2.621 25564 7301 1 14 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.206 -0.052 25564 7302 1 14 . 1 1 34 34 GLN C C 34 177.396 177.396 176.453 0.943 25564 7303 1 14 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.261 1.242 25564 7304 1 14 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.425 0.221 25564 7305 1 14 . 1 1 34 34 GLN H H 34 10.310 10.310 8.818 1.492 25564 7306 1 14 . 1 1 35 35 ALA N N 35 123.797 123.797 124.724 -0.927 25564 7307 1 14 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.347 0.131 25564 7308 1 14 . 1 1 35 35 ALA C C 35 174.959 174.959 175.373 -0.414 25564 7309 1 14 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.723 0.144 25564 7310 1 14 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.756 0.414 25564 7311 1 14 . 1 1 35 35 ALA H H 35 8.725 8.725 7.649 1.076 25564 7312 1 14 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.451 0.132 25564 7313 1 14 . 1 1 36 36 PRO C C 36 175.555 175.555 175.742 -0.187 25564 7314 1 14 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.115 -0.113 25564 7315 1 14 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.372 -1.397 25564 7316 1 14 . 1 1 37 37 ILE N N 37 114.656 114.656 118.559 -3.903 25564 7317 1 14 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.622 -0.222 25564 7318 1 14 . 1 1 37 37 ILE C C 37 176.204 176.204 175.413 0.791 25564 7319 1 14 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.032 2.079 25564 7320 1 14 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.567 1.075 25564 7321 1 14 . 1 1 37 37 ILE H H 37 7.946 7.946 7.816 0.130 25564 7322 1 14 . 1 1 38 38 THR N N 38 109.332 109.332 114.726 -5.394 25564 7323 1 14 . 1 1 38 38 THR HA H 38 4.576 4.576 4.622 -0.046 25564 7324 1 14 . 1 1 38 38 THR C C 38 175.325 175.325 175.567 -0.242 25564 7325 1 14 . 1 1 38 38 THR CA C 38 61.858 61.858 62.361 -0.503 25564 7326 1 14 . 1 1 38 38 THR CB C 38 69.971 69.971 70.122 -0.151 25564 7327 1 14 . 1 1 38 38 THR H H 38 9.767 9.767 8.982 0.785 25564 7328 1 14 . 1 1 39 39 GLY N N 39 109.326 109.326 109.178 0.148 25564 7329 1 14 . 1 1 39 39 GLY C C 39 169.390 169.390 171.786 -2.396 25564 7330 1 14 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.871 -0.231 25564 7331 1 14 . 1 1 39 39 GLY H H 39 7.641 7.641 7.914 -0.273 25564 7332 1 14 . 1 1 40 40 TYR N N 40 113.638 113.638 118.310 -4.672 25564 7333 1 14 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.741 -0.389 25564 7334 1 14 . 1 1 40 40 TYR C C 40 174.719 174.719 175.113 -0.394 25564 7335 1 14 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.323 0.666 25564 7336 1 14 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.945 0.374 25564 7337 1 14 . 1 1 40 40 TYR H H 40 8.470 8.470 8.708 -0.238 25564 7338 1 14 . 1 1 41 41 ARG N N 41 125.140 125.140 122.105 3.035 25564 7339 1 14 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.266 0.016 25564 7340 1 14 . 1 1 41 41 ARG C C 41 173.714 173.714 175.018 -1.304 25564 7341 1 14 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.807 1.962 25564 7342 1 14 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.560 2.141 25564 7343 1 14 . 1 1 41 41 ARG H H 41 9.148 9.148 8.907 0.241 25564 7344 1 14 . 1 1 42 42 ILE N N 42 126.999 126.999 122.365 4.634 25564 7345 1 14 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.225 0.117 25564 7346 1 14 . 1 1 42 42 ILE C C 42 174.706 174.706 174.940 -0.234 25564 7347 1 14 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.783 -2.000 25564 7348 1 14 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.675 -0.281 25564 7349 1 14 . 1 1 42 42 ILE H H 42 9.237 9.237 8.792 0.445 25564 7350 1 14 . 1 1 43 43 VAL N N 43 126.775 126.775 129.014 -2.239 25564 7351 1 14 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.963 0.385 25564 7352 1 14 . 1 1 43 43 VAL C C 43 175.795 175.795 175.585 0.210 25564 7353 1 14 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.990 -0.386 25564 7354 1 14 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.090 2.089 25564 7355 1 14 . 1 1 43 43 VAL H H 43 9.369 9.369 9.040 0.329 25564 7356 1 14 . 1 1 44 44 TYR N N 44 122.788 122.788 126.454 -3.666 25564 7357 1 14 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.933 0.311 25564 7358 1 14 . 1 1 44 44 TYR C C 44 174.353 174.353 174.739 -0.386 25564 7359 1 14 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.362 1.048 25564 7360 1 14 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.061 3.289 25564 7361 1 14 . 1 1 44 44 TYR H H 44 9.253 9.253 8.880 0.373 25564 7362 1 14 . 1 1 45 45 SER N N 45 114.339 114.339 117.334 -2.995 25564 7363 1 14 . 1 1 45 45 SER HA H 45 5.208 5.208 5.133 0.075 25564 7364 1 14 . 1 1 45 45 SER C C 45 171.693 171.693 172.225 -0.532 25564 7365 1 14 . 1 1 45 45 SER CA C 45 55.870 55.870 54.846 1.024 25564 7366 1 14 . 1 1 45 45 SER CB C 45 65.646 65.646 65.845 -0.199 25564 7367 1 14 . 1 1 45 45 SER H H 45 8.797 8.797 8.953 -0.156 25564 7368 1 14 . 1 1 46 46 PRO HA H 46 4.386 4.386 5.401 -1.015 25564 7369 1 14 . 1 1 46 46 PRO C C 46 177.666 177.666 177.107 0.559 25564 7370 1 14 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.222 0.470 25564 7371 1 14 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.355 -0.338 25564 7372 1 14 . 1 1 47 47 SER N N 47 118.732 118.732 118.506 0.226 25564 7373 1 14 . 1 1 47 47 SER HA H 47 4.069 4.069 4.373 -0.304 25564 7374 1 14 . 1 1 47 47 SER C C 47 175.055 175.055 174.733 0.322 25564 7375 1 14 . 1 1 47 47 SER CA C 47 60.992 60.992 60.510 0.482 25564 7376 1 14 . 1 1 47 47 SER CB C 47 63.541 63.541 63.344 0.197 25564 7377 1 14 . 1 1 47 47 SER H H 47 8.648 8.648 8.409 0.239 25564 7378 1 14 . 1 1 48 48 VAL N N 48 117.213 117.213 118.221 -1.008 25564 7379 1 14 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.133 -0.051 25564 7380 1 14 . 1 1 48 48 VAL C C 48 175.456 175.456 175.007 0.449 25564 7381 1 14 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.986 0.001 25564 7382 1 14 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.096 -0.227 25564 7383 1 14 . 1 1 48 48 VAL H H 48 7.640 7.640 7.721 -0.081 25564 7384 1 14 . 1 1 49 49 GLU N N 49 119.528 119.528 118.068 1.460 25564 7385 1 14 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.311 -0.163 25564 7386 1 14 . 1 1 49 49 GLU C C 49 176.081 176.081 174.780 1.301 25564 7387 1 14 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.422 0.752 25564 7388 1 14 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.497 -1.329 25564 7389 1 14 . 1 1 49 49 GLU H H 49 8.150 8.150 7.852 0.298 25564 7390 1 14 . 1 1 50 50 GLY N N 50 108.013 108.013 110.807 -2.794 25564 7391 1 14 . 1 1 50 50 GLY C C 50 173.617 173.617 173.430 0.187 25564 7392 1 14 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.736 0.674 25564 7393 1 14 . 1 1 50 50 GLY H H 50 8.144 8.144 8.275 -0.131 25564 7394 1 14 . 1 1 51 51 SER N N 51 115.893 115.893 119.081 -3.188 25564 7395 1 14 . 1 1 51 51 SER HA H 51 4.604 4.604 4.613 -0.009 25564 7396 1 14 . 1 1 51 51 SER CA C 51 58.145 58.145 58.447 -0.302 25564 7397 1 14 . 1 1 51 51 SER CB C 51 64.429 64.429 63.848 0.581 25564 7398 1 14 . 1 1 51 51 SER H H 51 8.248 8.248 8.772 -0.524 25564 7399 1 14 . 1 1 52 52 SER HA H 52 4.795 4.795 5.348 -0.553 25564 7400 1 14 . 1 1 52 52 SER C C 52 173.840 173.840 173.537 0.303 25564 7401 1 14 . 1 1 52 52 SER CA C 52 58.319 58.319 57.691 0.628 25564 7402 1 14 . 1 1 52 52 SER CB C 52 65.231 65.231 65.959 -0.728 25564 7403 1 14 . 1 1 53 53 THR N N 53 121.052 121.052 120.080 0.972 25564 7404 1 14 . 1 1 53 53 THR HA H 53 4.294 4.294 4.399 -0.105 25564 7405 1 14 . 1 1 53 53 THR C C 53 171.241 171.241 171.700 -0.459 25564 7406 1 14 . 1 1 53 53 THR CA C 53 62.799 62.799 61.392 1.407 25564 7407 1 14 . 1 1 53 53 THR CB C 53 70.995 70.995 71.878 -0.883 25564 7408 1 14 . 1 1 53 53 THR H H 53 8.344 8.344 8.402 -0.058 25564 7409 1 14 . 1 1 54 54 GLU N N 54 125.190 125.190 125.990 -0.800 25564 7410 1 14 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.512 0.102 25564 7411 1 14 . 1 1 54 54 GLU C C 54 175.175 175.175 175.495 -0.320 25564 7412 1 14 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.453 0.059 25564 7413 1 14 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.221 2.450 25564 7414 1 14 . 1 1 54 54 GLU H H 54 8.458 8.458 8.465 -0.007 25564 7415 1 14 . 1 1 55 55 LEU N N 55 125.745 125.745 126.567 -0.822 25564 7416 1 14 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.653 0.202 25564 7417 1 14 . 1 1 55 55 LEU C C 55 175.121 175.121 175.236 -0.115 25564 7418 1 14 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.901 0.105 25564 7419 1 14 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.573 1.163 25564 7420 1 14 . 1 1 55 55 LEU H H 55 9.755 9.755 8.703 1.052 25564 7421 1 14 . 1 1 56 56 ASN N N 56 120.517 120.517 120.599 -0.082 25564 7422 1 14 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.597 -0.033 25564 7423 1 14 . 1 1 56 56 ASN C C 56 174.180 174.180 174.118 0.062 25564 7424 1 14 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.195 1.080 25564 7425 1 14 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.060 1.391 25564 7426 1 14 . 1 1 56 56 ASN H H 56 8.727 8.727 8.514 0.213 25564 7427 1 14 . 1 1 57 57 LEU N N 57 123.534 123.534 126.327 -2.793 25564 7428 1 14 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.047 0.088 25564 7429 1 14 . 1 1 57 57 LEU C C 57 174.960 174.960 175.001 -0.041 25564 7430 1 14 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.513 0.612 25564 7431 1 14 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.508 0.300 25564 7432 1 14 . 1 1 57 57 LEU H H 57 9.075 9.075 8.679 0.396 25564 7433 1 14 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.588 0.467 25564 7434 1 14 . 1 1 58 58 PRO C C 58 176.897 176.897 178.373 -1.476 25564 7435 1 14 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.541 0.049 25564 7436 1 14 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.200 1.667 25564 7437 1 14 . 1 1 59 59 GLU N N 59 117.522 117.522 120.846 -3.324 25564 7438 1 14 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.100 -0.119 25564 7439 1 14 . 1 1 59 59 GLU C C 59 175.246 175.246 176.619 -1.373 25564 7440 1 14 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.748 -0.843 25564 7441 1 14 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.857 0.067 25564 7442 1 14 . 1 1 59 59 GLU H H 59 8.905 8.905 8.714 0.191 25564 7443 1 14 . 1 1 60 60 THR N N 60 106.153 106.153 111.749 -5.596 25564 7444 1 14 . 1 1 60 60 THR HA H 60 4.155 4.155 4.401 -0.246 25564 7445 1 14 . 1 1 60 60 THR C C 60 175.087 175.087 173.955 1.132 25564 7446 1 14 . 1 1 60 60 THR CA C 60 61.646 61.646 60.903 0.743 25564 7447 1 14 . 1 1 60 60 THR CB C 60 69.638 69.638 67.852 1.786 25564 7448 1 14 . 1 1 60 60 THR H H 60 7.056 7.056 8.004 -0.948 25564 7449 1 14 . 1 1 61 61 ALA N N 61 125.590 125.590 123.864 1.726 25564 7450 1 14 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.407 -0.057 25564 7451 1 14 . 1 1 61 61 ALA C C 61 176.988 176.988 176.124 0.864 25564 7452 1 14 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.710 1.760 25564 7453 1 14 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.400 0.824 25564 7454 1 14 . 1 1 61 61 ALA H H 61 7.808 7.808 8.073 -0.265 25564 7455 1 14 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.540 0.123 25564 7456 1 14 . 1 1 62 62 ASN C C 62 171.666 171.666 172.614 -0.948 25564 7457 1 14 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.391 -0.213 25564 7458 1 14 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.300 -0.624 25564 7459 1 14 . 1 1 63 63 SER N N 63 109.802 109.802 115.094 -5.292 25564 7460 1 14 . 1 1 63 63 SER HA H 63 4.341 4.341 4.671 -0.330 25564 7461 1 14 . 1 1 63 63 SER C C 63 172.378 172.378 172.799 -0.421 25564 7462 1 14 . 1 1 63 63 SER CA C 63 56.541 56.541 57.340 -0.799 25564 7463 1 14 . 1 1 63 63 SER CB C 63 65.498 65.498 66.054 -0.556 25564 7464 1 14 . 1 1 63 63 SER H H 63 6.764 6.764 6.823 -0.059 25564 7465 1 14 . 1 1 64 64 VAL N N 64 117.873 117.873 123.640 -5.767 25564 7466 1 14 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.441 -0.001 25564 7467 1 14 . 1 1 64 64 VAL C C 64 171.395 171.395 174.306 -2.911 25564 7468 1 14 . 1 1 64 64 VAL CA C 64 60.744 60.744 58.947 1.797 25564 7469 1 14 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.443 -0.352 25564 7470 1 14 . 1 1 64 64 VAL H H 64 8.793 8.793 8.850 -0.057 25564 7471 1 14 . 1 1 65 65 THR N N 65 123.328 123.328 124.992 -1.664 25564 7472 1 14 . 1 1 65 65 THR HA H 65 4.703 4.703 4.729 -0.026 25564 7473 1 14 . 1 1 65 65 THR C C 65 173.608 173.608 174.530 -0.922 25564 7474 1 14 . 1 1 65 65 THR CA C 65 62.094 62.094 61.928 0.166 25564 7475 1 14 . 1 1 65 65 THR CB C 65 69.754 69.754 68.468 1.286 25564 7476 1 14 . 1 1 65 65 THR H H 65 8.377 8.377 8.554 -0.177 25564 7477 1 14 . 1 1 66 66 LEU N N 66 130.029 130.029 129.055 0.974 25564 7478 1 14 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.295 0.056 25564 7479 1 14 . 1 1 66 66 LEU C C 66 174.738 174.738 176.528 -1.790 25564 7480 1 14 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.717 -1.159 25564 7481 1 14 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.584 -0.378 25564 7482 1 14 . 1 1 66 66 LEU H H 66 9.232 9.232 8.419 0.813 25564 7483 1 14 . 1 1 67 67 SER N N 67 117.107 117.107 114.964 2.143 25564 7484 1 14 . 1 1 67 67 SER HA H 67 4.936 4.936 4.920 0.016 25564 7485 1 14 . 1 1 67 67 SER C C 67 172.509 172.509 174.120 -1.611 25564 7486 1 14 . 1 1 67 67 SER CA C 67 57.340 57.340 56.934 0.407 25564 7487 1 14 . 1 1 67 67 SER CB C 67 66.115 66.115 66.891 -0.776 25564 7488 1 14 . 1 1 67 67 SER H H 67 8.174 8.174 8.328 -0.154 25564 7489 1 14 . 1 1 68 68 ASP N N 68 116.924 116.924 117.680 -0.756 25564 7490 1 14 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.260 0.094 25564 7491 1 14 . 1 1 68 68 ASP C C 68 175.654 175.654 175.557 0.097 25564 7492 1 14 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.714 -0.112 25564 7493 1 14 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.851 -0.137 25564 7494 1 14 . 1 1 68 68 ASP H H 68 9.003 9.003 8.355 0.648 25564 7495 1 14 . 1 1 69 69 LEU N N 69 116.713 116.713 117.146 -0.433 25564 7496 1 14 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.159 0.177 25564 7497 1 14 . 1 1 69 69 LEU C C 69 175.793 175.793 177.007 -1.214 25564 7498 1 14 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.303 -1.756 25564 7499 1 14 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.130 -1.096 25564 7500 1 14 . 1 1 69 69 LEU H H 69 8.605 8.605 7.169 1.436 25564 7501 1 14 . 1 1 70 70 GLN N N 70 118.301 118.301 117.370 0.931 25564 7502 1 14 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.853 -0.087 25564 7503 1 14 . 1 1 70 70 GLN C C 70 174.178 174.178 173.740 0.438 25564 7504 1 14 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.745 0.203 25564 7505 1 14 . 1 1 70 70 GLN CB C 70 30.626 30.626 30.500 0.126 25564 7506 1 14 . 1 1 70 70 GLN H H 70 8.288 8.288 9.350 -1.062 25564 7507 1 14 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.228 1.024 25564 7508 1 14 . 1 1 71 71 PRO C C 71 177.837 177.837 177.363 0.474 25564 7509 1 14 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.915 -0.817 25564 7510 1 14 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.199 2.194 25564 7511 1 14 . 1 1 72 72 GLY N N 72 111.077 111.077 111.901 -0.824 25564 7512 1 14 . 1 1 72 72 GLY C C 72 174.621 174.621 173.233 1.388 25564 7513 1 14 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.025 2.201 25564 7514 1 14 . 1 1 72 72 GLY H H 72 7.348 7.348 8.388 -1.040 25564 7515 1 14 . 1 1 73 73 VAL N N 73 120.434 120.434 118.747 1.687 25564 7516 1 14 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.273 -0.161 25564 7517 1 14 . 1 1 73 73 VAL C C 73 173.963 173.963 174.036 -0.073 25564 7518 1 14 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.348 1.346 25564 7519 1 14 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.638 -0.215 25564 7520 1 14 . 1 1 73 73 VAL H H 73 7.670 7.670 8.398 -0.728 25564 7521 1 14 . 1 1 74 74 GLN N N 74 123.606 123.606 124.611 -1.005 25564 7522 1 14 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.481 -0.274 25564 7523 1 14 . 1 1 74 74 GLN C C 74 174.283 174.283 174.453 -0.170 25564 7524 1 14 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.319 1.186 25564 7525 1 14 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.705 0.770 25564 7526 1 14 . 1 1 74 74 GLN H H 74 8.263 8.263 8.535 -0.272 25564 7527 1 14 . 1 1 75 75 TYR N N 75 127.153 127.153 126.806 0.347 25564 7528 1 14 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.866 -0.126 25564 7529 1 14 . 1 1 75 75 TYR C C 75 174.412 174.412 174.891 -0.479 25564 7530 1 14 . 1 1 75 75 TYR CA C 75 59.183 59.183 56.411 2.772 25564 7531 1 14 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.785 0.096 25564 7532 1 14 . 1 1 75 75 TYR H H 75 8.916 8.916 8.994 -0.078 25564 7533 1 14 . 1 1 76 76 ASN N N 76 120.363 120.363 123.251 -2.888 25564 7534 1 14 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.093 0.100 25564 7535 1 14 . 1 1 76 76 ASN C C 76 174.903 174.903 174.610 0.293 25564 7536 1 14 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.911 -0.072 25564 7537 1 14 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.761 1.578 25564 7538 1 14 . 1 1 76 76 ASN H H 76 9.014 9.014 8.959 0.055 25564 7539 1 14 . 1 1 77 77 ILE N N 77 127.376 127.376 127.838 -0.462 25564 7540 1 14 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.388 0.260 25564 7541 1 14 . 1 1 77 77 ILE C C 77 173.510 173.510 175.221 -1.711 25564 7542 1 14 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.381 -0.025 25564 7543 1 14 . 1 1 77 77 ILE CB C 77 40.911 40.911 37.947 2.964 25564 7544 1 14 . 1 1 77 77 ILE H H 77 9.466 9.466 8.998 0.468 25564 7545 1 14 . 1 1 78 78 THR N N 78 124.282 124.282 126.619 -2.337 25564 7546 1 14 . 1 1 78 78 THR HA H 78 5.117 5.117 5.443 -0.326 25564 7547 1 14 . 1 1 78 78 THR C C 78 173.140 173.140 173.826 -0.686 25564 7548 1 14 . 1 1 78 78 THR CA C 78 61.961 61.961 61.199 0.762 25564 7549 1 14 . 1 1 78 78 THR CB C 78 70.244 70.244 69.281 0.963 25564 7550 1 14 . 1 1 78 78 THR H H 78 9.535 9.535 8.696 0.839 25564 7551 1 14 . 1 1 79 79 ILE N N 79 125.033 125.033 126.809 -1.776 25564 7552 1 14 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.183 0.408 25564 7553 1 14 . 1 1 79 79 ILE C C 79 173.827 173.827 174.822 -0.995 25564 7554 1 14 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.417 2.331 25564 7555 1 14 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.806 3.464 25564 7556 1 14 . 1 1 79 79 ILE H H 79 8.974 8.974 8.329 0.645 25564 7557 1 14 . 1 1 80 80 TYR N N 80 122.647 122.647 125.193 -2.546 25564 7558 1 14 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.598 -0.079 25564 7559 1 14 . 1 1 80 80 TYR C C 80 177.072 177.072 173.877 3.195 25564 7560 1 14 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.677 0.724 25564 7561 1 14 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.993 0.907 25564 7562 1 14 . 1 1 80 80 TYR H H 80 9.137 9.137 8.938 0.199 25564 7563 1 14 . 1 1 81 81 ALA N N 81 124.412 124.412 128.625 -4.213 25564 7564 1 14 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.395 1.358 25564 7565 1 14 . 1 1 81 81 ALA C C 81 175.811 175.811 175.198 0.613 25564 7566 1 14 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.699 0.958 25564 7567 1 14 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.976 2.340 25564 7568 1 14 . 1 1 81 81 ALA H H 81 8.764 8.764 8.649 0.115 25564 7569 1 14 . 1 1 82 82 VAL N N 82 120.278 120.278 124.760 -4.482 25564 7570 1 14 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.476 0.137 25564 7571 1 14 . 1 1 82 82 VAL C C 82 174.662 174.662 174.342 0.320 25564 7572 1 14 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.832 1.347 25564 7573 1 14 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.275 0.396 25564 7574 1 14 . 1 1 82 82 VAL H H 82 8.276 8.276 8.502 -0.226 25564 7575 1 14 . 1 1 83 83 GLU N N 83 127.125 127.125 127.748 -0.623 25564 7576 1 14 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.593 -0.056 25564 7577 1 14 . 1 1 83 83 GLU C C 83 175.133 175.133 175.728 -0.595 25564 7578 1 14 . 1 1 83 83 GLU CA C 83 56.000 56.000 55.098 0.902 25564 7579 1 14 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.115 0.601 25564 7580 1 14 . 1 1 83 83 GLU H H 83 8.849 8.849 8.599 0.250 25564 7581 1 14 . 1 1 84 84 GLU N N 84 125.009 125.009 119.595 5.414 25564 7582 1 14 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.960 -0.278 25564 7583 1 14 . 1 1 84 84 GLU C C 84 174.988 174.988 177.045 -2.057 25564 7584 1 14 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.373 -0.011 25564 7585 1 14 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.818 -2.096 25564 7586 1 14 . 1 1 84 84 GLU H H 84 8.952 8.952 8.902 0.050 25564 7587 1 14 . 1 1 85 85 ASN N N 85 119.010 119.010 113.139 5.871 25564 7588 1 14 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.659 0.047 25564 7589 1 14 . 1 1 85 85 ASN C C 85 174.499 174.499 174.390 0.109 25564 7590 1 14 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.566 0.387 25564 7591 1 14 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.013 0.017 25564 7592 1 14 . 1 1 85 85 ASN H H 85 8.412 8.412 8.264 0.148 25564 7593 1 14 . 1 1 86 86 GLN N N 86 119.080 119.080 119.335 -0.255 25564 7594 1 14 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.566 0.038 25564 7595 1 14 . 1 1 86 86 GLN C C 86 174.270 174.270 174.203 0.067 25564 7596 1 14 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.447 0.845 25564 7597 1 14 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.158 -0.147 25564 7598 1 14 . 1 1 86 86 GLN H H 86 8.086 8.086 7.661 0.425 25564 7599 1 14 . 1 1 87 87 GLU N N 87 120.589 120.589 119.759 0.830 25564 7600 1 14 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.963 0.251 25564 7601 1 14 . 1 1 87 87 GLU C C 87 176.092 176.092 175.735 0.357 25564 7602 1 14 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.223 -0.501 25564 7603 1 14 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.837 0.878 25564 7604 1 14 . 1 1 87 87 GLU H H 87 8.498 8.498 8.509 -0.011 25564 7605 1 14 . 1 1 88 88 SER N N 88 116.013 116.013 121.742 -5.729 25564 7606 1 14 . 1 1 88 88 SER HA H 88 4.547 4.547 4.413 0.134 25564 7607 1 14 . 1 1 88 88 SER C C 88 175.202 175.202 175.336 -0.134 25564 7608 1 14 . 1 1 88 88 SER CA C 88 58.211 58.211 59.240 -1.030 25564 7609 1 14 . 1 1 88 88 SER CB C 88 66.959 66.959 64.055 2.904 25564 7610 1 14 . 1 1 88 88 SER H H 88 8.954 8.954 8.729 0.225 25564 7611 1 14 . 1 1 89 89 THR N N 89 114.798 114.798 115.617 -0.819 25564 7612 1 14 . 1 1 89 89 THR HA H 89 4.520 4.520 4.292 0.228 25564 7613 1 14 . 1 1 89 89 THR C C 89 173.754 173.754 173.162 0.592 25564 7614 1 14 . 1 1 89 89 THR CA C 89 61.673 61.673 61.264 0.409 25564 7615 1 14 . 1 1 89 89 THR CB C 89 69.286 69.286 68.747 0.539 25564 7616 1 14 . 1 1 89 89 THR H H 89 8.559 8.559 8.395 0.164 25564 7617 1 14 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.417 -0.262 25564 7618 1 14 . 1 1 90 90 PRO C C 90 177.970 177.970 176.190 1.780 25564 7619 1 14 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.797 0.927 25564 7620 1 14 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.568 -0.165 25564 7621 1 14 . 1 1 91 91 VAL N N 91 120.679 120.679 124.104 -3.425 25564 7622 1 14 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.994 0.283 25564 7623 1 14 . 1 1 91 91 VAL C C 91 173.958 173.958 174.901 -0.943 25564 7624 1 14 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.613 -1.015 25564 7625 1 14 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.742 1.205 25564 7626 1 14 . 1 1 91 91 VAL H H 91 8.189 8.189 8.457 -0.268 25564 7627 1 14 . 1 1 92 92 VAL N N 92 125.593 125.593 127.533 -1.940 25564 7628 1 14 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.643 0.364 25564 7629 1 14 . 1 1 92 92 VAL C C 92 176.045 176.045 175.170 0.875 25564 7630 1 14 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.776 0.585 25564 7631 1 14 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.121 2.013 25564 7632 1 14 . 1 1 92 92 VAL H H 92 8.300 8.300 8.451 -0.151 25564 7633 1 14 . 1 1 93 93 ILE N N 93 127.733 127.733 124.360 3.373 25564 7634 1 14 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.664 -0.248 25564 7635 1 14 . 1 1 93 93 ILE C C 93 174.071 174.071 174.629 -0.558 25564 7636 1 14 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.740 0.098 25564 7637 1 14 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.591 2.641 25564 7638 1 14 . 1 1 93 93 ILE H H 93 9.471 9.471 8.809 0.662 25564 7639 1 14 . 1 1 94 94 GLN N N 94 123.610 123.610 127.501 -3.891 25564 7640 1 14 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.154 0.387 25564 7641 1 14 . 1 1 94 94 GLN C C 94 175.328 175.328 175.206 0.122 25564 7642 1 14 . 1 1 94 94 GLN CA C 94 54.582 54.582 53.896 0.686 25564 7643 1 14 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.427 2.602 25564 7644 1 14 . 1 1 94 94 GLN H H 94 8.522 8.522 8.664 -0.142 25564 7645 1 14 . 1 1 95 95 GLN N N 95 123.044 123.044 124.610 -1.566 25564 7646 1 14 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.656 -0.146 25564 7647 1 14 . 1 1 95 95 GLN C C 95 173.530 173.530 174.306 -0.776 25564 7648 1 14 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.728 0.194 25564 7649 1 14 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.764 -0.241 25564 7650 1 14 . 1 1 95 95 GLN H H 95 8.893 8.893 8.854 0.039 25564 7651 1 14 . 1 1 96 96 GLU N N 96 128.881 128.881 128.181 0.700 25564 7652 1 14 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.920 0.823 25564 7653 1 14 . 1 1 96 96 GLU C C 96 178.926 178.926 176.688 2.238 25564 7654 1 14 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.193 -0.374 25564 7655 1 14 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.447 1.079 25564 7656 1 14 . 1 1 96 96 GLU H H 96 8.913 8.913 8.711 0.202 25564 7657 1 14 . 1 1 97 97 THR N N 97 116.022 116.022 119.240 -3.218 25564 7658 1 14 . 1 1 97 97 THR HA H 97 4.344 4.344 4.274 0.070 25564 7659 1 14 . 1 1 97 97 THR C C 97 176.660 176.660 175.300 1.360 25564 7660 1 14 . 1 1 97 97 THR CA C 97 61.453 61.453 63.513 -2.060 25564 7661 1 14 . 1 1 97 97 THR CB C 97 69.742 69.742 69.545 0.197 25564 7662 1 14 . 1 1 97 97 THR H H 97 8.740 8.740 8.838 -0.098 25564 7663 1 14 . 1 1 98 98 THR N N 98 110.068 110.068 120.071 -10.003 25564 7664 1 14 . 1 1 98 98 THR HA H 98 4.270 4.270 4.151 0.119 25564 7665 1 14 . 1 1 98 98 THR C C 98 173.859 173.859 175.325 -1.466 25564 7666 1 14 . 1 1 98 98 THR CA C 98 62.659 62.659 64.490 -1.831 25564 7667 1 14 . 1 1 98 98 THR CB C 98 69.654 69.654 69.103 0.551 25564 7668 1 14 . 1 1 98 98 THR H H 98 7.287 7.287 8.743 -1.456 25564 7669 1 14 . 1 1 99 99 GLY N N 99 103.540 103.540 109.674 -6.134 25564 7670 1 14 . 1 1 99 99 GLY C C 99 174.225 174.225 172.687 1.538 25564 7671 1 14 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.562 0.394 25564 7672 1 14 . 1 1 99 99 GLY H H 99 8.033 8.033 7.466 0.567 25564 7673 1 14 . 1 1 100 100 THR N N 100 114.887 114.887 117.065 -2.178 25564 7674 1 14 . 1 1 100 100 THR HA H 100 4.623 4.623 4.619 0.004 25564 7675 1 14 . 1 1 100 100 THR C C 100 172.336 172.336 172.611 -0.275 25564 7676 1 14 . 1 1 100 100 THR CA C 100 59.775 59.775 60.176 -0.401 25564 7677 1 14 . 1 1 100 100 THR CB C 100 70.644 70.644 69.629 1.015 25564 7678 1 14 . 1 1 100 100 THR H H 100 8.055 8.055 8.184 -0.129 25564 7679 1 14 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.400 0.099 25564 7680 1 14 . 1 1 101 101 PRO C C 101 177.344 177.344 176.893 0.451 25564 7681 1 14 . 1 1 101 101 PRO CA C 101 63.108 63.108 62.999 0.109 25564 7682 1 14 . 1 1 101 101 PRO CB C 101 32.286 32.286 32.115 0.171 25564 7683 1 14 . 1 1 102 102 ARG N N 102 122.476 122.476 125.086 -2.610 25564 7684 1 14 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.352 -0.038 25564 7685 1 14 . 1 1 102 102 ARG C C 102 176.790 176.790 176.358 0.432 25564 7686 1 14 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.035 0.369 25564 7687 1 14 . 1 1 102 102 ARG CB C 102 31.265 31.265 28.843 2.422 25564 7688 1 14 . 1 1 102 102 ARG H H 102 8.771 8.771 8.535 0.236 25564 7689 1 14 . 1 1 103 103 SER HA H 103 4.523 4.523 4.445 0.078 25564 7690 1 14 . 1 1 103 103 SER CA C 103 58.311 58.311 58.907 -0.596 25564 7691 1 14 . 1 1 103 103 SER CB C 103 64.168 64.168 63.890 0.278 25564 7692 1 14 . 1 1 104 104 ASP N N 104 122.461 122.461 121.766 0.695 25564 7693 1 14 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.777 -0.129 25564 7694 1 14 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.054 0.512 25564 7695 1 14 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.538 -1.155 25564 7696 1 14 . 1 1 104 104 ASP H H 104 8.418 8.418 7.685 0.733 25564 7697 1 14 . 1 1 105 105 GLY N N 105 109.250 109.250 109.311 -0.061 25564 7698 1 14 . 1 1 105 105 GLY C C 105 173.987 173.987 173.601 0.386 25564 7699 1 14 . 1 1 105 105 GLY CA C 105 45.773 45.773 46.321 -0.548 25564 7700 1 14 . 1 1 105 105 GLY H H 105 8.390 8.390 8.820 -0.430 25564 7701 1 15 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.833 -0.210 25564 7702 1 15 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.000 0.936 25564 7703 1 15 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.662 2.609 25564 7704 1 15 . 1 1 7 7 THR HA H 7 4.470 4.470 4.254 0.216 25564 7705 1 15 . 1 1 7 7 THR CA C 7 61.923 61.923 63.113 -1.190 25564 7706 1 15 . 1 1 7 7 THR CB C 7 70.142 70.142 69.072 1.070 25564 7707 1 15 . 1 1 8 8 THR N N 8 116.706 116.706 116.467 0.239 25564 7708 1 15 . 1 1 8 8 THR HA H 8 4.371 4.371 4.091 0.280 25564 7709 1 15 . 1 1 8 8 THR C C 8 173.590 173.590 174.783 -1.193 25564 7710 1 15 . 1 1 8 8 THR CA C 8 61.606 61.606 63.205 -1.599 25564 7711 1 15 . 1 1 8 8 THR CB C 8 70.303 70.303 69.121 1.182 25564 7712 1 15 . 1 1 8 8 THR H H 8 8.238 8.238 7.551 0.687 25564 7713 1 15 . 1 1 9 9 ALA N N 9 127.030 127.030 127.175 -0.145 25564 7714 1 15 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.121 0.172 25564 7715 1 15 . 1 1 9 9 ALA C C 9 175.005 175.005 175.086 -0.081 25564 7716 1 15 . 1 1 9 9 ALA CA C 9 50.813 50.813 51.852 -1.039 25564 7717 1 15 . 1 1 9 9 ALA CB C 9 18.430 18.430 17.478 0.952 25564 7718 1 15 . 1 1 9 9 ALA H H 9 8.220 8.220 8.394 -0.174 25564 7719 1 15 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.542 -0.213 25564 7720 1 15 . 1 1 10 10 PRO C C 10 175.138 175.138 175.654 -0.516 25564 7721 1 15 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.351 0.446 25564 7722 1 15 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.838 -1.001 25564 7723 1 15 . 1 1 11 11 ASP N N 11 116.244 116.244 119.253 -3.009 25564 7724 1 15 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.665 -0.255 25564 7725 1 15 . 1 1 11 11 ASP C C 11 174.009 174.009 175.338 -1.329 25564 7726 1 15 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.548 0.835 25564 7727 1 15 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.626 -2.796 25564 7728 1 15 . 1 1 11 11 ASP H H 11 9.038 9.038 8.224 0.814 25564 7729 1 15 . 1 1 12 12 ALA N N 12 120.012 120.012 124.913 -4.901 25564 7730 1 15 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.326 0.141 25564 7731 1 15 . 1 1 12 12 ALA C C 12 175.669 175.669 175.579 0.090 25564 7732 1 15 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.930 -0.690 25564 7733 1 15 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.433 -0.523 25564 7734 1 15 . 1 1 12 12 ALA H H 12 7.944 7.944 7.848 0.096 25564 7735 1 15 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.871 -0.382 25564 7736 1 15 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.941 -0.616 25564 7737 1 15 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.486 0.343 25564 7738 1 15 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.307 0.179 25564 7739 1 15 . 1 1 14 14 PRO C C 14 175.966 175.966 176.320 -0.354 25564 7740 1 15 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.882 0.113 25564 7741 1 15 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.397 0.233 25564 7742 1 15 . 1 1 15 15 ASP N N 15 117.405 117.405 121.685 -4.280 25564 7743 1 15 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.417 0.141 25564 7744 1 15 . 1 1 15 15 ASP C C 15 173.011 173.011 174.993 -1.982 25564 7745 1 15 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.664 -0.434 25564 7746 1 15 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.529 0.793 25564 7747 1 15 . 1 1 15 15 ASP H H 15 8.470 8.470 8.503 -0.033 25564 7748 1 15 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.680 0.672 25564 7749 1 15 . 1 1 16 16 PRO C C 16 177.534 177.534 176.477 1.057 25564 7750 1 15 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.336 0.268 25564 7751 1 15 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.807 -1.323 25564 7752 1 15 . 1 1 17 17 THR N N 17 117.955 117.955 119.289 -1.334 25564 7753 1 15 . 1 1 17 17 THR HA H 17 4.563 4.563 4.509 0.054 25564 7754 1 15 . 1 1 17 17 THR C C 17 172.578 172.578 173.900 -1.322 25564 7755 1 15 . 1 1 17 17 THR CA C 17 61.093 61.093 61.757 -0.664 25564 7756 1 15 . 1 1 17 17 THR CB C 17 72.478 72.478 70.159 2.318 25564 7757 1 15 . 1 1 17 17 THR H H 17 9.415 9.415 8.581 0.834 25564 7758 1 15 . 1 1 18 18 VAL N N 18 124.494 124.494 128.114 -3.620 25564 7759 1 15 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.236 0.136 25564 7760 1 15 . 1 1 18 18 VAL C C 18 175.392 175.392 175.928 -0.536 25564 7761 1 15 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.652 0.198 25564 7762 1 15 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.727 0.347 25564 7763 1 15 . 1 1 18 18 VAL H H 18 8.645 8.645 8.737 -0.092 25564 7764 1 15 . 1 1 19 19 ASP N N 19 129.904 129.904 128.228 1.676 25564 7765 1 15 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.616 0.107 25564 7766 1 15 . 1 1 19 19 ASP C C 19 175.427 175.427 175.574 -0.147 25564 7767 1 15 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.495 -0.592 25564 7768 1 15 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.249 2.022 25564 7769 1 15 . 1 1 19 19 ASP H H 19 8.805 8.805 8.705 0.100 25564 7770 1 15 . 1 1 20 20 GLN N N 20 115.835 115.835 118.640 -2.805 25564 7771 1 15 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.608 -0.158 25564 7772 1 15 . 1 1 20 20 GLN C C 20 173.593 173.593 173.946 -0.353 25564 7773 1 15 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.914 1.031 25564 7774 1 15 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.895 -0.906 25564 7775 1 15 . 1 1 20 20 GLN H H 20 7.431 7.431 7.538 -0.107 25564 7776 1 15 . 1 1 21 21 VAL N N 21 122.956 122.956 123.089 -0.133 25564 7777 1 15 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.323 0.396 25564 7778 1 15 . 1 1 21 21 VAL C C 21 173.753 173.753 174.443 -0.690 25564 7779 1 15 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.435 -0.116 25564 7780 1 15 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.909 2.094 25564 7781 1 15 . 1 1 21 21 VAL H H 21 8.317 8.317 8.485 -0.168 25564 7782 1 15 . 1 1 22 22 ASP N N 22 129.722 129.722 127.331 2.391 25564 7783 1 15 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.075 -0.321 25564 7784 1 15 . 1 1 22 22 ASP C C 22 176.114 176.114 176.855 -0.741 25564 7785 1 15 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.521 1.118 25564 7786 1 15 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.293 -2.916 25564 7787 1 15 . 1 1 22 22 ASP H H 22 8.778 8.778 8.684 0.094 25564 7788 1 15 . 1 1 23 23 ASP N N 23 115.970 115.970 119.273 -3.303 25564 7789 1 15 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.362 0.272 25564 7790 1 15 . 1 1 23 23 ASP C C 23 175.820 175.820 176.243 -0.423 25564 7791 1 15 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.254 -0.927 25564 7792 1 15 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.872 0.034 25564 7793 1 15 . 1 1 23 23 ASP H H 23 8.049 8.049 8.418 -0.369 25564 7794 1 15 . 1 1 24 24 THR N N 24 97.756 97.756 106.758 -9.002 25564 7795 1 15 . 1 1 24 24 THR HA H 24 4.566 4.566 4.476 0.090 25564 7796 1 15 . 1 1 24 24 THR C C 24 174.274 174.274 173.094 1.180 25564 7797 1 15 . 1 1 24 24 THR CA C 24 59.595 59.595 60.958 -1.363 25564 7798 1 15 . 1 1 24 24 THR CB C 24 71.670 71.670 67.786 3.884 25564 7799 1 15 . 1 1 24 24 THR H H 24 7.392 7.392 8.009 -0.617 25564 7800 1 15 . 1 1 25 25 SER N N 25 116.249 116.249 116.411 -0.162 25564 7801 1 15 . 1 1 25 25 SER HA H 25 5.440 5.440 5.316 0.124 25564 7802 1 15 . 1 1 25 25 SER C C 25 171.891 171.891 172.245 -0.354 25564 7803 1 15 . 1 1 25 25 SER CA C 25 57.670 57.670 58.523 -0.853 25564 7804 1 15 . 1 1 25 25 SER CB C 25 67.439 67.439 66.233 1.206 25564 7805 1 15 . 1 1 25 25 SER H H 25 7.693 7.693 7.403 0.290 25564 7806 1 15 . 1 1 26 26 ILE N N 26 118.594 118.594 123.836 -5.242 25564 7807 1 15 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.912 -0.498 25564 7808 1 15 . 1 1 26 26 ILE C C 26 174.020 174.020 173.801 0.219 25564 7809 1 15 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.472 0.662 25564 7810 1 15 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.923 2.164 25564 7811 1 15 . 1 1 26 26 ILE H H 26 8.141 8.141 8.721 -0.580 25564 7812 1 15 . 1 1 27 27 VAL N N 27 126.778 126.778 125.265 1.513 25564 7813 1 15 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.154 -0.181 25564 7814 1 15 . 1 1 27 27 VAL C C 27 175.692 175.692 174.717 0.975 25564 7815 1 15 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.352 1.097 25564 7816 1 15 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.133 -0.320 25564 7817 1 15 . 1 1 27 27 VAL H H 27 8.642 8.642 8.806 -0.164 25564 7818 1 15 . 1 1 28 28 VAL N N 28 127.624 127.624 123.365 4.259 25564 7819 1 15 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.945 -0.085 25564 7820 1 15 . 1 1 28 28 VAL C C 28 173.467 173.467 173.711 -0.244 25564 7821 1 15 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.056 1.398 25564 7822 1 15 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.709 -0.757 25564 7823 1 15 . 1 1 28 28 VAL H H 28 8.656 8.656 8.953 -0.297 25564 7824 1 15 . 1 1 29 29 ARG N N 29 123.905 123.905 124.999 -1.094 25564 7825 1 15 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.920 -0.203 25564 7826 1 15 . 1 1 29 29 ARG C C 29 174.147 174.147 175.197 -1.050 25564 7827 1 15 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.621 0.245 25564 7828 1 15 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.982 1.209 25564 7829 1 15 . 1 1 29 29 ARG H H 29 9.075 9.075 8.479 0.596 25564 7830 1 15 . 1 1 30 30 TRP N N 30 116.284 116.284 123.490 -7.206 25564 7831 1 15 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.080 -0.234 25564 7832 1 15 . 1 1 30 30 TRP C C 30 174.778 174.778 174.840 -0.062 25564 7833 1 15 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.649 2.886 25564 7834 1 15 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.176 -0.878 25564 7835 1 15 . 1 1 30 30 TRP H H 30 7.512 7.512 7.950 -0.439 25564 7836 1 15 . 1 1 31 31 SER HA H 31 4.747 4.747 4.757 -0.010 25564 7837 1 15 . 1 1 31 31 SER C C 31 172.773 172.773 174.759 -1.986 25564 7838 1 15 . 1 1 31 31 SER CA C 31 57.875 57.875 56.966 0.909 25564 7839 1 15 . 1 1 31 31 SER CB C 31 64.093 64.093 63.523 0.570 25564 7840 1 15 . 1 1 32 32 ARG N N 32 122.062 122.062 127.109 -5.047 25564 7841 1 15 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.764 0.115 25564 7842 1 15 . 1 1 32 32 ARG C C 32 175.788 175.788 175.148 0.640 25564 7843 1 15 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.777 -0.492 25564 7844 1 15 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.027 2.393 25564 7845 1 15 . 1 1 32 32 ARG H H 32 8.337 8.337 8.324 0.013 25564 7846 1 15 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.564 -0.088 25564 7847 1 15 . 1 1 33 33 PRO C C 33 175.739 175.739 176.503 -0.764 25564 7848 1 15 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.946 1.020 25564 7849 1 15 . 1 1 33 33 PRO CB C 33 32.975 32.975 33.323 -0.348 25564 7850 1 15 . 1 1 34 34 GLN N N 34 122.510 122.510 120.395 2.115 25564 7851 1 15 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.217 -0.063 25564 7852 1 15 . 1 1 34 34 GLN C C 34 177.396 177.396 176.295 1.101 25564 7853 1 15 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.702 0.801 25564 7854 1 15 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.111 0.535 25564 7855 1 15 . 1 1 34 34 GLN H H 34 10.310 10.310 8.757 1.553 25564 7856 1 15 . 1 1 35 35 ALA N N 35 123.797 123.797 124.396 -0.599 25564 7857 1 15 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.353 0.125 25564 7858 1 15 . 1 1 35 35 ALA C C 35 174.959 174.959 175.519 -0.560 25564 7859 1 15 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.389 0.478 25564 7860 1 15 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.647 0.523 25564 7861 1 15 . 1 1 35 35 ALA H H 35 8.725 8.725 7.943 0.782 25564 7862 1 15 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.462 0.121 25564 7863 1 15 . 1 1 36 36 PRO C C 36 175.555 175.555 175.728 -0.173 25564 7864 1 15 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.196 -0.194 25564 7865 1 15 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.273 -1.298 25564 7866 1 15 . 1 1 37 37 ILE N N 37 114.656 114.656 118.252 -3.596 25564 7867 1 15 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.631 -0.231 25564 7868 1 15 . 1 1 37 37 ILE C C 37 176.204 176.204 175.679 0.525 25564 7869 1 15 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.880 2.231 25564 7870 1 15 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.465 1.177 25564 7871 1 15 . 1 1 37 37 ILE H H 37 7.946 7.946 7.881 0.065 25564 7872 1 15 . 1 1 38 38 THR N N 38 109.332 109.332 113.662 -4.330 25564 7873 1 15 . 1 1 38 38 THR HA H 38 4.576 4.576 4.647 -0.071 25564 7874 1 15 . 1 1 38 38 THR C C 38 175.325 175.325 175.389 -0.064 25564 7875 1 15 . 1 1 38 38 THR CA C 38 61.858 61.858 62.198 -0.340 25564 7876 1 15 . 1 1 38 38 THR CB C 38 69.971 69.971 70.100 -0.129 25564 7877 1 15 . 1 1 38 38 THR H H 38 9.767 9.767 8.984 0.783 25564 7878 1 15 . 1 1 39 39 GLY N N 39 109.326 109.326 109.560 -0.234 25564 7879 1 15 . 1 1 39 39 GLY C C 39 169.390 169.390 171.773 -2.383 25564 7880 1 15 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.871 -0.231 25564 7881 1 15 . 1 1 39 39 GLY H H 39 7.641 7.641 7.956 -0.315 25564 7882 1 15 . 1 1 40 40 TYR N N 40 113.638 113.638 118.439 -4.801 25564 7883 1 15 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.638 -0.286 25564 7884 1 15 . 1 1 40 40 TYR C C 40 174.719 174.719 175.035 -0.316 25564 7885 1 15 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.651 0.338 25564 7886 1 15 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.973 0.346 25564 7887 1 15 . 1 1 40 40 TYR H H 40 8.470 8.470 8.754 -0.284 25564 7888 1 15 . 1 1 41 41 ARG N N 41 125.140 125.140 122.164 2.976 25564 7889 1 15 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.368 -0.086 25564 7890 1 15 . 1 1 41 41 ARG C C 41 173.714 173.714 175.199 -1.485 25564 7891 1 15 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.798 0.971 25564 7892 1 15 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.303 1.398 25564 7893 1 15 . 1 1 41 41 ARG H H 41 9.148 9.148 8.965 0.183 25564 7894 1 15 . 1 1 42 42 ILE N N 42 126.999 126.999 122.181 4.818 25564 7895 1 15 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.076 0.266 25564 7896 1 15 . 1 1 42 42 ILE C C 42 174.706 174.706 174.701 0.005 25564 7897 1 15 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.770 -1.987 25564 7898 1 15 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.916 -0.522 25564 7899 1 15 . 1 1 42 42 ILE H H 42 9.237 9.237 8.867 0.370 25564 7900 1 15 . 1 1 43 43 VAL N N 43 126.775 126.775 128.912 -2.137 25564 7901 1 15 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.940 0.408 25564 7902 1 15 . 1 1 43 43 VAL C C 43 175.795 175.795 175.416 0.379 25564 7903 1 15 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.014 -0.410 25564 7904 1 15 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.028 2.151 25564 7905 1 15 . 1 1 43 43 VAL H H 43 9.369 9.369 9.075 0.294 25564 7906 1 15 . 1 1 44 44 TYR N N 44 122.788 122.788 126.197 -3.409 25564 7907 1 15 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.875 0.369 25564 7908 1 15 . 1 1 44 44 TYR C C 44 174.353 174.353 175.087 -0.734 25564 7909 1 15 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.341 1.069 25564 7910 1 15 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.694 3.656 25564 7911 1 15 . 1 1 44 44 TYR H H 44 9.253 9.253 8.845 0.408 25564 7912 1 15 . 1 1 45 45 SER N N 45 114.339 114.339 118.014 -3.675 25564 7913 1 15 . 1 1 45 45 SER HA H 45 5.208 5.208 4.815 0.393 25564 7914 1 15 . 1 1 45 45 SER C C 45 171.693 171.693 171.990 -0.297 25564 7915 1 15 . 1 1 45 45 SER CA C 45 55.870 55.870 55.711 0.159 25564 7916 1 15 . 1 1 45 45 SER CB C 45 65.646 65.646 65.783 -0.137 25564 7917 1 15 . 1 1 45 45 SER H H 45 8.797 8.797 8.997 -0.200 25564 7918 1 15 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.279 0.107 25564 7919 1 15 . 1 1 46 46 PRO C C 46 177.666 177.666 176.374 1.292 25564 7920 1 15 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.031 0.662 25564 7921 1 15 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.845 0.172 25564 7922 1 15 . 1 1 47 47 SER N N 47 118.732 118.732 119.256 -0.524 25564 7923 1 15 . 1 1 47 47 SER HA H 47 4.069 4.069 4.208 -0.139 25564 7924 1 15 . 1 1 47 47 SER C C 47 175.055 175.055 175.508 -0.453 25564 7925 1 15 . 1 1 47 47 SER CA C 47 60.992 60.992 60.619 0.373 25564 7926 1 15 . 1 1 47 47 SER CB C 47 63.541 63.541 63.576 -0.035 25564 7927 1 15 . 1 1 47 47 SER H H 47 8.648 8.648 8.724 -0.076 25564 7928 1 15 . 1 1 48 48 VAL N N 48 117.213 117.213 114.348 2.865 25564 7929 1 15 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.268 -0.186 25564 7930 1 15 . 1 1 48 48 VAL C C 48 175.456 175.456 174.945 0.511 25564 7931 1 15 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.438 0.549 25564 7932 1 15 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.808 0.061 25564 7933 1 15 . 1 1 48 48 VAL H H 48 7.640 7.640 7.743 -0.103 25564 7934 1 15 . 1 1 49 49 GLU N N 49 119.528 119.528 119.250 0.278 25564 7935 1 15 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.317 -0.169 25564 7936 1 15 . 1 1 49 49 GLU C C 49 176.081 176.081 174.505 1.576 25564 7937 1 15 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.331 0.843 25564 7938 1 15 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.894 -1.726 25564 7939 1 15 . 1 1 49 49 GLU H H 49 8.150 8.150 7.573 0.577 25564 7940 1 15 . 1 1 50 50 GLY N N 50 108.013 108.013 110.369 -2.356 25564 7941 1 15 . 1 1 50 50 GLY C C 50 173.617 173.617 173.394 0.223 25564 7942 1 15 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.693 0.717 25564 7943 1 15 . 1 1 50 50 GLY H H 50 8.144 8.144 8.105 0.039 25564 7944 1 15 . 1 1 51 51 SER N N 51 115.893 115.893 118.941 -3.048 25564 7945 1 15 . 1 1 51 51 SER HA H 51 4.604 4.604 4.721 -0.117 25564 7946 1 15 . 1 1 51 51 SER CA C 51 58.145 58.145 58.360 -0.215 25564 7947 1 15 . 1 1 51 51 SER CB C 51 64.429 64.429 64.347 0.083 25564 7948 1 15 . 1 1 51 51 SER H H 51 8.248 8.248 8.444 -0.196 25564 7949 1 15 . 1 1 52 52 SER HA H 52 4.795 4.795 5.513 -0.718 25564 7950 1 15 . 1 1 52 52 SER C C 52 173.840 173.840 173.920 -0.080 25564 7951 1 15 . 1 1 52 52 SER CA C 52 58.319 58.319 57.813 0.506 25564 7952 1 15 . 1 1 52 52 SER CB C 52 65.231 65.231 65.105 0.126 25564 7953 1 15 . 1 1 53 53 THR N N 53 121.052 121.052 119.589 1.463 25564 7954 1 15 . 1 1 53 53 THR HA H 53 4.294 4.294 4.429 -0.135 25564 7955 1 15 . 1 1 53 53 THR C C 53 171.241 171.241 171.687 -0.446 25564 7956 1 15 . 1 1 53 53 THR CA C 53 62.799 62.799 61.328 1.471 25564 7957 1 15 . 1 1 53 53 THR CB C 53 70.995 70.995 72.014 -1.019 25564 7958 1 15 . 1 1 53 53 THR H H 53 8.344 8.344 8.462 -0.118 25564 7959 1 15 . 1 1 54 54 GLU N N 54 125.190 125.190 125.079 0.111 25564 7960 1 15 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.630 -0.016 25564 7961 1 15 . 1 1 54 54 GLU C C 54 175.175 175.175 175.298 -0.123 25564 7962 1 15 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.267 0.245 25564 7963 1 15 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.459 2.212 25564 7964 1 15 . 1 1 54 54 GLU H H 54 8.458 8.458 8.502 -0.044 25564 7965 1 15 . 1 1 55 55 LEU N N 55 125.745 125.745 126.525 -0.780 25564 7966 1 15 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.756 0.099 25564 7967 1 15 . 1 1 55 55 LEU C C 55 175.121 175.121 174.698 0.423 25564 7968 1 15 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.897 0.109 25564 7969 1 15 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.014 0.722 25564 7970 1 15 . 1 1 55 55 LEU H H 55 9.755 9.755 8.630 1.125 25564 7971 1 15 . 1 1 56 56 ASN N N 56 120.517 120.517 119.227 1.290 25564 7972 1 15 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.903 -0.339 25564 7973 1 15 . 1 1 56 56 ASN C C 56 174.180 174.180 174.253 -0.073 25564 7974 1 15 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.662 0.613 25564 7975 1 15 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.126 1.325 25564 7976 1 15 . 1 1 56 56 ASN H H 56 8.727 8.727 8.494 0.233 25564 7977 1 15 . 1 1 57 57 LEU N N 57 123.534 123.534 125.511 -1.977 25564 7978 1 15 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.111 0.024 25564 7979 1 15 . 1 1 57 57 LEU C C 57 174.960 174.960 174.891 0.069 25564 7980 1 15 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.699 0.426 25564 7981 1 15 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.831 -0.024 25564 7982 1 15 . 1 1 57 57 LEU H H 57 9.075 9.075 8.827 0.248 25564 7983 1 15 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.573 0.482 25564 7984 1 15 . 1 1 58 58 PRO C C 58 176.897 176.897 178.409 -1.512 25564 7985 1 15 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.573 0.017 25564 7986 1 15 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.139 1.728 25564 7987 1 15 . 1 1 59 59 GLU N N 59 117.522 117.522 120.913 -3.391 25564 7988 1 15 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.116 -0.135 25564 7989 1 15 . 1 1 59 59 GLU C C 59 175.246 175.246 176.869 -1.623 25564 7990 1 15 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.972 -1.067 25564 7991 1 15 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.774 0.150 25564 7992 1 15 . 1 1 59 59 GLU H H 59 8.905 8.905 8.868 0.037 25564 7993 1 15 . 1 1 60 60 THR N N 60 106.153 106.153 112.370 -6.217 25564 7994 1 15 . 1 1 60 60 THR HA H 60 4.155 4.155 4.366 -0.211 25564 7995 1 15 . 1 1 60 60 THR C C 60 175.087 175.087 173.578 1.509 25564 7996 1 15 . 1 1 60 60 THR CA C 60 61.646 61.646 61.033 0.613 25564 7997 1 15 . 1 1 60 60 THR CB C 60 69.638 69.638 68.083 1.555 25564 7998 1 15 . 1 1 60 60 THR H H 60 7.056 7.056 7.898 -0.842 25564 7999 1 15 . 1 1 61 61 ALA N N 61 125.590 125.590 124.035 1.555 25564 8000 1 15 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.128 0.222 25564 8001 1 15 . 1 1 61 61 ALA C C 61 176.988 176.988 175.947 1.041 25564 8002 1 15 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.691 0.779 25564 8003 1 15 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.729 1.495 25564 8004 1 15 . 1 1 61 61 ALA H H 61 7.808 7.808 8.285 -0.477 25564 8005 1 15 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.575 0.088 25564 8006 1 15 . 1 1 62 62 ASN C C 62 171.666 171.666 172.619 -0.953 25564 8007 1 15 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.229 -0.051 25564 8008 1 15 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.910 -0.234 25564 8009 1 15 . 1 1 63 63 SER N N 63 109.802 109.802 113.653 -3.851 25564 8010 1 15 . 1 1 63 63 SER HA H 63 4.341 4.341 4.620 -0.279 25564 8011 1 15 . 1 1 63 63 SER C C 63 172.378 172.378 172.479 -0.101 25564 8012 1 15 . 1 1 63 63 SER CA C 63 56.541 56.541 57.409 -0.868 25564 8013 1 15 . 1 1 63 63 SER CB C 63 65.498 65.498 65.143 0.355 25564 8014 1 15 . 1 1 63 63 SER H H 63 6.764 6.764 6.695 0.069 25564 8015 1 15 . 1 1 64 64 VAL N N 64 117.873 117.873 122.261 -4.388 25564 8016 1 15 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.491 -0.051 25564 8017 1 15 . 1 1 64 64 VAL C C 64 171.395 171.395 174.325 -2.930 25564 8018 1 15 . 1 1 64 64 VAL CA C 64 60.744 60.744 60.186 0.558 25564 8019 1 15 . 1 1 64 64 VAL CB C 64 35.091 35.091 36.008 -0.917 25564 8020 1 15 . 1 1 64 64 VAL H H 64 8.793 8.793 8.802 -0.009 25564 8021 1 15 . 1 1 65 65 THR N N 65 123.328 123.328 124.741 -1.413 25564 8022 1 15 . 1 1 65 65 THR HA H 65 4.703 4.703 4.590 0.113 25564 8023 1 15 . 1 1 65 65 THR C C 65 173.608 173.608 174.036 -0.428 25564 8024 1 15 . 1 1 65 65 THR CA C 65 62.094 62.094 62.254 -0.160 25564 8025 1 15 . 1 1 65 65 THR CB C 65 69.754 69.754 68.573 1.181 25564 8026 1 15 . 1 1 65 65 THR H H 65 8.377 8.377 8.453 -0.076 25564 8027 1 15 . 1 1 66 66 LEU N N 66 130.029 130.029 127.526 2.503 25564 8028 1 15 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.306 0.045 25564 8029 1 15 . 1 1 66 66 LEU C C 66 174.738 174.738 176.100 -1.362 25564 8030 1 15 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.289 -0.731 25564 8031 1 15 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.325 -1.119 25564 8032 1 15 . 1 1 66 66 LEU H H 66 9.232 9.232 8.642 0.590 25564 8033 1 15 . 1 1 67 67 SER N N 67 117.107 117.107 114.790 2.317 25564 8034 1 15 . 1 1 67 67 SER HA H 67 4.936 4.936 5.054 -0.118 25564 8035 1 15 . 1 1 67 67 SER C C 67 172.509 172.509 173.925 -1.416 25564 8036 1 15 . 1 1 67 67 SER CA C 67 57.340 57.340 56.623 0.716 25564 8037 1 15 . 1 1 67 67 SER CB C 67 66.115 66.115 65.647 0.468 25564 8038 1 15 . 1 1 67 67 SER H H 67 8.174 8.174 8.271 -0.097 25564 8039 1 15 . 1 1 68 68 ASP N N 68 116.924 116.924 118.989 -2.065 25564 8040 1 15 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.317 0.037 25564 8041 1 15 . 1 1 68 68 ASP C C 68 175.654 175.654 175.460 0.194 25564 8042 1 15 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.729 -0.127 25564 8043 1 15 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.773 -0.059 25564 8044 1 15 . 1 1 68 68 ASP H H 68 9.003 9.003 8.304 0.699 25564 8045 1 15 . 1 1 69 69 LEU N N 69 116.713 116.713 116.530 0.183 25564 8046 1 15 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.327 0.009 25564 8047 1 15 . 1 1 69 69 LEU C C 69 175.793 175.793 177.022 -1.229 25564 8048 1 15 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.147 -1.600 25564 8049 1 15 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.319 -1.285 25564 8050 1 15 . 1 1 69 69 LEU H H 69 8.605 8.605 6.958 1.647 25564 8051 1 15 . 1 1 70 70 GLN N N 70 118.301 118.301 118.678 -0.377 25564 8052 1 15 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.774 -0.008 25564 8053 1 15 . 1 1 70 70 GLN C C 70 174.178 174.178 174.040 0.138 25564 8054 1 15 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.305 0.643 25564 8055 1 15 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.947 -1.321 25564 8056 1 15 . 1 1 70 70 GLN H H 70 8.288 8.288 8.637 -0.349 25564 8057 1 15 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.177 1.075 25564 8058 1 15 . 1 1 71 71 PRO C C 71 177.837 177.837 177.464 0.373 25564 8059 1 15 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.984 -0.886 25564 8060 1 15 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.466 1.927 25564 8061 1 15 . 1 1 72 72 GLY N N 72 111.077 111.077 111.564 -0.487 25564 8062 1 15 . 1 1 72 72 GLY C C 72 174.621 174.621 173.377 1.244 25564 8063 1 15 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.204 2.022 25564 8064 1 15 . 1 1 72 72 GLY H H 72 7.348 7.348 8.518 -1.170 25564 8065 1 15 . 1 1 73 73 VAL N N 73 120.434 120.434 118.232 2.202 25564 8066 1 15 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.336 -0.224 25564 8067 1 15 . 1 1 73 73 VAL C C 73 173.963 173.963 174.215 -0.252 25564 8068 1 15 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.626 1.068 25564 8069 1 15 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.908 -0.485 25564 8070 1 15 . 1 1 73 73 VAL H H 73 7.670 7.670 8.128 -0.458 25564 8071 1 15 . 1 1 74 74 GLN N N 74 123.606 123.606 125.264 -1.658 25564 8072 1 15 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.566 -0.359 25564 8073 1 15 . 1 1 74 74 GLN C C 74 174.283 174.283 174.399 -0.116 25564 8074 1 15 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.304 1.201 25564 8075 1 15 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.921 1.554 25564 8076 1 15 . 1 1 74 74 GLN H H 74 8.263 8.263 8.656 -0.393 25564 8077 1 15 . 1 1 75 75 TYR N N 75 127.153 127.153 129.061 -1.908 25564 8078 1 15 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.937 -0.197 25564 8079 1 15 . 1 1 75 75 TYR C C 75 174.412 174.412 175.027 -0.615 25564 8080 1 15 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.668 1.515 25564 8081 1 15 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.068 0.813 25564 8082 1 15 . 1 1 75 75 TYR H H 75 8.916 8.916 9.164 -0.248 25564 8083 1 15 . 1 1 76 76 ASN N N 76 120.363 120.363 124.175 -3.812 25564 8084 1 15 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.043 0.150 25564 8085 1 15 . 1 1 76 76 ASN C C 76 174.903 174.903 174.405 0.498 25564 8086 1 15 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.580 0.259 25564 8087 1 15 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.800 1.539 25564 8088 1 15 . 1 1 76 76 ASN H H 76 9.014 9.014 8.952 0.062 25564 8089 1 15 . 1 1 77 77 ILE N N 77 127.376 127.376 128.232 -0.856 25564 8090 1 15 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.349 0.299 25564 8091 1 15 . 1 1 77 77 ILE C C 77 173.510 173.510 175.249 -1.739 25564 8092 1 15 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.299 0.057 25564 8093 1 15 . 1 1 77 77 ILE CB C 77 40.911 40.911 37.998 2.913 25564 8094 1 15 . 1 1 77 77 ILE H H 77 9.466 9.466 9.044 0.422 25564 8095 1 15 . 1 1 78 78 THR N N 78 124.282 124.282 126.589 -2.307 25564 8096 1 15 . 1 1 78 78 THR HA H 78 5.117 5.117 5.411 -0.294 25564 8097 1 15 . 1 1 78 78 THR C C 78 173.140 173.140 173.699 -0.559 25564 8098 1 15 . 1 1 78 78 THR CA C 78 61.961 61.961 61.143 0.818 25564 8099 1 15 . 1 1 78 78 THR CB C 78 70.244 70.244 69.235 1.009 25564 8100 1 15 . 1 1 78 78 THR H H 78 9.535 9.535 8.811 0.724 25564 8101 1 15 . 1 1 79 79 ILE N N 79 125.033 125.033 126.229 -1.196 25564 8102 1 15 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.149 0.443 25564 8103 1 15 . 1 1 79 79 ILE C C 79 173.827 173.827 174.705 -0.878 25564 8104 1 15 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.425 2.323 25564 8105 1 15 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.347 2.923 25564 8106 1 15 . 1 1 79 79 ILE H H 79 8.974 8.974 8.293 0.681 25564 8107 1 15 . 1 1 80 80 TYR N N 80 122.647 122.647 123.919 -1.272 25564 8108 1 15 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.619 -0.100 25564 8109 1 15 . 1 1 80 80 TYR C C 80 177.072 177.072 174.006 3.066 25564 8110 1 15 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.960 0.441 25564 8111 1 15 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.562 0.339 25564 8112 1 15 . 1 1 80 80 TYR H H 80 9.137 9.137 8.793 0.344 25564 8113 1 15 . 1 1 81 81 ALA N N 81 124.412 124.412 126.784 -2.372 25564 8114 1 15 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.594 1.159 25564 8115 1 15 . 1 1 81 81 ALA C C 81 175.811 175.811 175.578 0.233 25564 8116 1 15 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.650 1.007 25564 8117 1 15 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.466 1.850 25564 8118 1 15 . 1 1 81 81 ALA H H 81 8.764 8.764 8.325 0.439 25564 8119 1 15 . 1 1 82 82 VAL N N 82 120.278 120.278 125.523 -5.245 25564 8120 1 15 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.377 0.236 25564 8121 1 15 . 1 1 82 82 VAL C C 82 174.662 174.662 174.118 0.544 25564 8122 1 15 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.587 0.592 25564 8123 1 15 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.615 -0.944 25564 8124 1 15 . 1 1 82 82 VAL H H 82 8.276 8.276 8.629 -0.353 25564 8125 1 15 . 1 1 83 83 GLU N N 83 127.125 127.125 127.266 -0.141 25564 8126 1 15 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.748 -0.211 25564 8127 1 15 . 1 1 83 83 GLU C C 83 175.133 175.133 175.800 -0.667 25564 8128 1 15 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.525 1.475 25564 8129 1 15 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.179 0.537 25564 8130 1 15 . 1 1 83 83 GLU H H 83 8.849 8.849 8.602 0.247 25564 8131 1 15 . 1 1 84 84 GLU N N 84 125.009 125.009 120.286 4.723 25564 8132 1 15 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.935 -0.253 25564 8133 1 15 . 1 1 84 84 GLU C C 84 174.988 174.988 176.922 -1.934 25564 8134 1 15 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.603 -0.241 25564 8135 1 15 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.808 -2.086 25564 8136 1 15 . 1 1 84 84 GLU H H 84 8.952 8.952 9.026 -0.074 25564 8137 1 15 . 1 1 85 85 ASN N N 85 119.010 119.010 112.640 6.370 25564 8138 1 15 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.688 0.018 25564 8139 1 15 . 1 1 85 85 ASN C C 85 174.499 174.499 174.157 0.342 25564 8140 1 15 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.200 0.753 25564 8141 1 15 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.417 -0.387 25564 8142 1 15 . 1 1 85 85 ASN H H 85 8.412 8.412 8.321 0.091 25564 8143 1 15 . 1 1 86 86 GLN N N 86 119.080 119.080 118.317 0.763 25564 8144 1 15 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.704 -0.100 25564 8145 1 15 . 1 1 86 86 GLN C C 86 174.270 174.270 173.458 0.812 25564 8146 1 15 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.387 0.905 25564 8147 1 15 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.466 0.545 25564 8148 1 15 . 1 1 86 86 GLN H H 86 8.086 8.086 7.500 0.586 25564 8149 1 15 . 1 1 87 87 GLU N N 87 120.589 120.589 119.089 1.500 25564 8150 1 15 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.696 0.518 25564 8151 1 15 . 1 1 87 87 GLU C C 87 176.092 176.092 175.939 0.153 25564 8152 1 15 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.086 -0.364 25564 8153 1 15 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.548 1.167 25564 8154 1 15 . 1 1 87 87 GLU H H 87 8.498 8.498 8.547 -0.049 25564 8155 1 15 . 1 1 88 88 SER N N 88 116.013 116.013 121.293 -5.280 25564 8156 1 15 . 1 1 88 88 SER HA H 88 4.547 4.547 4.412 0.135 25564 8157 1 15 . 1 1 88 88 SER C C 88 175.202 175.202 175.269 -0.067 25564 8158 1 15 . 1 1 88 88 SER CA C 88 58.211 58.211 58.678 -0.467 25564 8159 1 15 . 1 1 88 88 SER CB C 88 66.959 66.959 64.612 2.347 25564 8160 1 15 . 1 1 88 88 SER H H 88 8.954 8.954 9.009 -0.055 25564 8161 1 15 . 1 1 89 89 THR N N 89 114.798 114.798 111.908 2.890 25564 8162 1 15 . 1 1 89 89 THR HA H 89 4.520 4.520 4.449 0.071 25564 8163 1 15 . 1 1 89 89 THR C C 89 173.754 173.754 173.368 0.386 25564 8164 1 15 . 1 1 89 89 THR CA C 89 61.673 61.673 61.171 0.502 25564 8165 1 15 . 1 1 89 89 THR CB C 89 69.286 69.286 67.902 1.384 25564 8166 1 15 . 1 1 89 89 THR H H 89 8.559 8.559 8.198 0.361 25564 8167 1 15 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.731 -0.576 25564 8168 1 15 . 1 1 90 90 PRO C C 90 177.970 177.970 176.361 1.609 25564 8169 1 15 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.412 1.313 25564 8170 1 15 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.709 -0.305 25564 8171 1 15 . 1 1 91 91 VAL N N 91 120.679 120.679 124.816 -4.137 25564 8172 1 15 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.987 0.290 25564 8173 1 15 . 1 1 91 91 VAL C C 91 173.958 173.958 174.870 -0.912 25564 8174 1 15 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.499 -0.901 25564 8175 1 15 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.658 1.289 25564 8176 1 15 . 1 1 91 91 VAL H H 91 8.189 8.189 8.590 -0.401 25564 8177 1 15 . 1 1 92 92 VAL N N 92 125.593 125.593 128.268 -2.675 25564 8178 1 15 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.558 0.449 25564 8179 1 15 . 1 1 92 92 VAL C C 92 176.045 176.045 175.275 0.770 25564 8180 1 15 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.432 -0.071 25564 8181 1 15 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.435 1.699 25564 8182 1 15 . 1 1 92 92 VAL H H 92 8.300 8.300 8.441 -0.141 25564 8183 1 15 . 1 1 93 93 ILE N N 93 127.733 127.733 124.741 2.992 25564 8184 1 15 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.698 -0.282 25564 8185 1 15 . 1 1 93 93 ILE C C 93 174.071 174.071 174.528 -0.457 25564 8186 1 15 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.789 0.049 25564 8187 1 15 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.282 2.950 25564 8188 1 15 . 1 1 93 93 ILE H H 93 9.471 9.471 8.928 0.543 25564 8189 1 15 . 1 1 94 94 GLN N N 94 123.610 123.610 127.055 -3.445 25564 8190 1 15 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.121 0.420 25564 8191 1 15 . 1 1 94 94 GLN C C 94 175.328 175.328 175.347 -0.019 25564 8192 1 15 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.507 0.075 25564 8193 1 15 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.827 2.202 25564 8194 1 15 . 1 1 94 94 GLN H H 94 8.522 8.522 8.681 -0.159 25564 8195 1 15 . 1 1 95 95 GLN N N 95 123.044 123.044 124.335 -1.291 25564 8196 1 15 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.683 -0.172 25564 8197 1 15 . 1 1 95 95 GLN C C 95 173.530 173.530 174.637 -1.107 25564 8198 1 15 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.337 0.585 25564 8199 1 15 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.620 -0.097 25564 8200 1 15 . 1 1 95 95 GLN H H 95 8.893 8.893 9.014 -0.121 25564 8201 1 15 . 1 1 96 96 GLU N N 96 128.881 128.881 125.903 2.978 25564 8202 1 15 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.990 0.753 25564 8203 1 15 . 1 1 96 96 GLU C C 96 178.926 178.926 176.689 2.237 25564 8204 1 15 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.759 -0.940 25564 8205 1 15 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.713 0.812 25564 8206 1 15 . 1 1 96 96 GLU H H 96 8.913 8.913 8.681 0.232 25564 8207 1 15 . 1 1 97 97 THR N N 97 116.022 116.022 118.732 -2.710 25564 8208 1 15 . 1 1 97 97 THR HA H 97 4.344 4.344 4.407 -0.063 25564 8209 1 15 . 1 1 97 97 THR C C 97 176.660 176.660 175.675 0.985 25564 8210 1 15 . 1 1 97 97 THR CA C 97 61.453 61.453 62.954 -1.501 25564 8211 1 15 . 1 1 97 97 THR CB C 97 69.742 69.742 69.168 0.574 25564 8212 1 15 . 1 1 97 97 THR H H 97 8.740 8.740 8.976 -0.236 25564 8213 1 15 . 1 1 98 98 THR N N 98 110.068 110.068 122.184 -12.116 25564 8214 1 15 . 1 1 98 98 THR HA H 98 4.270 4.270 4.173 0.097 25564 8215 1 15 . 1 1 98 98 THR C C 98 173.859 173.859 174.548 -0.689 25564 8216 1 15 . 1 1 98 98 THR CA C 98 62.659 62.659 64.781 -2.122 25564 8217 1 15 . 1 1 98 98 THR CB C 98 69.654 69.654 68.988 0.666 25564 8218 1 15 . 1 1 98 98 THR H H 98 7.287 7.287 8.728 -1.441 25564 8219 1 15 . 1 1 99 99 GLY N N 99 103.540 103.540 108.920 -5.380 25564 8220 1 15 . 1 1 99 99 GLY C C 99 174.225 174.225 172.989 1.236 25564 8221 1 15 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.847 0.108 25564 8222 1 15 . 1 1 99 99 GLY H H 99 8.033 8.033 8.019 0.014 25564 8223 1 15 . 1 1 100 100 THR N N 100 114.887 114.887 118.720 -3.833 25564 8224 1 15 . 1 1 100 100 THR HA H 100 4.623 4.623 4.770 -0.147 25564 8225 1 15 . 1 1 100 100 THR C C 100 172.336 172.336 172.391 -0.055 25564 8226 1 15 . 1 1 100 100 THR CA C 100 59.775 59.775 59.504 0.271 25564 8227 1 15 . 1 1 100 100 THR CB C 100 70.644 70.644 70.225 0.419 25564 8228 1 15 . 1 1 100 100 THR H H 100 8.055 8.055 8.181 -0.126 25564 8229 1 15 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.363 0.136 25564 8230 1 15 . 1 1 101 101 PRO C C 101 177.344 177.344 176.939 0.405 25564 8231 1 15 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.648 -0.539 25564 8232 1 15 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.094 1.192 25564 8233 1 15 . 1 1 102 102 ARG N N 102 122.476 122.476 123.804 -1.328 25564 8234 1 15 . 1 1 102 102 ARG HA H 102 4.314 4.314 3.860 0.454 25564 8235 1 15 . 1 1 102 102 ARG C C 102 176.790 176.790 175.362 1.428 25564 8236 1 15 . 1 1 102 102 ARG CA C 102 56.404 56.404 58.767 -2.363 25564 8237 1 15 . 1 1 102 102 ARG CB C 102 31.265 31.265 29.256 2.009 25564 8238 1 15 . 1 1 102 102 ARG H H 102 8.771 8.771 8.496 0.275 25564 8239 1 15 . 1 1 103 103 SER HA H 103 4.523 4.523 4.584 -0.061 25564 8240 1 15 . 1 1 103 103 SER CA C 103 58.311 58.311 58.623 -0.312 25564 8241 1 15 . 1 1 103 103 SER CB C 103 64.168 64.168 65.879 -1.711 25564 8242 1 15 . 1 1 104 104 ASP N N 104 122.461 122.461 120.069 2.392 25564 8243 1 15 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.700 -0.052 25564 8244 1 15 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.300 0.266 25564 8245 1 15 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.817 -0.434 25564 8246 1 15 . 1 1 104 104 ASP H H 104 8.418 8.418 7.841 0.577 25564 8247 1 15 . 1 1 105 105 GLY N N 105 109.250 109.250 109.139 0.111 25564 8248 1 15 . 1 1 105 105 GLY C C 105 173.987 173.987 173.547 0.440 25564 8249 1 15 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.026 0.747 25564 8250 1 15 . 1 1 105 105 GLY H H 105 8.390 8.390 8.610 -0.220 25564 8251 1 16 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.616 0.007 25564 8252 1 16 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.212 0.724 25564 8253 1 16 . 1 1 3 3 HIS CB C 3 31.271 31.271 31.002 0.269 25564 8254 1 16 . 1 1 7 7 THR HA H 7 4.470 4.470 4.528 -0.058 25564 8255 1 16 . 1 1 7 7 THR CA C 7 61.923 61.923 60.631 1.292 25564 8256 1 16 . 1 1 7 7 THR CB C 7 70.142 70.142 69.937 0.205 25564 8257 1 16 . 1 1 8 8 THR N N 8 116.706 116.706 122.102 -5.396 25564 8258 1 16 . 1 1 8 8 THR HA H 8 4.371 4.371 4.274 0.097 25564 8259 1 16 . 1 1 8 8 THR C C 8 173.590 173.590 174.573 -0.983 25564 8260 1 16 . 1 1 8 8 THR CA C 8 61.606 61.606 62.821 -1.215 25564 8261 1 16 . 1 1 8 8 THR CB C 8 70.303 70.303 69.499 0.804 25564 8262 1 16 . 1 1 8 8 THR H H 8 8.238 8.238 8.446 -0.208 25564 8263 1 16 . 1 1 9 9 ALA N N 9 127.030 127.030 128.189 -1.159 25564 8264 1 16 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.526 -0.233 25564 8265 1 16 . 1 1 9 9 ALA C C 9 175.005 175.005 176.179 -1.174 25564 8266 1 16 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.179 0.634 25564 8267 1 16 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.352 0.078 25564 8268 1 16 . 1 1 9 9 ALA H H 9 8.220 8.220 8.181 0.039 25564 8269 1 16 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.543 -0.214 25564 8270 1 16 . 1 1 10 10 PRO C C 10 175.138 175.138 175.260 -0.122 25564 8271 1 16 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.498 0.299 25564 8272 1 16 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.981 -1.144 25564 8273 1 16 . 1 1 11 11 ASP N N 11 116.244 116.244 118.798 -2.554 25564 8274 1 16 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.768 -0.358 25564 8275 1 16 . 1 1 11 11 ASP C C 11 174.009 174.009 175.144 -1.135 25564 8276 1 16 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.232 0.151 25564 8277 1 16 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.107 -4.278 25564 8278 1 16 . 1 1 11 11 ASP H H 11 9.038 9.038 8.228 0.810 25564 8279 1 16 . 1 1 12 12 ALA N N 12 120.012 120.012 123.403 -3.391 25564 8280 1 16 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.636 -0.169 25564 8281 1 16 . 1 1 12 12 ALA C C 12 175.669 175.669 175.137 0.532 25564 8282 1 16 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.998 0.242 25564 8283 1 16 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.678 -0.768 25564 8284 1 16 . 1 1 12 12 ALA H H 12 7.944 7.944 8.092 -0.148 25564 8285 1 16 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.919 -0.430 25564 8286 1 16 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.830 -0.505 25564 8287 1 16 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.344 0.485 25564 8288 1 16 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.308 0.178 25564 8289 1 16 . 1 1 14 14 PRO C C 14 175.966 175.966 176.236 -0.270 25564 8290 1 16 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.848 0.147 25564 8291 1 16 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.511 0.118 25564 8292 1 16 . 1 1 15 15 ASP N N 15 117.405 117.405 119.083 -1.678 25564 8293 1 16 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.376 0.182 25564 8294 1 16 . 1 1 15 15 ASP C C 15 173.011 173.011 174.864 -1.853 25564 8295 1 16 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.558 0.672 25564 8296 1 16 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.071 1.251 25564 8297 1 16 . 1 1 15 15 ASP H H 15 8.470 8.470 8.469 0.001 25564 8298 1 16 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.767 0.585 25564 8299 1 16 . 1 1 16 16 PRO C C 16 177.534 177.534 176.629 0.905 25564 8300 1 16 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.292 0.312 25564 8301 1 16 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.786 -1.302 25564 8302 1 16 . 1 1 17 17 THR N N 17 117.955 117.955 119.381 -1.426 25564 8303 1 16 . 1 1 17 17 THR HA H 17 4.563 4.563 4.557 0.006 25564 8304 1 16 . 1 1 17 17 THR C C 17 172.578 172.578 174.039 -1.461 25564 8305 1 16 . 1 1 17 17 THR CA C 17 61.093 61.093 61.468 -0.375 25564 8306 1 16 . 1 1 17 17 THR CB C 17 72.478 72.478 70.394 2.084 25564 8307 1 16 . 1 1 17 17 THR H H 17 9.415 9.415 8.669 0.746 25564 8308 1 16 . 1 1 18 18 VAL N N 18 124.494 124.494 128.168 -3.674 25564 8309 1 16 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.225 0.147 25564 8310 1 16 . 1 1 18 18 VAL C C 18 175.392 175.392 175.960 -0.568 25564 8311 1 16 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.584 0.266 25564 8312 1 16 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.896 0.178 25564 8313 1 16 . 1 1 18 18 VAL H H 18 8.645 8.645 8.747 -0.102 25564 8314 1 16 . 1 1 19 19 ASP N N 19 129.904 129.904 128.257 1.647 25564 8315 1 16 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.617 0.106 25564 8316 1 16 . 1 1 19 19 ASP C C 19 175.427 175.427 175.575 -0.148 25564 8317 1 16 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.343 -0.440 25564 8318 1 16 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.289 1.982 25564 8319 1 16 . 1 1 19 19 ASP H H 19 8.805 8.805 8.702 0.103 25564 8320 1 16 . 1 1 20 20 GLN N N 20 115.835 115.835 118.320 -2.485 25564 8321 1 16 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.604 -0.154 25564 8322 1 16 . 1 1 20 20 GLN C C 20 173.593 173.593 173.961 -0.368 25564 8323 1 16 . 1 1 20 20 GLN CA C 20 55.945 55.945 55.082 0.863 25564 8324 1 16 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.882 -0.893 25564 8325 1 16 . 1 1 20 20 GLN H H 20 7.431 7.431 7.515 -0.084 25564 8326 1 16 . 1 1 21 21 VAL N N 21 122.956 122.956 125.190 -2.234 25564 8327 1 16 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.295 0.424 25564 8328 1 16 . 1 1 21 21 VAL C C 21 173.753 173.753 174.534 -0.781 25564 8329 1 16 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.977 -0.658 25564 8330 1 16 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.719 1.284 25564 8331 1 16 . 1 1 21 21 VAL H H 21 8.317 8.317 8.534 -0.217 25564 8332 1 16 . 1 1 22 22 ASP N N 22 129.722 129.722 126.078 3.644 25564 8333 1 16 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.021 -0.267 25564 8334 1 16 . 1 1 22 22 ASP C C 22 176.114 176.114 176.225 -0.111 25564 8335 1 16 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.335 1.304 25564 8336 1 16 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.143 -2.766 25564 8337 1 16 . 1 1 22 22 ASP H H 22 8.778 8.778 8.654 0.124 25564 8338 1 16 . 1 1 23 23 ASP N N 23 115.970 115.970 119.125 -3.155 25564 8339 1 16 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.420 0.214 25564 8340 1 16 . 1 1 23 23 ASP C C 23 175.820 175.820 176.675 -0.855 25564 8341 1 16 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.301 -0.974 25564 8342 1 16 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.912 -0.006 25564 8343 1 16 . 1 1 23 23 ASP H H 23 8.049 8.049 8.741 -0.692 25564 8344 1 16 . 1 1 24 24 THR N N 24 97.756 97.756 107.562 -9.806 25564 8345 1 16 . 1 1 24 24 THR HA H 24 4.566 4.566 4.515 0.051 25564 8346 1 16 . 1 1 24 24 THR C C 24 174.274 174.274 173.252 1.022 25564 8347 1 16 . 1 1 24 24 THR CA C 24 59.595 59.595 60.214 -0.619 25564 8348 1 16 . 1 1 24 24 THR CB C 24 71.670 71.670 67.900 3.769 25564 8349 1 16 . 1 1 24 24 THR H H 24 7.392 7.392 8.089 -0.697 25564 8350 1 16 . 1 1 25 25 SER N N 25 116.249 116.249 114.853 1.396 25564 8351 1 16 . 1 1 25 25 SER HA H 25 5.440 5.440 5.045 0.395 25564 8352 1 16 . 1 1 25 25 SER C C 25 171.891 171.891 171.905 -0.014 25564 8353 1 16 . 1 1 25 25 SER CA C 25 57.670 57.670 58.113 -0.443 25564 8354 1 16 . 1 1 25 25 SER CB C 25 67.439 67.439 65.561 1.878 25564 8355 1 16 . 1 1 25 25 SER H H 25 7.693 7.693 7.291 0.402 25564 8356 1 16 . 1 1 26 26 ILE N N 26 118.594 118.594 122.139 -3.545 25564 8357 1 16 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.904 -0.490 25564 8358 1 16 . 1 1 26 26 ILE C C 26 174.020 174.020 173.660 0.360 25564 8359 1 16 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.451 0.683 25564 8360 1 16 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.877 2.211 25564 8361 1 16 . 1 1 26 26 ILE H H 26 8.141 8.141 8.671 -0.530 25564 8362 1 16 . 1 1 27 27 VAL N N 27 126.778 126.778 125.486 1.292 25564 8363 1 16 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.228 -0.255 25564 8364 1 16 . 1 1 27 27 VAL C C 27 175.692 175.692 174.961 0.731 25564 8365 1 16 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.495 1.954 25564 8366 1 16 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.337 0.476 25564 8367 1 16 . 1 1 27 27 VAL H H 27 8.642 8.642 8.775 -0.133 25564 8368 1 16 . 1 1 28 28 VAL N N 28 127.624 127.624 123.939 3.685 25564 8369 1 16 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.889 -0.029 25564 8370 1 16 . 1 1 28 28 VAL C C 28 173.467 173.467 173.939 -0.472 25564 8371 1 16 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.485 0.969 25564 8372 1 16 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.902 -0.950 25564 8373 1 16 . 1 1 28 28 VAL H H 28 8.656 8.656 8.884 -0.228 25564 8374 1 16 . 1 1 29 29 ARG N N 29 123.905 123.905 124.836 -0.931 25564 8375 1 16 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.968 -0.251 25564 8376 1 16 . 1 1 29 29 ARG C C 29 174.147 174.147 175.075 -0.928 25564 8377 1 16 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.513 0.353 25564 8378 1 16 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.981 1.210 25564 8379 1 16 . 1 1 29 29 ARG H H 29 9.075 9.075 8.445 0.630 25564 8380 1 16 . 1 1 30 30 TRP N N 30 116.284 116.284 123.719 -7.435 25564 8381 1 16 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.103 -0.257 25564 8382 1 16 . 1 1 30 30 TRP C C 30 174.778 174.778 175.407 -0.629 25564 8383 1 16 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.586 2.949 25564 8384 1 16 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.724 -0.426 25564 8385 1 16 . 1 1 30 30 TRP H H 30 7.512 7.512 8.210 -0.698 25564 8386 1 16 . 1 1 31 31 SER HA H 31 4.747 4.747 4.623 0.124 25564 8387 1 16 . 1 1 31 31 SER C C 31 172.773 172.773 174.460 -1.687 25564 8388 1 16 . 1 1 31 31 SER CA C 31 57.875 57.875 57.700 0.175 25564 8389 1 16 . 1 1 31 31 SER CB C 31 64.093 64.093 62.101 1.992 25564 8390 1 16 . 1 1 32 32 ARG N N 32 122.062 122.062 124.524 -2.462 25564 8391 1 16 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.690 0.189 25564 8392 1 16 . 1 1 32 32 ARG C C 32 175.788 175.788 174.682 1.106 25564 8393 1 16 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.044 0.242 25564 8394 1 16 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.982 2.438 25564 8395 1 16 . 1 1 32 32 ARG H H 32 8.337 8.337 7.702 0.635 25564 8396 1 16 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.617 -0.141 25564 8397 1 16 . 1 1 33 33 PRO C C 33 175.739 175.739 177.131 -1.392 25564 8398 1 16 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.882 1.084 25564 8399 1 16 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.803 0.172 25564 8400 1 16 . 1 1 34 34 GLN N N 34 122.510 122.510 119.773 2.737 25564 8401 1 16 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.321 -0.167 25564 8402 1 16 . 1 1 34 34 GLN C C 34 177.396 177.396 175.848 1.548 25564 8403 1 16 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.479 1.024 25564 8404 1 16 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.776 0.870 25564 8405 1 16 . 1 1 34 34 GLN H H 34 10.310 10.310 8.545 1.765 25564 8406 1 16 . 1 1 35 35 ALA N N 35 123.797 123.797 123.995 -0.198 25564 8407 1 16 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.348 0.130 25564 8408 1 16 . 1 1 35 35 ALA C C 35 174.959 174.959 175.735 -0.776 25564 8409 1 16 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.950 -0.083 25564 8410 1 16 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.834 0.336 25564 8411 1 16 . 1 1 35 35 ALA H H 35 8.725 8.725 7.716 1.009 25564 8412 1 16 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.473 0.110 25564 8413 1 16 . 1 1 36 36 PRO C C 36 175.555 175.555 175.630 -0.075 25564 8414 1 16 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.265 -0.263 25564 8415 1 16 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.166 -1.191 25564 8416 1 16 . 1 1 37 37 ILE N N 37 114.656 114.656 118.786 -4.130 25564 8417 1 16 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.640 -0.240 25564 8418 1 16 . 1 1 37 37 ILE C C 37 176.204 176.204 175.618 0.586 25564 8419 1 16 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.285 1.826 25564 8420 1 16 . 1 1 37 37 ILE CB C 37 41.642 41.642 41.005 0.637 25564 8421 1 16 . 1 1 37 37 ILE H H 37 7.946 7.946 7.896 0.050 25564 8422 1 16 . 1 1 38 38 THR N N 38 109.332 109.332 114.508 -5.176 25564 8423 1 16 . 1 1 38 38 THR HA H 38 4.576 4.576 4.660 -0.084 25564 8424 1 16 . 1 1 38 38 THR C C 38 175.325 175.325 175.375 -0.050 25564 8425 1 16 . 1 1 38 38 THR CA C 38 61.858 61.858 62.204 -0.346 25564 8426 1 16 . 1 1 38 38 THR CB C 38 69.971 69.971 70.629 -0.658 25564 8427 1 16 . 1 1 38 38 THR H H 38 9.767 9.767 9.105 0.662 25564 8428 1 16 . 1 1 39 39 GLY N N 39 109.326 109.326 109.576 -0.250 25564 8429 1 16 . 1 1 39 39 GLY C C 39 169.390 169.390 171.735 -2.345 25564 8430 1 16 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.029 -0.389 25564 8431 1 16 . 1 1 39 39 GLY H H 39 7.641 7.641 7.997 -0.356 25564 8432 1 16 . 1 1 40 40 TYR N N 40 113.638 113.638 118.246 -4.608 25564 8433 1 16 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.788 -0.436 25564 8434 1 16 . 1 1 40 40 TYR C C 40 174.719 174.719 175.159 -0.440 25564 8435 1 16 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.170 0.819 25564 8436 1 16 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.877 0.442 25564 8437 1 16 . 1 1 40 40 TYR H H 40 8.470 8.470 8.722 -0.252 25564 8438 1 16 . 1 1 41 41 ARG N N 41 125.140 125.140 121.881 3.259 25564 8439 1 16 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.379 -0.097 25564 8440 1 16 . 1 1 41 41 ARG C C 41 173.714 173.714 175.077 -1.363 25564 8441 1 16 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.702 2.067 25564 8442 1 16 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.690 2.011 25564 8443 1 16 . 1 1 41 41 ARG H H 41 9.148 9.148 8.928 0.220 25564 8444 1 16 . 1 1 42 42 ILE N N 42 126.999 126.999 121.958 5.041 25564 8445 1 16 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.142 0.200 25564 8446 1 16 . 1 1 42 42 ILE C C 42 174.706 174.706 174.953 -0.247 25564 8447 1 16 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.824 -2.041 25564 8448 1 16 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.754 -0.360 25564 8449 1 16 . 1 1 42 42 ILE H H 42 9.237 9.237 8.850 0.387 25564 8450 1 16 . 1 1 43 43 VAL N N 43 126.775 126.775 128.563 -1.788 25564 8451 1 16 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.909 0.439 25564 8452 1 16 . 1 1 43 43 VAL C C 43 175.795 175.795 175.686 0.109 25564 8453 1 16 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.619 -0.015 25564 8454 1 16 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.606 2.572 25564 8455 1 16 . 1 1 43 43 VAL H H 43 9.369 9.369 9.054 0.315 25564 8456 1 16 . 1 1 44 44 TYR N N 44 122.788 122.788 126.131 -3.343 25564 8457 1 16 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.935 0.309 25564 8458 1 16 . 1 1 44 44 TYR C C 44 174.353 174.353 174.936 -0.583 25564 8459 1 16 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.455 0.955 25564 8460 1 16 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.541 2.809 25564 8461 1 16 . 1 1 44 44 TYR H H 44 9.253 9.253 8.897 0.356 25564 8462 1 16 . 1 1 45 45 SER N N 45 114.339 114.339 117.508 -3.169 25564 8463 1 16 . 1 1 45 45 SER HA H 45 5.208 5.208 4.914 0.294 25564 8464 1 16 . 1 1 45 45 SER C C 45 171.693 171.693 171.937 -0.244 25564 8465 1 16 . 1 1 45 45 SER CA C 45 55.870 55.870 55.224 0.646 25564 8466 1 16 . 1 1 45 45 SER CB C 45 65.646 65.646 65.898 -0.252 25564 8467 1 16 . 1 1 45 45 SER H H 45 8.797 8.797 9.037 -0.240 25564 8468 1 16 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.813 -0.427 25564 8469 1 16 . 1 1 46 46 PRO C C 46 177.666 177.666 177.879 -0.213 25564 8470 1 16 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.811 0.881 25564 8471 1 16 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.025 -0.008 25564 8472 1 16 . 1 1 47 47 SER N N 47 118.732 118.732 120.014 -1.282 25564 8473 1 16 . 1 1 47 47 SER HA H 47 4.069 4.069 4.192 -0.123 25564 8474 1 16 . 1 1 47 47 SER C C 47 175.055 175.055 175.398 -0.343 25564 8475 1 16 . 1 1 47 47 SER CA C 47 60.992 60.992 60.668 0.324 25564 8476 1 16 . 1 1 47 47 SER CB C 47 63.541 63.541 63.246 0.295 25564 8477 1 16 . 1 1 47 47 SER H H 47 8.648 8.648 8.546 0.102 25564 8478 1 16 . 1 1 48 48 VAL N N 48 117.213 117.213 114.424 2.789 25564 8479 1 16 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.375 -0.293 25564 8480 1 16 . 1 1 48 48 VAL C C 48 175.456 175.456 174.774 0.682 25564 8481 1 16 . 1 1 48 48 VAL CA C 48 62.987 62.987 61.289 1.698 25564 8482 1 16 . 1 1 48 48 VAL CB C 48 32.869 32.869 31.421 1.448 25564 8483 1 16 . 1 1 48 48 VAL H H 48 7.640 7.640 7.512 0.128 25564 8484 1 16 . 1 1 49 49 GLU N N 49 119.528 119.528 117.720 1.808 25564 8485 1 16 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.021 0.127 25564 8486 1 16 . 1 1 49 49 GLU C C 49 176.081 176.081 175.828 0.253 25564 8487 1 16 . 1 1 49 49 GLU CA C 49 57.174 57.174 57.098 0.076 25564 8488 1 16 . 1 1 49 49 GLU CB C 49 30.168 30.168 28.734 1.434 25564 8489 1 16 . 1 1 49 49 GLU H H 49 8.150 8.150 7.719 0.431 25564 8490 1 16 . 1 1 50 50 GLY N N 50 108.013 108.013 108.656 -0.643 25564 8491 1 16 . 1 1 50 50 GLY C C 50 173.617 173.617 173.689 -0.072 25564 8492 1 16 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.710 0.700 25564 8493 1 16 . 1 1 50 50 GLY H H 50 8.144 8.144 8.343 -0.199 25564 8494 1 16 . 1 1 51 51 SER N N 51 115.893 115.893 120.836 -4.943 25564 8495 1 16 . 1 1 51 51 SER HA H 51 4.604 4.604 4.767 -0.163 25564 8496 1 16 . 1 1 51 51 SER CA C 51 58.145 58.145 58.464 -0.319 25564 8497 1 16 . 1 1 51 51 SER CB C 51 64.429 64.429 63.423 1.006 25564 8498 1 16 . 1 1 51 51 SER H H 51 8.248 8.248 8.484 -0.236 25564 8499 1 16 . 1 1 52 52 SER HA H 52 4.795 4.795 5.478 -0.683 25564 8500 1 16 . 1 1 52 52 SER C C 52 173.840 173.840 173.875 -0.035 25564 8501 1 16 . 1 1 52 52 SER CA C 52 58.319 58.319 57.828 0.491 25564 8502 1 16 . 1 1 52 52 SER CB C 52 65.231 65.231 66.573 -1.342 25564 8503 1 16 . 1 1 53 53 THR N N 53 121.052 121.052 119.129 1.923 25564 8504 1 16 . 1 1 53 53 THR HA H 53 4.294 4.294 4.436 -0.142 25564 8505 1 16 . 1 1 53 53 THR C C 53 171.241 171.241 171.741 -0.500 25564 8506 1 16 . 1 1 53 53 THR CA C 53 62.799 62.799 61.508 1.291 25564 8507 1 16 . 1 1 53 53 THR CB C 53 70.995 70.995 72.231 -1.236 25564 8508 1 16 . 1 1 53 53 THR H H 53 8.344 8.344 8.590 -0.246 25564 8509 1 16 . 1 1 54 54 GLU N N 54 125.190 125.190 124.919 0.271 25564 8510 1 16 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.525 0.089 25564 8511 1 16 . 1 1 54 54 GLU C C 54 175.175 175.175 175.471 -0.296 25564 8512 1 16 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.381 0.131 25564 8513 1 16 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.555 2.116 25564 8514 1 16 . 1 1 54 54 GLU H H 54 8.458 8.458 8.426 0.032 25564 8515 1 16 . 1 1 55 55 LEU N N 55 125.745 125.745 126.239 -0.494 25564 8516 1 16 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.662 0.193 25564 8517 1 16 . 1 1 55 55 LEU C C 55 175.121 175.121 175.290 -0.169 25564 8518 1 16 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.901 0.105 25564 8519 1 16 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.603 1.133 25564 8520 1 16 . 1 1 55 55 LEU H H 55 9.755 9.755 8.700 1.055 25564 8521 1 16 . 1 1 56 56 ASN N N 56 120.517 120.517 120.234 0.283 25564 8522 1 16 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.593 -0.029 25564 8523 1 16 . 1 1 56 56 ASN C C 56 174.180 174.180 174.115 0.065 25564 8524 1 16 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.195 1.080 25564 8525 1 16 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.035 1.416 25564 8526 1 16 . 1 1 56 56 ASN H H 56 8.727 8.727 8.499 0.228 25564 8527 1 16 . 1 1 57 57 LEU N N 57 123.534 123.534 126.368 -2.834 25564 8528 1 16 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.046 0.089 25564 8529 1 16 . 1 1 57 57 LEU C C 57 174.960 174.960 174.996 -0.036 25564 8530 1 16 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.543 0.582 25564 8531 1 16 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.453 0.355 25564 8532 1 16 . 1 1 57 57 LEU H H 57 9.075 9.075 8.666 0.409 25564 8533 1 16 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.539 0.516 25564 8534 1 16 . 1 1 58 58 PRO C C 58 176.897 176.897 178.414 -1.517 25564 8535 1 16 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.682 -0.092 25564 8536 1 16 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.109 1.758 25564 8537 1 16 . 1 1 59 59 GLU N N 59 117.522 117.522 120.615 -3.093 25564 8538 1 16 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.093 -0.112 25564 8539 1 16 . 1 1 59 59 GLU C C 59 175.246 175.246 176.612 -1.366 25564 8540 1 16 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.775 -0.870 25564 8541 1 16 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.860 0.064 25564 8542 1 16 . 1 1 59 59 GLU H H 59 8.905 8.905 8.809 0.096 25564 8543 1 16 . 1 1 60 60 THR N N 60 106.153 106.153 111.583 -5.430 25564 8544 1 16 . 1 1 60 60 THR HA H 60 4.155 4.155 4.436 -0.281 25564 8545 1 16 . 1 1 60 60 THR C C 60 175.087 175.087 173.861 1.226 25564 8546 1 16 . 1 1 60 60 THR CA C 60 61.646 61.646 60.532 1.114 25564 8547 1 16 . 1 1 60 60 THR CB C 60 69.638 69.638 67.875 1.763 25564 8548 1 16 . 1 1 60 60 THR H H 60 7.056 7.056 7.918 -0.862 25564 8549 1 16 . 1 1 61 61 ALA N N 61 125.590 125.590 124.223 1.367 25564 8550 1 16 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.189 0.161 25564 8551 1 16 . 1 1 61 61 ALA C C 61 176.988 176.988 176.418 0.570 25564 8552 1 16 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.082 1.388 25564 8553 1 16 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.886 1.338 25564 8554 1 16 . 1 1 61 61 ALA H H 61 7.808 7.808 8.139 -0.331 25564 8555 1 16 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.867 -0.204 25564 8556 1 16 . 1 1 62 62 ASN C C 62 171.666 171.666 172.706 -1.040 25564 8557 1 16 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.249 -0.071 25564 8558 1 16 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.529 -0.853 25564 8559 1 16 . 1 1 63 63 SER N N 63 109.802 109.802 113.652 -3.850 25564 8560 1 16 . 1 1 63 63 SER HA H 63 4.341 4.341 4.520 -0.179 25564 8561 1 16 . 1 1 63 63 SER C C 63 172.378 172.378 172.461 -0.083 25564 8562 1 16 . 1 1 63 63 SER CA C 63 56.541 56.541 57.332 -0.791 25564 8563 1 16 . 1 1 63 63 SER CB C 63 65.498 65.498 65.146 0.352 25564 8564 1 16 . 1 1 63 63 SER H H 63 6.764 6.764 6.730 0.034 25564 8565 1 16 . 1 1 64 64 VAL N N 64 117.873 117.873 122.063 -4.190 25564 8566 1 16 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.466 -0.026 25564 8567 1 16 . 1 1 64 64 VAL C C 64 171.395 171.395 174.300 -2.905 25564 8568 1 16 . 1 1 64 64 VAL CA C 64 60.744 60.744 60.160 0.584 25564 8569 1 16 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.761 -0.670 25564 8570 1 16 . 1 1 64 64 VAL H H 64 8.793 8.793 8.745 0.048 25564 8571 1 16 . 1 1 65 65 THR N N 65 123.328 123.328 125.054 -1.726 25564 8572 1 16 . 1 1 65 65 THR HA H 65 4.703 4.703 4.512 0.191 25564 8573 1 16 . 1 1 65 65 THR C C 65 173.608 173.608 174.081 -0.473 25564 8574 1 16 . 1 1 65 65 THR CA C 65 62.094 62.094 62.516 -0.421 25564 8575 1 16 . 1 1 65 65 THR CB C 65 69.754 69.754 68.396 1.358 25564 8576 1 16 . 1 1 65 65 THR H H 65 8.377 8.377 8.510 -0.133 25564 8577 1 16 . 1 1 66 66 LEU N N 66 130.029 130.029 127.871 2.158 25564 8578 1 16 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.231 0.120 25564 8579 1 16 . 1 1 66 66 LEU C C 66 174.738 174.738 176.408 -1.670 25564 8580 1 16 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.678 -1.120 25564 8581 1 16 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.069 -0.863 25564 8582 1 16 . 1 1 66 66 LEU H H 66 9.232 9.232 8.507 0.725 25564 8583 1 16 . 1 1 67 67 SER N N 67 117.107 117.107 115.112 1.995 25564 8584 1 16 . 1 1 67 67 SER HA H 67 4.936 4.936 4.997 -0.061 25564 8585 1 16 . 1 1 67 67 SER C C 67 172.509 172.509 174.021 -1.512 25564 8586 1 16 . 1 1 67 67 SER CA C 67 57.340 57.340 57.408 -0.068 25564 8587 1 16 . 1 1 67 67 SER CB C 67 66.115 66.115 66.927 -0.812 25564 8588 1 16 . 1 1 67 67 SER H H 67 8.174 8.174 8.440 -0.266 25564 8589 1 16 . 1 1 68 68 ASP N N 68 116.924 116.924 117.889 -0.965 25564 8590 1 16 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.331 0.023 25564 8591 1 16 . 1 1 68 68 ASP C C 68 175.654 175.654 175.027 0.627 25564 8592 1 16 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.803 -0.201 25564 8593 1 16 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.861 -0.147 25564 8594 1 16 . 1 1 68 68 ASP H H 68 9.003 9.003 8.477 0.526 25564 8595 1 16 . 1 1 69 69 LEU N N 69 116.713 116.713 116.471 0.242 25564 8596 1 16 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.241 0.095 25564 8597 1 16 . 1 1 69 69 LEU C C 69 175.793 175.793 177.175 -1.382 25564 8598 1 16 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.793 -1.246 25564 8599 1 16 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.762 -1.728 25564 8600 1 16 . 1 1 69 69 LEU H H 69 8.605 8.605 7.023 1.582 25564 8601 1 16 . 1 1 70 70 GLN N N 70 118.301 118.301 119.136 -0.835 25564 8602 1 16 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.799 -0.033 25564 8603 1 16 . 1 1 70 70 GLN C C 70 174.178 174.178 173.717 0.461 25564 8604 1 16 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.121 0.827 25564 8605 1 16 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.858 -1.232 25564 8606 1 16 . 1 1 70 70 GLN H H 70 8.288 8.288 8.531 -0.243 25564 8607 1 16 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.191 1.061 25564 8608 1 16 . 1 1 71 71 PRO C C 71 177.837 177.837 177.389 0.448 25564 8609 1 16 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.847 -0.749 25564 8610 1 16 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.556 1.837 25564 8611 1 16 . 1 1 72 72 GLY N N 72 111.077 111.077 111.886 -0.809 25564 8612 1 16 . 1 1 72 72 GLY C C 72 174.621 174.621 173.365 1.256 25564 8613 1 16 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.249 1.977 25564 8614 1 16 . 1 1 72 72 GLY H H 72 7.348 7.348 8.429 -1.081 25564 8615 1 16 . 1 1 73 73 VAL N N 73 120.434 120.434 118.841 1.593 25564 8616 1 16 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.350 -0.238 25564 8617 1 16 . 1 1 73 73 VAL C C 73 173.963 173.963 174.680 -0.717 25564 8618 1 16 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.910 0.784 25564 8619 1 16 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.196 0.227 25564 8620 1 16 . 1 1 73 73 VAL H H 73 7.670 7.670 8.382 -0.712 25564 8621 1 16 . 1 1 74 74 GLN N N 74 123.606 123.606 126.811 -3.205 25564 8622 1 16 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.395 -0.188 25564 8623 1 16 . 1 1 74 74 GLN C C 74 174.283 174.283 174.440 -0.157 25564 8624 1 16 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.463 1.042 25564 8625 1 16 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.306 2.169 25564 8626 1 16 . 1 1 74 74 GLN H H 74 8.263 8.263 8.794 -0.531 25564 8627 1 16 . 1 1 75 75 TYR N N 75 127.153 127.153 128.438 -1.285 25564 8628 1 16 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.920 -0.180 25564 8629 1 16 . 1 1 75 75 TYR C C 75 174.412 174.412 175.044 -0.632 25564 8630 1 16 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.513 1.670 25564 8631 1 16 . 1 1 75 75 TYR CB C 75 40.881 40.881 39.863 1.018 25564 8632 1 16 . 1 1 75 75 TYR H H 75 8.916 8.916 8.960 -0.044 25564 8633 1 16 . 1 1 76 76 ASN N N 76 120.363 120.363 124.125 -3.762 25564 8634 1 16 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.054 0.139 25564 8635 1 16 . 1 1 76 76 ASN C C 76 174.903 174.903 174.505 0.398 25564 8636 1 16 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.941 -0.102 25564 8637 1 16 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.850 1.489 25564 8638 1 16 . 1 1 76 76 ASN H H 76 9.014 9.014 8.964 0.050 25564 8639 1 16 . 1 1 77 77 ILE N N 77 127.376 127.376 127.904 -0.528 25564 8640 1 16 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.377 0.272 25564 8641 1 16 . 1 1 77 77 ILE C C 77 173.510 173.510 175.228 -1.718 25564 8642 1 16 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.299 0.057 25564 8643 1 16 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.323 2.588 25564 8644 1 16 . 1 1 77 77 ILE H H 77 9.466 9.466 9.013 0.453 25564 8645 1 16 . 1 1 78 78 THR N N 78 124.282 124.282 126.327 -2.045 25564 8646 1 16 . 1 1 78 78 THR HA H 78 5.117 5.117 5.480 -0.363 25564 8647 1 16 . 1 1 78 78 THR C C 78 173.140 173.140 173.768 -0.628 25564 8648 1 16 . 1 1 78 78 THR CA C 78 61.961 61.961 61.006 0.955 25564 8649 1 16 . 1 1 78 78 THR CB C 78 70.244 70.244 69.526 0.718 25564 8650 1 16 . 1 1 78 78 THR H H 78 9.535 9.535 8.762 0.773 25564 8651 1 16 . 1 1 79 79 ILE N N 79 125.033 125.033 126.509 -1.476 25564 8652 1 16 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.188 0.403 25564 8653 1 16 . 1 1 79 79 ILE C C 79 173.827 173.827 174.806 -0.979 25564 8654 1 16 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.411 2.337 25564 8655 1 16 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.983 3.287 25564 8656 1 16 . 1 1 79 79 ILE H H 79 8.974 8.974 8.352 0.622 25564 8657 1 16 . 1 1 80 80 TYR N N 80 122.647 122.647 125.125 -2.478 25564 8658 1 16 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.566 -0.047 25564 8659 1 16 . 1 1 80 80 TYR C C 80 177.072 177.072 174.131 2.941 25564 8660 1 16 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.883 0.518 25564 8661 1 16 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.932 0.968 25564 8662 1 16 . 1 1 80 80 TYR H H 80 9.137 9.137 8.900 0.237 25564 8663 1 16 . 1 1 81 81 ALA N N 81 124.412 124.412 127.800 -3.388 25564 8664 1 16 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.647 1.106 25564 8665 1 16 . 1 1 81 81 ALA C C 81 175.811 175.811 175.077 0.734 25564 8666 1 16 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.065 0.592 25564 8667 1 16 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.192 2.124 25564 8668 1 16 . 1 1 81 81 ALA H H 81 8.764 8.764 8.789 -0.025 25564 8669 1 16 . 1 1 82 82 VAL N N 82 120.278 120.278 124.456 -4.178 25564 8670 1 16 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.511 0.102 25564 8671 1 16 . 1 1 82 82 VAL C C 82 174.662 174.662 174.144 0.518 25564 8672 1 16 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.738 1.441 25564 8673 1 16 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.907 -0.236 25564 8674 1 16 . 1 1 82 82 VAL H H 82 8.276 8.276 8.482 -0.206 25564 8675 1 16 . 1 1 83 83 GLU N N 83 127.125 127.125 127.992 -0.867 25564 8676 1 16 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.743 -0.206 25564 8677 1 16 . 1 1 83 83 GLU C C 83 175.133 175.133 176.220 -1.087 25564 8678 1 16 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.701 1.299 25564 8679 1 16 . 1 1 83 83 GLU CB C 83 31.716 31.716 30.849 0.867 25564 8680 1 16 . 1 1 83 83 GLU H H 83 8.849 8.849 8.792 0.057 25564 8681 1 16 . 1 1 84 84 GLU N N 84 125.009 125.009 120.599 4.410 25564 8682 1 16 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.948 -0.266 25564 8683 1 16 . 1 1 84 84 GLU C C 84 174.988 174.988 177.186 -2.198 25564 8684 1 16 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.714 -0.352 25564 8685 1 16 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.692 -1.970 25564 8686 1 16 . 1 1 84 84 GLU H H 84 8.952 8.952 8.990 -0.038 25564 8687 1 16 . 1 1 85 85 ASN N N 85 119.010 119.010 112.403 6.607 25564 8688 1 16 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.724 -0.018 25564 8689 1 16 . 1 1 85 85 ASN C C 85 174.499 174.499 174.607 -0.108 25564 8690 1 16 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.442 0.511 25564 8691 1 16 . 1 1 85 85 ASN CB C 85 39.030 39.030 38.906 0.124 25564 8692 1 16 . 1 1 85 85 ASN H H 85 8.412 8.412 8.337 0.075 25564 8693 1 16 . 1 1 86 86 GLN N N 86 119.080 119.080 118.203 0.877 25564 8694 1 16 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.567 0.037 25564 8695 1 16 . 1 1 86 86 GLN C C 86 174.270 174.270 173.579 0.691 25564 8696 1 16 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.669 0.623 25564 8697 1 16 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.528 -0.517 25564 8698 1 16 . 1 1 86 86 GLN H H 86 8.086 8.086 7.367 0.719 25564 8699 1 16 . 1 1 87 87 GLU N N 87 120.589 120.589 119.466 1.123 25564 8700 1 16 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.816 0.398 25564 8701 1 16 . 1 1 87 87 GLU C C 87 176.092 176.092 175.853 0.239 25564 8702 1 16 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.471 -0.749 25564 8703 1 16 . 1 1 87 87 GLU CB C 87 33.715 33.715 30.906 2.809 25564 8704 1 16 . 1 1 87 87 GLU H H 87 8.498 8.498 8.642 -0.144 25564 8705 1 16 . 1 1 88 88 SER N N 88 116.013 116.013 121.647 -5.634 25564 8706 1 16 . 1 1 88 88 SER HA H 88 4.547 4.547 4.412 0.135 25564 8707 1 16 . 1 1 88 88 SER C C 88 175.202 175.202 175.164 0.038 25564 8708 1 16 . 1 1 88 88 SER CA C 88 58.211 58.211 59.309 -1.098 25564 8709 1 16 . 1 1 88 88 SER CB C 88 66.959 66.959 63.989 2.970 25564 8710 1 16 . 1 1 88 88 SER H H 88 8.954 8.954 8.883 0.071 25564 8711 1 16 . 1 1 89 89 THR N N 89 114.798 114.798 113.743 1.055 25564 8712 1 16 . 1 1 89 89 THR HA H 89 4.520 4.520 4.317 0.203 25564 8713 1 16 . 1 1 89 89 THR C C 89 173.754 173.754 173.281 0.473 25564 8714 1 16 . 1 1 89 89 THR CA C 89 61.673 61.673 61.838 -0.165 25564 8715 1 16 . 1 1 89 89 THR CB C 89 69.286 69.286 68.376 0.910 25564 8716 1 16 . 1 1 89 89 THR H H 89 8.559 8.559 8.417 0.142 25564 8717 1 16 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.770 -0.615 25564 8718 1 16 . 1 1 90 90 PRO C C 90 177.970 177.970 176.614 1.356 25564 8719 1 16 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.327 1.398 25564 8720 1 16 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.892 -0.489 25564 8721 1 16 . 1 1 91 91 VAL N N 91 120.679 120.679 123.586 -2.907 25564 8722 1 16 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.959 0.318 25564 8723 1 16 . 1 1 91 91 VAL C C 91 173.958 173.958 174.693 -0.735 25564 8724 1 16 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.415 -0.817 25564 8725 1 16 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.941 1.006 25564 8726 1 16 . 1 1 91 91 VAL H H 91 8.189 8.189 8.453 -0.264 25564 8727 1 16 . 1 1 92 92 VAL N N 92 125.593 125.593 127.226 -1.633 25564 8728 1 16 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.680 0.327 25564 8729 1 16 . 1 1 92 92 VAL C C 92 176.045 176.045 175.505 0.540 25564 8730 1 16 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.631 0.730 25564 8731 1 16 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.655 2.479 25564 8732 1 16 . 1 1 92 92 VAL H H 92 8.300 8.300 8.500 -0.200 25564 8733 1 16 . 1 1 93 93 ILE N N 93 127.733 127.733 125.057 2.676 25564 8734 1 16 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.677 -0.261 25564 8735 1 16 . 1 1 93 93 ILE C C 93 174.071 174.071 174.510 -0.439 25564 8736 1 16 . 1 1 93 93 ILE CA C 93 59.838 59.838 60.049 -0.211 25564 8737 1 16 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.476 2.756 25564 8738 1 16 . 1 1 93 93 ILE H H 93 9.471 9.471 9.005 0.466 25564 8739 1 16 . 1 1 94 94 GLN N N 94 123.610 123.610 127.181 -3.571 25564 8740 1 16 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.937 0.604 25564 8741 1 16 . 1 1 94 94 GLN C C 94 175.328 175.328 175.302 0.026 25564 8742 1 16 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.712 -0.130 25564 8743 1 16 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.657 2.372 25564 8744 1 16 . 1 1 94 94 GLN H H 94 8.522 8.522 8.699 -0.177 25564 8745 1 16 . 1 1 95 95 GLN N N 95 123.044 123.044 124.548 -1.504 25564 8746 1 16 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.634 -0.124 25564 8747 1 16 . 1 1 95 95 GLN C C 95 173.530 173.530 174.406 -0.876 25564 8748 1 16 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.285 0.637 25564 8749 1 16 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.357 0.166 25564 8750 1 16 . 1 1 95 95 GLN H H 95 8.893 8.893 8.946 -0.053 25564 8751 1 16 . 1 1 96 96 GLU N N 96 128.881 128.881 126.678 2.203 25564 8752 1 16 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.891 0.852 25564 8753 1 16 . 1 1 96 96 GLU C C 96 178.926 178.926 176.708 2.218 25564 8754 1 16 . 1 1 96 96 GLU CA C 96 54.819 54.819 54.986 -0.167 25564 8755 1 16 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.806 0.719 25564 8756 1 16 . 1 1 96 96 GLU H H 96 8.913 8.913 8.771 0.142 25564 8757 1 16 . 1 1 97 97 THR N N 97 116.022 116.022 119.846 -3.824 25564 8758 1 16 . 1 1 97 97 THR HA H 97 4.344 4.344 4.440 -0.096 25564 8759 1 16 . 1 1 97 97 THR C C 97 176.660 176.660 175.783 0.877 25564 8760 1 16 . 1 1 97 97 THR CA C 97 61.453 61.453 62.633 -1.181 25564 8761 1 16 . 1 1 97 97 THR CB C 97 69.742 69.742 69.401 0.341 25564 8762 1 16 . 1 1 97 97 THR H H 97 8.740 8.740 8.853 -0.113 25564 8763 1 16 . 1 1 98 98 THR N N 98 110.068 110.068 121.632 -11.564 25564 8764 1 16 . 1 1 98 98 THR HA H 98 4.270 4.270 4.281 -0.011 25564 8765 1 16 . 1 1 98 98 THR C C 98 173.859 173.859 175.080 -1.221 25564 8766 1 16 . 1 1 98 98 THR CA C 98 62.659 62.659 64.050 -1.391 25564 8767 1 16 . 1 1 98 98 THR CB C 98 69.654 69.654 69.121 0.533 25564 8768 1 16 . 1 1 98 98 THR H H 98 7.287 7.287 8.739 -1.452 25564 8769 1 16 . 1 1 99 99 GLY N N 99 103.540 103.540 107.955 -4.415 25564 8770 1 16 . 1 1 99 99 GLY C C 99 174.225 174.225 173.111 1.114 25564 8771 1 16 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.441 0.514 25564 8772 1 16 . 1 1 99 99 GLY H H 99 8.033 8.033 8.023 0.010 25564 8773 1 16 . 1 1 100 100 THR N N 100 114.887 114.887 117.302 -2.415 25564 8774 1 16 . 1 1 100 100 THR HA H 100 4.623 4.623 4.692 -0.069 25564 8775 1 16 . 1 1 100 100 THR C C 100 172.336 172.336 173.476 -1.140 25564 8776 1 16 . 1 1 100 100 THR CA C 100 59.775 59.775 61.098 -1.323 25564 8777 1 16 . 1 1 100 100 THR CB C 100 70.644 70.644 69.153 1.490 25564 8778 1 16 . 1 1 100 100 THR H H 100 8.055 8.055 8.157 -0.102 25564 8779 1 16 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.413 0.086 25564 8780 1 16 . 1 1 101 101 PRO C C 101 177.344 177.344 176.218 1.126 25564 8781 1 16 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.514 -0.406 25564 8782 1 16 . 1 1 101 101 PRO CB C 101 32.286 32.286 30.780 1.506 25564 8783 1 16 . 1 1 102 102 ARG N N 102 122.476 122.476 122.787 -0.311 25564 8784 1 16 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.491 -0.177 25564 8785 1 16 . 1 1 102 102 ARG C C 102 176.790 176.790 175.839 0.951 25564 8786 1 16 . 1 1 102 102 ARG CA C 102 56.404 56.404 55.984 0.420 25564 8787 1 16 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.087 0.178 25564 8788 1 16 . 1 1 102 102 ARG H H 102 8.771 8.771 8.158 0.613 25564 8789 1 16 . 1 1 103 103 SER HA H 103 4.523 4.523 4.635 -0.112 25564 8790 1 16 . 1 1 103 103 SER CA C 103 58.311 58.311 57.829 0.482 25564 8791 1 16 . 1 1 103 103 SER CB C 103 64.168 64.168 63.321 0.847 25564 8792 1 16 . 1 1 104 104 ASP N N 104 122.461 122.461 125.156 -2.695 25564 8793 1 16 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.700 -0.052 25564 8794 1 16 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.303 0.263 25564 8795 1 16 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.588 -0.205 25564 8796 1 16 . 1 1 104 104 ASP H H 104 8.418 8.418 8.607 -0.189 25564 8797 1 16 . 1 1 105 105 GLY N N 105 109.250 109.250 111.121 -1.871 25564 8798 1 16 . 1 1 105 105 GLY C C 105 173.987 173.987 174.507 -0.520 25564 8799 1 16 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.358 0.415 25564 8800 1 16 . 1 1 105 105 GLY H H 105 8.390 8.390 8.886 -0.496 25564 8801 1 17 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.435 0.188 25564 8802 1 17 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.899 0.037 25564 8803 1 17 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.103 3.168 25564 8804 1 17 . 1 1 7 7 THR HA H 7 4.470 4.470 4.320 0.150 25564 8805 1 17 . 1 1 7 7 THR CA C 7 61.923 61.923 63.115 -1.192 25564 8806 1 17 . 1 1 7 7 THR CB C 7 70.142 70.142 69.067 1.075 25564 8807 1 17 . 1 1 8 8 THR N N 8 116.706 116.706 119.497 -2.791 25564 8808 1 17 . 1 1 8 8 THR HA H 8 4.371 4.371 4.435 -0.064 25564 8809 1 17 . 1 1 8 8 THR C C 8 173.590 173.590 172.892 0.698 25564 8810 1 17 . 1 1 8 8 THR CA C 8 61.606 61.606 61.737 -0.131 25564 8811 1 17 . 1 1 8 8 THR CB C 8 70.303 70.303 69.598 0.705 25564 8812 1 17 . 1 1 8 8 THR H H 8 8.238 8.238 7.774 0.464 25564 8813 1 17 . 1 1 9 9 ALA N N 9 127.030 127.030 129.820 -2.790 25564 8814 1 17 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.720 -0.427 25564 8815 1 17 . 1 1 9 9 ALA C C 9 175.005 175.005 174.860 0.145 25564 8816 1 17 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.868 0.945 25564 8817 1 17 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.745 -1.315 25564 8818 1 17 . 1 1 9 9 ALA H H 9 8.220 8.220 8.112 0.108 25564 8819 1 17 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.499 -0.170 25564 8820 1 17 . 1 1 10 10 PRO C C 10 175.138 175.138 175.563 -0.425 25564 8821 1 17 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.540 0.257 25564 8822 1 17 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.726 -0.889 25564 8823 1 17 . 1 1 11 11 ASP N N 11 116.244 116.244 121.357 -5.113 25564 8824 1 17 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.800 -0.390 25564 8825 1 17 . 1 1 11 11 ASP C C 11 174.009 174.009 175.852 -1.843 25564 8826 1 17 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.534 -0.151 25564 8827 1 17 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.014 -4.186 25564 8828 1 17 . 1 1 11 11 ASP H H 11 9.038 9.038 8.299 0.739 25564 8829 1 17 . 1 1 12 12 ALA N N 12 120.012 120.012 125.198 -5.186 25564 8830 1 17 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.386 0.081 25564 8831 1 17 . 1 1 12 12 ALA C C 12 175.669 175.669 175.383 0.286 25564 8832 1 17 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.768 -0.528 25564 8833 1 17 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.352 -0.442 25564 8834 1 17 . 1 1 12 12 ALA H H 12 7.944 7.944 8.186 -0.242 25564 8835 1 17 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.746 -0.257 25564 8836 1 17 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.915 -0.590 25564 8837 1 17 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.468 0.361 25564 8838 1 17 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.316 0.170 25564 8839 1 17 . 1 1 14 14 PRO C C 14 175.966 175.966 176.315 -0.349 25564 8840 1 17 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.681 0.314 25564 8841 1 17 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.435 0.194 25564 8842 1 17 . 1 1 15 15 ASP N N 15 117.405 117.405 121.277 -3.872 25564 8843 1 17 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.442 0.116 25564 8844 1 17 . 1 1 15 15 ASP C C 15 173.011 173.011 174.969 -1.958 25564 8845 1 17 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.961 -0.731 25564 8846 1 17 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.183 1.139 25564 8847 1 17 . 1 1 15 15 ASP H H 15 8.470 8.470 8.552 -0.082 25564 8848 1 17 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.680 0.672 25564 8849 1 17 . 1 1 16 16 PRO C C 16 177.534 177.534 176.508 1.026 25564 8850 1 17 . 1 1 16 16 PRO CA C 16 63.604 63.604 62.999 0.605 25564 8851 1 17 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.905 -1.421 25564 8852 1 17 . 1 1 17 17 THR N N 17 117.955 117.955 118.626 -0.671 25564 8853 1 17 . 1 1 17 17 THR HA H 17 4.563 4.563 4.600 -0.037 25564 8854 1 17 . 1 1 17 17 THR C C 17 172.578 172.578 174.021 -1.443 25564 8855 1 17 . 1 1 17 17 THR CA C 17 61.093 61.093 61.427 -0.334 25564 8856 1 17 . 1 1 17 17 THR CB C 17 72.478 72.478 70.559 1.919 25564 8857 1 17 . 1 1 17 17 THR H H 17 9.415 9.415 8.634 0.781 25564 8858 1 17 . 1 1 18 18 VAL N N 18 124.494 124.494 127.710 -3.216 25564 8859 1 17 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.197 0.175 25564 8860 1 17 . 1 1 18 18 VAL C C 18 175.392 175.392 175.820 -0.428 25564 8861 1 17 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.916 -0.066 25564 8862 1 17 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.475 -0.401 25564 8863 1 17 . 1 1 18 18 VAL H H 18 8.645 8.645 8.725 -0.080 25564 8864 1 17 . 1 1 19 19 ASP N N 19 129.904 129.904 127.944 1.960 25564 8865 1 17 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.585 0.138 25564 8866 1 17 . 1 1 19 19 ASP C C 19 175.427 175.427 175.681 -0.254 25564 8867 1 17 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.680 -0.777 25564 8868 1 17 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.029 2.241 25564 8869 1 17 . 1 1 19 19 ASP H H 19 8.805 8.805 8.688 0.117 25564 8870 1 17 . 1 1 20 20 GLN N N 20 115.835 115.835 118.718 -2.883 25564 8871 1 17 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.598 -0.148 25564 8872 1 17 . 1 1 20 20 GLN C C 20 173.593 173.593 174.068 -0.475 25564 8873 1 17 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.905 1.040 25564 8874 1 17 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.525 -0.536 25564 8875 1 17 . 1 1 20 20 GLN H H 20 7.431 7.431 7.861 -0.430 25564 8876 1 17 . 1 1 21 21 VAL N N 21 122.956 122.956 123.337 -0.381 25564 8877 1 17 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.208 0.511 25564 8878 1 17 . 1 1 21 21 VAL C C 21 173.753 173.753 174.681 -0.928 25564 8879 1 17 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.284 0.035 25564 8880 1 17 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.552 2.451 25564 8881 1 17 . 1 1 21 21 VAL H H 21 8.317 8.317 8.441 -0.124 25564 8882 1 17 . 1 1 22 22 ASP N N 22 129.722 129.722 127.228 2.494 25564 8883 1 17 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.212 -0.458 25564 8884 1 17 . 1 1 22 22 ASP C C 22 176.114 176.114 176.741 -0.627 25564 8885 1 17 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.311 1.328 25564 8886 1 17 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.679 -2.303 25564 8887 1 17 . 1 1 22 22 ASP H H 22 8.778 8.778 8.477 0.301 25564 8888 1 17 . 1 1 23 23 ASP N N 23 115.970 115.970 118.822 -2.852 25564 8889 1 17 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.442 0.192 25564 8890 1 17 . 1 1 23 23 ASP C C 23 175.820 175.820 176.442 -0.622 25564 8891 1 17 . 1 1 23 23 ASP CA C 23 56.327 56.327 56.822 -0.495 25564 8892 1 17 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.781 0.125 25564 8893 1 17 . 1 1 23 23 ASP H H 23 8.049 8.049 8.741 -0.692 25564 8894 1 17 . 1 1 24 24 THR N N 24 97.756 97.756 108.746 -10.990 25564 8895 1 17 . 1 1 24 24 THR HA H 24 4.566 4.566 4.477 0.089 25564 8896 1 17 . 1 1 24 24 THR C C 24 174.274 174.274 173.288 0.986 25564 8897 1 17 . 1 1 24 24 THR CA C 24 59.595 59.595 61.203 -1.608 25564 8898 1 17 . 1 1 24 24 THR CB C 24 71.670 71.670 68.928 2.742 25564 8899 1 17 . 1 1 24 24 THR H H 24 7.392 7.392 8.156 -0.764 25564 8900 1 17 . 1 1 25 25 SER N N 25 116.249 116.249 116.241 0.008 25564 8901 1 17 . 1 1 25 25 SER HA H 25 5.440 5.440 5.425 0.015 25564 8902 1 17 . 1 1 25 25 SER C C 25 171.891 171.891 172.432 -0.541 25564 8903 1 17 . 1 1 25 25 SER CA C 25 57.670 57.670 58.210 -0.540 25564 8904 1 17 . 1 1 25 25 SER CB C 25 67.439 67.439 66.129 1.310 25564 8905 1 17 . 1 1 25 25 SER H H 25 7.693 7.693 7.644 0.049 25564 8906 1 17 . 1 1 26 26 ILE N N 26 118.594 118.594 123.282 -4.688 25564 8907 1 17 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.811 -0.397 25564 8908 1 17 . 1 1 26 26 ILE C C 26 174.020 174.020 173.567 0.453 25564 8909 1 17 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.358 0.776 25564 8910 1 17 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.144 1.944 25564 8911 1 17 . 1 1 26 26 ILE H H 26 8.141 8.141 8.671 -0.530 25564 8912 1 17 . 1 1 27 27 VAL N N 27 126.778 126.778 124.437 2.341 25564 8913 1 17 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.251 -0.278 25564 8914 1 17 . 1 1 27 27 VAL C C 27 175.692 175.692 174.897 0.795 25564 8915 1 17 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.538 1.911 25564 8916 1 17 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.316 0.497 25564 8917 1 17 . 1 1 27 27 VAL H H 27 8.642 8.642 8.330 0.312 25564 8918 1 17 . 1 1 28 28 VAL N N 28 127.624 127.624 124.235 3.389 25564 8919 1 17 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.893 -0.033 25564 8920 1 17 . 1 1 28 28 VAL C C 28 173.467 173.467 173.967 -0.500 25564 8921 1 17 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.455 0.999 25564 8922 1 17 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.798 -0.846 25564 8923 1 17 . 1 1 28 28 VAL H H 28 8.656 8.656 8.906 -0.250 25564 8924 1 17 . 1 1 29 29 ARG N N 29 123.905 123.905 125.130 -1.225 25564 8925 1 17 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.940 -0.223 25564 8926 1 17 . 1 1 29 29 ARG C C 29 174.147 174.147 175.073 -0.926 25564 8927 1 17 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.623 0.243 25564 8928 1 17 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.790 1.401 25564 8929 1 17 . 1 1 29 29 ARG H H 29 9.075 9.075 8.422 0.653 25564 8930 1 17 . 1 1 30 30 TRP N N 30 116.284 116.284 123.959 -7.675 25564 8931 1 17 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.075 -0.229 25564 8932 1 17 . 1 1 30 30 TRP C C 30 174.778 174.778 175.251 -0.473 25564 8933 1 17 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.690 2.845 25564 8934 1 17 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.346 -1.048 25564 8935 1 17 . 1 1 30 30 TRP H H 30 7.512 7.512 8.034 -0.522 25564 8936 1 17 . 1 1 31 31 SER HA H 31 4.747 4.747 4.612 0.135 25564 8937 1 17 . 1 1 31 31 SER C C 31 172.773 172.773 174.466 -1.693 25564 8938 1 17 . 1 1 31 31 SER CA C 31 57.875 57.875 57.291 0.584 25564 8939 1 17 . 1 1 31 31 SER CB C 31 64.093 64.093 63.188 0.905 25564 8940 1 17 . 1 1 32 32 ARG N N 32 122.062 122.062 126.672 -4.610 25564 8941 1 17 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.688 0.191 25564 8942 1 17 . 1 1 32 32 ARG C C 32 175.788 175.788 175.053 0.735 25564 8943 1 17 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.123 -0.838 25564 8944 1 17 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.170 2.250 25564 8945 1 17 . 1 1 32 32 ARG H H 32 8.337 8.337 7.974 0.363 25564 8946 1 17 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.571 -0.095 25564 8947 1 17 . 1 1 33 33 PRO C C 33 175.739 175.739 176.723 -0.984 25564 8948 1 17 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.657 1.309 25564 8949 1 17 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.978 -0.003 25564 8950 1 17 . 1 1 34 34 GLN N N 34 122.510 122.510 120.599 1.911 25564 8951 1 17 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.208 -0.054 25564 8952 1 17 . 1 1 34 34 GLN C C 34 177.396 177.396 175.720 1.676 25564 8953 1 17 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.635 0.869 25564 8954 1 17 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.824 0.822 25564 8955 1 17 . 1 1 34 34 GLN H H 34 10.310 10.310 8.550 1.760 25564 8956 1 17 . 1 1 35 35 ALA N N 35 123.797 123.797 124.317 -0.520 25564 8957 1 17 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.371 0.107 25564 8958 1 17 . 1 1 35 35 ALA C C 35 174.959 174.959 175.529 -0.570 25564 8959 1 17 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.859 0.008 25564 8960 1 17 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.907 0.264 25564 8961 1 17 . 1 1 35 35 ALA H H 35 8.725 8.725 7.902 0.823 25564 8962 1 17 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.405 0.178 25564 8963 1 17 . 1 1 36 36 PRO C C 36 175.555 175.555 175.941 -0.386 25564 8964 1 17 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.387 -0.385 25564 8965 1 17 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.539 -1.564 25564 8966 1 17 . 1 1 37 37 ILE N N 37 114.656 114.656 118.774 -4.118 25564 8967 1 17 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.597 -0.197 25564 8968 1 17 . 1 1 37 37 ILE C C 37 176.204 176.204 175.743 0.461 25564 8969 1 17 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.328 1.783 25564 8970 1 17 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.838 0.804 25564 8971 1 17 . 1 1 37 37 ILE H H 37 7.946 7.946 7.896 0.050 25564 8972 1 17 . 1 1 38 38 THR N N 38 109.332 109.332 114.495 -5.163 25564 8973 1 17 . 1 1 38 38 THR HA H 38 4.576 4.576 4.713 -0.137 25564 8974 1 17 . 1 1 38 38 THR C C 38 175.325 175.325 175.457 -0.132 25564 8975 1 17 . 1 1 38 38 THR CA C 38 61.858 61.858 62.184 -0.326 25564 8976 1 17 . 1 1 38 38 THR CB C 38 69.971 69.971 70.714 -0.743 25564 8977 1 17 . 1 1 38 38 THR H H 38 9.767 9.767 9.059 0.708 25564 8978 1 17 . 1 1 39 39 GLY N N 39 109.326 109.326 109.658 -0.332 25564 8979 1 17 . 1 1 39 39 GLY C C 39 169.390 169.390 171.762 -2.372 25564 8980 1 17 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.982 -0.342 25564 8981 1 17 . 1 1 39 39 GLY H H 39 7.641 7.641 8.001 -0.360 25564 8982 1 17 . 1 1 40 40 TYR N N 40 113.638 113.638 118.194 -4.556 25564 8983 1 17 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.728 -0.376 25564 8984 1 17 . 1 1 40 40 TYR C C 40 174.719 174.719 175.088 -0.369 25564 8985 1 17 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.389 0.600 25564 8986 1 17 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.810 0.509 25564 8987 1 17 . 1 1 40 40 TYR H H 40 8.470 8.470 8.748 -0.278 25564 8988 1 17 . 1 1 41 41 ARG N N 41 125.140 125.140 121.885 3.255 25564 8989 1 17 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.364 -0.082 25564 8990 1 17 . 1 1 41 41 ARG C C 41 173.714 173.714 175.116 -1.402 25564 8991 1 17 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.767 2.002 25564 8992 1 17 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.723 1.978 25564 8993 1 17 . 1 1 41 41 ARG H H 41 9.148 9.148 8.943 0.205 25564 8994 1 17 . 1 1 42 42 ILE N N 42 126.999 126.999 122.286 4.713 25564 8995 1 17 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.126 0.216 25564 8996 1 17 . 1 1 42 42 ILE C C 42 174.706 174.706 174.999 -0.293 25564 8997 1 17 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.832 -2.049 25564 8998 1 17 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.624 -0.230 25564 8999 1 17 . 1 1 42 42 ILE H H 42 9.237 9.237 8.823 0.414 25564 9000 1 17 . 1 1 43 43 VAL N N 43 126.775 126.775 128.995 -2.220 25564 9001 1 17 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.902 0.446 25564 9002 1 17 . 1 1 43 43 VAL C C 43 175.795 175.795 175.505 0.290 25564 9003 1 17 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.140 -0.536 25564 9004 1 17 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.965 2.214 25564 9005 1 17 . 1 1 43 43 VAL H H 43 9.369 9.369 9.021 0.348 25564 9006 1 17 . 1 1 44 44 TYR N N 44 122.788 122.788 126.707 -3.919 25564 9007 1 17 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.934 0.310 25564 9008 1 17 . 1 1 44 44 TYR C C 44 174.353 174.353 175.092 -0.739 25564 9009 1 17 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.426 0.984 25564 9010 1 17 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.384 2.966 25564 9011 1 17 . 1 1 44 44 TYR H H 44 9.253 9.253 8.980 0.273 25564 9012 1 17 . 1 1 45 45 SER N N 45 114.339 114.339 117.504 -3.165 25564 9013 1 17 . 1 1 45 45 SER HA H 45 5.208 5.208 4.855 0.353 25564 9014 1 17 . 1 1 45 45 SER C C 45 171.693 171.693 172.099 -0.406 25564 9015 1 17 . 1 1 45 45 SER CA C 45 55.870 55.870 55.274 0.596 25564 9016 1 17 . 1 1 45 45 SER CB C 45 65.646 65.646 65.869 -0.223 25564 9017 1 17 . 1 1 45 45 SER H H 45 8.797 8.797 9.045 -0.248 25564 9018 1 17 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.790 -0.404 25564 9019 1 17 . 1 1 46 46 PRO C C 46 177.666 177.666 176.870 0.796 25564 9020 1 17 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.921 0.771 25564 9021 1 17 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.909 0.108 25564 9022 1 17 . 1 1 47 47 SER N N 47 118.732 118.732 118.563 0.169 25564 9023 1 17 . 1 1 47 47 SER HA H 47 4.069 4.069 4.274 -0.205 25564 9024 1 17 . 1 1 47 47 SER C C 47 175.055 175.055 175.473 -0.418 25564 9025 1 17 . 1 1 47 47 SER CA C 47 60.992 60.992 60.606 0.386 25564 9026 1 17 . 1 1 47 47 SER CB C 47 63.541 63.541 63.166 0.375 25564 9027 1 17 . 1 1 47 47 SER H H 47 8.648 8.648 8.658 -0.010 25564 9028 1 17 . 1 1 48 48 VAL N N 48 117.213 117.213 115.836 1.377 25564 9029 1 17 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.194 -0.112 25564 9030 1 17 . 1 1 48 48 VAL C C 48 175.456 175.456 175.272 0.184 25564 9031 1 17 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.146 0.841 25564 9032 1 17 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.680 0.189 25564 9033 1 17 . 1 1 48 48 VAL H H 48 7.640 7.640 7.705 -0.065 25564 9034 1 17 . 1 1 49 49 GLU N N 49 119.528 119.528 119.397 0.131 25564 9035 1 17 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.297 -0.149 25564 9036 1 17 . 1 1 49 49 GLU C C 49 176.081 176.081 174.431 1.650 25564 9037 1 17 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.889 0.285 25564 9038 1 17 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.472 -0.304 25564 9039 1 17 . 1 1 49 49 GLU H H 49 8.150 8.150 7.773 0.377 25564 9040 1 17 . 1 1 50 50 GLY N N 50 108.013 108.013 109.310 -1.297 25564 9041 1 17 . 1 1 50 50 GLY C C 50 173.617 173.617 173.473 0.144 25564 9042 1 17 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.554 0.856 25564 9043 1 17 . 1 1 50 50 GLY H H 50 8.144 8.144 8.130 0.014 25564 9044 1 17 . 1 1 51 51 SER N N 51 115.893 115.893 117.398 -1.505 25564 9045 1 17 . 1 1 51 51 SER HA H 51 4.604 4.604 4.598 0.006 25564 9046 1 17 . 1 1 51 51 SER CA C 51 58.145 58.145 59.175 -1.030 25564 9047 1 17 . 1 1 51 51 SER CB C 51 64.429 64.429 63.985 0.444 25564 9048 1 17 . 1 1 51 51 SER H H 51 8.248 8.248 8.503 -0.255 25564 9049 1 17 . 1 1 52 52 SER HA H 52 4.795 4.795 5.575 -0.780 25564 9050 1 17 . 1 1 52 52 SER C C 52 173.840 173.840 173.849 -0.009 25564 9051 1 17 . 1 1 52 52 SER CA C 52 58.319 58.319 57.555 0.764 25564 9052 1 17 . 1 1 52 52 SER CB C 52 65.231 65.231 66.355 -1.124 25564 9053 1 17 . 1 1 53 53 THR N N 53 121.052 121.052 119.067 1.985 25564 9054 1 17 . 1 1 53 53 THR HA H 53 4.294 4.294 4.416 -0.122 25564 9055 1 17 . 1 1 53 53 THR C C 53 171.241 171.241 171.771 -0.530 25564 9056 1 17 . 1 1 53 53 THR CA C 53 62.799 62.799 61.530 1.269 25564 9057 1 17 . 1 1 53 53 THR CB C 53 70.995 70.995 72.299 -1.304 25564 9058 1 17 . 1 1 53 53 THR H H 53 8.344 8.344 8.519 -0.175 25564 9059 1 17 . 1 1 54 54 GLU N N 54 125.190 125.190 126.016 -0.826 25564 9060 1 17 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.615 -0.001 25564 9061 1 17 . 1 1 54 54 GLU C C 54 175.175 175.175 175.431 -0.256 25564 9062 1 17 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.164 0.348 25564 9063 1 17 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.379 2.292 25564 9064 1 17 . 1 1 54 54 GLU H H 54 8.458 8.458 8.503 -0.045 25564 9065 1 17 . 1 1 55 55 LEU N N 55 125.745 125.745 126.572 -0.827 25564 9066 1 17 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.745 0.110 25564 9067 1 17 . 1 1 55 55 LEU C C 55 175.121 175.121 174.832 0.289 25564 9068 1 17 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.962 0.044 25564 9069 1 17 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.968 0.769 25564 9070 1 17 . 1 1 55 55 LEU H H 55 9.755 9.755 8.766 0.989 25564 9071 1 17 . 1 1 56 56 ASN N N 56 120.517 120.517 120.512 0.005 25564 9072 1 17 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.748 -0.184 25564 9073 1 17 . 1 1 56 56 ASN C C 56 174.180 174.180 174.095 0.085 25564 9074 1 17 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.286 0.989 25564 9075 1 17 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.966 1.485 25564 9076 1 17 . 1 1 56 56 ASN H H 56 8.727 8.727 8.518 0.209 25564 9077 1 17 . 1 1 57 57 LEU N N 57 123.534 123.534 126.237 -2.703 25564 9078 1 17 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.059 0.076 25564 9079 1 17 . 1 1 57 57 LEU C C 57 174.960 174.960 175.008 -0.048 25564 9080 1 17 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.562 0.563 25564 9081 1 17 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.343 0.465 25564 9082 1 17 . 1 1 57 57 LEU H H 57 9.075 9.075 8.712 0.363 25564 9083 1 17 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.590 0.465 25564 9084 1 17 . 1 1 58 58 PRO C C 58 176.897 176.897 178.401 -1.504 25564 9085 1 17 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.551 0.039 25564 9086 1 17 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.159 1.708 25564 9087 1 17 . 1 1 59 59 GLU N N 59 117.522 117.522 120.740 -3.218 25564 9088 1 17 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.171 -0.190 25564 9089 1 17 . 1 1 59 59 GLU C C 59 175.246 175.246 176.777 -1.531 25564 9090 1 17 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.869 -0.964 25564 9091 1 17 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.901 0.023 25564 9092 1 17 . 1 1 59 59 GLU H H 59 8.905 8.905 8.837 0.068 25564 9093 1 17 . 1 1 60 60 THR N N 60 106.153 106.153 112.047 -5.894 25564 9094 1 17 . 1 1 60 60 THR HA H 60 4.155 4.155 4.450 -0.295 25564 9095 1 17 . 1 1 60 60 THR C C 60 175.087 175.087 173.320 1.767 25564 9096 1 17 . 1 1 60 60 THR CA C 60 61.646 61.646 59.840 1.806 25564 9097 1 17 . 1 1 60 60 THR CB C 60 69.638 69.638 68.114 1.524 25564 9098 1 17 . 1 1 60 60 THR H H 60 7.056 7.056 7.859 -0.803 25564 9099 1 17 . 1 1 61 61 ALA N N 61 125.590 125.590 124.078 1.512 25564 9100 1 17 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.231 0.119 25564 9101 1 17 . 1 1 61 61 ALA C C 61 176.988 176.988 175.640 1.348 25564 9102 1 17 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.132 1.338 25564 9103 1 17 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.010 1.214 25564 9104 1 17 . 1 1 61 61 ALA H H 61 7.808 7.808 8.348 -0.540 25564 9105 1 17 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.741 -0.078 25564 9106 1 17 . 1 1 62 62 ASN C C 62 171.666 171.666 172.696 -1.030 25564 9107 1 17 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.004 0.174 25564 9108 1 17 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.007 -0.331 25564 9109 1 17 . 1 1 63 63 SER N N 63 109.802 109.802 113.756 -3.954 25564 9110 1 17 . 1 1 63 63 SER HA H 63 4.341 4.341 4.408 -0.067 25564 9111 1 17 . 1 1 63 63 SER C C 63 172.378 172.378 172.600 -0.222 25564 9112 1 17 . 1 1 63 63 SER CA C 63 56.541 56.541 57.200 -0.659 25564 9113 1 17 . 1 1 63 63 SER CB C 63 65.498 65.498 65.340 0.158 25564 9114 1 17 . 1 1 63 63 SER H H 63 6.764 6.764 6.689 0.075 25564 9115 1 17 . 1 1 64 64 VAL N N 64 117.873 117.873 122.568 -4.695 25564 9116 1 17 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.437 0.003 25564 9117 1 17 . 1 1 64 64 VAL C C 64 171.395 171.395 174.500 -3.105 25564 9118 1 17 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.252 1.492 25564 9119 1 17 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.379 -0.288 25564 9120 1 17 . 1 1 64 64 VAL H H 64 8.793 8.793 8.817 -0.024 25564 9121 1 17 . 1 1 65 65 THR N N 65 123.328 123.328 125.033 -1.705 25564 9122 1 17 . 1 1 65 65 THR HA H 65 4.703 4.703 4.598 0.105 25564 9123 1 17 . 1 1 65 65 THR C C 65 173.608 173.608 174.162 -0.554 25564 9124 1 17 . 1 1 65 65 THR CA C 65 62.094 62.094 62.221 -0.127 25564 9125 1 17 . 1 1 65 65 THR CB C 65 69.754 69.754 68.275 1.479 25564 9126 1 17 . 1 1 65 65 THR H H 65 8.377 8.377 8.494 -0.117 25564 9127 1 17 . 1 1 66 66 LEU N N 66 130.029 130.029 128.166 1.863 25564 9128 1 17 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.224 0.127 25564 9129 1 17 . 1 1 66 66 LEU C C 66 174.738 174.738 176.122 -1.384 25564 9130 1 17 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.606 -1.048 25564 9131 1 17 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.976 -0.770 25564 9132 1 17 . 1 1 66 66 LEU H H 66 9.232 9.232 8.660 0.572 25564 9133 1 17 . 1 1 67 67 SER N N 67 117.107 117.107 114.732 2.375 25564 9134 1 17 . 1 1 67 67 SER HA H 67 4.936 4.936 5.070 -0.134 25564 9135 1 17 . 1 1 67 67 SER C C 67 172.509 172.509 173.914 -1.405 25564 9136 1 17 . 1 1 67 67 SER CA C 67 57.340 57.340 56.951 0.389 25564 9137 1 17 . 1 1 67 67 SER CB C 67 66.115 66.115 66.061 0.053 25564 9138 1 17 . 1 1 67 67 SER H H 67 8.174 8.174 8.154 0.020 25564 9139 1 17 . 1 1 68 68 ASP N N 68 116.924 116.924 119.150 -2.226 25564 9140 1 17 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.329 0.025 25564 9141 1 17 . 1 1 68 68 ASP C C 68 175.654 175.654 175.391 0.263 25564 9142 1 17 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.768 -0.166 25564 9143 1 17 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.081 -0.367 25564 9144 1 17 . 1 1 68 68 ASP H H 68 9.003 9.003 8.281 0.722 25564 9145 1 17 . 1 1 69 69 LEU N N 69 116.713 116.713 116.123 0.590 25564 9146 1 17 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.188 0.148 25564 9147 1 17 . 1 1 69 69 LEU C C 69 175.793 175.793 177.015 -1.222 25564 9148 1 17 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.911 -1.364 25564 9149 1 17 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.607 -1.573 25564 9150 1 17 . 1 1 69 69 LEU H H 69 8.605 8.605 6.986 1.619 25564 9151 1 17 . 1 1 70 70 GLN N N 70 118.301 118.301 118.963 -0.662 25564 9152 1 17 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.817 -0.051 25564 9153 1 17 . 1 1 70 70 GLN C C 70 174.178 174.178 173.781 0.397 25564 9154 1 17 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.387 0.561 25564 9155 1 17 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.407 -0.781 25564 9156 1 17 . 1 1 70 70 GLN H H 70 8.288 8.288 8.376 -0.088 25564 9157 1 17 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.228 1.024 25564 9158 1 17 . 1 1 71 71 PRO C C 71 177.837 177.837 177.157 0.680 25564 9159 1 17 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.669 -0.571 25564 9160 1 17 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.411 1.982 25564 9161 1 17 . 1 1 72 72 GLY N N 72 111.077 111.077 112.576 -1.499 25564 9162 1 17 . 1 1 72 72 GLY C C 72 174.621 174.621 173.290 1.331 25564 9163 1 17 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.011 2.215 25564 9164 1 17 . 1 1 72 72 GLY H H 72 7.348 7.348 8.571 -1.223 25564 9165 1 17 . 1 1 73 73 VAL N N 73 120.434 120.434 118.636 1.798 25564 9166 1 17 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.480 -0.368 25564 9167 1 17 . 1 1 73 73 VAL C C 73 173.963 173.963 174.510 -0.547 25564 9168 1 17 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.669 1.026 25564 9169 1 17 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.560 -0.137 25564 9170 1 17 . 1 1 73 73 VAL H H 73 7.670 7.670 8.247 -0.577 25564 9171 1 17 . 1 1 74 74 GLN N N 74 123.606 123.606 124.006 -0.400 25564 9172 1 17 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.584 -0.377 25564 9173 1 17 . 1 1 74 74 GLN C C 74 174.283 174.283 174.542 -0.259 25564 9174 1 17 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.358 1.147 25564 9175 1 17 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.438 2.037 25564 9176 1 17 . 1 1 74 74 GLN H H 74 8.263 8.263 8.735 -0.472 25564 9177 1 17 . 1 1 75 75 TYR N N 75 127.153 127.153 128.083 -0.930 25564 9178 1 17 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.825 -0.085 25564 9179 1 17 . 1 1 75 75 TYR C C 75 174.412 174.412 174.648 -0.236 25564 9180 1 17 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.551 1.632 25564 9181 1 17 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.983 -0.102 25564 9182 1 17 . 1 1 75 75 TYR H H 75 8.916 8.916 9.251 -0.335 25564 9183 1 17 . 1 1 76 76 ASN N N 76 120.363 120.363 122.470 -2.107 25564 9184 1 17 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.178 0.015 25564 9185 1 17 . 1 1 76 76 ASN C C 76 174.903 174.903 174.391 0.512 25564 9186 1 17 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.089 -0.250 25564 9187 1 17 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.673 0.666 25564 9188 1 17 . 1 1 76 76 ASN H H 76 9.014 9.014 8.912 0.102 25564 9189 1 17 . 1 1 77 77 ILE N N 77 127.376 127.376 126.903 0.473 25564 9190 1 17 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.456 0.192 25564 9191 1 17 . 1 1 77 77 ILE C C 77 173.510 173.510 175.247 -1.737 25564 9192 1 17 . 1 1 77 77 ILE CA C 77 61.356 61.356 60.846 0.510 25564 9193 1 17 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.373 2.538 25564 9194 1 17 . 1 1 77 77 ILE H H 77 9.466 9.466 9.004 0.462 25564 9195 1 17 . 1 1 78 78 THR N N 78 124.282 124.282 126.710 -2.428 25564 9196 1 17 . 1 1 78 78 THR HA H 78 5.117 5.117 5.530 -0.413 25564 9197 1 17 . 1 1 78 78 THR C C 78 173.140 173.140 173.720 -0.580 25564 9198 1 17 . 1 1 78 78 THR CA C 78 61.961 61.961 60.757 1.204 25564 9199 1 17 . 1 1 78 78 THR CB C 78 70.244 70.244 69.731 0.513 25564 9200 1 17 . 1 1 78 78 THR H H 78 9.535 9.535 8.704 0.831 25564 9201 1 17 . 1 1 79 79 ILE N N 79 125.033 125.033 126.234 -1.201 25564 9202 1 17 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.131 0.460 25564 9203 1 17 . 1 1 79 79 ILE C C 79 173.827 173.827 174.768 -0.941 25564 9204 1 17 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.248 2.501 25564 9205 1 17 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.673 3.597 25564 9206 1 17 . 1 1 79 79 ILE H H 79 8.974 8.974 8.377 0.597 25564 9207 1 17 . 1 1 80 80 TYR N N 80 122.647 122.647 125.912 -3.265 25564 9208 1 17 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.593 -0.074 25564 9209 1 17 . 1 1 80 80 TYR C C 80 177.072 177.072 174.205 2.867 25564 9210 1 17 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.862 0.539 25564 9211 1 17 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.758 1.142 25564 9212 1 17 . 1 1 80 80 TYR H H 80 9.137 9.137 8.947 0.190 25564 9213 1 17 . 1 1 81 81 ALA N N 81 124.412 124.412 127.893 -3.481 25564 9214 1 17 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.412 1.341 25564 9215 1 17 . 1 1 81 81 ALA C C 81 175.811 175.811 175.406 0.405 25564 9216 1 17 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.975 0.682 25564 9217 1 17 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.877 2.439 25564 9218 1 17 . 1 1 81 81 ALA H H 81 8.764 8.764 8.829 -0.065 25564 9219 1 17 . 1 1 82 82 VAL N N 82 120.278 120.278 125.050 -4.772 25564 9220 1 17 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.550 0.063 25564 9221 1 17 . 1 1 82 82 VAL C C 82 174.662 174.662 174.145 0.517 25564 9222 1 17 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.021 1.158 25564 9223 1 17 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.206 -0.535 25564 9224 1 17 . 1 1 82 82 VAL H H 82 8.276 8.276 8.528 -0.252 25564 9225 1 17 . 1 1 83 83 GLU N N 83 127.125 127.125 128.594 -1.469 25564 9226 1 17 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.801 -0.264 25564 9227 1 17 . 1 1 83 83 GLU C C 83 175.133 175.133 176.087 -0.954 25564 9228 1 17 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.202 1.798 25564 9229 1 17 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.777 -1.061 25564 9230 1 17 . 1 1 83 83 GLU H H 83 8.849 8.849 8.859 -0.010 25564 9231 1 17 . 1 1 84 84 GLU N N 84 125.009 125.009 121.784 3.225 25564 9232 1 17 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.963 -0.281 25564 9233 1 17 . 1 1 84 84 GLU C C 84 174.988 174.988 177.037 -2.049 25564 9234 1 17 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.479 -0.117 25564 9235 1 17 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.532 -1.810 25564 9236 1 17 . 1 1 84 84 GLU H H 84 8.952 8.952 8.862 0.090 25564 9237 1 17 . 1 1 85 85 ASN N N 85 119.010 119.010 112.812 6.198 25564 9238 1 17 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.671 0.035 25564 9239 1 17 . 1 1 85 85 ASN C C 85 174.499 174.499 174.518 -0.019 25564 9240 1 17 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.350 0.603 25564 9241 1 17 . 1 1 85 85 ASN CB C 85 39.030 39.030 38.823 0.207 25564 9242 1 17 . 1 1 85 85 ASN H H 85 8.412 8.412 8.294 0.118 25564 9243 1 17 . 1 1 86 86 GLN N N 86 119.080 119.080 118.045 1.035 25564 9244 1 17 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.718 -0.115 25564 9245 1 17 . 1 1 86 86 GLN C C 86 174.270 174.270 173.564 0.706 25564 9246 1 17 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.525 0.767 25564 9247 1 17 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.572 0.439 25564 9248 1 17 . 1 1 86 86 GLN H H 86 8.086 8.086 7.502 0.584 25564 9249 1 17 . 1 1 87 87 GLU N N 87 120.589 120.589 118.909 1.680 25564 9250 1 17 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.781 0.433 25564 9251 1 17 . 1 1 87 87 GLU C C 87 176.092 176.092 176.079 0.013 25564 9252 1 17 . 1 1 87 87 GLU CA C 87 54.722 54.722 54.930 -0.208 25564 9253 1 17 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.933 0.782 25564 9254 1 17 . 1 1 87 87 GLU H H 87 8.498 8.498 8.582 -0.084 25564 9255 1 17 . 1 1 88 88 SER N N 88 116.013 116.013 117.978 -1.965 25564 9256 1 17 . 1 1 88 88 SER HA H 88 4.547 4.547 4.751 -0.204 25564 9257 1 17 . 1 1 88 88 SER C C 88 175.202 175.202 175.339 -0.137 25564 9258 1 17 . 1 1 88 88 SER CA C 88 58.211 58.211 58.476 -0.265 25564 9259 1 17 . 1 1 88 88 SER CB C 88 66.959 66.959 64.632 2.327 25564 9260 1 17 . 1 1 88 88 SER H H 88 8.954 8.954 8.648 0.306 25564 9261 1 17 . 1 1 89 89 THR N N 89 114.798 114.798 114.864 -0.066 25564 9262 1 17 . 1 1 89 89 THR HA H 89 4.520 4.520 4.362 0.158 25564 9263 1 17 . 1 1 89 89 THR C C 89 173.754 173.754 173.175 0.579 25564 9264 1 17 . 1 1 89 89 THR CA C 89 61.673 61.673 61.135 0.538 25564 9265 1 17 . 1 1 89 89 THR CB C 89 69.286 69.286 68.138 1.148 25564 9266 1 17 . 1 1 89 89 THR H H 89 8.559 8.559 8.171 0.388 25564 9267 1 17 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.496 -0.341 25564 9268 1 17 . 1 1 90 90 PRO C C 90 177.970 177.970 176.180 1.790 25564 9269 1 17 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.713 1.012 25564 9270 1 17 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.986 -0.583 25564 9271 1 17 . 1 1 91 91 VAL N N 91 120.679 120.679 124.496 -3.817 25564 9272 1 17 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.947 0.330 25564 9273 1 17 . 1 1 91 91 VAL C C 91 173.958 173.958 174.633 -0.675 25564 9274 1 17 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.519 -0.921 25564 9275 1 17 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.783 1.164 25564 9276 1 17 . 1 1 91 91 VAL H H 91 8.189 8.189 8.455 -0.266 25564 9277 1 17 . 1 1 92 92 VAL N N 92 125.593 125.593 127.912 -2.319 25564 9278 1 17 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.705 0.302 25564 9279 1 17 . 1 1 92 92 VAL C C 92 176.045 176.045 175.531 0.514 25564 9280 1 17 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.162 0.199 25564 9281 1 17 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.242 1.891 25564 9282 1 17 . 1 1 92 92 VAL H H 92 8.300 8.300 8.504 -0.204 25564 9283 1 17 . 1 1 93 93 ILE N N 93 127.733 127.733 124.555 3.178 25564 9284 1 17 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.697 -0.281 25564 9285 1 17 . 1 1 93 93 ILE C C 93 174.071 174.071 174.351 -0.280 25564 9286 1 17 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.751 0.088 25564 9287 1 17 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.535 2.697 25564 9288 1 17 . 1 1 93 93 ILE H H 93 9.471 9.471 8.935 0.536 25564 9289 1 17 . 1 1 94 94 GLN N N 94 123.610 123.610 126.530 -2.920 25564 9290 1 17 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.456 0.085 25564 9291 1 17 . 1 1 94 94 GLN C C 94 175.328 175.328 175.474 -0.146 25564 9292 1 17 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.107 0.475 25564 9293 1 17 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.632 1.397 25564 9294 1 17 . 1 1 94 94 GLN H H 94 8.522 8.522 8.715 -0.193 25564 9295 1 17 . 1 1 95 95 GLN N N 95 123.044 123.044 122.981 0.063 25564 9296 1 17 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.692 -0.182 25564 9297 1 17 . 1 1 95 95 GLN C C 95 173.530 173.530 174.181 -0.651 25564 9298 1 17 . 1 1 95 95 GLN CA C 95 54.922 54.922 53.869 1.053 25564 9299 1 17 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.534 -0.011 25564 9300 1 17 . 1 1 95 95 GLN H H 95 8.893 8.893 8.914 -0.021 25564 9301 1 17 . 1 1 96 96 GLU N N 96 128.881 128.881 122.190 6.691 25564 9302 1 17 . 1 1 96 96 GLU HA H 96 5.743 5.743 5.221 0.522 25564 9303 1 17 . 1 1 96 96 GLU C C 96 178.926 178.926 176.658 2.268 25564 9304 1 17 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.078 -0.259 25564 9305 1 17 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.156 0.369 25564 9306 1 17 . 1 1 96 96 GLU H H 96 8.913 8.913 8.688 0.225 25564 9307 1 17 . 1 1 97 97 THR N N 97 116.022 116.022 119.101 -3.079 25564 9308 1 17 . 1 1 97 97 THR HA H 97 4.344 4.344 4.246 0.098 25564 9309 1 17 . 1 1 97 97 THR C C 97 176.660 176.660 175.879 0.781 25564 9310 1 17 . 1 1 97 97 THR CA C 97 61.453 61.453 62.837 -1.384 25564 9311 1 17 . 1 1 97 97 THR CB C 97 69.742 69.742 69.172 0.570 25564 9312 1 17 . 1 1 97 97 THR H H 97 8.740 8.740 8.948 -0.208 25564 9313 1 17 . 1 1 98 98 THR N N 98 110.068 110.068 120.347 -10.279 25564 9314 1 17 . 1 1 98 98 THR HA H 98 4.270 4.270 4.164 0.106 25564 9315 1 17 . 1 1 98 98 THR C C 98 173.859 173.859 175.515 -1.656 25564 9316 1 17 . 1 1 98 98 THR CA C 98 62.659 62.659 63.681 -1.022 25564 9317 1 17 . 1 1 98 98 THR CB C 98 69.654 69.654 68.987 0.667 25564 9318 1 17 . 1 1 98 98 THR H H 98 7.287 7.287 8.656 -1.369 25564 9319 1 17 . 1 1 99 99 GLY N N 99 103.540 103.540 108.251 -4.711 25564 9320 1 17 . 1 1 99 99 GLY C C 99 174.225 174.225 172.609 1.616 25564 9321 1 17 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.325 0.630 25564 9322 1 17 . 1 1 99 99 GLY H H 99 8.033 8.033 7.182 0.851 25564 9323 1 17 . 1 1 100 100 THR N N 100 114.887 114.887 116.632 -1.745 25564 9324 1 17 . 1 1 100 100 THR HA H 100 4.623 4.623 4.725 -0.102 25564 9325 1 17 . 1 1 100 100 THR C C 100 172.336 172.336 173.271 -0.935 25564 9326 1 17 . 1 1 100 100 THR CA C 100 59.775 59.775 61.065 -1.290 25564 9327 1 17 . 1 1 100 100 THR CB C 100 70.644 70.644 68.786 1.858 25564 9328 1 17 . 1 1 100 100 THR H H 100 8.055 8.055 8.180 -0.125 25564 9329 1 17 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.295 0.204 25564 9330 1 17 . 1 1 101 101 PRO C C 101 177.344 177.344 176.375 0.969 25564 9331 1 17 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.576 -0.468 25564 9332 1 17 . 1 1 101 101 PRO CB C 101 32.286 32.286 30.994 1.292 25564 9333 1 17 . 1 1 102 102 ARG N N 102 122.476 122.476 122.554 -0.078 25564 9334 1 17 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.541 -0.227 25564 9335 1 17 . 1 1 102 102 ARG C C 102 176.790 176.790 177.372 -0.582 25564 9336 1 17 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.128 0.276 25564 9337 1 17 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.181 1.084 25564 9338 1 17 . 1 1 102 102 ARG H H 102 8.771 8.771 7.936 0.835 25564 9339 1 17 . 1 1 103 103 SER HA H 103 4.523 4.523 4.347 0.176 25564 9340 1 17 . 1 1 103 103 SER CA C 103 58.311 58.311 60.073 -1.762 25564 9341 1 17 . 1 1 103 103 SER CB C 103 64.168 64.168 62.820 1.348 25564 9342 1 17 . 1 1 104 104 ASP N N 104 122.461 122.461 119.910 2.551 25564 9343 1 17 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.716 -0.068 25564 9344 1 17 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.221 1.345 25564 9345 1 17 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.069 0.314 25564 9346 1 17 . 1 1 104 104 ASP H H 104 8.418 8.418 8.031 0.387 25564 9347 1 17 . 1 1 105 105 GLY N N 105 109.250 109.250 108.712 0.538 25564 9348 1 17 . 1 1 105 105 GLY C C 105 173.987 173.987 174.404 -0.417 25564 9349 1 17 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.856 0.917 25564 9350 1 17 . 1 1 105 105 GLY H H 105 8.390 8.390 7.490 0.900 25564 9351 1 18 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.679 -0.056 25564 9352 1 18 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.007 0.929 25564 9353 1 18 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.200 1.071 25564 9354 1 18 . 1 1 7 7 THR HA H 7 4.470 4.470 4.212 0.258 25564 9355 1 18 . 1 1 7 7 THR CA C 7 61.923 61.923 63.726 -1.803 25564 9356 1 18 . 1 1 7 7 THR CB C 7 70.142 70.142 69.197 0.945 25564 9357 1 18 . 1 1 8 8 THR N N 8 116.706 116.706 118.839 -2.133 25564 9358 1 18 . 1 1 8 8 THR HA H 8 4.371 4.371 4.443 -0.072 25564 9359 1 18 . 1 1 8 8 THR C C 8 173.590 173.590 172.821 0.769 25564 9360 1 18 . 1 1 8 8 THR CA C 8 61.606 61.606 61.525 0.081 25564 9361 1 18 . 1 1 8 8 THR CB C 8 70.303 70.303 70.242 0.061 25564 9362 1 18 . 1 1 8 8 THR H H 8 8.238 8.238 7.894 0.344 25564 9363 1 18 . 1 1 9 9 ALA N N 9 127.030 127.030 129.657 -2.627 25564 9364 1 18 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.705 -0.412 25564 9365 1 18 . 1 1 9 9 ALA C C 9 175.005 175.005 175.331 -0.326 25564 9366 1 18 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.158 1.655 25564 9367 1 18 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.070 -0.640 25564 9368 1 18 . 1 1 9 9 ALA H H 9 8.220 8.220 8.149 0.071 25564 9369 1 18 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.521 -0.192 25564 9370 1 18 . 1 1 10 10 PRO C C 10 175.138 175.138 175.705 -0.567 25564 9371 1 18 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.436 0.361 25564 9372 1 18 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.731 -0.894 25564 9373 1 18 . 1 1 11 11 ASP N N 11 116.244 116.244 120.242 -3.998 25564 9374 1 18 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.721 -0.311 25564 9375 1 18 . 1 1 11 11 ASP C C 11 174.009 174.009 175.882 -1.873 25564 9376 1 18 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.974 -0.591 25564 9377 1 18 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.532 -3.703 25564 9378 1 18 . 1 1 11 11 ASP H H 11 9.038 9.038 8.342 0.696 25564 9379 1 18 . 1 1 12 12 ALA N N 12 120.012 120.012 122.814 -2.802 25564 9380 1 18 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.609 -0.142 25564 9381 1 18 . 1 1 12 12 ALA C C 12 175.669 175.669 175.098 0.571 25564 9382 1 18 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.597 0.643 25564 9383 1 18 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.579 -0.669 25564 9384 1 18 . 1 1 12 12 ALA H H 12 7.944 7.944 8.132 -0.188 25564 9385 1 18 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.960 -0.470 25564 9386 1 18 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.697 -0.372 25564 9387 1 18 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.357 0.472 25564 9388 1 18 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.315 0.171 25564 9389 1 18 . 1 1 14 14 PRO C C 14 175.966 175.966 176.154 -0.188 25564 9390 1 18 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.860 0.135 25564 9391 1 18 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.434 0.195 25564 9392 1 18 . 1 1 15 15 ASP N N 15 117.405 117.405 121.280 -3.875 25564 9393 1 18 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.460 0.098 25564 9394 1 18 . 1 1 15 15 ASP C C 15 173.011 173.011 174.922 -1.911 25564 9395 1 18 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.749 -0.519 25564 9396 1 18 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.266 1.056 25564 9397 1 18 . 1 1 15 15 ASP H H 15 8.470 8.470 8.546 -0.076 25564 9398 1 18 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.651 0.701 25564 9399 1 18 . 1 1 16 16 PRO C C 16 177.534 177.534 176.624 0.910 25564 9400 1 18 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.150 0.454 25564 9401 1 18 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.802 -1.318 25564 9402 1 18 . 1 1 17 17 THR N N 17 117.955 117.955 119.066 -1.111 25564 9403 1 18 . 1 1 17 17 THR HA H 17 4.563 4.563 4.534 0.029 25564 9404 1 18 . 1 1 17 17 THR C C 17 172.578 172.578 174.031 -1.453 25564 9405 1 18 . 1 1 17 17 THR CA C 17 61.093 61.093 61.623 -0.530 25564 9406 1 18 . 1 1 17 17 THR CB C 17 72.478 72.478 70.137 2.341 25564 9407 1 18 . 1 1 17 17 THR H H 17 9.415 9.415 8.619 0.796 25564 9408 1 18 . 1 1 18 18 VAL N N 18 124.494 124.494 128.573 -4.079 25564 9409 1 18 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.148 0.224 25564 9410 1 18 . 1 1 18 18 VAL C C 18 175.392 175.392 176.003 -0.611 25564 9411 1 18 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.288 -0.438 25564 9412 1 18 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.892 0.182 25564 9413 1 18 . 1 1 18 18 VAL H H 18 8.645 8.645 8.736 -0.091 25564 9414 1 18 . 1 1 19 19 ASP N N 19 129.904 129.904 128.063 1.841 25564 9415 1 18 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.595 0.128 25564 9416 1 18 . 1 1 19 19 ASP C C 19 175.427 175.427 175.672 -0.245 25564 9417 1 18 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.816 -0.913 25564 9418 1 18 . 1 1 19 19 ASP CB C 19 44.271 44.271 41.953 2.317 25564 9419 1 18 . 1 1 19 19 ASP H H 19 8.805 8.805 8.498 0.307 25564 9420 1 18 . 1 1 20 20 GLN N N 20 115.835 115.835 118.506 -2.671 25564 9421 1 18 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.586 -0.136 25564 9422 1 18 . 1 1 20 20 GLN C C 20 173.593 173.593 173.968 -0.375 25564 9423 1 18 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.871 1.074 25564 9424 1 18 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.868 -0.879 25564 9425 1 18 . 1 1 20 20 GLN H H 20 7.431 7.431 7.643 -0.212 25564 9426 1 18 . 1 1 21 21 VAL N N 21 122.956 122.956 123.875 -0.919 25564 9427 1 18 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.275 0.444 25564 9428 1 18 . 1 1 21 21 VAL C C 21 173.753 173.753 174.916 -1.163 25564 9429 1 18 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.024 0.295 25564 9430 1 18 . 1 1 21 21 VAL CB C 21 35.003 35.003 32.921 2.082 25564 9431 1 18 . 1 1 21 21 VAL H H 21 8.317 8.317 8.467 -0.150 25564 9432 1 18 . 1 1 22 22 ASP N N 22 129.722 129.722 125.395 4.327 25564 9433 1 18 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.028 -0.274 25564 9434 1 18 . 1 1 22 22 ASP C C 22 176.114 176.114 176.268 -0.154 25564 9435 1 18 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.577 1.062 25564 9436 1 18 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.668 -2.291 25564 9437 1 18 . 1 1 22 22 ASP H H 22 8.778 8.778 8.175 0.603 25564 9438 1 18 . 1 1 23 23 ASP N N 23 115.970 115.970 119.294 -3.324 25564 9439 1 18 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.436 0.198 25564 9440 1 18 . 1 1 23 23 ASP C C 23 175.820 175.820 176.133 -0.313 25564 9441 1 18 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.209 -0.882 25564 9442 1 18 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.803 0.103 25564 9443 1 18 . 1 1 23 23 ASP H H 23 8.049 8.049 8.788 -0.739 25564 9444 1 18 . 1 1 24 24 THR N N 24 97.756 97.756 105.904 -8.148 25564 9445 1 18 . 1 1 24 24 THR HA H 24 4.566 4.566 4.503 0.063 25564 9446 1 18 . 1 1 24 24 THR C C 24 174.274 174.274 173.402 0.872 25564 9447 1 18 . 1 1 24 24 THR CA C 24 59.595 59.595 60.564 -0.969 25564 9448 1 18 . 1 1 24 24 THR CB C 24 71.670 71.670 69.275 2.395 25564 9449 1 18 . 1 1 24 24 THR H H 24 7.392 7.392 7.918 -0.526 25564 9450 1 18 . 1 1 25 25 SER N N 25 116.249 116.249 114.620 1.629 25564 9451 1 18 . 1 1 25 25 SER HA H 25 5.440 5.440 5.330 0.110 25564 9452 1 18 . 1 1 25 25 SER C C 25 171.891 171.891 172.315 -0.424 25564 9453 1 18 . 1 1 25 25 SER CA C 25 57.670 57.670 57.959 -0.289 25564 9454 1 18 . 1 1 25 25 SER CB C 25 67.439 67.439 65.723 1.716 25564 9455 1 18 . 1 1 25 25 SER H H 25 7.693 7.693 7.530 0.163 25564 9456 1 18 . 1 1 26 26 ILE N N 26 118.594 118.594 121.080 -2.486 25564 9457 1 18 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.780 -0.366 25564 9458 1 18 . 1 1 26 26 ILE C C 26 174.020 174.020 173.621 0.399 25564 9459 1 18 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.114 1.020 25564 9460 1 18 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.200 1.888 25564 9461 1 18 . 1 1 26 26 ILE H H 26 8.141 8.141 8.655 -0.514 25564 9462 1 18 . 1 1 27 27 VAL N N 27 126.778 126.778 122.635 4.143 25564 9463 1 18 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.220 -0.247 25564 9464 1 18 . 1 1 27 27 VAL C C 27 175.692 175.692 175.066 0.626 25564 9465 1 18 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.554 1.895 25564 9466 1 18 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.849 -0.036 25564 9467 1 18 . 1 1 27 27 VAL H H 27 8.642 8.642 8.636 0.006 25564 9468 1 18 . 1 1 28 28 VAL N N 28 127.624 127.624 122.296 5.328 25564 9469 1 18 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.940 -0.080 25564 9470 1 18 . 1 1 28 28 VAL C C 28 173.467 173.467 173.732 -0.265 25564 9471 1 18 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.327 1.127 25564 9472 1 18 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.816 -0.864 25564 9473 1 18 . 1 1 28 28 VAL H H 28 8.656 8.656 8.962 -0.306 25564 9474 1 18 . 1 1 29 29 ARG N N 29 123.905 123.905 124.263 -0.358 25564 9475 1 18 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.949 -0.232 25564 9476 1 18 . 1 1 29 29 ARG C C 29 174.147 174.147 175.199 -1.052 25564 9477 1 18 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.625 0.241 25564 9478 1 18 . 1 1 29 29 ARG CB C 29 34.191 34.191 33.032 1.159 25564 9479 1 18 . 1 1 29 29 ARG H H 29 9.075 9.075 8.423 0.652 25564 9480 1 18 . 1 1 30 30 TRP N N 30 116.284 116.284 123.730 -7.446 25564 9481 1 18 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.117 -0.271 25564 9482 1 18 . 1 1 30 30 TRP C C 30 174.778 174.778 175.297 -0.519 25564 9483 1 18 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.589 2.946 25564 9484 1 18 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.779 -0.481 25564 9485 1 18 . 1 1 30 30 TRP H H 30 7.512 7.512 8.225 -0.713 25564 9486 1 18 . 1 1 31 31 SER HA H 31 4.747 4.747 4.675 0.072 25564 9487 1 18 . 1 1 31 31 SER C C 31 172.773 172.773 174.390 -1.617 25564 9488 1 18 . 1 1 31 31 SER CA C 31 57.875 57.875 57.511 0.364 25564 9489 1 18 . 1 1 31 31 SER CB C 31 64.093 64.093 62.146 1.947 25564 9490 1 18 . 1 1 32 32 ARG N N 32 122.062 122.062 124.638 -2.576 25564 9491 1 18 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.733 0.146 25564 9492 1 18 . 1 1 32 32 ARG C C 32 175.788 175.788 174.676 1.112 25564 9493 1 18 . 1 1 32 32 ARG CA C 32 55.285 55.285 54.885 0.401 25564 9494 1 18 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.984 2.436 25564 9495 1 18 . 1 1 32 32 ARG H H 32 8.337 8.337 7.700 0.637 25564 9496 1 18 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.591 -0.115 25564 9497 1 18 . 1 1 33 33 PRO C C 33 175.739 175.739 177.028 -1.289 25564 9498 1 18 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.966 1.000 25564 9499 1 18 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.773 0.202 25564 9500 1 18 . 1 1 34 34 GLN N N 34 122.510 122.510 120.060 2.450 25564 9501 1 18 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.244 -0.090 25564 9502 1 18 . 1 1 34 34 GLN C C 34 177.396 177.396 175.587 1.809 25564 9503 1 18 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.238 1.265 25564 9504 1 18 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.719 0.927 25564 9505 1 18 . 1 1 34 34 GLN H H 34 10.310 10.310 8.541 1.769 25564 9506 1 18 . 1 1 35 35 ALA N N 35 123.797 123.797 123.807 -0.010 25564 9507 1 18 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.303 0.175 25564 9508 1 18 . 1 1 35 35 ALA C C 35 174.959 174.959 175.520 -0.561 25564 9509 1 18 . 1 1 35 35 ALA CA C 35 50.867 50.867 51.022 -0.155 25564 9510 1 18 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.551 0.619 25564 9511 1 18 . 1 1 35 35 ALA H H 35 8.725 8.725 7.754 0.971 25564 9512 1 18 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.431 0.152 25564 9513 1 18 . 1 1 36 36 PRO C C 36 175.555 175.555 175.654 -0.099 25564 9514 1 18 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.239 -0.237 25564 9515 1 18 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.360 -1.385 25564 9516 1 18 . 1 1 37 37 ILE N N 37 114.656 114.656 118.983 -4.327 25564 9517 1 18 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.603 -0.203 25564 9518 1 18 . 1 1 37 37 ILE C C 37 176.204 176.204 175.349 0.855 25564 9519 1 18 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.461 1.650 25564 9520 1 18 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.641 1.002 25564 9521 1 18 . 1 1 37 37 ILE H H 37 7.946 7.946 7.868 0.078 25564 9522 1 18 . 1 1 38 38 THR N N 38 109.332 109.332 114.697 -5.365 25564 9523 1 18 . 1 1 38 38 THR HA H 38 4.576 4.576 4.805 -0.229 25564 9524 1 18 . 1 1 38 38 THR C C 38 175.325 175.325 175.473 -0.148 25564 9525 1 18 . 1 1 38 38 THR CA C 38 61.858 61.858 62.255 -0.397 25564 9526 1 18 . 1 1 38 38 THR CB C 38 69.971 69.971 70.549 -0.578 25564 9527 1 18 . 1 1 38 38 THR H H 38 9.767 9.767 9.083 0.684 25564 9528 1 18 . 1 1 39 39 GLY N N 39 109.326 109.326 109.640 -0.314 25564 9529 1 18 . 1 1 39 39 GLY C C 39 169.390 169.390 171.743 -2.353 25564 9530 1 18 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.059 -0.419 25564 9531 1 18 . 1 1 39 39 GLY H H 39 7.641 7.641 7.995 -0.354 25564 9532 1 18 . 1 1 40 40 TYR N N 40 113.638 113.638 118.376 -4.738 25564 9533 1 18 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.735 -0.383 25564 9534 1 18 . 1 1 40 40 TYR C C 40 174.719 174.719 174.995 -0.276 25564 9535 1 18 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.433 0.556 25564 9536 1 18 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.957 0.362 25564 9537 1 18 . 1 1 40 40 TYR H H 40 8.470 8.470 8.736 -0.266 25564 9538 1 18 . 1 1 41 41 ARG N N 41 125.140 125.140 121.901 3.239 25564 9539 1 18 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.368 -0.086 25564 9540 1 18 . 1 1 41 41 ARG C C 41 173.714 173.714 175.020 -1.306 25564 9541 1 18 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.680 2.089 25564 9542 1 18 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.777 1.924 25564 9543 1 18 . 1 1 41 41 ARG H H 41 9.148 9.148 8.929 0.219 25564 9544 1 18 . 1 1 42 42 ILE N N 42 126.999 126.999 122.250 4.749 25564 9545 1 18 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.135 0.207 25564 9546 1 18 . 1 1 42 42 ILE C C 42 174.706 174.706 174.854 -0.148 25564 9547 1 18 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.828 -2.045 25564 9548 1 18 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.713 -0.319 25564 9549 1 18 . 1 1 42 42 ILE H H 42 9.237 9.237 8.863 0.374 25564 9550 1 18 . 1 1 43 43 VAL N N 43 126.775 126.775 128.467 -1.692 25564 9551 1 18 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.887 0.461 25564 9552 1 18 . 1 1 43 43 VAL C C 43 175.795 175.795 175.609 0.186 25564 9553 1 18 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.636 -0.032 25564 9554 1 18 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.710 2.469 25564 9555 1 18 . 1 1 43 43 VAL H H 43 9.369 9.369 9.030 0.339 25564 9556 1 18 . 1 1 44 44 TYR N N 44 122.788 122.788 125.277 -2.489 25564 9557 1 18 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.996 0.248 25564 9558 1 18 . 1 1 44 44 TYR C C 44 174.353 174.353 174.626 -0.273 25564 9559 1 18 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.462 0.947 25564 9560 1 18 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.063 3.287 25564 9561 1 18 . 1 1 44 44 TYR H H 44 9.253 9.253 8.888 0.365 25564 9562 1 18 . 1 1 45 45 SER N N 45 114.339 114.339 116.126 -1.787 25564 9563 1 18 . 1 1 45 45 SER HA H 45 5.208 5.208 5.118 0.090 25564 9564 1 18 . 1 1 45 45 SER C C 45 171.693 171.693 172.312 -0.619 25564 9565 1 18 . 1 1 45 45 SER CA C 45 55.870 55.870 55.367 0.503 25564 9566 1 18 . 1 1 45 45 SER CB C 45 65.646 65.646 65.429 0.217 25564 9567 1 18 . 1 1 45 45 SER H H 45 8.797 8.797 9.053 -0.256 25564 9568 1 18 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.744 -0.358 25564 9569 1 18 . 1 1 46 46 PRO C C 46 177.666 177.666 177.321 0.345 25564 9570 1 18 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.333 0.359 25564 9571 1 18 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.742 0.275 25564 9572 1 18 . 1 1 47 47 SER N N 47 118.732 118.732 117.548 1.184 25564 9573 1 18 . 1 1 47 47 SER HA H 47 4.069 4.069 4.263 -0.194 25564 9574 1 18 . 1 1 47 47 SER C C 47 175.055 175.055 175.083 -0.028 25564 9575 1 18 . 1 1 47 47 SER CA C 47 60.992 60.992 60.959 0.033 25564 9576 1 18 . 1 1 47 47 SER CB C 47 63.541 63.541 63.151 0.390 25564 9577 1 18 . 1 1 47 47 SER H H 47 8.648 8.648 8.373 0.275 25564 9578 1 18 . 1 1 48 48 VAL N N 48 117.213 117.213 118.153 -0.940 25564 9579 1 18 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.081 0.001 25564 9580 1 18 . 1 1 48 48 VAL C C 48 175.456 175.456 174.347 1.109 25564 9581 1 18 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.495 0.492 25564 9582 1 18 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.384 -0.515 25564 9583 1 18 . 1 1 48 48 VAL H H 48 7.640 7.640 7.598 0.042 25564 9584 1 18 . 1 1 49 49 GLU N N 49 119.528 119.528 118.662 0.866 25564 9585 1 18 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.306 -0.158 25564 9586 1 18 . 1 1 49 49 GLU C C 49 176.081 176.081 174.493 1.588 25564 9587 1 18 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.539 0.634 25564 9588 1 18 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.895 -0.727 25564 9589 1 18 . 1 1 49 49 GLU H H 49 8.150 8.150 7.790 0.360 25564 9590 1 18 . 1 1 50 50 GLY N N 50 108.013 108.013 110.341 -2.328 25564 9591 1 18 . 1 1 50 50 GLY C C 50 173.617 173.617 173.483 0.134 25564 9592 1 18 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.630 0.780 25564 9593 1 18 . 1 1 50 50 GLY H H 50 8.144 8.144 8.347 -0.203 25564 9594 1 18 . 1 1 51 51 SER N N 51 115.893 115.893 118.876 -2.983 25564 9595 1 18 . 1 1 51 51 SER HA H 51 4.604 4.604 4.432 0.172 25564 9596 1 18 . 1 1 51 51 SER CA C 51 58.145 58.145 59.326 -1.181 25564 9597 1 18 . 1 1 51 51 SER CB C 51 64.429 64.429 63.587 0.842 25564 9598 1 18 . 1 1 51 51 SER H H 51 8.248 8.248 8.614 -0.366 25564 9599 1 18 . 1 1 52 52 SER HA H 52 4.795 4.795 5.552 -0.757 25564 9600 1 18 . 1 1 52 52 SER C C 52 173.840 173.840 173.915 -0.075 25564 9601 1 18 . 1 1 52 52 SER CA C 52 58.319 58.319 57.242 1.077 25564 9602 1 18 . 1 1 52 52 SER CB C 52 65.231 65.231 66.340 -1.109 25564 9603 1 18 . 1 1 53 53 THR N N 53 121.052 121.052 119.859 1.193 25564 9604 1 18 . 1 1 53 53 THR HA H 53 4.294 4.294 4.473 -0.179 25564 9605 1 18 . 1 1 53 53 THR C C 53 171.241 171.241 171.791 -0.550 25564 9606 1 18 . 1 1 53 53 THR CA C 53 62.799 62.799 61.283 1.516 25564 9607 1 18 . 1 1 53 53 THR CB C 53 70.995 70.995 71.828 -0.833 25564 9608 1 18 . 1 1 53 53 THR H H 53 8.344 8.344 8.608 -0.264 25564 9609 1 18 . 1 1 54 54 GLU N N 54 125.190 125.190 125.756 -0.566 25564 9610 1 18 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.584 0.030 25564 9611 1 18 . 1 1 54 54 GLU C C 54 175.175 175.175 175.366 -0.191 25564 9612 1 18 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.225 0.287 25564 9613 1 18 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.901 1.770 25564 9614 1 18 . 1 1 54 54 GLU H H 54 8.458 8.458 8.457 0.001 25564 9615 1 18 . 1 1 55 55 LEU N N 55 125.745 125.745 125.970 -0.225 25564 9616 1 18 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.711 0.144 25564 9617 1 18 . 1 1 55 55 LEU C C 55 175.121 175.121 175.161 -0.040 25564 9618 1 18 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.690 0.316 25564 9619 1 18 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.045 0.691 25564 9620 1 18 . 1 1 55 55 LEU H H 55 9.755 9.755 8.762 0.993 25564 9621 1 18 . 1 1 56 56 ASN N N 56 120.517 120.517 120.411 0.106 25564 9622 1 18 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.520 0.044 25564 9623 1 18 . 1 1 56 56 ASN C C 56 174.180 174.180 174.107 0.073 25564 9624 1 18 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.280 0.995 25564 9625 1 18 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.025 1.426 25564 9626 1 18 . 1 1 56 56 ASN H H 56 8.727 8.727 8.523 0.204 25564 9627 1 18 . 1 1 57 57 LEU N N 57 123.534 123.534 126.259 -2.725 25564 9628 1 18 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.057 0.078 25564 9629 1 18 . 1 1 57 57 LEU C C 57 174.960 174.960 174.994 -0.034 25564 9630 1 18 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.520 0.605 25564 9631 1 18 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.437 0.371 25564 9632 1 18 . 1 1 57 57 LEU H H 57 9.075 9.075 8.718 0.357 25564 9633 1 18 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.622 0.433 25564 9634 1 18 . 1 1 58 58 PRO C C 58 176.897 176.897 178.303 -1.406 25564 9635 1 18 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.434 0.155 25564 9636 1 18 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.245 1.622 25564 9637 1 18 . 1 1 59 59 GLU N N 59 117.522 117.522 120.473 -2.951 25564 9638 1 18 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.152 -0.171 25564 9639 1 18 . 1 1 59 59 GLU C C 59 175.246 175.246 176.658 -1.412 25564 9640 1 18 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.689 -0.784 25564 9641 1 18 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.891 0.033 25564 9642 1 18 . 1 1 59 59 GLU H H 59 8.905 8.905 8.783 0.122 25564 9643 1 18 . 1 1 60 60 THR N N 60 106.153 106.153 111.625 -5.472 25564 9644 1 18 . 1 1 60 60 THR HA H 60 4.155 4.155 4.411 -0.256 25564 9645 1 18 . 1 1 60 60 THR C C 60 175.087 175.087 173.790 1.297 25564 9646 1 18 . 1 1 60 60 THR CA C 60 61.646 61.646 60.303 1.343 25564 9647 1 18 . 1 1 60 60 THR CB C 60 69.638 69.638 68.034 1.604 25564 9648 1 18 . 1 1 60 60 THR H H 60 7.056 7.056 7.909 -0.853 25564 9649 1 18 . 1 1 61 61 ALA N N 61 125.590 125.590 123.943 1.647 25564 9650 1 18 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.275 0.075 25564 9651 1 18 . 1 1 61 61 ALA C C 61 176.988 176.988 176.131 0.857 25564 9652 1 18 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.620 1.850 25564 9653 1 18 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.189 1.035 25564 9654 1 18 . 1 1 61 61 ALA H H 61 7.808 7.808 8.117 -0.309 25564 9655 1 18 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.793 -0.130 25564 9656 1 18 . 1 1 62 62 ASN C C 62 171.666 171.666 172.611 -0.945 25564 9657 1 18 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.223 -0.045 25564 9658 1 18 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.289 -0.613 25564 9659 1 18 . 1 1 63 63 SER N N 63 109.802 109.802 113.573 -3.771 25564 9660 1 18 . 1 1 63 63 SER HA H 63 4.341 4.341 4.496 -0.155 25564 9661 1 18 . 1 1 63 63 SER C C 63 172.378 172.378 172.387 -0.009 25564 9662 1 18 . 1 1 63 63 SER CA C 63 56.541 56.541 57.341 -0.800 25564 9663 1 18 . 1 1 63 63 SER CB C 63 65.498 65.498 65.314 0.184 25564 9664 1 18 . 1 1 63 63 SER H H 63 6.764 6.764 6.722 0.042 25564 9665 1 18 . 1 1 64 64 VAL N N 64 117.873 117.873 121.671 -3.798 25564 9666 1 18 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.473 -0.033 25564 9667 1 18 . 1 1 64 64 VAL C C 64 171.395 171.395 174.267 -2.872 25564 9668 1 18 . 1 1 64 64 VAL CA C 64 60.744 60.744 60.192 0.552 25564 9669 1 18 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.970 -0.879 25564 9670 1 18 . 1 1 64 64 VAL H H 64 8.793 8.793 8.777 0.016 25564 9671 1 18 . 1 1 65 65 THR N N 65 123.328 123.328 124.997 -1.669 25564 9672 1 18 . 1 1 65 65 THR HA H 65 4.703 4.703 4.525 0.178 25564 9673 1 18 . 1 1 65 65 THR C C 65 173.608 173.608 174.128 -0.520 25564 9674 1 18 . 1 1 65 65 THR CA C 65 62.094 62.094 62.680 -0.586 25564 9675 1 18 . 1 1 65 65 THR CB C 65 69.754 69.754 68.431 1.323 25564 9676 1 18 . 1 1 65 65 THR H H 65 8.377 8.377 8.524 -0.147 25564 9677 1 18 . 1 1 66 66 LEU N N 66 130.029 130.029 129.883 0.146 25564 9678 1 18 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.106 0.245 25564 9679 1 18 . 1 1 66 66 LEU C C 66 174.738 174.738 176.473 -1.735 25564 9680 1 18 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.581 -1.023 25564 9681 1 18 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.540 -0.334 25564 9682 1 18 . 1 1 66 66 LEU H H 66 9.232 9.232 8.584 0.648 25564 9683 1 18 . 1 1 67 67 SER N N 67 117.107 117.107 115.081 2.026 25564 9684 1 18 . 1 1 67 67 SER HA H 67 4.936 4.936 5.107 -0.171 25564 9685 1 18 . 1 1 67 67 SER C C 67 172.509 172.509 174.405 -1.896 25564 9686 1 18 . 1 1 67 67 SER CA C 67 57.340 57.340 56.871 0.469 25564 9687 1 18 . 1 1 67 67 SER CB C 67 66.115 66.115 67.107 -0.992 25564 9688 1 18 . 1 1 67 67 SER H H 67 8.174 8.174 8.382 -0.208 25564 9689 1 18 . 1 1 68 68 ASP N N 68 116.924 116.924 118.977 -2.053 25564 9690 1 18 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.416 -0.062 25564 9691 1 18 . 1 1 68 68 ASP C C 68 175.654 175.654 174.931 0.723 25564 9692 1 18 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.614 -0.011 25564 9693 1 18 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.801 -0.087 25564 9694 1 18 . 1 1 68 68 ASP H H 68 9.003 9.003 8.355 0.648 25564 9695 1 18 . 1 1 69 69 LEU N N 69 116.713 116.713 115.768 0.945 25564 9696 1 18 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.332 0.004 25564 9697 1 18 . 1 1 69 69 LEU C C 69 175.793 175.793 176.212 -0.419 25564 9698 1 18 . 1 1 69 69 LEU CA C 69 53.547 53.547 53.377 0.170 25564 9699 1 18 . 1 1 69 69 LEU CB C 69 41.034 41.034 43.437 -2.403 25564 9700 1 18 . 1 1 69 69 LEU H H 69 8.605 8.605 7.344 1.261 25564 9701 1 18 . 1 1 70 70 GLN N N 70 118.301 118.301 117.374 0.927 25564 9702 1 18 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.846 -0.080 25564 9703 1 18 . 1 1 70 70 GLN C C 70 174.178 174.178 173.685 0.493 25564 9704 1 18 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.829 0.119 25564 9705 1 18 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.305 -0.679 25564 9706 1 18 . 1 1 70 70 GLN H H 70 8.288 8.288 8.521 -0.233 25564 9707 1 18 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.231 1.021 25564 9708 1 18 . 1 1 71 71 PRO C C 71 177.837 177.837 177.542 0.295 25564 9709 1 18 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.779 -0.681 25564 9710 1 18 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.610 1.783 25564 9711 1 18 . 1 1 72 72 GLY N N 72 111.077 111.077 111.152 -0.075 25564 9712 1 18 . 1 1 72 72 GLY C C 72 174.621 174.621 173.413 1.208 25564 9713 1 18 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.391 1.835 25564 9714 1 18 . 1 1 72 72 GLY H H 72 7.348 7.348 8.381 -1.033 25564 9715 1 18 . 1 1 73 73 VAL N N 73 120.434 120.434 119.084 1.350 25564 9716 1 18 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.360 -0.248 25564 9717 1 18 . 1 1 73 73 VAL C C 73 173.963 173.963 174.436 -0.473 25564 9718 1 18 . 1 1 73 73 VAL CA C 73 61.694 61.694 61.174 0.520 25564 9719 1 18 . 1 1 73 73 VAL CB C 73 35.423 35.423 36.094 -0.672 25564 9720 1 18 . 1 1 73 73 VAL H H 73 7.670 7.670 8.208 -0.538 25564 9721 1 18 . 1 1 74 74 GLN N N 74 123.606 123.606 125.903 -2.297 25564 9722 1 18 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.551 -0.344 25564 9723 1 18 . 1 1 74 74 GLN C C 74 174.283 174.283 174.852 -0.569 25564 9724 1 18 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.483 1.022 25564 9725 1 18 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.945 1.530 25564 9726 1 18 . 1 1 74 74 GLN H H 74 8.263 8.263 8.684 -0.421 25564 9727 1 18 . 1 1 75 75 TYR N N 75 127.153 127.153 127.967 -0.814 25564 9728 1 18 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.610 0.130 25564 9729 1 18 . 1 1 75 75 TYR C C 75 174.412 174.412 174.383 0.029 25564 9730 1 18 . 1 1 75 75 TYR CA C 75 59.183 59.183 58.286 0.897 25564 9731 1 18 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.149 -0.268 25564 9732 1 18 . 1 1 75 75 TYR H H 75 8.916 8.916 9.007 -0.091 25564 9733 1 18 . 1 1 76 76 ASN N N 76 120.363 120.363 123.225 -2.862 25564 9734 1 18 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.116 0.077 25564 9735 1 18 . 1 1 76 76 ASN C C 76 174.903 174.903 174.412 0.491 25564 9736 1 18 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.412 -0.573 25564 9737 1 18 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.364 0.975 25564 9738 1 18 . 1 1 76 76 ASN H H 76 9.014 9.014 8.850 0.164 25564 9739 1 18 . 1 1 77 77 ILE N N 77 127.376 127.376 127.225 0.151 25564 9740 1 18 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.437 0.211 25564 9741 1 18 . 1 1 77 77 ILE C C 77 173.510 173.510 175.210 -1.700 25564 9742 1 18 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.148 0.208 25564 9743 1 18 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.185 2.726 25564 9744 1 18 . 1 1 77 77 ILE H H 77 9.466 9.466 8.970 0.496 25564 9745 1 18 . 1 1 78 78 THR N N 78 124.282 124.282 126.815 -2.533 25564 9746 1 18 . 1 1 78 78 THR HA H 78 5.117 5.117 5.520 -0.403 25564 9747 1 18 . 1 1 78 78 THR C C 78 173.140 173.140 173.750 -0.610 25564 9748 1 18 . 1 1 78 78 THR CA C 78 61.961 61.961 60.812 1.149 25564 9749 1 18 . 1 1 78 78 THR CB C 78 70.244 70.244 69.770 0.474 25564 9750 1 18 . 1 1 78 78 THR H H 78 9.535 9.535 8.742 0.793 25564 9751 1 18 . 1 1 79 79 ILE N N 79 125.033 125.033 126.236 -1.203 25564 9752 1 18 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.168 0.423 25564 9753 1 18 . 1 1 79 79 ILE C C 79 173.827 173.827 174.726 -0.899 25564 9754 1 18 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.284 2.464 25564 9755 1 18 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.814 3.456 25564 9756 1 18 . 1 1 79 79 ILE H H 79 8.974 8.974 8.370 0.604 25564 9757 1 18 . 1 1 80 80 TYR N N 80 122.647 122.647 125.295 -2.648 25564 9758 1 18 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.610 -0.091 25564 9759 1 18 . 1 1 80 80 TYR C C 80 177.072 177.072 173.939 3.133 25564 9760 1 18 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.588 0.813 25564 9761 1 18 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.139 0.761 25564 9762 1 18 . 1 1 80 80 TYR H H 80 9.137 9.137 8.921 0.216 25564 9763 1 18 . 1 1 81 81 ALA N N 81 124.412 124.412 128.810 -4.398 25564 9764 1 18 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.365 1.388 25564 9765 1 18 . 1 1 81 81 ALA C C 81 175.811 175.811 175.318 0.493 25564 9766 1 18 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.892 0.765 25564 9767 1 18 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.801 2.515 25564 9768 1 18 . 1 1 81 81 ALA H H 81 8.764 8.764 8.635 0.129 25564 9769 1 18 . 1 1 82 82 VAL N N 82 120.278 120.278 124.790 -4.512 25564 9770 1 18 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.407 0.206 25564 9771 1 18 . 1 1 82 82 VAL C C 82 174.662 174.662 174.340 0.322 25564 9772 1 18 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.885 0.294 25564 9773 1 18 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.167 -0.496 25564 9774 1 18 . 1 1 82 82 VAL H H 82 8.276 8.276 8.489 -0.213 25564 9775 1 18 . 1 1 83 83 GLU N N 83 127.125 127.125 127.964 -0.839 25564 9776 1 18 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.622 -0.085 25564 9777 1 18 . 1 1 83 83 GLU C C 83 175.133 175.133 175.972 -0.839 25564 9778 1 18 . 1 1 83 83 GLU CA C 83 56.000 56.000 53.799 2.201 25564 9779 1 18 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.855 -0.139 25564 9780 1 18 . 1 1 83 83 GLU H H 83 8.849 8.849 8.879 -0.030 25564 9781 1 18 . 1 1 84 84 GLU N N 84 125.009 125.009 122.125 2.884 25564 9782 1 18 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.991 -0.309 25564 9783 1 18 . 1 1 84 84 GLU C C 84 174.988 174.988 176.997 -2.009 25564 9784 1 18 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.281 0.081 25564 9785 1 18 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.799 -2.077 25564 9786 1 18 . 1 1 84 84 GLU H H 84 8.952 8.952 8.607 0.345 25564 9787 1 18 . 1 1 85 85 ASN N N 85 119.010 119.010 115.534 3.476 25564 9788 1 18 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.779 -0.073 25564 9789 1 18 . 1 1 85 85 ASN C C 85 174.499 174.499 174.324 0.175 25564 9790 1 18 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.715 0.238 25564 9791 1 18 . 1 1 85 85 ASN CB C 85 39.030 39.030 40.374 -1.344 25564 9792 1 18 . 1 1 85 85 ASN H H 85 8.412 8.412 8.382 0.030 25564 9793 1 18 . 1 1 86 86 GLN N N 86 119.080 119.080 117.534 1.546 25564 9794 1 18 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.744 -0.140 25564 9795 1 18 . 1 1 86 86 GLN C C 86 174.270 174.270 173.534 0.736 25564 9796 1 18 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.411 0.881 25564 9797 1 18 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.910 0.101 25564 9798 1 18 . 1 1 86 86 GLN H H 86 8.086 8.086 7.733 0.353 25564 9799 1 18 . 1 1 87 87 GLU N N 87 120.589 120.589 119.237 1.352 25564 9800 1 18 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.908 0.306 25564 9801 1 18 . 1 1 87 87 GLU C C 87 176.092 176.092 176.134 -0.042 25564 9802 1 18 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.106 -0.384 25564 9803 1 18 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.230 0.485 25564 9804 1 18 . 1 1 87 87 GLU H H 87 8.498 8.498 8.581 -0.083 25564 9805 1 18 . 1 1 88 88 SER N N 88 116.013 116.013 120.582 -4.569 25564 9806 1 18 . 1 1 88 88 SER HA H 88 4.547 4.547 4.387 0.160 25564 9807 1 18 . 1 1 88 88 SER C C 88 175.202 175.202 175.377 -0.175 25564 9808 1 18 . 1 1 88 88 SER CA C 88 58.211 58.211 59.223 -1.012 25564 9809 1 18 . 1 1 88 88 SER CB C 88 66.959 66.959 64.093 2.866 25564 9810 1 18 . 1 1 88 88 SER H H 88 8.954 8.954 8.774 0.180 25564 9811 1 18 . 1 1 89 89 THR N N 89 114.798 114.798 114.615 0.183 25564 9812 1 18 . 1 1 89 89 THR HA H 89 4.520 4.520 4.308 0.212 25564 9813 1 18 . 1 1 89 89 THR C C 89 173.754 173.754 172.997 0.757 25564 9814 1 18 . 1 1 89 89 THR CA C 89 61.673 61.673 61.393 0.280 25564 9815 1 18 . 1 1 89 89 THR CB C 89 69.286 69.286 68.104 1.182 25564 9816 1 18 . 1 1 89 89 THR H H 89 8.559 8.559 8.408 0.151 25564 9817 1 18 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.508 -0.353 25564 9818 1 18 . 1 1 90 90 PRO C C 90 177.970 177.970 176.221 1.749 25564 9819 1 18 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.559 1.166 25564 9820 1 18 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.888 -0.485 25564 9821 1 18 . 1 1 91 91 VAL N N 91 120.679 120.679 123.581 -2.902 25564 9822 1 18 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.010 0.267 25564 9823 1 18 . 1 1 91 91 VAL C C 91 173.958 173.958 174.927 -0.969 25564 9824 1 18 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.598 -1.000 25564 9825 1 18 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.681 1.266 25564 9826 1 18 . 1 1 91 91 VAL H H 91 8.189 8.189 8.431 -0.242 25564 9827 1 18 . 1 1 92 92 VAL N N 92 125.593 125.593 128.069 -2.476 25564 9828 1 18 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.682 0.325 25564 9829 1 18 . 1 1 92 92 VAL C C 92 176.045 176.045 175.293 0.752 25564 9830 1 18 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.121 0.240 25564 9831 1 18 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.192 1.942 25564 9832 1 18 . 1 1 92 92 VAL H H 92 8.300 8.300 8.362 -0.062 25564 9833 1 18 . 1 1 93 93 ILE N N 93 127.733 127.733 124.345 3.388 25564 9834 1 18 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.690 -0.274 25564 9835 1 18 . 1 1 93 93 ILE C C 93 174.071 174.071 174.519 -0.448 25564 9836 1 18 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.710 0.128 25564 9837 1 18 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.355 2.877 25564 9838 1 18 . 1 1 93 93 ILE H H 93 9.471 9.471 8.970 0.501 25564 9839 1 18 . 1 1 94 94 GLN N N 94 123.610 123.610 127.130 -3.520 25564 9840 1 18 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.113 0.428 25564 9841 1 18 . 1 1 94 94 GLN C C 94 175.328 175.328 175.265 0.063 25564 9842 1 18 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.497 0.085 25564 9843 1 18 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.806 2.223 25564 9844 1 18 . 1 1 94 94 GLN H H 94 8.522 8.522 8.684 -0.162 25564 9845 1 18 . 1 1 95 95 GLN N N 95 123.044 123.044 124.508 -1.464 25564 9846 1 18 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.626 -0.116 25564 9847 1 18 . 1 1 95 95 GLN C C 95 173.530 173.530 174.165 -0.635 25564 9848 1 18 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.400 0.522 25564 9849 1 18 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.813 -0.290 25564 9850 1 18 . 1 1 95 95 GLN H H 95 8.893 8.893 8.981 -0.088 25564 9851 1 18 . 1 1 96 96 GLU N N 96 128.881 128.881 126.987 1.894 25564 9852 1 18 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.753 0.990 25564 9853 1 18 . 1 1 96 96 GLU C C 96 178.926 178.926 176.565 2.361 25564 9854 1 18 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.068 -0.249 25564 9855 1 18 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.955 0.570 25564 9856 1 18 . 1 1 96 96 GLU H H 96 8.913 8.913 8.790 0.123 25564 9857 1 18 . 1 1 97 97 THR N N 97 116.022 116.022 119.973 -3.951 25564 9858 1 18 . 1 1 97 97 THR HA H 97 4.344 4.344 4.222 0.122 25564 9859 1 18 . 1 1 97 97 THR C C 97 176.660 176.660 175.297 1.363 25564 9860 1 18 . 1 1 97 97 THR CA C 97 61.453 61.453 63.041 -1.588 25564 9861 1 18 . 1 1 97 97 THR CB C 97 69.742 69.742 69.238 0.504 25564 9862 1 18 . 1 1 97 97 THR H H 97 8.740 8.740 8.693 0.047 25564 9863 1 18 . 1 1 98 98 THR N N 98 110.068 110.068 120.794 -10.726 25564 9864 1 18 . 1 1 98 98 THR HA H 98 4.270 4.270 4.108 0.162 25564 9865 1 18 . 1 1 98 98 THR C C 98 173.859 173.859 175.586 -1.727 25564 9866 1 18 . 1 1 98 98 THR CA C 98 62.659 62.659 65.002 -2.343 25564 9867 1 18 . 1 1 98 98 THR CB C 98 69.654 69.654 69.112 0.542 25564 9868 1 18 . 1 1 98 98 THR H H 98 7.287 7.287 8.668 -1.381 25564 9869 1 18 . 1 1 99 99 GLY N N 99 103.540 103.540 109.706 -6.166 25564 9870 1 18 . 1 1 99 99 GLY C C 99 174.225 174.225 172.768 1.457 25564 9871 1 18 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.897 0.058 25564 9872 1 18 . 1 1 99 99 GLY H H 99 8.033 8.033 7.400 0.633 25564 9873 1 18 . 1 1 100 100 THR N N 100 114.887 114.887 117.541 -2.654 25564 9874 1 18 . 1 1 100 100 THR HA H 100 4.623 4.623 4.685 -0.062 25564 9875 1 18 . 1 1 100 100 THR C C 100 172.336 172.336 173.255 -0.919 25564 9876 1 18 . 1 1 100 100 THR CA C 100 59.775 59.775 59.250 0.525 25564 9877 1 18 . 1 1 100 100 THR CB C 100 70.644 70.644 70.354 0.290 25564 9878 1 18 . 1 1 100 100 THR H H 100 8.055 8.055 8.111 -0.056 25564 9879 1 18 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.200 0.299 25564 9880 1 18 . 1 1 101 101 PRO C C 101 177.344 177.344 176.689 0.655 25564 9881 1 18 . 1 1 101 101 PRO CA C 101 63.108 63.108 64.619 -1.511 25564 9882 1 18 . 1 1 101 101 PRO CB C 101 32.286 32.286 32.128 0.158 25564 9883 1 18 . 1 1 102 102 ARG N N 102 122.476 122.476 117.780 4.696 25564 9884 1 18 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.465 -0.151 25564 9885 1 18 . 1 1 102 102 ARG C C 102 176.790 176.790 175.409 1.381 25564 9886 1 18 . 1 1 102 102 ARG CA C 102 56.404 56.404 55.934 0.470 25564 9887 1 18 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.428 -0.163 25564 9888 1 18 . 1 1 102 102 ARG H H 102 8.771 8.771 7.837 0.934 25564 9889 1 18 . 1 1 103 103 SER HA H 103 4.523 4.523 4.025 0.498 25564 9890 1 18 . 1 1 103 103 SER CA C 103 58.311 58.311 60.682 -2.371 25564 9891 1 18 . 1 1 103 103 SER CB C 103 64.168 64.168 62.573 1.595 25564 9892 1 18 . 1 1 104 104 ASP N N 104 122.461 122.461 122.563 -0.102 25564 9893 1 18 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.871 -0.223 25564 9894 1 18 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.729 0.837 25564 9895 1 18 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.602 -1.219 25564 9896 1 18 . 1 1 104 104 ASP H H 104 8.418 8.418 8.283 0.135 25564 9897 1 18 . 1 1 105 105 GLY N N 105 109.250 109.250 108.764 0.486 25564 9898 1 18 . 1 1 105 105 GLY C C 105 173.987 173.987 173.080 0.907 25564 9899 1 18 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.405 0.368 25564 9900 1 18 . 1 1 105 105 GLY H H 105 8.390 8.390 8.340 0.050 25564 9901 1 19 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.609 0.014 25564 9902 1 19 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.091 0.845 25564 9903 1 19 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.616 2.655 25564 9904 1 19 . 1 1 7 7 THR HA H 7 4.470 4.470 4.534 -0.064 25564 9905 1 19 . 1 1 7 7 THR CA C 7 61.923 61.923 61.828 0.095 25564 9906 1 19 . 1 1 7 7 THR CB C 7 70.142 70.142 70.735 -0.593 25564 9907 1 19 . 1 1 8 8 THR N N 8 116.706 116.706 121.852 -5.146 25564 9908 1 19 . 1 1 8 8 THR HA H 8 4.371 4.371 4.623 -0.252 25564 9909 1 19 . 1 1 8 8 THR C C 8 173.590 173.590 173.543 0.047 25564 9910 1 19 . 1 1 8 8 THR CA C 8 61.606 61.606 61.568 0.038 25564 9911 1 19 . 1 1 8 8 THR CB C 8 70.303 70.303 70.024 0.279 25564 9912 1 19 . 1 1 8 8 THR H H 8 8.238 8.238 8.412 -0.174 25564 9913 1 19 . 1 1 9 9 ALA N N 9 127.030 127.030 130.415 -3.385 25564 9914 1 19 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.695 -0.402 25564 9915 1 19 . 1 1 9 9 ALA C C 9 175.005 175.005 175.233 -0.228 25564 9916 1 19 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.097 1.716 25564 9917 1 19 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.908 -0.478 25564 9918 1 19 . 1 1 9 9 ALA H H 9 8.220 8.220 8.254 -0.034 25564 9919 1 19 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.511 -0.182 25564 9920 1 19 . 1 1 10 10 PRO C C 10 175.138 175.138 175.853 -0.715 25564 9921 1 19 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.524 0.273 25564 9922 1 19 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.540 -0.703 25564 9923 1 19 . 1 1 11 11 ASP N N 11 116.244 116.244 122.239 -5.995 25564 9924 1 19 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.739 -0.329 25564 9925 1 19 . 1 1 11 11 ASP C C 11 174.009 174.009 175.813 -1.804 25564 9926 1 19 . 1 1 11 11 ASP CA C 11 53.383 53.383 54.340 -0.957 25564 9927 1 19 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.957 -3.128 25564 9928 1 19 . 1 1 11 11 ASP H H 11 9.038 9.038 8.388 0.650 25564 9929 1 19 . 1 1 12 12 ALA N N 12 120.012 120.012 122.608 -2.596 25564 9930 1 19 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.644 -0.177 25564 9931 1 19 . 1 1 12 12 ALA C C 12 175.669 175.669 175.123 0.546 25564 9932 1 19 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.649 0.591 25564 9933 1 19 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.630 -0.720 25564 9934 1 19 . 1 1 12 12 ALA H H 12 7.944 7.944 8.047 -0.103 25564 9935 1 19 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.032 -0.543 25564 9936 1 19 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.556 -0.231 25564 9937 1 19 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.298 0.531 25564 9938 1 19 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.308 0.178 25564 9939 1 19 . 1 1 14 14 PRO C C 14 175.966 175.966 176.534 -0.568 25564 9940 1 19 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.871 0.124 25564 9941 1 19 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.252 0.378 25564 9942 1 19 . 1 1 15 15 ASP N N 15 117.405 117.405 122.745 -5.340 25564 9943 1 19 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.469 0.089 25564 9944 1 19 . 1 1 15 15 ASP C C 15 173.011 173.011 175.024 -2.013 25564 9945 1 19 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.536 -0.306 25564 9946 1 19 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.333 0.989 25564 9947 1 19 . 1 1 15 15 ASP H H 15 8.470 8.470 8.435 0.035 25564 9948 1 19 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.540 0.812 25564 9949 1 19 . 1 1 16 16 PRO C C 16 177.534 177.534 176.435 1.099 25564 9950 1 19 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.432 0.172 25564 9951 1 19 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.961 -1.477 25564 9952 1 19 . 1 1 17 17 THR N N 17 117.955 117.955 118.063 -0.108 25564 9953 1 19 . 1 1 17 17 THR HA H 17 4.563 4.563 4.530 0.033 25564 9954 1 19 . 1 1 17 17 THR C C 17 172.578 172.578 174.301 -1.723 25564 9955 1 19 . 1 1 17 17 THR CA C 17 61.093 61.093 61.664 -0.571 25564 9956 1 19 . 1 1 17 17 THR CB C 17 72.478 72.478 70.500 1.978 25564 9957 1 19 . 1 1 17 17 THR H H 17 9.415 9.415 8.510 0.905 25564 9958 1 19 . 1 1 18 18 VAL N N 18 124.494 124.494 128.738 -4.244 25564 9959 1 19 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.105 0.267 25564 9960 1 19 . 1 1 18 18 VAL C C 18 175.392 175.392 175.862 -0.470 25564 9961 1 19 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.277 -0.427 25564 9962 1 19 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.781 0.293 25564 9963 1 19 . 1 1 18 18 VAL H H 18 8.645 8.645 8.819 -0.174 25564 9964 1 19 . 1 1 19 19 ASP N N 19 129.904 129.904 128.506 1.398 25564 9965 1 19 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.600 0.123 25564 9966 1 19 . 1 1 19 19 ASP C C 19 175.427 175.427 175.643 -0.216 25564 9967 1 19 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.540 -0.637 25564 9968 1 19 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.044 2.227 25564 9969 1 19 . 1 1 19 19 ASP H H 19 8.805 8.805 8.548 0.257 25564 9970 1 19 . 1 1 20 20 GLN N N 20 115.835 115.835 118.268 -2.433 25564 9971 1 19 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.590 -0.140 25564 9972 1 19 . 1 1 20 20 GLN C C 20 173.593 173.593 173.906 -0.313 25564 9973 1 19 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.845 1.100 25564 9974 1 19 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.904 -0.915 25564 9975 1 19 . 1 1 20 20 GLN H H 20 7.431 7.431 7.538 -0.107 25564 9976 1 19 . 1 1 21 21 VAL N N 21 122.956 122.956 121.482 1.474 25564 9977 1 19 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.299 0.420 25564 9978 1 19 . 1 1 21 21 VAL C C 21 173.753 173.753 174.896 -1.143 25564 9979 1 19 . 1 1 21 21 VAL CA C 21 61.319 61.319 60.858 0.461 25564 9980 1 19 . 1 1 21 21 VAL CB C 21 35.003 35.003 34.452 0.551 25564 9981 1 19 . 1 1 21 21 VAL H H 21 8.317 8.317 8.344 -0.027 25564 9982 1 19 . 1 1 22 22 ASP N N 22 129.722 129.722 124.020 5.702 25564 9983 1 19 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.109 -0.355 25564 9984 1 19 . 1 1 22 22 ASP C C 22 176.114 176.114 175.968 0.146 25564 9985 1 19 . 1 1 22 22 ASP CA C 22 53.639 53.639 51.981 1.658 25564 9986 1 19 . 1 1 22 22 ASP CB C 22 41.377 41.377 43.789 -2.412 25564 9987 1 19 . 1 1 22 22 ASP H H 22 8.778 8.778 8.356 0.422 25564 9988 1 19 . 1 1 23 23 ASP N N 23 115.970 115.970 119.333 -3.363 25564 9989 1 19 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.527 0.107 25564 9990 1 19 . 1 1 23 23 ASP C C 23 175.820 175.820 176.478 -0.658 25564 9991 1 19 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.632 -1.305 25564 9992 1 19 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.377 -0.471 25564 9993 1 19 . 1 1 23 23 ASP H H 23 8.049 8.049 8.582 -0.533 25564 9994 1 19 . 1 1 24 24 THR N N 24 97.756 97.756 108.168 -10.412 25564 9995 1 19 . 1 1 24 24 THR HA H 24 4.566 4.566 4.467 0.099 25564 9996 1 19 . 1 1 24 24 THR C C 24 174.274 174.274 173.781 0.493 25564 9997 1 19 . 1 1 24 24 THR CA C 24 59.595 59.595 60.975 -1.380 25564 9998 1 19 . 1 1 24 24 THR CB C 24 71.670 71.670 68.981 2.689 25564 9999 1 19 . 1 1 24 24 THR H H 24 7.392 7.392 7.771 -0.379 25564 10000 1 19 . 1 1 25 25 SER N N 25 116.249 116.249 116.222 0.027 25564 10001 1 19 . 1 1 25 25 SER HA H 25 5.440 5.440 5.318 0.122 25564 10002 1 19 . 1 1 25 25 SER C C 25 171.891 171.891 172.289 -0.398 25564 10003 1 19 . 1 1 25 25 SER CA C 25 57.670 57.670 58.202 -0.532 25564 10004 1 19 . 1 1 25 25 SER CB C 25 67.439 67.439 66.040 1.399 25564 10005 1 19 . 1 1 25 25 SER H H 25 7.693 7.693 7.609 0.084 25564 10006 1 19 . 1 1 26 26 ILE N N 26 118.594 118.594 121.969 -3.375 25564 10007 1 19 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.592 -0.178 25564 10008 1 19 . 1 1 26 26 ILE C C 26 174.020 174.020 173.402 0.618 25564 10009 1 19 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.619 0.515 25564 10010 1 19 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.039 2.049 25564 10011 1 19 . 1 1 26 26 ILE H H 26 8.141 8.141 8.764 -0.623 25564 10012 1 19 . 1 1 27 27 VAL N N 27 126.778 126.778 123.595 3.183 25564 10013 1 19 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.180 -0.207 25564 10014 1 19 . 1 1 27 27 VAL C C 27 175.692 175.692 174.939 0.753 25564 10015 1 19 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.629 1.820 25564 10016 1 19 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.809 0.004 25564 10017 1 19 . 1 1 27 27 VAL H H 27 8.642 8.642 8.818 -0.176 25564 10018 1 19 . 1 1 28 28 VAL N N 28 127.624 127.624 120.915 6.709 25564 10019 1 19 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.137 -0.277 25564 10020 1 19 . 1 1 28 28 VAL C C 28 173.467 173.467 173.898 -0.431 25564 10021 1 19 . 1 1 28 28 VAL CA C 28 60.454 60.454 58.881 1.573 25564 10022 1 19 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.716 -0.764 25564 10023 1 19 . 1 1 28 28 VAL H H 28 8.656 8.656 8.986 -0.330 25564 10024 1 19 . 1 1 29 29 ARG N N 29 123.905 123.905 123.625 0.280 25564 10025 1 19 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.958 -0.241 25564 10026 1 19 . 1 1 29 29 ARG C C 29 174.147 174.147 175.233 -1.086 25564 10027 1 19 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.459 0.407 25564 10028 1 19 . 1 1 29 29 ARG CB C 29 34.191 34.191 33.037 1.154 25564 10029 1 19 . 1 1 29 29 ARG H H 29 9.075 9.075 8.451 0.624 25564 10030 1 19 . 1 1 30 30 TRP N N 30 116.284 116.284 124.012 -7.728 25564 10031 1 19 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.103 -0.257 25564 10032 1 19 . 1 1 30 30 TRP C C 30 174.778 174.778 175.547 -0.769 25564 10033 1 19 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.585 2.950 25564 10034 1 19 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.225 -0.927 25564 10035 1 19 . 1 1 30 30 TRP H H 30 7.512 7.512 8.037 -0.525 25564 10036 1 19 . 1 1 31 31 SER HA H 31 4.747 4.747 4.654 0.093 25564 10037 1 19 . 1 1 31 31 SER C C 31 172.773 172.773 174.641 -1.868 25564 10038 1 19 . 1 1 31 31 SER CA C 31 57.875 57.875 57.167 0.708 25564 10039 1 19 . 1 1 31 31 SER CB C 31 64.093 64.093 62.995 1.097 25564 10040 1 19 . 1 1 32 32 ARG N N 32 122.062 122.062 125.768 -3.706 25564 10041 1 19 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.815 0.064 25564 10042 1 19 . 1 1 32 32 ARG C C 32 175.788 175.788 174.574 1.214 25564 10043 1 19 . 1 1 32 32 ARG CA C 32 55.285 55.285 54.973 0.312 25564 10044 1 19 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.825 2.595 25564 10045 1 19 . 1 1 32 32 ARG H H 32 8.337 8.337 7.826 0.511 25564 10046 1 19 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.620 -0.144 25564 10047 1 19 . 1 1 33 33 PRO C C 33 175.739 175.739 177.104 -1.365 25564 10048 1 19 . 1 1 33 33 PRO CA C 33 62.966 62.966 61.950 1.016 25564 10049 1 19 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.710 0.265 25564 10050 1 19 . 1 1 34 34 GLN N N 34 122.510 122.510 119.819 2.691 25564 10051 1 19 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.322 -0.168 25564 10052 1 19 . 1 1 34 34 GLN C C 34 177.396 177.396 175.790 1.606 25564 10053 1 19 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.400 1.103 25564 10054 1 19 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.763 0.883 25564 10055 1 19 . 1 1 34 34 GLN H H 34 10.310 10.310 8.581 1.729 25564 10056 1 19 . 1 1 35 35 ALA N N 35 123.797 123.797 123.847 -0.050 25564 10057 1 19 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.361 0.117 25564 10058 1 19 . 1 1 35 35 ALA C C 35 174.959 174.959 175.792 -0.833 25564 10059 1 19 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.977 -0.110 25564 10060 1 19 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.798 0.372 25564 10061 1 19 . 1 1 35 35 ALA H H 35 8.725 8.725 7.664 1.061 25564 10062 1 19 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.447 0.136 25564 10063 1 19 . 1 1 36 36 PRO C C 36 175.555 175.555 175.597 -0.042 25564 10064 1 19 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.189 -0.187 25564 10065 1 19 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.287 -1.312 25564 10066 1 19 . 1 1 37 37 ILE N N 37 114.656 114.656 119.009 -4.353 25564 10067 1 19 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.647 -0.247 25564 10068 1 19 . 1 1 37 37 ILE C C 37 176.204 176.204 175.303 0.901 25564 10069 1 19 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.503 1.608 25564 10070 1 19 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.487 1.155 25564 10071 1 19 . 1 1 37 37 ILE H H 37 7.946 7.946 7.781 0.165 25564 10072 1 19 . 1 1 38 38 THR N N 38 109.332 109.332 116.417 -7.085 25564 10073 1 19 . 1 1 38 38 THR HA H 38 4.576 4.576 4.635 -0.059 25564 10074 1 19 . 1 1 38 38 THR C C 38 175.325 175.325 175.600 -0.275 25564 10075 1 19 . 1 1 38 38 THR CA C 38 61.858 61.858 62.268 -0.410 25564 10076 1 19 . 1 1 38 38 THR CB C 38 69.971 69.971 70.056 -0.085 25564 10077 1 19 . 1 1 38 38 THR H H 38 9.767 9.767 8.995 0.772 25564 10078 1 19 . 1 1 39 39 GLY N N 39 109.326 109.326 109.314 0.012 25564 10079 1 19 . 1 1 39 39 GLY C C 39 169.390 169.390 171.875 -2.485 25564 10080 1 19 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.913 -0.273 25564 10081 1 19 . 1 1 39 39 GLY H H 39 7.641 7.641 7.905 -0.264 25564 10082 1 19 . 1 1 40 40 TYR N N 40 113.638 113.638 118.283 -4.645 25564 10083 1 19 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.746 -0.394 25564 10084 1 19 . 1 1 40 40 TYR C C 40 174.719 174.719 175.022 -0.303 25564 10085 1 19 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.485 0.504 25564 10086 1 19 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.954 0.365 25564 10087 1 19 . 1 1 40 40 TYR H H 40 8.470 8.470 8.740 -0.270 25564 10088 1 19 . 1 1 41 41 ARG N N 41 125.140 125.140 121.974 3.166 25564 10089 1 19 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.301 -0.019 25564 10090 1 19 . 1 1 41 41 ARG C C 41 173.714 173.714 175.040 -1.326 25564 10091 1 19 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.754 2.015 25564 10092 1 19 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.682 2.019 25564 10093 1 19 . 1 1 41 41 ARG H H 41 9.148 9.148 8.907 0.241 25564 10094 1 19 . 1 1 42 42 ILE N N 42 126.999 126.999 122.146 4.853 25564 10095 1 19 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.140 0.202 25564 10096 1 19 . 1 1 42 42 ILE C C 42 174.706 174.706 174.925 -0.219 25564 10097 1 19 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.845 -2.062 25564 10098 1 19 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.668 -0.274 25564 10099 1 19 . 1 1 42 42 ILE H H 42 9.237 9.237 8.864 0.373 25564 10100 1 19 . 1 1 43 43 VAL N N 43 126.775 126.775 128.481 -1.706 25564 10101 1 19 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.814 0.534 25564 10102 1 19 . 1 1 43 43 VAL C C 43 175.795 175.795 175.709 0.086 25564 10103 1 19 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.612 -0.008 25564 10104 1 19 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.560 2.619 25564 10105 1 19 . 1 1 43 43 VAL H H 43 9.369 9.369 9.058 0.311 25564 10106 1 19 . 1 1 44 44 TYR N N 44 122.788 122.788 125.291 -2.503 25564 10107 1 19 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.929 0.315 25564 10108 1 19 . 1 1 44 44 TYR C C 44 174.353 174.353 174.449 -0.096 25564 10109 1 19 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.437 0.973 25564 10110 1 19 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.045 3.305 25564 10111 1 19 . 1 1 44 44 TYR H H 44 9.253 9.253 8.802 0.451 25564 10112 1 19 . 1 1 45 45 SER N N 45 114.339 114.339 117.215 -2.876 25564 10113 1 19 . 1 1 45 45 SER HA H 45 5.208 5.208 4.971 0.237 25564 10114 1 19 . 1 1 45 45 SER C C 45 171.693 171.693 172.126 -0.433 25564 10115 1 19 . 1 1 45 45 SER CA C 45 55.870 55.870 54.094 1.776 25564 10116 1 19 . 1 1 45 45 SER CB C 45 65.646 65.646 65.576 0.070 25564 10117 1 19 . 1 1 45 45 SER H H 45 8.797 8.797 9.112 -0.315 25564 10118 1 19 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.753 -0.367 25564 10119 1 19 . 1 1 46 46 PRO C C 46 177.666 177.666 177.869 -0.203 25564 10120 1 19 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.139 0.553 25564 10121 1 19 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.778 0.239 25564 10122 1 19 . 1 1 47 47 SER N N 47 118.732 118.732 121.427 -2.695 25564 10123 1 19 . 1 1 47 47 SER HA H 47 4.069 4.069 4.334 -0.265 25564 10124 1 19 . 1 1 47 47 SER C C 47 175.055 175.055 175.105 -0.050 25564 10125 1 19 . 1 1 47 47 SER CA C 47 60.992 60.992 60.661 0.331 25564 10126 1 19 . 1 1 47 47 SER CB C 47 63.541 63.541 63.131 0.410 25564 10127 1 19 . 1 1 47 47 SER H H 47 8.648 8.648 8.843 -0.195 25564 10128 1 19 . 1 1 48 48 VAL N N 48 117.213 117.213 114.193 3.020 25564 10129 1 19 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.388 -0.306 25564 10130 1 19 . 1 1 48 48 VAL C C 48 175.456 175.456 174.972 0.484 25564 10131 1 19 . 1 1 48 48 VAL CA C 48 62.987 62.987 61.173 1.814 25564 10132 1 19 . 1 1 48 48 VAL CB C 48 32.869 32.869 31.583 1.286 25564 10133 1 19 . 1 1 48 48 VAL H H 48 7.640 7.640 7.462 0.178 25564 10134 1 19 . 1 1 49 49 GLU N N 49 119.528 119.528 118.817 0.711 25564 10135 1 19 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.022 0.126 25564 10136 1 19 . 1 1 49 49 GLU C C 49 176.081 176.081 175.869 0.212 25564 10137 1 19 . 1 1 49 49 GLU CA C 49 57.174 57.174 57.438 -0.264 25564 10138 1 19 . 1 1 49 49 GLU CB C 49 30.168 30.168 29.088 1.080 25564 10139 1 19 . 1 1 49 49 GLU H H 49 8.150 8.150 7.711 0.439 25564 10140 1 19 . 1 1 50 50 GLY N N 50 108.013 108.013 108.190 -0.177 25564 10141 1 19 . 1 1 50 50 GLY C C 50 173.617 173.617 173.231 0.386 25564 10142 1 19 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.631 0.779 25564 10143 1 19 . 1 1 50 50 GLY H H 50 8.144 8.144 8.261 -0.117 25564 10144 1 19 . 1 1 51 51 SER N N 51 115.893 115.893 119.944 -4.051 25564 10145 1 19 . 1 1 51 51 SER HA H 51 4.604 4.604 4.786 -0.182 25564 10146 1 19 . 1 1 51 51 SER CA C 51 58.145 58.145 57.438 0.707 25564 10147 1 19 . 1 1 51 51 SER CB C 51 64.429 64.429 63.517 0.912 25564 10148 1 19 . 1 1 51 51 SER H H 51 8.248 8.248 8.485 -0.237 25564 10149 1 19 . 1 1 52 52 SER HA H 52 4.795 4.795 5.597 -0.802 25564 10150 1 19 . 1 1 52 52 SER C C 52 173.840 173.840 173.836 0.004 25564 10151 1 19 . 1 1 52 52 SER CA C 52 58.319 58.319 56.984 1.335 25564 10152 1 19 . 1 1 52 52 SER CB C 52 65.231 65.231 66.263 -1.032 25564 10153 1 19 . 1 1 53 53 THR N N 53 121.052 121.052 118.198 2.854 25564 10154 1 19 . 1 1 53 53 THR HA H 53 4.294 4.294 4.417 -0.123 25564 10155 1 19 . 1 1 53 53 THR C C 53 171.241 171.241 171.859 -0.618 25564 10156 1 19 . 1 1 53 53 THR CA C 53 62.799 62.799 61.607 1.192 25564 10157 1 19 . 1 1 53 53 THR CB C 53 70.995 70.995 71.974 -0.979 25564 10158 1 19 . 1 1 53 53 THR H H 53 8.344 8.344 8.508 -0.164 25564 10159 1 19 . 1 1 54 54 GLU N N 54 125.190 125.190 126.019 -0.829 25564 10160 1 19 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.575 0.039 25564 10161 1 19 . 1 1 54 54 GLU C C 54 175.175 175.175 175.202 -0.027 25564 10162 1 19 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.102 0.410 25564 10163 1 19 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.607 2.064 25564 10164 1 19 . 1 1 54 54 GLU H H 54 8.458 8.458 8.510 -0.052 25564 10165 1 19 . 1 1 55 55 LEU N N 55 125.745 125.745 126.323 -0.578 25564 10166 1 19 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.754 0.101 25564 10167 1 19 . 1 1 55 55 LEU C C 55 175.121 175.121 174.765 0.356 25564 10168 1 19 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.869 0.137 25564 10169 1 19 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.131 0.605 25564 10170 1 19 . 1 1 55 55 LEU H H 55 9.755 9.755 8.748 1.007 25564 10171 1 19 . 1 1 56 56 ASN N N 56 120.517 120.517 120.468 0.049 25564 10172 1 19 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.702 -0.138 25564 10173 1 19 . 1 1 56 56 ASN C C 56 174.180 174.180 174.068 0.112 25564 10174 1 19 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.260 1.016 25564 10175 1 19 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.066 1.385 25564 10176 1 19 . 1 1 56 56 ASN H H 56 8.727 8.727 8.509 0.218 25564 10177 1 19 . 1 1 57 57 LEU N N 57 123.534 123.534 126.123 -2.589 25564 10178 1 19 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.067 0.068 25564 10179 1 19 . 1 1 57 57 LEU C C 57 174.960 174.960 174.925 0.035 25564 10180 1 19 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.521 0.604 25564 10181 1 19 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.625 0.183 25564 10182 1 19 . 1 1 57 57 LEU H H 57 9.075 9.075 8.733 0.342 25564 10183 1 19 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.657 0.398 25564 10184 1 19 . 1 1 58 58 PRO C C 58 176.897 176.897 178.305 -1.408 25564 10185 1 19 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.338 0.252 25564 10186 1 19 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.307 1.560 25564 10187 1 19 . 1 1 59 59 GLU N N 59 117.522 117.522 120.582 -3.060 25564 10188 1 19 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.132 -0.151 25564 10189 1 19 . 1 1 59 59 GLU C C 59 175.246 175.246 176.853 -1.607 25564 10190 1 19 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.866 -0.961 25564 10191 1 19 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.788 0.136 25564 10192 1 19 . 1 1 59 59 GLU H H 59 8.905 8.905 8.674 0.231 25564 10193 1 19 . 1 1 60 60 THR N N 60 106.153 106.153 112.113 -5.960 25564 10194 1 19 . 1 1 60 60 THR HA H 60 4.155 4.155 4.307 -0.152 25564 10195 1 19 . 1 1 60 60 THR C C 60 175.087 175.087 173.424 1.663 25564 10196 1 19 . 1 1 60 60 THR CA C 60 61.646 61.646 61.076 0.570 25564 10197 1 19 . 1 1 60 60 THR CB C 60 69.638 69.638 67.843 1.795 25564 10198 1 19 . 1 1 60 60 THR H H 60 7.056 7.056 7.997 -0.941 25564 10199 1 19 . 1 1 61 61 ALA N N 61 125.590 125.590 123.266 2.324 25564 10200 1 19 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.318 0.032 25564 10201 1 19 . 1 1 61 61 ALA C C 61 176.988 176.988 175.815 1.173 25564 10202 1 19 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.199 2.271 25564 10203 1 19 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.516 0.708 25564 10204 1 19 . 1 1 61 61 ALA H H 61 7.808 7.808 8.009 -0.201 25564 10205 1 19 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.614 0.049 25564 10206 1 19 . 1 1 62 62 ASN C C 62 171.666 171.666 172.568 -0.902 25564 10207 1 19 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.176 0.002 25564 10208 1 19 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.963 -0.287 25564 10209 1 19 . 1 1 63 63 SER N N 63 109.802 109.802 113.739 -3.937 25564 10210 1 19 . 1 1 63 63 SER HA H 63 4.341 4.341 4.516 -0.175 25564 10211 1 19 . 1 1 63 63 SER C C 63 172.378 172.378 172.401 -0.023 25564 10212 1 19 . 1 1 63 63 SER CA C 63 56.541 56.541 57.274 -0.733 25564 10213 1 19 . 1 1 63 63 SER CB C 63 65.498 65.498 64.881 0.617 25564 10214 1 19 . 1 1 63 63 SER H H 63 6.764 6.764 6.732 0.032 25564 10215 1 19 . 1 1 64 64 VAL N N 64 117.873 117.873 121.956 -4.083 25564 10216 1 19 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.478 -0.038 25564 10217 1 19 . 1 1 64 64 VAL C C 64 171.395 171.395 174.480 -3.085 25564 10218 1 19 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.321 1.423 25564 10219 1 19 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.849 0.242 25564 10220 1 19 . 1 1 64 64 VAL H H 64 8.793 8.793 8.778 0.015 25564 10221 1 19 . 1 1 65 65 THR N N 65 123.328 123.328 124.221 -0.893 25564 10222 1 19 . 1 1 65 65 THR HA H 65 4.703 4.703 4.517 0.186 25564 10223 1 19 . 1 1 65 65 THR C C 65 173.608 173.608 174.269 -0.661 25564 10224 1 19 . 1 1 65 65 THR CA C 65 62.094 62.094 62.331 -0.237 25564 10225 1 19 . 1 1 65 65 THR CB C 65 69.754 69.754 68.237 1.517 25564 10226 1 19 . 1 1 65 65 THR H H 65 8.377 8.377 8.509 -0.132 25564 10227 1 19 . 1 1 66 66 LEU N N 66 130.029 130.029 127.279 2.750 25564 10228 1 19 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.165 0.186 25564 10229 1 19 . 1 1 66 66 LEU C C 66 174.738 174.738 176.186 -1.448 25564 10230 1 19 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.458 -0.900 25564 10231 1 19 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.658 -0.452 25564 10232 1 19 . 1 1 66 66 LEU H H 66 9.232 9.232 8.625 0.607 25564 10233 1 19 . 1 1 67 67 SER N N 67 117.107 117.107 115.810 1.297 25564 10234 1 19 . 1 1 67 67 SER HA H 67 4.936 4.936 5.104 -0.168 25564 10235 1 19 . 1 1 67 67 SER C C 67 172.509 172.509 173.855 -1.346 25564 10236 1 19 . 1 1 67 67 SER CA C 67 57.340 57.340 56.523 0.817 25564 10237 1 19 . 1 1 67 67 SER CB C 67 66.115 66.115 65.543 0.572 25564 10238 1 19 . 1 1 67 67 SER H H 67 8.174 8.174 8.173 0.001 25564 10239 1 19 . 1 1 68 68 ASP N N 68 116.924 116.924 118.964 -2.040 25564 10240 1 19 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.352 0.002 25564 10241 1 19 . 1 1 68 68 ASP C C 68 175.654 175.654 175.163 0.491 25564 10242 1 19 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.646 -0.044 25564 10243 1 19 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.292 0.422 25564 10244 1 19 . 1 1 68 68 ASP H H 68 9.003 9.003 8.313 0.690 25564 10245 1 19 . 1 1 69 69 LEU N N 69 116.713 116.713 116.695 0.018 25564 10246 1 19 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.392 -0.056 25564 10247 1 19 . 1 1 69 69 LEU C C 69 175.793 175.793 176.529 -0.736 25564 10248 1 19 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.319 -0.772 25564 10249 1 19 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.857 -1.823 25564 10250 1 19 . 1 1 69 69 LEU H H 69 8.605 8.605 7.275 1.330 25564 10251 1 19 . 1 1 70 70 GLN N N 70 118.301 118.301 117.611 0.690 25564 10252 1 19 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.887 -0.121 25564 10253 1 19 . 1 1 70 70 GLN C C 70 174.178 174.178 173.850 0.328 25564 10254 1 19 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.202 0.746 25564 10255 1 19 . 1 1 70 70 GLN CB C 70 30.626 30.626 30.188 0.438 25564 10256 1 19 . 1 1 70 70 GLN H H 70 8.288 8.288 8.473 -0.185 25564 10257 1 19 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.219 1.033 25564 10258 1 19 . 1 1 71 71 PRO C C 71 177.837 177.837 177.529 0.308 25564 10259 1 19 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.816 -0.718 25564 10260 1 19 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.382 2.011 25564 10261 1 19 . 1 1 72 72 GLY N N 72 111.077 111.077 111.866 -0.789 25564 10262 1 19 . 1 1 72 72 GLY C C 72 174.621 174.621 173.281 1.340 25564 10263 1 19 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.166 2.060 25564 10264 1 19 . 1 1 72 72 GLY H H 72 7.348 7.348 8.459 -1.111 25564 10265 1 19 . 1 1 73 73 VAL N N 73 120.434 120.434 119.021 1.413 25564 10266 1 19 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.375 -0.263 25564 10267 1 19 . 1 1 73 73 VAL C C 73 173.963 173.963 174.704 -0.741 25564 10268 1 19 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.707 0.987 25564 10269 1 19 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.918 -0.495 25564 10270 1 19 . 1 1 73 73 VAL H H 73 7.670 7.670 8.517 -0.847 25564 10271 1 19 . 1 1 74 74 GLN N N 74 123.606 123.606 125.203 -1.597 25564 10272 1 19 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.404 -0.197 25564 10273 1 19 . 1 1 74 74 GLN C C 74 174.283 174.283 174.474 -0.191 25564 10274 1 19 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.885 0.620 25564 10275 1 19 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.918 1.557 25564 10276 1 19 . 1 1 74 74 GLN H H 74 8.263 8.263 8.732 -0.469 25564 10277 1 19 . 1 1 75 75 TYR N N 75 127.153 127.153 127.506 -0.353 25564 10278 1 19 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.916 -0.176 25564 10279 1 19 . 1 1 75 75 TYR C C 75 174.412 174.412 174.852 -0.440 25564 10280 1 19 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.112 2.071 25564 10281 1 19 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.012 -0.131 25564 10282 1 19 . 1 1 75 75 TYR H H 75 8.916 8.916 9.062 -0.146 25564 10283 1 19 . 1 1 76 76 ASN N N 76 120.363 120.363 123.895 -3.532 25564 10284 1 19 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.045 0.148 25564 10285 1 19 . 1 1 76 76 ASN C C 76 174.903 174.903 174.282 0.621 25564 10286 1 19 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.310 -0.471 25564 10287 1 19 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.792 0.547 25564 10288 1 19 . 1 1 76 76 ASN H H 76 9.014 9.014 8.957 0.057 25564 10289 1 19 . 1 1 77 77 ILE N N 77 127.376 127.376 128.468 -1.092 25564 10290 1 19 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.378 0.270 25564 10291 1 19 . 1 1 77 77 ILE C C 77 173.510 173.510 175.093 -1.583 25564 10292 1 19 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.144 0.212 25564 10293 1 19 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.057 2.854 25564 10294 1 19 . 1 1 77 77 ILE H H 77 9.466 9.466 9.018 0.448 25564 10295 1 19 . 1 1 78 78 THR N N 78 124.282 124.282 126.506 -2.224 25564 10296 1 19 . 1 1 78 78 THR HA H 78 5.117 5.117 5.513 -0.396 25564 10297 1 19 . 1 1 78 78 THR C C 78 173.140 173.140 173.850 -0.710 25564 10298 1 19 . 1 1 78 78 THR CA C 78 61.961 61.961 61.011 0.950 25564 10299 1 19 . 1 1 78 78 THR CB C 78 70.244 70.244 69.353 0.891 25564 10300 1 19 . 1 1 78 78 THR H H 78 9.535 9.535 8.725 0.810 25564 10301 1 19 . 1 1 79 79 ILE N N 79 125.033 125.033 126.626 -1.593 25564 10302 1 19 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.313 0.278 25564 10303 1 19 . 1 1 79 79 ILE C C 79 173.827 173.827 174.740 -0.913 25564 10304 1 19 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.391 2.357 25564 10305 1 19 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.829 3.441 25564 10306 1 19 . 1 1 79 79 ILE H H 79 8.974 8.974 8.434 0.540 25564 10307 1 19 . 1 1 80 80 TYR N N 80 122.647 122.647 125.209 -2.562 25564 10308 1 19 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.552 -0.033 25564 10309 1 19 . 1 1 80 80 TYR C C 80 177.072 177.072 174.082 2.990 25564 10310 1 19 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.865 0.536 25564 10311 1 19 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.727 1.173 25564 10312 1 19 . 1 1 80 80 TYR H H 80 9.137 9.137 8.947 0.190 25564 10313 1 19 . 1 1 81 81 ALA N N 81 124.412 124.412 128.426 -4.014 25564 10314 1 19 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.335 1.418 25564 10315 1 19 . 1 1 81 81 ALA C C 81 175.811 175.811 175.087 0.724 25564 10316 1 19 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.062 0.595 25564 10317 1 19 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.688 2.628 25564 10318 1 19 . 1 1 81 81 ALA H H 81 8.764 8.764 8.793 -0.029 25564 10319 1 19 . 1 1 82 82 VAL N N 82 120.278 120.278 124.758 -4.480 25564 10320 1 19 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.276 0.337 25564 10321 1 19 . 1 1 82 82 VAL C C 82 174.662 174.662 174.217 0.445 25564 10322 1 19 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.753 0.426 25564 10323 1 19 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.996 -0.325 25564 10324 1 19 . 1 1 82 82 VAL H H 82 8.276 8.276 8.404 -0.128 25564 10325 1 19 . 1 1 83 83 GLU N N 83 127.125 127.125 127.897 -0.772 25564 10326 1 19 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.657 -0.120 25564 10327 1 19 . 1 1 83 83 GLU C C 83 175.133 175.133 176.452 -1.319 25564 10328 1 19 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.178 1.822 25564 10329 1 19 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.818 -0.102 25564 10330 1 19 . 1 1 83 83 GLU H H 83 8.849 8.849 8.647 0.202 25564 10331 1 19 . 1 1 84 84 GLU N N 84 125.009 125.009 122.321 2.688 25564 10332 1 19 . 1 1 84 84 GLU HA H 84 3.682 3.682 4.035 -0.353 25564 10333 1 19 . 1 1 84 84 GLU C C 84 174.988 174.988 177.251 -2.263 25564 10334 1 19 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.202 0.160 25564 10335 1 19 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.791 -2.069 25564 10336 1 19 . 1 1 84 84 GLU H H 84 8.952 8.952 8.889 0.063 25564 10337 1 19 . 1 1 85 85 ASN N N 85 119.010 119.010 113.624 5.386 25564 10338 1 19 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.861 -0.155 25564 10339 1 19 . 1 1 85 85 ASN C C 85 174.499 174.499 174.055 0.444 25564 10340 1 19 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.104 0.849 25564 10341 1 19 . 1 1 85 85 ASN CB C 85 39.030 39.030 40.024 -0.994 25564 10342 1 19 . 1 1 85 85 ASN H H 85 8.412 8.412 8.701 -0.289 25564 10343 1 19 . 1 1 86 86 GLN N N 86 119.080 119.080 118.658 0.422 25564 10344 1 19 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.622 -0.018 25564 10345 1 19 . 1 1 86 86 GLN C C 86 174.270 174.270 173.879 0.391 25564 10346 1 19 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.516 0.776 25564 10347 1 19 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.815 -0.804 25564 10348 1 19 . 1 1 86 86 GLN H H 86 8.086 8.086 7.449 0.637 25564 10349 1 19 . 1 1 87 87 GLU N N 87 120.589 120.589 119.899 0.690 25564 10350 1 19 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.694 0.520 25564 10351 1 19 . 1 1 87 87 GLU C C 87 176.092 176.092 175.839 0.253 25564 10352 1 19 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.544 -0.822 25564 10353 1 19 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.525 1.190 25564 10354 1 19 . 1 1 87 87 GLU H H 87 8.498 8.498 8.628 -0.130 25564 10355 1 19 . 1 1 88 88 SER N N 88 116.013 116.013 121.844 -5.831 25564 10356 1 19 . 1 1 88 88 SER HA H 88 4.547 4.547 4.377 0.170 25564 10357 1 19 . 1 1 88 88 SER C C 88 175.202 175.202 175.379 -0.177 25564 10358 1 19 . 1 1 88 88 SER CA C 88 58.211 58.211 59.259 -1.048 25564 10359 1 19 . 1 1 88 88 SER CB C 88 66.959 66.959 64.040 2.918 25564 10360 1 19 . 1 1 88 88 SER H H 88 8.954 8.954 8.721 0.233 25564 10361 1 19 . 1 1 89 89 THR N N 89 114.798 114.798 115.023 -0.225 25564 10362 1 19 . 1 1 89 89 THR HA H 89 4.520 4.520 4.279 0.241 25564 10363 1 19 . 1 1 89 89 THR C C 89 173.754 173.754 173.059 0.695 25564 10364 1 19 . 1 1 89 89 THR CA C 89 61.673 61.673 61.557 0.116 25564 10365 1 19 . 1 1 89 89 THR CB C 89 69.286 69.286 68.453 0.833 25564 10366 1 19 . 1 1 89 89 THR H H 89 8.559 8.559 8.323 0.236 25564 10367 1 19 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.403 -0.248 25564 10368 1 19 . 1 1 90 90 PRO C C 90 177.970 177.970 176.302 1.668 25564 10369 1 19 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.848 0.877 25564 10370 1 19 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.853 -0.450 25564 10371 1 19 . 1 1 91 91 VAL N N 91 120.679 120.679 124.981 -4.302 25564 10372 1 19 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.937 0.340 25564 10373 1 19 . 1 1 91 91 VAL C C 91 173.958 173.958 174.679 -0.721 25564 10374 1 19 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.541 -0.943 25564 10375 1 19 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.489 1.458 25564 10376 1 19 . 1 1 91 91 VAL H H 91 8.189 8.189 8.466 -0.277 25564 10377 1 19 . 1 1 92 92 VAL N N 92 125.593 125.593 128.189 -2.596 25564 10378 1 19 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.602 0.405 25564 10379 1 19 . 1 1 92 92 VAL C C 92 176.045 176.045 175.608 0.437 25564 10380 1 19 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.257 0.104 25564 10381 1 19 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.110 2.024 25564 10382 1 19 . 1 1 92 92 VAL H H 92 8.300 8.300 8.489 -0.189 25564 10383 1 19 . 1 1 93 93 ILE N N 93 127.733 127.733 124.959 2.774 25564 10384 1 19 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.699 -0.283 25564 10385 1 19 . 1 1 93 93 ILE C C 93 174.071 174.071 174.540 -0.469 25564 10386 1 19 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.851 -0.013 25564 10387 1 19 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.094 3.138 25564 10388 1 19 . 1 1 93 93 ILE H H 93 9.471 9.471 8.933 0.538 25564 10389 1 19 . 1 1 94 94 GLN N N 94 123.610 123.610 127.557 -3.947 25564 10390 1 19 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.168 0.373 25564 10391 1 19 . 1 1 94 94 GLN C C 94 175.328 175.328 175.117 0.211 25564 10392 1 19 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.531 0.051 25564 10393 1 19 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.363 1.666 25564 10394 1 19 . 1 1 94 94 GLN H H 94 8.522 8.522 8.657 -0.135 25564 10395 1 19 . 1 1 95 95 GLN N N 95 123.044 123.044 124.445 -1.401 25564 10396 1 19 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.648 -0.138 25564 10397 1 19 . 1 1 95 95 GLN C C 95 173.530 173.530 174.304 -0.774 25564 10398 1 19 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.699 0.223 25564 10399 1 19 . 1 1 95 95 GLN CB C 95 32.523 32.523 33.014 -0.491 25564 10400 1 19 . 1 1 95 95 GLN H H 95 8.893 8.893 9.105 -0.212 25564 10401 1 19 . 1 1 96 96 GLU N N 96 128.881 128.881 126.908 1.973 25564 10402 1 19 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.814 0.929 25564 10403 1 19 . 1 1 96 96 GLU C C 96 178.926 178.926 176.567 2.359 25564 10404 1 19 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.568 -0.749 25564 10405 1 19 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.422 1.103 25564 10406 1 19 . 1 1 96 96 GLU H H 96 8.913 8.913 8.714 0.199 25564 10407 1 19 . 1 1 97 97 THR N N 97 116.022 116.022 118.977 -2.955 25564 10408 1 19 . 1 1 97 97 THR HA H 97 4.344 4.344 4.192 0.152 25564 10409 1 19 . 1 1 97 97 THR C C 97 176.660 176.660 175.444 1.216 25564 10410 1 19 . 1 1 97 97 THR CA C 97 61.453 61.453 62.844 -1.391 25564 10411 1 19 . 1 1 97 97 THR CB C 97 69.742 69.742 69.416 0.326 25564 10412 1 19 . 1 1 97 97 THR H H 97 8.740 8.740 8.805 -0.065 25564 10413 1 19 . 1 1 98 98 THR N N 98 110.068 110.068 119.237 -9.169 25564 10414 1 19 . 1 1 98 98 THR HA H 98 4.270 4.270 4.106 0.164 25564 10415 1 19 . 1 1 98 98 THR C C 98 173.859 173.859 175.748 -1.889 25564 10416 1 19 . 1 1 98 98 THR CA C 98 62.659 62.659 64.638 -1.979 25564 10417 1 19 . 1 1 98 98 THR CB C 98 69.654 69.654 68.864 0.790 25564 10418 1 19 . 1 1 98 98 THR H H 98 7.287 7.287 8.505 -1.218 25564 10419 1 19 . 1 1 99 99 GLY N N 99 103.540 103.540 109.903 -6.363 25564 10420 1 19 . 1 1 99 99 GLY C C 99 174.225 174.225 173.407 0.818 25564 10421 1 19 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.771 0.184 25564 10422 1 19 . 1 1 99 99 GLY H H 99 8.033 8.033 7.542 0.491 25564 10423 1 19 . 1 1 100 100 THR N N 100 114.887 114.887 119.799 -4.912 25564 10424 1 19 . 1 1 100 100 THR HA H 100 4.623 4.623 4.628 -0.005 25564 10425 1 19 . 1 1 100 100 THR C C 100 172.336 172.336 172.876 -0.540 25564 10426 1 19 . 1 1 100 100 THR CA C 100 59.775 59.775 61.098 -1.323 25564 10427 1 19 . 1 1 100 100 THR CB C 100 70.644 70.644 68.403 2.241 25564 10428 1 19 . 1 1 100 100 THR H H 100 8.055 8.055 8.093 -0.038 25564 10429 1 19 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.448 0.051 25564 10430 1 19 . 1 1 101 101 PRO C C 101 177.344 177.344 176.312 1.032 25564 10431 1 19 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.292 -0.184 25564 10432 1 19 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.692 0.594 25564 10433 1 19 . 1 1 102 102 ARG N N 102 122.476 122.476 125.648 -3.172 25564 10434 1 19 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.286 0.028 25564 10435 1 19 . 1 1 102 102 ARG C C 102 176.790 176.790 175.802 0.988 25564 10436 1 19 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.219 0.185 25564 10437 1 19 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.655 0.610 25564 10438 1 19 . 1 1 102 102 ARG H H 102 8.771 8.771 8.336 0.435 25564 10439 1 19 . 1 1 103 103 SER HA H 103 4.523 4.523 4.264 0.259 25564 10440 1 19 . 1 1 103 103 SER CA C 103 58.311 58.311 58.518 -0.207 25564 10441 1 19 . 1 1 103 103 SER CB C 103 64.168 64.168 62.795 1.373 25564 10442 1 19 . 1 1 104 104 ASP N N 104 122.461 122.461 121.259 1.202 25564 10443 1 19 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.792 -0.144 25564 10444 1 19 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.551 1.015 25564 10445 1 19 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.716 -1.333 25564 10446 1 19 . 1 1 104 104 ASP H H 104 8.418 8.418 8.281 0.137 25564 10447 1 19 . 1 1 105 105 GLY N N 105 109.250 109.250 110.111 -0.861 25564 10448 1 19 . 1 1 105 105 GLY C C 105 173.987 173.987 174.794 -0.807 25564 10449 1 19 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.257 0.516 25564 10450 1 19 . 1 1 105 105 GLY H H 105 8.390 8.390 8.661 -0.271 25564 10451 1 20 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.565 0.058 25564 10452 1 20 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.036 0.900 25564 10453 1 20 . 1 1 3 3 HIS CB C 3 31.271 31.271 28.500 2.771 25564 10454 1 20 . 1 1 7 7 THR HA H 7 4.470 4.470 4.638 -0.168 25564 10455 1 20 . 1 1 7 7 THR CA C 7 61.923 61.923 61.837 0.086 25564 10456 1 20 . 1 1 7 7 THR CB C 7 70.142 70.142 70.223 -0.081 25564 10457 1 20 . 1 1 8 8 THR N N 8 116.706 116.706 117.341 -0.635 25564 10458 1 20 . 1 1 8 8 THR HA H 8 4.371 4.371 4.098 0.273 25564 10459 1 20 . 1 1 8 8 THR C C 8 173.590 173.590 173.279 0.311 25564 10460 1 20 . 1 1 8 8 THR CA C 8 61.606 61.606 62.803 -1.197 25564 10461 1 20 . 1 1 8 8 THR CB C 8 70.303 70.303 69.145 1.157 25564 10462 1 20 . 1 1 8 8 THR H H 8 8.238 8.238 8.382 -0.144 25564 10463 1 20 . 1 1 9 9 ALA N N 9 127.030 127.030 129.040 -2.010 25564 10464 1 20 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.778 -0.485 25564 10465 1 20 . 1 1 9 9 ALA C C 9 175.005 175.005 174.938 0.067 25564 10466 1 20 . 1 1 9 9 ALA CA C 9 50.813 50.813 50.163 0.650 25564 10467 1 20 . 1 1 9 9 ALA CB C 9 18.430 18.430 20.770 -2.340 25564 10468 1 20 . 1 1 9 9 ALA H H 9 8.220 8.220 8.247 -0.027 25564 10469 1 20 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.607 -0.278 25564 10470 1 20 . 1 1 10 10 PRO C C 10 175.138 175.138 175.515 -0.377 25564 10471 1 20 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.457 0.340 25564 10472 1 20 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.613 -0.776 25564 10473 1 20 . 1 1 11 11 ASP N N 11 116.244 116.244 118.833 -2.589 25564 10474 1 20 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.821 -0.411 25564 10475 1 20 . 1 1 11 11 ASP C C 11 174.009 174.009 174.486 -0.477 25564 10476 1 20 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.010 0.373 25564 10477 1 20 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.626 -4.797 25564 10478 1 20 . 1 1 11 11 ASP H H 11 9.038 9.038 8.322 0.716 25564 10479 1 20 . 1 1 12 12 ALA N N 12 120.012 120.012 122.892 -2.880 25564 10480 1 20 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.697 -0.230 25564 10481 1 20 . 1 1 12 12 ALA C C 12 175.669 175.669 175.177 0.492 25564 10482 1 20 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.845 0.395 25564 10483 1 20 . 1 1 12 12 ALA CB C 12 17.910 17.910 19.051 -1.141 25564 10484 1 20 . 1 1 12 12 ALA H H 12 7.944 7.944 8.150 -0.206 25564 10485 1 20 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.062 -0.573 25564 10486 1 20 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.569 -0.244 25564 10487 1 20 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.172 0.657 25564 10488 1 20 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.252 0.234 25564 10489 1 20 . 1 1 14 14 PRO C C 14 175.966 175.966 176.586 -0.620 25564 10490 1 20 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.989 0.006 25564 10491 1 20 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.436 0.193 25564 10492 1 20 . 1 1 15 15 ASP N N 15 117.405 117.405 121.690 -4.285 25564 10493 1 20 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.421 0.137 25564 10494 1 20 . 1 1 15 15 ASP C C 15 173.011 173.011 174.831 -1.820 25564 10495 1 20 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.909 0.321 25564 10496 1 20 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.053 0.269 25564 10497 1 20 . 1 1 15 15 ASP H H 15 8.470 8.470 8.469 0.001 25564 10498 1 20 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.831 0.521 25564 10499 1 20 . 1 1 16 16 PRO C C 16 177.534 177.534 176.172 1.362 25564 10500 1 20 . 1 1 16 16 PRO CA C 16 63.604 63.604 62.892 0.712 25564 10501 1 20 . 1 1 16 16 PRO CB C 16 31.484 31.484 33.430 -1.946 25564 10502 1 20 . 1 1 17 17 THR N N 17 117.955 117.955 118.387 -0.432 25564 10503 1 20 . 1 1 17 17 THR HA H 17 4.563 4.563 4.600 -0.037 25564 10504 1 20 . 1 1 17 17 THR C C 17 172.578 172.578 173.943 -1.365 25564 10505 1 20 . 1 1 17 17 THR CA C 17 61.093 61.093 61.209 -0.116 25564 10506 1 20 . 1 1 17 17 THR CB C 17 72.478 72.478 71.208 1.270 25564 10507 1 20 . 1 1 17 17 THR H H 17 9.415 9.415 8.717 0.698 25564 10508 1 20 . 1 1 18 18 VAL N N 18 124.494 124.494 127.601 -3.107 25564 10509 1 20 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.232 0.140 25564 10510 1 20 . 1 1 18 18 VAL C C 18 175.392 175.392 175.920 -0.528 25564 10511 1 20 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.728 0.122 25564 10512 1 20 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.871 0.203 25564 10513 1 20 . 1 1 18 18 VAL H H 18 8.645 8.645 8.743 -0.098 25564 10514 1 20 . 1 1 19 19 ASP N N 19 129.904 129.904 128.058 1.846 25564 10515 1 20 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.632 0.091 25564 10516 1 20 . 1 1 19 19 ASP C C 19 175.427 175.427 175.633 -0.206 25564 10517 1 20 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.530 -0.627 25564 10518 1 20 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.263 2.009 25564 10519 1 20 . 1 1 19 19 ASP H H 19 8.805 8.805 8.705 0.100 25564 10520 1 20 . 1 1 20 20 GLN N N 20 115.835 115.835 118.458 -2.623 25564 10521 1 20 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.668 -0.218 25564 10522 1 20 . 1 1 20 20 GLN C C 20 173.593 173.593 173.971 -0.378 25564 10523 1 20 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.729 1.216 25564 10524 1 20 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.893 -0.904 25564 10525 1 20 . 1 1 20 20 GLN H H 20 7.431 7.431 7.834 -0.403 25564 10526 1 20 . 1 1 21 21 VAL N N 21 122.956 122.956 117.992 4.964 25564 10527 1 20 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.627 0.092 25564 10528 1 20 . 1 1 21 21 VAL C C 21 173.753 173.753 174.189 -0.436 25564 10529 1 20 . 1 1 21 21 VAL CA C 21 61.319 61.319 59.923 1.396 25564 10530 1 20 . 1 1 21 21 VAL CB C 21 35.003 35.003 34.091 0.912 25564 10531 1 20 . 1 1 21 21 VAL H H 21 8.317 8.317 8.411 -0.094 25564 10532 1 20 . 1 1 22 22 ASP N N 22 129.722 129.722 123.375 6.347 25564 10533 1 20 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.195 -0.441 25564 10534 1 20 . 1 1 22 22 ASP C C 22 176.114 176.114 176.563 -0.449 25564 10535 1 20 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.812 0.827 25564 10536 1 20 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.006 -2.629 25564 10537 1 20 . 1 1 22 22 ASP H H 22 8.778 8.778 8.679 0.099 25564 10538 1 20 . 1 1 23 23 ASP N N 23 115.970 115.970 120.325 -4.355 25564 10539 1 20 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.504 0.130 25564 10540 1 20 . 1 1 23 23 ASP C C 23 175.820 175.820 176.106 -0.286 25564 10541 1 20 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.576 -1.249 25564 10542 1 20 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.139 -0.234 25564 10543 1 20 . 1 1 23 23 ASP H H 23 8.049 8.049 8.467 -0.418 25564 10544 1 20 . 1 1 24 24 THR N N 24 97.756 97.756 106.915 -9.159 25564 10545 1 20 . 1 1 24 24 THR HA H 24 4.566 4.566 4.518 0.048 25564 10546 1 20 . 1 1 24 24 THR C C 24 174.274 174.274 172.912 1.362 25564 10547 1 20 . 1 1 24 24 THR CA C 24 59.595 59.595 60.639 -1.044 25564 10548 1 20 . 1 1 24 24 THR CB C 24 71.670 71.670 68.143 3.527 25564 10549 1 20 . 1 1 24 24 THR H H 24 7.392 7.392 7.952 -0.560 25564 10550 1 20 . 1 1 25 25 SER N N 25 116.249 116.249 114.293 1.956 25564 10551 1 20 . 1 1 25 25 SER HA H 25 5.440 5.440 5.406 0.034 25564 10552 1 20 . 1 1 25 25 SER C C 25 171.891 171.891 172.319 -0.428 25564 10553 1 20 . 1 1 25 25 SER CA C 25 57.670 57.670 57.737 -0.067 25564 10554 1 20 . 1 1 25 25 SER CB C 25 67.439 67.439 66.069 1.370 25564 10555 1 20 . 1 1 25 25 SER H H 25 7.693 7.693 7.159 0.534 25564 10556 1 20 . 1 1 26 26 ILE N N 26 118.594 118.594 122.070 -3.476 25564 10557 1 20 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.719 -0.305 25564 10558 1 20 . 1 1 26 26 ILE C C 26 174.020 174.020 173.572 0.448 25564 10559 1 20 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.599 0.535 25564 10560 1 20 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.071 2.017 25564 10561 1 20 . 1 1 26 26 ILE H H 26 8.141 8.141 8.588 -0.447 25564 10562 1 20 . 1 1 27 27 VAL N N 27 126.778 126.778 125.644 1.134 25564 10563 1 20 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.181 -0.208 25564 10564 1 20 . 1 1 27 27 VAL C C 27 175.692 175.692 174.896 0.796 25564 10565 1 20 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.539 1.910 25564 10566 1 20 . 1 1 27 27 VAL CB C 27 33.813 33.813 32.896 0.917 25564 10567 1 20 . 1 1 27 27 VAL H H 27 8.642 8.642 8.757 -0.115 25564 10568 1 20 . 1 1 28 28 VAL N N 28 127.624 127.624 124.309 3.315 25564 10569 1 20 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.888 -0.029 25564 10570 1 20 . 1 1 28 28 VAL C C 28 173.467 173.467 173.958 -0.491 25564 10571 1 20 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.459 0.995 25564 10572 1 20 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.751 -0.799 25564 10573 1 20 . 1 1 28 28 VAL H H 28 8.656 8.656 8.892 -0.236 25564 10574 1 20 . 1 1 29 29 ARG N N 29 123.905 123.905 124.901 -0.996 25564 10575 1 20 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.913 -0.196 25564 10576 1 20 . 1 1 29 29 ARG C C 29 174.147 174.147 175.107 -0.960 25564 10577 1 20 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.579 0.287 25564 10578 1 20 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.867 1.324 25564 10579 1 20 . 1 1 29 29 ARG H H 29 9.075 9.075 8.435 0.640 25564 10580 1 20 . 1 1 30 30 TRP N N 30 116.284 116.284 123.920 -7.636 25564 10581 1 20 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.076 -0.230 25564 10582 1 20 . 1 1 30 30 TRP C C 30 174.778 174.778 175.092 -0.314 25564 10583 1 20 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.682 2.853 25564 10584 1 20 . 1 1 30 30 TRP CB C 30 30.298 30.298 31.435 -1.137 25564 10585 1 20 . 1 1 30 30 TRP H H 30 7.512 7.512 8.205 -0.693 25564 10586 1 20 . 1 1 31 31 SER HA H 31 4.747 4.747 4.705 0.042 25564 10587 1 20 . 1 1 31 31 SER C C 31 172.773 172.773 174.517 -1.744 25564 10588 1 20 . 1 1 31 31 SER CA C 31 57.875 57.875 56.431 1.444 25564 10589 1 20 . 1 1 31 31 SER CB C 31 64.093 64.093 62.928 1.165 25564 10590 1 20 . 1 1 32 32 ARG N N 32 122.062 122.062 127.087 -5.025 25564 10591 1 20 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.606 0.273 25564 10592 1 20 . 1 1 32 32 ARG C C 32 175.788 175.788 174.698 1.090 25564 10593 1 20 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.608 -0.323 25564 10594 1 20 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.564 2.857 25564 10595 1 20 . 1 1 32 32 ARG H H 32 8.337 8.337 7.741 0.596 25564 10596 1 20 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.651 -0.175 25564 10597 1 20 . 1 1 33 33 PRO C C 33 175.739 175.739 177.179 -1.440 25564 10598 1 20 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.325 0.641 25564 10599 1 20 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.420 0.555 25564 10600 1 20 . 1 1 34 34 GLN N N 34 122.510 122.510 120.450 2.060 25564 10601 1 20 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.166 -0.012 25564 10602 1 20 . 1 1 34 34 GLN C C 34 177.396 177.396 175.900 1.496 25564 10603 1 20 . 1 1 34 34 GLN CA C 34 57.503 57.503 57.174 0.329 25564 10604 1 20 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.782 0.864 25564 10605 1 20 . 1 1 34 34 GLN H H 34 10.310 10.310 8.586 1.724 25564 10606 1 20 . 1 1 35 35 ALA N N 35 123.797 123.797 123.594 0.203 25564 10607 1 20 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.385 0.093 25564 10608 1 20 . 1 1 35 35 ALA C C 35 174.959 174.959 175.364 -0.405 25564 10609 1 20 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.751 0.116 25564 10610 1 20 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.740 0.430 25564 10611 1 20 . 1 1 35 35 ALA H H 35 8.725 8.725 7.833 0.892 25564 10612 1 20 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.490 0.093 25564 10613 1 20 . 1 1 36 36 PRO C C 36 175.555 175.555 175.827 -0.272 25564 10614 1 20 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.084 -0.082 25564 10615 1 20 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.381 -1.406 25564 10616 1 20 . 1 1 37 37 ILE N N 37 114.656 114.656 119.137 -4.481 25564 10617 1 20 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.621 -0.221 25564 10618 1 20 . 1 1 37 37 ILE C C 37 176.204 176.204 175.625 0.579 25564 10619 1 20 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.093 2.018 25564 10620 1 20 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.657 0.985 25564 10621 1 20 . 1 1 37 37 ILE H H 37 7.946 7.946 7.980 -0.034 25564 10622 1 20 . 1 1 38 38 THR N N 38 109.332 109.332 113.050 -3.718 25564 10623 1 20 . 1 1 38 38 THR HA H 38 4.576 4.576 4.682 -0.106 25564 10624 1 20 . 1 1 38 38 THR C C 38 175.325 175.325 175.472 -0.147 25564 10625 1 20 . 1 1 38 38 THR CA C 38 61.858 61.858 62.108 -0.251 25564 10626 1 20 . 1 1 38 38 THR CB C 38 69.971 69.971 70.823 -0.852 25564 10627 1 20 . 1 1 38 38 THR H H 38 9.767 9.767 9.052 0.715 25564 10628 1 20 . 1 1 39 39 GLY N N 39 109.326 109.326 109.794 -0.468 25564 10629 1 20 . 1 1 39 39 GLY C C 39 169.390 169.390 171.597 -2.207 25564 10630 1 20 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.077 -0.437 25564 10631 1 20 . 1 1 39 39 GLY H H 39 7.641 7.641 8.031 -0.390 25564 10632 1 20 . 1 1 40 40 TYR N N 40 113.638 113.638 118.346 -4.708 25564 10633 1 20 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.652 -0.300 25564 10634 1 20 . 1 1 40 40 TYR C C 40 174.719 174.719 175.005 -0.286 25564 10635 1 20 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.481 0.507 25564 10636 1 20 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.058 0.261 25564 10637 1 20 . 1 1 40 40 TYR H H 40 8.470 8.470 8.767 -0.297 25564 10638 1 20 . 1 1 41 41 ARG N N 41 125.140 125.140 121.788 3.352 25564 10639 1 20 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.565 -0.283 25564 10640 1 20 . 1 1 41 41 ARG C C 41 173.714 173.714 175.193 -1.479 25564 10641 1 20 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.448 1.321 25564 10642 1 20 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.725 0.976 25564 10643 1 20 . 1 1 41 41 ARG H H 41 9.148 9.148 9.057 0.091 25564 10644 1 20 . 1 1 42 42 ILE N N 42 126.999 126.999 122.598 4.401 25564 10645 1 20 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.130 0.212 25564 10646 1 20 . 1 1 42 42 ILE C C 42 174.706 174.706 174.748 -0.042 25564 10647 1 20 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.697 -1.914 25564 10648 1 20 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.934 -0.540 25564 10649 1 20 . 1 1 42 42 ILE H H 42 9.237 9.237 8.871 0.366 25564 10650 1 20 . 1 1 43 43 VAL N N 43 126.775 126.775 128.892 -2.117 25564 10651 1 20 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.925 0.423 25564 10652 1 20 . 1 1 43 43 VAL C C 43 175.795 175.795 175.431 0.364 25564 10653 1 20 . 1 1 43 43 VAL CA C 43 60.604 60.604 61.091 -0.487 25564 10654 1 20 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.089 2.090 25564 10655 1 20 . 1 1 43 43 VAL H H 43 9.369 9.369 9.023 0.346 25564 10656 1 20 . 1 1 44 44 TYR N N 44 122.788 122.788 126.411 -3.623 25564 10657 1 20 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.012 0.232 25564 10658 1 20 . 1 1 44 44 TYR C C 44 174.353 174.353 175.039 -0.686 25564 10659 1 20 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.554 0.856 25564 10660 1 20 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.492 2.858 25564 10661 1 20 . 1 1 44 44 TYR H H 44 9.253 9.253 8.853 0.400 25564 10662 1 20 . 1 1 45 45 SER N N 45 114.339 114.339 116.354 -2.015 25564 10663 1 20 . 1 1 45 45 SER HA H 45 5.208 5.208 4.963 0.245 25564 10664 1 20 . 1 1 45 45 SER C C 45 171.693 171.693 172.131 -0.438 25564 10665 1 20 . 1 1 45 45 SER CA C 45 55.870 55.870 55.079 0.791 25564 10666 1 20 . 1 1 45 45 SER CB C 45 65.646 65.646 65.219 0.427 25564 10667 1 20 . 1 1 45 45 SER H H 45 8.797 8.797 9.092 -0.295 25564 10668 1 20 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.754 -0.368 25564 10669 1 20 . 1 1 46 46 PRO C C 46 177.666 177.666 176.694 0.972 25564 10670 1 20 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.700 0.992 25564 10671 1 20 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.002 0.015 25564 10672 1 20 . 1 1 47 47 SER N N 47 118.732 118.732 117.900 0.832 25564 10673 1 20 . 1 1 47 47 SER HA H 47 4.069 4.069 4.259 -0.190 25564 10674 1 20 . 1 1 47 47 SER C C 47 175.055 175.055 175.605 -0.550 25564 10675 1 20 . 1 1 47 47 SER CA C 47 60.992 60.992 60.511 0.481 25564 10676 1 20 . 1 1 47 47 SER CB C 47 63.541 63.541 63.566 -0.026 25564 10677 1 20 . 1 1 47 47 SER H H 47 8.648 8.648 8.244 0.404 25564 10678 1 20 . 1 1 48 48 VAL N N 48 117.213 117.213 114.363 2.850 25564 10679 1 20 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.193 -0.111 25564 10680 1 20 . 1 1 48 48 VAL C C 48 175.456 175.456 175.781 -0.325 25564 10681 1 20 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.722 0.265 25564 10682 1 20 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.538 0.331 25564 10683 1 20 . 1 1 48 48 VAL H H 48 7.640 7.640 7.722 -0.082 25564 10684 1 20 . 1 1 49 49 GLU N N 49 119.528 119.528 122.719 -3.191 25564 10685 1 20 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.342 -0.194 25564 10686 1 20 . 1 1 49 49 GLU C C 49 176.081 176.081 176.753 -0.672 25564 10687 1 20 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.216 0.958 25564 10688 1 20 . 1 1 49 49 GLU CB C 49 30.168 30.168 29.936 0.231 25564 10689 1 20 . 1 1 49 49 GLU H H 49 8.150 8.150 7.662 0.488 25564 10690 1 20 . 1 1 50 50 GLY N N 50 108.013 108.013 107.160 0.853 25564 10691 1 20 . 1 1 50 50 GLY C C 50 173.617 173.617 174.599 -0.982 25564 10692 1 20 . 1 1 50 50 GLY CA C 50 45.410 45.410 45.014 0.396 25564 10693 1 20 . 1 1 50 50 GLY H H 50 8.144 8.144 8.572 -0.428 25564 10694 1 20 . 1 1 51 51 SER N N 51 115.893 115.893 119.239 -3.346 25564 10695 1 20 . 1 1 51 51 SER HA H 51 4.604 4.604 4.664 -0.060 25564 10696 1 20 . 1 1 51 51 SER CA C 51 58.145 58.145 58.687 -0.541 25564 10697 1 20 . 1 1 51 51 SER CB C 51 64.429 64.429 63.098 1.331 25564 10698 1 20 . 1 1 51 51 SER H H 51 8.248 8.248 8.243 0.005 25564 10699 1 20 . 1 1 52 52 SER HA H 52 4.795 4.795 5.613 -0.818 25564 10700 1 20 . 1 1 52 52 SER C C 52 173.840 173.840 174.093 -0.253 25564 10701 1 20 . 1 1 52 52 SER CA C 52 58.319 58.319 56.690 1.629 25564 10702 1 20 . 1 1 52 52 SER CB C 52 65.231 65.231 66.297 -1.066 25564 10703 1 20 . 1 1 53 53 THR N N 53 121.052 121.052 117.219 3.833 25564 10704 1 20 . 1 1 53 53 THR HA H 53 4.294 4.294 4.446 -0.152 25564 10705 1 20 . 1 1 53 53 THR C C 53 171.241 171.241 171.887 -0.646 25564 10706 1 20 . 1 1 53 53 THR CA C 53 62.799 62.799 61.431 1.368 25564 10707 1 20 . 1 1 53 53 THR CB C 53 70.995 70.995 72.323 -1.328 25564 10708 1 20 . 1 1 53 53 THR H H 53 8.344 8.344 8.436 -0.092 25564 10709 1 20 . 1 1 54 54 GLU N N 54 125.190 125.190 125.921 -0.731 25564 10710 1 20 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.573 0.041 25564 10711 1 20 . 1 1 54 54 GLU C C 54 175.175 175.175 175.297 -0.122 25564 10712 1 20 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.223 0.289 25564 10713 1 20 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.496 2.175 25564 10714 1 20 . 1 1 54 54 GLU H H 54 8.458 8.458 8.522 -0.064 25564 10715 1 20 . 1 1 55 55 LEU N N 55 125.745 125.745 126.295 -0.550 25564 10716 1 20 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.757 0.098 25564 10717 1 20 . 1 1 55 55 LEU C C 55 175.121 175.121 174.819 0.302 25564 10718 1 20 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.877 0.129 25564 10719 1 20 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.139 0.597 25564 10720 1 20 . 1 1 55 55 LEU H H 55 9.755 9.755 8.700 1.055 25564 10721 1 20 . 1 1 56 56 ASN N N 56 120.517 120.517 120.150 0.367 25564 10722 1 20 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.823 -0.259 25564 10723 1 20 . 1 1 56 56 ASN C C 56 174.180 174.180 174.059 0.121 25564 10724 1 20 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.308 0.967 25564 10725 1 20 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.234 1.217 25564 10726 1 20 . 1 1 56 56 ASN H H 56 8.727 8.727 8.500 0.227 25564 10727 1 20 . 1 1 57 57 LEU N N 57 123.534 123.534 125.892 -2.358 25564 10728 1 20 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.072 0.063 25564 10729 1 20 . 1 1 57 57 LEU C C 57 174.960 174.960 174.909 0.051 25564 10730 1 20 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.524 0.601 25564 10731 1 20 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.787 0.021 25564 10732 1 20 . 1 1 57 57 LEU H H 57 9.075 9.075 8.810 0.265 25564 10733 1 20 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.571 0.484 25564 10734 1 20 . 1 1 58 58 PRO C C 58 176.897 176.897 178.289 -1.392 25564 10735 1 20 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.541 0.049 25564 10736 1 20 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.178 1.689 25564 10737 1 20 . 1 1 59 59 GLU N N 59 117.522 117.522 120.240 -2.718 25564 10738 1 20 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.106 -0.125 25564 10739 1 20 . 1 1 59 59 GLU C C 59 175.246 175.246 176.723 -1.477 25564 10740 1 20 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.894 -0.989 25564 10741 1 20 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.929 -0.005 25564 10742 1 20 . 1 1 59 59 GLU H H 59 8.905 8.905 8.841 0.064 25564 10743 1 20 . 1 1 60 60 THR N N 60 106.153 106.153 111.543 -5.390 25564 10744 1 20 . 1 1 60 60 THR HA H 60 4.155 4.155 4.360 -0.205 25564 10745 1 20 . 1 1 60 60 THR C C 60 175.087 175.087 173.808 1.279 25564 10746 1 20 . 1 1 60 60 THR CA C 60 61.646 61.646 60.637 1.009 25564 10747 1 20 . 1 1 60 60 THR CB C 60 69.638 69.638 67.991 1.647 25564 10748 1 20 . 1 1 60 60 THR H H 60 7.056 7.056 7.891 -0.835 25564 10749 1 20 . 1 1 61 61 ALA N N 61 125.590 125.590 123.710 1.880 25564 10750 1 20 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.222 0.128 25564 10751 1 20 . 1 1 61 61 ALA C C 61 176.988 176.988 176.143 0.845 25564 10752 1 20 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.686 1.784 25564 10753 1 20 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.970 1.254 25564 10754 1 20 . 1 1 61 61 ALA H H 61 7.808 7.808 7.969 -0.161 25564 10755 1 20 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.581 0.082 25564 10756 1 20 . 1 1 62 62 ASN C C 62 171.666 171.666 172.578 -0.912 25564 10757 1 20 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.177 0.001 25564 10758 1 20 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.943 -0.267 25564 10759 1 20 . 1 1 63 63 SER N N 63 109.802 109.802 113.646 -3.844 25564 10760 1 20 . 1 1 63 63 SER HA H 63 4.341 4.341 4.436 -0.095 25564 10761 1 20 . 1 1 63 63 SER C C 63 172.378 172.378 172.355 0.023 25564 10762 1 20 . 1 1 63 63 SER CA C 63 56.541 56.541 57.248 -0.708 25564 10763 1 20 . 1 1 63 63 SER CB C 63 65.498 65.498 64.862 0.635 25564 10764 1 20 . 1 1 63 63 SER H H 63 6.764 6.764 6.685 0.079 25564 10765 1 20 . 1 1 64 64 VAL N N 64 117.873 117.873 121.628 -3.755 25564 10766 1 20 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.535 -0.095 25564 10767 1 20 . 1 1 64 64 VAL C C 64 171.395 171.395 174.330 -2.935 25564 10768 1 20 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.414 1.330 25564 10769 1 20 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.773 0.318 25564 10770 1 20 . 1 1 64 64 VAL H H 64 8.793 8.793 8.760 0.033 25564 10771 1 20 . 1 1 65 65 THR N N 65 123.328 123.328 124.638 -1.310 25564 10772 1 20 . 1 1 65 65 THR HA H 65 4.703 4.703 4.545 0.158 25564 10773 1 20 . 1 1 65 65 THR C C 65 173.608 173.608 174.138 -0.530 25564 10774 1 20 . 1 1 65 65 THR CA C 65 62.094 62.094 62.032 0.062 25564 10775 1 20 . 1 1 65 65 THR CB C 65 69.754 69.754 68.731 1.023 25564 10776 1 20 . 1 1 65 65 THR H H 65 8.377 8.377 8.509 -0.132 25564 10777 1 20 . 1 1 66 66 LEU N N 66 130.029 130.029 128.823 1.206 25564 10778 1 20 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.199 0.152 25564 10779 1 20 . 1 1 66 66 LEU C C 66 174.738 174.738 176.138 -1.400 25564 10780 1 20 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.633 -1.075 25564 10781 1 20 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.924 -0.718 25564 10782 1 20 . 1 1 66 66 LEU H H 66 9.232 9.232 8.526 0.706 25564 10783 1 20 . 1 1 67 67 SER N N 67 117.107 117.107 115.007 2.100 25564 10784 1 20 . 1 1 67 67 SER HA H 67 4.936 4.936 5.202 -0.266 25564 10785 1 20 . 1 1 67 67 SER C C 67 172.509 172.509 173.727 -1.218 25564 10786 1 20 . 1 1 67 67 SER CA C 67 57.340 57.340 56.551 0.789 25564 10787 1 20 . 1 1 67 67 SER CB C 67 66.115 66.115 66.019 0.096 25564 10788 1 20 . 1 1 67 67 SER H H 67 8.174 8.174 8.416 -0.242 25564 10789 1 20 . 1 1 68 68 ASP N N 68 116.924 116.924 119.254 -2.330 25564 10790 1 20 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.295 0.059 25564 10791 1 20 . 1 1 68 68 ASP C C 68 175.654 175.654 174.619 1.035 25564 10792 1 20 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.805 -0.203 25564 10793 1 20 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.862 -0.148 25564 10794 1 20 . 1 1 68 68 ASP H H 68 9.003 9.003 8.303 0.700 25564 10795 1 20 . 1 1 69 69 LEU N N 69 116.713 116.713 115.752 0.961 25564 10796 1 20 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.299 0.037 25564 10797 1 20 . 1 1 69 69 LEU C C 69 175.793 175.793 176.807 -1.014 25564 10798 1 20 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.660 -1.113 25564 10799 1 20 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.757 -1.723 25564 10800 1 20 . 1 1 69 69 LEU H H 69 8.605 8.605 7.342 1.263 25564 10801 1 20 . 1 1 70 70 GLN N N 70 118.301 118.301 119.024 -0.723 25564 10802 1 20 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.839 -0.073 25564 10803 1 20 . 1 1 70 70 GLN C C 70 174.178 174.178 173.790 0.388 25564 10804 1 20 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.308 0.640 25564 10805 1 20 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.347 -0.721 25564 10806 1 20 . 1 1 70 70 GLN H H 70 8.288 8.288 8.491 -0.203 25564 10807 1 20 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.197 1.055 25564 10808 1 20 . 1 1 71 71 PRO C C 71 177.837 177.837 177.375 0.462 25564 10809 1 20 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.573 -0.475 25564 10810 1 20 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.674 1.719 25564 10811 1 20 . 1 1 72 72 GLY N N 72 111.077 111.077 111.713 -0.636 25564 10812 1 20 . 1 1 72 72 GLY C C 72 174.621 174.621 173.333 1.288 25564 10813 1 20 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.317 1.909 25564 10814 1 20 . 1 1 72 72 GLY H H 72 7.348 7.348 8.396 -1.048 25564 10815 1 20 . 1 1 73 73 VAL N N 73 120.434 120.434 118.388 2.046 25564 10816 1 20 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.425 -0.313 25564 10817 1 20 . 1 1 73 73 VAL C C 73 173.963 173.963 174.486 -0.523 25564 10818 1 20 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.532 1.162 25564 10819 1 20 . 1 1 73 73 VAL CB C 73 35.423 35.423 36.054 -0.631 25564 10820 1 20 . 1 1 73 73 VAL H H 73 7.670 7.670 8.191 -0.521 25564 10821 1 20 . 1 1 74 74 GLN N N 74 123.606 123.606 123.926 -0.320 25564 10822 1 20 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.466 -0.259 25564 10823 1 20 . 1 1 74 74 GLN C C 74 174.283 174.283 174.599 -0.316 25564 10824 1 20 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.622 0.883 25564 10825 1 20 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.769 1.706 25564 10826 1 20 . 1 1 74 74 GLN H H 74 8.263 8.263 8.717 -0.454 25564 10827 1 20 . 1 1 75 75 TYR N N 75 127.153 127.153 128.459 -1.306 25564 10828 1 20 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.871 -0.131 25564 10829 1 20 . 1 1 75 75 TYR C C 75 174.412 174.412 174.866 -0.454 25564 10830 1 20 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.566 1.617 25564 10831 1 20 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.605 0.276 25564 10832 1 20 . 1 1 75 75 TYR H H 75 8.916 8.916 9.137 -0.221 25564 10833 1 20 . 1 1 76 76 ASN N N 76 120.363 120.363 123.767 -3.404 25564 10834 1 20 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.088 0.105 25564 10835 1 20 . 1 1 76 76 ASN C C 76 174.903 174.903 174.406 0.497 25564 10836 1 20 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.504 0.335 25564 10837 1 20 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.924 1.415 25564 10838 1 20 . 1 1 76 76 ASN H H 76 9.014 9.014 8.874 0.140 25564 10839 1 20 . 1 1 77 77 ILE N N 77 127.376 127.376 127.707 -0.331 25564 10840 1 20 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.427 0.221 25564 10841 1 20 . 1 1 77 77 ILE C C 77 173.510 173.510 175.088 -1.578 25564 10842 1 20 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.225 0.131 25564 10843 1 20 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.053 2.858 25564 10844 1 20 . 1 1 77 77 ILE H H 77 9.466 9.466 9.134 0.332 25564 10845 1 20 . 1 1 78 78 THR N N 78 124.282 124.282 126.676 -2.394 25564 10846 1 20 . 1 1 78 78 THR HA H 78 5.117 5.117 5.440 -0.323 25564 10847 1 20 . 1 1 78 78 THR C C 78 173.140 173.140 173.661 -0.521 25564 10848 1 20 . 1 1 78 78 THR CA C 78 61.961 61.961 60.809 1.152 25564 10849 1 20 . 1 1 78 78 THR CB C 78 70.244 70.244 69.863 0.381 25564 10850 1 20 . 1 1 78 78 THR H H 78 9.535 9.535 8.800 0.735 25564 10851 1 20 . 1 1 79 79 ILE N N 79 125.033 125.033 126.169 -1.136 25564 10852 1 20 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.128 0.463 25564 10853 1 20 . 1 1 79 79 ILE C C 79 173.827 173.827 174.717 -0.890 25564 10854 1 20 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.249 2.498 25564 10855 1 20 . 1 1 79 79 ILE CB C 79 41.270 41.270 37.574 3.696 25564 10856 1 20 . 1 1 79 79 ILE H H 79 8.974 8.974 8.393 0.581 25564 10857 1 20 . 1 1 80 80 TYR N N 80 122.647 122.647 126.033 -3.386 25564 10858 1 20 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.551 -0.032 25564 10859 1 20 . 1 1 80 80 TYR C C 80 177.072 177.072 173.952 3.120 25564 10860 1 20 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.772 0.629 25564 10861 1 20 . 1 1 80 80 TYR CB C 80 40.900 40.900 39.387 1.513 25564 10862 1 20 . 1 1 80 80 TYR H H 80 9.137 9.137 8.989 0.148 25564 10863 1 20 . 1 1 81 81 ALA N N 81 124.412 124.412 127.426 -3.014 25564 10864 1 20 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.688 1.065 25564 10865 1 20 . 1 1 81 81 ALA C C 81 175.811 175.811 175.006 0.805 25564 10866 1 20 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.877 0.780 25564 10867 1 20 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.514 1.802 25564 10868 1 20 . 1 1 81 81 ALA H H 81 8.764 8.764 8.750 0.014 25564 10869 1 20 . 1 1 82 82 VAL N N 82 120.278 120.278 123.964 -3.686 25564 10870 1 20 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.424 0.189 25564 10871 1 20 . 1 1 82 82 VAL C C 82 174.662 174.662 173.960 0.702 25564 10872 1 20 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.222 0.957 25564 10873 1 20 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.814 -1.143 25564 10874 1 20 . 1 1 82 82 VAL H H 82 8.276 8.276 8.664 -0.388 25564 10875 1 20 . 1 1 83 83 GLU N N 83 127.125 127.125 127.028 0.097 25564 10876 1 20 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.814 -0.277 25564 10877 1 20 . 1 1 83 83 GLU C C 83 175.133 175.133 177.858 -2.725 25564 10878 1 20 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.495 1.505 25564 10879 1 20 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.090 0.626 25564 10880 1 20 . 1 1 83 83 GLU H H 83 8.849 8.849 8.556 0.293 25564 10881 1 20 . 1 1 84 84 GLU N N 84 125.009 125.009 121.696 3.313 25564 10882 1 20 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.949 -0.267 25564 10883 1 20 . 1 1 84 84 GLU C C 84 174.988 174.988 176.969 -1.981 25564 10884 1 20 . 1 1 84 84 GLU CA C 84 59.362 59.362 60.178 -0.816 25564 10885 1 20 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.452 -1.730 25564 10886 1 20 . 1 1 84 84 GLU H H 84 8.952 8.952 9.024 -0.072 25564 10887 1 20 . 1 1 85 85 ASN N N 85 119.010 119.010 114.345 4.665 25564 10888 1 20 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.819 -0.113 25564 10889 1 20 . 1 1 85 85 ASN C C 85 174.499 174.499 173.836 0.663 25564 10890 1 20 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.168 0.785 25564 10891 1 20 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.152 -0.122 25564 10892 1 20 . 1 1 85 85 ASN H H 85 8.412 8.412 8.258 0.154 25564 10893 1 20 . 1 1 86 86 GLN N N 86 119.080 119.080 118.302 0.778 25564 10894 1 20 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.633 -0.029 25564 10895 1 20 . 1 1 86 86 GLN C C 86 174.270 174.270 173.789 0.481 25564 10896 1 20 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.487 0.805 25564 10897 1 20 . 1 1 86 86 GLN CB C 86 32.011 32.011 33.096 -1.085 25564 10898 1 20 . 1 1 86 86 GLN H H 86 8.086 8.086 7.511 0.575 25564 10899 1 20 . 1 1 87 87 GLU N N 87 120.589 120.589 119.353 1.236 25564 10900 1 20 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.680 0.534 25564 10901 1 20 . 1 1 87 87 GLU C C 87 176.092 176.092 175.512 0.580 25564 10902 1 20 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.426 -0.704 25564 10903 1 20 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.269 1.446 25564 10904 1 20 . 1 1 87 87 GLU H H 87 8.498 8.498 8.618 -0.120 25564 10905 1 20 . 1 1 88 88 SER N N 88 116.013 116.013 120.629 -4.616 25564 10906 1 20 . 1 1 88 88 SER HA H 88 4.547 4.547 4.462 0.085 25564 10907 1 20 . 1 1 88 88 SER C C 88 175.202 175.202 174.885 0.317 25564 10908 1 20 . 1 1 88 88 SER CA C 88 58.211 58.211 59.235 -1.024 25564 10909 1 20 . 1 1 88 88 SER CB C 88 66.959 66.959 64.064 2.895 25564 10910 1 20 . 1 1 88 88 SER H H 88 8.954 8.954 8.861 0.093 25564 10911 1 20 . 1 1 89 89 THR N N 89 114.798 114.798 113.852 0.946 25564 10912 1 20 . 1 1 89 89 THR HA H 89 4.520 4.520 4.334 0.186 25564 10913 1 20 . 1 1 89 89 THR C C 89 173.754 173.754 173.298 0.456 25564 10914 1 20 . 1 1 89 89 THR CA C 89 61.673 61.673 61.346 0.327 25564 10915 1 20 . 1 1 89 89 THR CB C 89 69.286 69.286 68.764 0.522 25564 10916 1 20 . 1 1 89 89 THR H H 89 8.559 8.559 8.216 0.343 25564 10917 1 20 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.535 -0.380 25564 10918 1 20 . 1 1 90 90 PRO C C 90 177.970 177.970 176.235 1.735 25564 10919 1 20 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.562 1.163 25564 10920 1 20 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.968 -0.565 25564 10921 1 20 . 1 1 91 91 VAL N N 91 120.679 120.679 123.512 -2.833 25564 10922 1 20 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.026 0.251 25564 10923 1 20 . 1 1 91 91 VAL C C 91 173.958 173.958 174.829 -0.871 25564 10924 1 20 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.699 -0.101 25564 10925 1 20 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.251 1.696 25564 10926 1 20 . 1 1 91 91 VAL H H 91 8.189 8.189 8.477 -0.288 25564 10927 1 20 . 1 1 92 92 VAL N N 92 125.593 125.593 127.900 -2.307 25564 10928 1 20 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.707 0.300 25564 10929 1 20 . 1 1 92 92 VAL C C 92 176.045 176.045 175.428 0.617 25564 10930 1 20 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.129 0.232 25564 10931 1 20 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.363 1.771 25564 10932 1 20 . 1 1 92 92 VAL H H 92 8.300 8.300 8.416 -0.116 25564 10933 1 20 . 1 1 93 93 ILE N N 93 127.733 127.733 124.503 3.230 25564 10934 1 20 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.700 -0.284 25564 10935 1 20 . 1 1 93 93 ILE C C 93 174.071 174.071 174.394 -0.323 25564 10936 1 20 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.704 0.134 25564 10937 1 20 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.707 2.525 25564 10938 1 20 . 1 1 93 93 ILE H H 93 9.471 9.471 9.018 0.453 25564 10939 1 20 . 1 1 94 94 GLN N N 94 123.610 123.610 126.939 -3.329 25564 10940 1 20 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.198 0.343 25564 10941 1 20 . 1 1 94 94 GLN C C 94 175.328 175.328 175.299 0.029 25564 10942 1 20 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.554 0.028 25564 10943 1 20 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.160 1.869 25564 10944 1 20 . 1 1 94 94 GLN H H 94 8.522 8.522 8.648 -0.126 25564 10945 1 20 . 1 1 95 95 GLN N N 95 123.044 123.044 124.031 -0.987 25564 10946 1 20 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.690 -0.180 25564 10947 1 20 . 1 1 95 95 GLN C C 95 173.530 173.530 174.540 -1.010 25564 10948 1 20 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.466 0.456 25564 10949 1 20 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.937 -0.414 25564 10950 1 20 . 1 1 95 95 GLN H H 95 8.893 8.893 9.072 -0.179 25564 10951 1 20 . 1 1 96 96 GLU N N 96 128.881 128.881 125.487 3.394 25564 10952 1 20 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.992 0.751 25564 10953 1 20 . 1 1 96 96 GLU C C 96 178.926 178.926 176.708 2.218 25564 10954 1 20 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.774 -0.955 25564 10955 1 20 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.751 0.774 25564 10956 1 20 . 1 1 96 96 GLU H H 96 8.913 8.913 8.668 0.245 25564 10957 1 20 . 1 1 97 97 THR N N 97 116.022 116.022 119.168 -3.146 25564 10958 1 20 . 1 1 97 97 THR HA H 97 4.344 4.344 4.370 -0.026 25564 10959 1 20 . 1 1 97 97 THR C C 97 176.660 176.660 175.622 1.038 25564 10960 1 20 . 1 1 97 97 THR CA C 97 61.453 61.453 63.020 -1.567 25564 10961 1 20 . 1 1 97 97 THR CB C 97 69.742 69.742 69.138 0.604 25564 10962 1 20 . 1 1 97 97 THR H H 97 8.740 8.740 9.014 -0.274 25564 10963 1 20 . 1 1 98 98 THR N N 98 110.068 110.068 121.190 -11.122 25564 10964 1 20 . 1 1 98 98 THR HA H 98 4.270 4.270 4.056 0.214 25564 10965 1 20 . 1 1 98 98 THR C C 98 173.859 173.859 175.265 -1.406 25564 10966 1 20 . 1 1 98 98 THR CA C 98 62.659 62.659 64.261 -1.602 25564 10967 1 20 . 1 1 98 98 THR CB C 98 69.654 69.654 68.988 0.666 25564 10968 1 20 . 1 1 98 98 THR H H 98 7.287 7.287 8.750 -1.463 25564 10969 1 20 . 1 1 99 99 GLY N N 99 103.540 103.540 109.753 -6.213 25564 10970 1 20 . 1 1 99 99 GLY C C 99 174.225 174.225 173.691 0.534 25564 10971 1 20 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.638 0.317 25564 10972 1 20 . 1 1 99 99 GLY H H 99 8.033 8.033 7.424 0.609 25564 10973 1 20 . 1 1 100 100 THR N N 100 114.887 114.887 119.210 -4.323 25564 10974 1 20 . 1 1 100 100 THR HA H 100 4.623 4.623 4.392 0.231 25564 10975 1 20 . 1 1 100 100 THR C C 100 172.336 172.336 172.916 -0.580 25564 10976 1 20 . 1 1 100 100 THR CA C 100 59.775 59.775 62.741 -2.966 25564 10977 1 20 . 1 1 100 100 THR CB C 100 70.644 70.644 68.662 1.982 25564 10978 1 20 . 1 1 100 100 THR H H 100 8.055 8.055 8.079 -0.024 25564 10979 1 20 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.154 0.345 25564 10980 1 20 . 1 1 101 101 PRO C C 101 177.344 177.344 176.134 1.210 25564 10981 1 20 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.627 -0.519 25564 10982 1 20 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.435 0.851 25564 10983 1 20 . 1 1 102 102 ARG N N 102 122.476 122.476 126.394 -3.918 25564 10984 1 20 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.432 -0.118 25564 10985 1 20 . 1 1 102 102 ARG C C 102 176.790 176.790 175.841 0.949 25564 10986 1 20 . 1 1 102 102 ARG CA C 102 56.404 56.404 55.721 0.683 25564 10987 1 20 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.322 0.943 25564 10988 1 20 . 1 1 102 102 ARG H H 102 8.771 8.771 8.046 0.725 25564 10989 1 20 . 1 1 103 103 SER HA H 103 4.523 4.523 4.356 0.167 25564 10990 1 20 . 1 1 103 103 SER CA C 103 58.311 58.311 59.345 -1.034 25564 10991 1 20 . 1 1 103 103 SER CB C 103 64.168 64.168 63.529 0.639 25564 10992 1 20 . 1 1 104 104 ASP N N 104 122.461 122.461 122.283 0.178 25564 10993 1 20 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.424 0.224 25564 10994 1 20 . 1 1 104 104 ASP CA C 104 54.566 54.566 55.248 -0.682 25564 10995 1 20 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.150 1.233 25564 10996 1 20 . 1 1 104 104 ASP H H 104 8.418 8.418 8.811 -0.393 25564 10997 1 20 . 1 1 105 105 GLY N N 105 109.250 109.250 105.430 3.820 25564 10998 1 20 . 1 1 105 105 GLY C C 105 173.987 173.987 174.727 -0.740 25564 10999 1 20 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.297 0.476 25564 11000 1 20 . 1 1 105 105 GLY H H 105 8.390 8.390 8.367 0.023 25564 11001 1 21 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.392 0.231 25564 11002 1 21 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.172 0.764 25564 11003 1 21 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.061 1.210 25564 11004 1 21 . 1 1 7 7 THR HA H 7 4.470 4.470 4.377 0.093 25564 11005 1 21 . 1 1 7 7 THR CA C 7 61.923 61.923 61.729 0.194 25564 11006 1 21 . 1 1 7 7 THR CB C 7 70.142 70.142 68.600 1.542 25564 11007 1 21 . 1 1 8 8 THR N N 8 116.706 116.706 120.300 -3.594 25564 11008 1 21 . 1 1 8 8 THR HA H 8 4.371 4.371 4.174 0.197 25564 11009 1 21 . 1 1 8 8 THR C C 8 173.590 173.590 174.917 -1.327 25564 11010 1 21 . 1 1 8 8 THR CA C 8 61.606 61.606 63.545 -1.939 25564 11011 1 21 . 1 1 8 8 THR CB C 8 70.303 70.303 69.358 0.945 25564 11012 1 21 . 1 1 8 8 THR H H 8 8.238 8.238 7.724 0.514 25564 11013 1 21 . 1 1 9 9 ALA N N 9 127.030 127.030 130.091 -3.061 25564 11014 1 21 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.624 -0.331 25564 11015 1 21 . 1 1 9 9 ALA C C 9 175.005 175.005 175.837 -0.832 25564 11016 1 21 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.883 0.930 25564 11017 1 21 . 1 1 9 9 ALA CB C 9 18.430 18.430 18.949 -0.519 25564 11018 1 21 . 1 1 9 9 ALA H H 9 8.220 8.220 8.139 0.081 25564 11019 1 21 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.488 -0.159 25564 11020 1 21 . 1 1 10 10 PRO C C 10 175.138 175.138 175.444 -0.306 25564 11021 1 21 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.720 0.077 25564 11022 1 21 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.745 -0.908 25564 11023 1 21 . 1 1 11 11 ASP N N 11 116.244 116.244 119.575 -3.331 25564 11024 1 21 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.668 -0.258 25564 11025 1 21 . 1 1 11 11 ASP C C 11 174.009 174.009 174.822 -0.813 25564 11026 1 21 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.258 1.125 25564 11027 1 21 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.788 -2.959 25564 11028 1 21 . 1 1 11 11 ASP H H 11 9.038 9.038 8.286 0.752 25564 11029 1 21 . 1 1 12 12 ALA N N 12 120.012 120.012 122.226 -2.214 25564 11030 1 21 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.641 -0.174 25564 11031 1 21 . 1 1 12 12 ALA C C 12 175.669 175.669 175.438 0.231 25564 11032 1 21 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.960 0.280 25564 11033 1 21 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.600 -0.690 25564 11034 1 21 . 1 1 12 12 ALA H H 12 7.944 7.944 7.951 -0.007 25564 11035 1 21 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.999 -0.510 25564 11036 1 21 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.710 -0.385 25564 11037 1 21 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.301 0.528 25564 11038 1 21 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.326 0.160 25564 11039 1 21 . 1 1 14 14 PRO C C 14 175.966 175.966 176.151 -0.185 25564 11040 1 21 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.874 0.121 25564 11041 1 21 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.450 0.180 25564 11042 1 21 . 1 1 15 15 ASP N N 15 117.405 117.405 121.414 -4.009 25564 11043 1 21 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.453 0.105 25564 11044 1 21 . 1 1 15 15 ASP C C 15 173.011 173.011 174.853 -1.842 25564 11045 1 21 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.629 -0.399 25564 11046 1 21 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.334 0.988 25564 11047 1 21 . 1 1 15 15 ASP H H 15 8.470 8.470 8.529 -0.059 25564 11048 1 21 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.577 0.775 25564 11049 1 21 . 1 1 16 16 PRO C C 16 177.534 177.534 176.538 0.996 25564 11050 1 21 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.226 0.378 25564 11051 1 21 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.840 -1.356 25564 11052 1 21 . 1 1 17 17 THR N N 17 117.955 117.955 119.187 -1.232 25564 11053 1 21 . 1 1 17 17 THR HA H 17 4.563 4.563 4.504 0.059 25564 11054 1 21 . 1 1 17 17 THR C C 17 172.578 172.578 173.940 -1.362 25564 11055 1 21 . 1 1 17 17 THR CA C 17 61.093 61.093 61.836 -0.743 25564 11056 1 21 . 1 1 17 17 THR CB C 17 72.478 72.478 70.391 2.087 25564 11057 1 21 . 1 1 17 17 THR H H 17 9.415 9.415 8.600 0.815 25564 11058 1 21 . 1 1 18 18 VAL N N 18 124.494 124.494 128.480 -3.986 25564 11059 1 21 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.244 0.128 25564 11060 1 21 . 1 1 18 18 VAL C C 18 175.392 175.392 175.779 -0.387 25564 11061 1 21 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.966 -0.116 25564 11062 1 21 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.133 -0.058 25564 11063 1 21 . 1 1 18 18 VAL H H 18 8.645 8.645 8.732 -0.087 25564 11064 1 21 . 1 1 19 19 ASP N N 19 129.904 129.904 128.122 1.782 25564 11065 1 21 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.634 0.089 25564 11066 1 21 . 1 1 19 19 ASP C C 19 175.427 175.427 175.768 -0.341 25564 11067 1 21 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.371 -0.468 25564 11068 1 21 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.180 2.091 25564 11069 1 21 . 1 1 19 19 ASP H H 19 8.805 8.805 8.697 0.108 25564 11070 1 21 . 1 1 20 20 GLN N N 20 115.835 115.835 118.770 -2.935 25564 11071 1 21 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.622 -0.172 25564 11072 1 21 . 1 1 20 20 GLN C C 20 173.593 173.593 173.968 -0.375 25564 11073 1 21 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.921 1.024 25564 11074 1 21 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.853 -0.864 25564 11075 1 21 . 1 1 20 20 GLN H H 20 7.431 7.431 7.551 -0.119 25564 11076 1 21 . 1 1 21 21 VAL N N 21 122.956 122.956 124.534 -1.578 25564 11077 1 21 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.365 0.354 25564 11078 1 21 . 1 1 21 21 VAL C C 21 173.753 173.753 174.666 -0.913 25564 11079 1 21 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.590 -0.271 25564 11080 1 21 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.339 1.664 25564 11081 1 21 . 1 1 21 21 VAL H H 21 8.317 8.317 8.583 -0.266 25564 11082 1 21 . 1 1 22 22 ASP N N 22 129.722 129.722 126.574 3.148 25564 11083 1 21 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.023 -0.269 25564 11084 1 21 . 1 1 22 22 ASP C C 22 176.114 176.114 176.527 -0.413 25564 11085 1 21 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.607 1.032 25564 11086 1 21 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.357 -2.980 25564 11087 1 21 . 1 1 22 22 ASP H H 22 8.778 8.778 8.815 -0.037 25564 11088 1 21 . 1 1 23 23 ASP N N 23 115.970 115.970 119.231 -3.261 25564 11089 1 21 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.521 0.113 25564 11090 1 21 . 1 1 23 23 ASP C C 23 175.820 175.820 176.058 -0.238 25564 11091 1 21 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.192 -0.865 25564 11092 1 21 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.043 -0.137 25564 11093 1 21 . 1 1 23 23 ASP H H 23 8.049 8.049 8.599 -0.550 25564 11094 1 21 . 1 1 24 24 THR N N 24 97.756 97.756 107.078 -9.322 25564 11095 1 21 . 1 1 24 24 THR HA H 24 4.566 4.566 4.561 0.005 25564 11096 1 21 . 1 1 24 24 THR C C 24 174.274 174.274 172.936 1.338 25564 11097 1 21 . 1 1 24 24 THR CA C 24 59.595 59.595 60.830 -1.235 25564 11098 1 21 . 1 1 24 24 THR CB C 24 71.670 71.670 68.254 3.416 25564 11099 1 21 . 1 1 24 24 THR H H 24 7.392 7.392 7.910 -0.518 25564 11100 1 21 . 1 1 25 25 SER N N 25 116.249 116.249 115.089 1.160 25564 11101 1 21 . 1 1 25 25 SER HA H 25 5.440 5.440 5.405 0.035 25564 11102 1 21 . 1 1 25 25 SER C C 25 171.891 171.891 171.916 -0.025 25564 11103 1 21 . 1 1 25 25 SER CA C 25 57.670 57.670 58.034 -0.364 25564 11104 1 21 . 1 1 25 25 SER CB C 25 67.439 67.439 65.732 1.707 25564 11105 1 21 . 1 1 25 25 SER H H 25 7.693 7.693 7.267 0.426 25564 11106 1 21 . 1 1 26 26 ILE N N 26 118.594 118.594 122.752 -4.158 25564 11107 1 21 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.906 -0.492 25564 11108 1 21 . 1 1 26 26 ILE C C 26 174.020 174.020 173.698 0.322 25564 11109 1 21 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.471 0.663 25564 11110 1 21 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.814 2.274 25564 11111 1 21 . 1 1 26 26 ILE H H 26 8.141 8.141 8.793 -0.652 25564 11112 1 21 . 1 1 27 27 VAL N N 27 126.778 126.778 126.049 0.729 25564 11113 1 21 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.233 -0.260 25564 11114 1 21 . 1 1 27 27 VAL C C 27 175.692 175.692 174.924 0.768 25564 11115 1 21 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.529 1.920 25564 11116 1 21 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.208 0.605 25564 11117 1 21 . 1 1 27 27 VAL H H 27 8.642 8.642 8.863 -0.221 25564 11118 1 21 . 1 1 28 28 VAL N N 28 127.624 127.624 124.066 3.558 25564 11119 1 21 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.876 -0.016 25564 11120 1 21 . 1 1 28 28 VAL C C 28 173.467 173.467 173.992 -0.525 25564 11121 1 21 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.461 0.993 25564 11122 1 21 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.729 -0.777 25564 11123 1 21 . 1 1 28 28 VAL H H 28 8.656 8.656 8.895 -0.239 25564 11124 1 21 . 1 1 29 29 ARG N N 29 123.905 123.905 124.895 -0.990 25564 11125 1 21 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.878 -0.161 25564 11126 1 21 . 1 1 29 29 ARG C C 29 174.147 174.147 175.104 -0.957 25564 11127 1 21 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.486 0.380 25564 11128 1 21 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.703 1.488 25564 11129 1 21 . 1 1 29 29 ARG H H 29 9.075 9.075 8.409 0.666 25564 11130 1 21 . 1 1 30 30 TRP N N 30 116.284 116.284 124.146 -7.862 25564 11131 1 21 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.056 -0.210 25564 11132 1 21 . 1 1 30 30 TRP C C 30 174.778 174.778 175.714 -0.936 25564 11133 1 21 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.757 2.779 25564 11134 1 21 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.930 -0.632 25564 11135 1 21 . 1 1 30 30 TRP H H 30 7.512 7.512 7.906 -0.394 25564 11136 1 21 . 1 1 31 31 SER HA H 31 4.747 4.747 4.595 0.152 25564 11137 1 21 . 1 1 31 31 SER C C 31 172.773 172.773 174.423 -1.650 25564 11138 1 21 . 1 1 31 31 SER CA C 31 57.875 57.875 58.504 -0.629 25564 11139 1 21 . 1 1 31 31 SER CB C 31 64.093 64.093 63.024 1.069 25564 11140 1 21 . 1 1 32 32 ARG N N 32 122.062 122.062 127.173 -5.111 25564 11141 1 21 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.601 0.278 25564 11142 1 21 . 1 1 32 32 ARG C C 32 175.788 175.788 174.915 0.873 25564 11143 1 21 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.345 -1.060 25564 11144 1 21 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.443 1.977 25564 11145 1 21 . 1 1 32 32 ARG H H 32 8.337 8.337 7.897 0.440 25564 11146 1 21 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.647 -0.171 25564 11147 1 21 . 1 1 33 33 PRO C C 33 175.739 175.739 176.319 -0.580 25564 11148 1 21 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.242 0.723 25564 11149 1 21 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.964 0.011 25564 11150 1 21 . 1 1 34 34 GLN N N 34 122.510 122.510 120.063 2.447 25564 11151 1 21 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.247 -0.093 25564 11152 1 21 . 1 1 34 34 GLN C C 34 177.396 177.396 176.622 0.774 25564 11153 1 21 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.289 1.214 25564 11154 1 21 . 1 1 34 34 GLN CB C 34 29.646 29.646 29.404 0.242 25564 11155 1 21 . 1 1 34 34 GLN H H 34 10.310 10.310 8.688 1.622 25564 11156 1 21 . 1 1 35 35 ALA N N 35 123.797 123.797 124.565 -0.768 25564 11157 1 21 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.402 0.076 25564 11158 1 21 . 1 1 35 35 ALA C C 35 174.959 174.959 175.397 -0.438 25564 11159 1 21 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.224 0.643 25564 11160 1 21 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.689 0.481 25564 11161 1 21 . 1 1 35 35 ALA H H 35 8.725 8.725 7.797 0.928 25564 11162 1 21 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.479 0.104 25564 11163 1 21 . 1 1 36 36 PRO C C 36 175.555 175.555 175.755 -0.200 25564 11164 1 21 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.116 -0.114 25564 11165 1 21 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.384 -1.409 25564 11166 1 21 . 1 1 37 37 ILE N N 37 114.656 114.656 118.953 -4.297 25564 11167 1 21 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.628 -0.228 25564 11168 1 21 . 1 1 37 37 ILE C C 37 176.204 176.204 175.537 0.667 25564 11169 1 21 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.185 1.925 25564 11170 1 21 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.781 0.861 25564 11171 1 21 . 1 1 37 37 ILE H H 37 7.946 7.946 7.967 -0.021 25564 11172 1 21 . 1 1 38 38 THR N N 38 109.332 109.332 114.148 -4.816 25564 11173 1 21 . 1 1 38 38 THR HA H 38 4.576 4.576 4.645 -0.069 25564 11174 1 21 . 1 1 38 38 THR C C 38 175.325 175.325 175.468 -0.143 25564 11175 1 21 . 1 1 38 38 THR CA C 38 61.858 61.858 62.215 -0.357 25564 11176 1 21 . 1 1 38 38 THR CB C 38 69.971 69.971 70.620 -0.649 25564 11177 1 21 . 1 1 38 38 THR H H 38 9.767 9.767 9.038 0.729 25564 11178 1 21 . 1 1 39 39 GLY N N 39 109.326 109.326 109.573 -0.247 25564 11179 1 21 . 1 1 39 39 GLY C C 39 169.390 169.390 171.712 -2.322 25564 11180 1 21 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.015 -0.375 25564 11181 1 21 . 1 1 39 39 GLY H H 39 7.641 7.641 8.016 -0.375 25564 11182 1 21 . 1 1 40 40 TYR N N 40 113.638 113.638 118.152 -4.514 25564 11183 1 21 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.657 -0.305 25564 11184 1 21 . 1 1 40 40 TYR C C 40 174.719 174.719 175.131 -0.412 25564 11185 1 21 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.760 0.230 25564 11186 1 21 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.198 0.121 25564 11187 1 21 . 1 1 40 40 TYR H H 40 8.470 8.470 8.741 -0.271 25564 11188 1 21 . 1 1 41 41 ARG N N 41 125.140 125.140 121.678 3.462 25564 11189 1 21 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.487 -0.205 25564 11190 1 21 . 1 1 41 41 ARG C C 41 173.714 173.714 175.307 -1.593 25564 11191 1 21 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.683 1.086 25564 11192 1 21 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.368 1.333 25564 11193 1 21 . 1 1 41 41 ARG H H 41 9.148 9.148 8.919 0.229 25564 11194 1 21 . 1 1 42 42 ILE N N 42 126.999 126.999 121.498 5.501 25564 11195 1 21 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.013 0.329 25564 11196 1 21 . 1 1 42 42 ILE C C 42 174.706 174.706 175.006 -0.300 25564 11197 1 21 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.813 -2.030 25564 11198 1 21 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.795 -0.401 25564 11199 1 21 . 1 1 42 42 ILE H H 42 9.237 9.237 8.870 0.367 25564 11200 1 21 . 1 1 43 43 VAL N N 43 126.775 126.775 128.761 -1.986 25564 11201 1 21 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.996 0.352 25564 11202 1 21 . 1 1 43 43 VAL C C 43 175.795 175.795 175.563 0.232 25564 11203 1 21 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.847 -0.243 25564 11204 1 21 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.164 2.015 25564 11205 1 21 . 1 1 43 43 VAL H H 43 9.369 9.369 9.027 0.342 25564 11206 1 21 . 1 1 44 44 TYR N N 44 122.788 122.788 126.297 -3.509 25564 11207 1 21 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.811 0.433 25564 11208 1 21 . 1 1 44 44 TYR C C 44 174.353 174.353 174.898 -0.545 25564 11209 1 21 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.241 1.169 25564 11210 1 21 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.871 3.479 25564 11211 1 21 . 1 1 44 44 TYR H H 44 9.253 9.253 8.875 0.378 25564 11212 1 21 . 1 1 45 45 SER N N 45 114.339 114.339 117.703 -3.364 25564 11213 1 21 . 1 1 45 45 SER HA H 45 5.208 5.208 4.885 0.323 25564 11214 1 21 . 1 1 45 45 SER C C 45 171.693 171.693 172.177 -0.484 25564 11215 1 21 . 1 1 45 45 SER CA C 45 55.870 55.870 55.429 0.440 25564 11216 1 21 . 1 1 45 45 SER CB C 45 65.646 65.646 66.049 -0.403 25564 11217 1 21 . 1 1 45 45 SER H H 45 8.797 8.797 9.055 -0.258 25564 11218 1 21 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.863 -0.477 25564 11219 1 21 . 1 1 46 46 PRO C C 46 177.666 177.666 178.035 -0.369 25564 11220 1 21 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.931 0.762 25564 11221 1 21 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.796 0.221 25564 11222 1 21 . 1 1 47 47 SER N N 47 118.732 118.732 121.221 -2.489 25564 11223 1 21 . 1 1 47 47 SER HA H 47 4.069 4.069 4.225 -0.156 25564 11224 1 21 . 1 1 47 47 SER C C 47 175.055 175.055 175.220 -0.165 25564 11225 1 21 . 1 1 47 47 SER CA C 47 60.992 60.992 60.936 0.056 25564 11226 1 21 . 1 1 47 47 SER CB C 47 63.541 63.541 63.214 0.327 25564 11227 1 21 . 1 1 47 47 SER H H 47 8.648 8.648 8.544 0.104 25564 11228 1 21 . 1 1 48 48 VAL N N 48 117.213 117.213 114.899 2.314 25564 11229 1 21 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.424 -0.342 25564 11230 1 21 . 1 1 48 48 VAL C C 48 175.456 175.456 174.948 0.508 25564 11231 1 21 . 1 1 48 48 VAL CA C 48 62.987 62.987 60.805 2.182 25564 11232 1 21 . 1 1 48 48 VAL CB C 48 32.869 32.869 31.297 1.572 25564 11233 1 21 . 1 1 48 48 VAL H H 48 7.640 7.640 7.492 0.148 25564 11234 1 21 . 1 1 49 49 GLU N N 49 119.528 119.528 119.197 0.331 25564 11235 1 21 . 1 1 49 49 GLU HA H 49 4.148 4.148 3.957 0.191 25564 11236 1 21 . 1 1 49 49 GLU C C 49 176.081 176.081 175.222 0.859 25564 11237 1 21 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.784 0.390 25564 11238 1 21 . 1 1 49 49 GLU CB C 49 30.168 30.168 29.422 0.746 25564 11239 1 21 . 1 1 49 49 GLU H H 49 8.150 8.150 7.698 0.452 25564 11240 1 21 . 1 1 50 50 GLY N N 50 108.013 108.013 111.307 -3.294 25564 11241 1 21 . 1 1 50 50 GLY C C 50 173.617 173.617 173.289 0.328 25564 11242 1 21 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.841 0.569 25564 11243 1 21 . 1 1 50 50 GLY H H 50 8.144 8.144 8.460 -0.316 25564 11244 1 21 . 1 1 51 51 SER N N 51 115.893 115.893 121.134 -5.241 25564 11245 1 21 . 1 1 51 51 SER HA H 51 4.604 4.604 4.670 -0.066 25564 11246 1 21 . 1 1 51 51 SER CA C 51 58.145 58.145 58.495 -0.350 25564 11247 1 21 . 1 1 51 51 SER CB C 51 64.429 64.429 63.954 0.475 25564 11248 1 21 . 1 1 51 51 SER H H 51 8.248 8.248 8.375 -0.127 25564 11249 1 21 . 1 1 52 52 SER HA H 52 4.795 4.795 5.529 -0.734 25564 11250 1 21 . 1 1 52 52 SER C C 52 173.840 173.840 173.724 0.116 25564 11251 1 21 . 1 1 52 52 SER CA C 52 58.319 58.319 57.604 0.715 25564 11252 1 21 . 1 1 52 52 SER CB C 52 65.231 65.231 66.085 -0.855 25564 11253 1 21 . 1 1 53 53 THR N N 53 121.052 121.052 119.855 1.197 25564 11254 1 21 . 1 1 53 53 THR HA H 53 4.294 4.294 4.444 -0.150 25564 11255 1 21 . 1 1 53 53 THR C C 53 171.241 171.241 171.759 -0.518 25564 11256 1 21 . 1 1 53 53 THR CA C 53 62.799 62.799 61.264 1.535 25564 11257 1 21 . 1 1 53 53 THR CB C 53 70.995 70.995 71.999 -1.004 25564 11258 1 21 . 1 1 53 53 THR H H 53 8.344 8.344 8.476 -0.132 25564 11259 1 21 . 1 1 54 54 GLU N N 54 125.190 125.190 125.404 -0.214 25564 11260 1 21 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.590 0.024 25564 11261 1 21 . 1 1 54 54 GLU C C 54 175.175 175.175 175.338 -0.163 25564 11262 1 21 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.326 0.186 25564 11263 1 21 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.344 2.327 25564 11264 1 21 . 1 1 54 54 GLU H H 54 8.458 8.458 8.533 -0.075 25564 11265 1 21 . 1 1 55 55 LEU N N 55 125.745 125.745 126.737 -0.992 25564 11266 1 21 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.756 0.099 25564 11267 1 21 . 1 1 55 55 LEU C C 55 175.121 175.121 174.998 0.123 25564 11268 1 21 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.948 0.058 25564 11269 1 21 . 1 1 55 55 LEU CB C 55 45.736 45.736 45.159 0.577 25564 11270 1 21 . 1 1 55 55 LEU H H 55 9.755 9.755 8.623 1.132 25564 11271 1 21 . 1 1 56 56 ASN N N 56 120.517 120.517 119.080 1.437 25564 11272 1 21 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.855 -0.291 25564 11273 1 21 . 1 1 56 56 ASN C C 56 174.180 174.180 174.654 -0.474 25564 11274 1 21 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.572 0.703 25564 11275 1 21 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.104 1.347 25564 11276 1 21 . 1 1 56 56 ASN H H 56 8.727 8.727 8.561 0.166 25564 11277 1 21 . 1 1 57 57 LEU N N 57 123.534 123.534 124.035 -0.501 25564 11278 1 21 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.105 0.030 25564 11279 1 21 . 1 1 57 57 LEU C C 57 174.960 174.960 174.804 0.156 25564 11280 1 21 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.815 0.310 25564 11281 1 21 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.379 0.429 25564 11282 1 21 . 1 1 57 57 LEU H H 57 9.075 9.075 8.683 0.392 25564 11283 1 21 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.575 0.480 25564 11284 1 21 . 1 1 58 58 PRO C C 58 176.897 176.897 178.412 -1.515 25564 11285 1 21 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.587 0.003 25564 11286 1 21 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.176 1.690 25564 11287 1 21 . 1 1 59 59 GLU N N 59 117.522 117.522 120.554 -3.032 25564 11288 1 21 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.119 -0.138 25564 11289 1 21 . 1 1 59 59 GLU C C 59 175.246 175.246 176.873 -1.627 25564 11290 1 21 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.868 -0.963 25564 11291 1 21 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.894 0.030 25564 11292 1 21 . 1 1 59 59 GLU H H 59 8.905 8.905 8.783 0.122 25564 11293 1 21 . 1 1 60 60 THR N N 60 106.153 106.153 111.967 -5.814 25564 11294 1 21 . 1 1 60 60 THR HA H 60 4.155 4.155 4.371 -0.216 25564 11295 1 21 . 1 1 60 60 THR C C 60 175.087 175.087 173.501 1.586 25564 11296 1 21 . 1 1 60 60 THR CA C 60 61.646 61.646 60.792 0.854 25564 11297 1 21 . 1 1 60 60 THR CB C 60 69.638 69.638 68.184 1.454 25564 11298 1 21 . 1 1 60 60 THR H H 60 7.056 7.056 7.847 -0.791 25564 11299 1 21 . 1 1 61 61 ALA N N 61 125.590 125.590 123.751 1.839 25564 11300 1 21 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.210 0.140 25564 11301 1 21 . 1 1 61 61 ALA C C 61 176.988 176.988 175.784 1.204 25564 11302 1 21 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.288 1.182 25564 11303 1 21 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.905 1.319 25564 11304 1 21 . 1 1 61 61 ALA H H 61 7.808 7.808 8.350 -0.542 25564 11305 1 21 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.478 0.185 25564 11306 1 21 . 1 1 62 62 ASN C C 62 171.666 171.666 172.452 -0.786 25564 11307 1 21 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.067 0.111 25564 11308 1 21 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.795 -0.119 25564 11309 1 21 . 1 1 63 63 SER N N 63 109.802 109.802 113.620 -3.818 25564 11310 1 21 . 1 1 63 63 SER HA H 63 4.341 4.341 4.554 -0.213 25564 11311 1 21 . 1 1 63 63 SER C C 63 172.378 172.378 172.699 -0.321 25564 11312 1 21 . 1 1 63 63 SER CA C 63 56.541 56.541 57.145 -0.604 25564 11313 1 21 . 1 1 63 63 SER CB C 63 65.498 65.498 65.457 0.041 25564 11314 1 21 . 1 1 63 63 SER H H 63 6.764 6.764 6.683 0.081 25564 11315 1 21 . 1 1 64 64 VAL N N 64 117.873 117.873 122.316 -4.443 25564 11316 1 21 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.491 -0.051 25564 11317 1 21 . 1 1 64 64 VAL C C 64 171.395 171.395 174.278 -2.883 25564 11318 1 21 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.411 1.333 25564 11319 1 21 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.529 -0.438 25564 11320 1 21 . 1 1 64 64 VAL H H 64 8.793 8.793 8.836 -0.043 25564 11321 1 21 . 1 1 65 65 THR N N 65 123.328 123.328 124.909 -1.581 25564 11322 1 21 . 1 1 65 65 THR HA H 65 4.703 4.703 4.546 0.157 25564 11323 1 21 . 1 1 65 65 THR C C 65 173.608 173.608 173.850 -0.242 25564 11324 1 21 . 1 1 65 65 THR CA C 65 62.094 62.094 62.026 0.068 25564 11325 1 21 . 1 1 65 65 THR CB C 65 69.754 69.754 68.815 0.939 25564 11326 1 21 . 1 1 65 65 THR H H 65 8.377 8.377 8.449 -0.072 25564 11327 1 21 . 1 1 66 66 LEU N N 66 130.029 130.029 127.339 2.690 25564 11328 1 21 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.313 0.038 25564 11329 1 21 . 1 1 66 66 LEU C C 66 174.738 174.738 176.030 -1.292 25564 11330 1 21 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.406 -0.848 25564 11331 1 21 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.273 -1.067 25564 11332 1 21 . 1 1 66 66 LEU H H 66 9.232 9.232 8.626 0.606 25564 11333 1 21 . 1 1 67 67 SER N N 67 117.107 117.107 115.702 1.405 25564 11334 1 21 . 1 1 67 67 SER HA H 67 4.936 4.936 4.945 -0.009 25564 11335 1 21 . 1 1 67 67 SER C C 67 172.509 172.509 174.102 -1.593 25564 11336 1 21 . 1 1 67 67 SER CA C 67 57.340 57.340 56.683 0.657 25564 11337 1 21 . 1 1 67 67 SER CB C 67 66.115 66.115 65.219 0.896 25564 11338 1 21 . 1 1 67 67 SER H H 67 8.174 8.174 8.372 -0.198 25564 11339 1 21 . 1 1 68 68 ASP N N 68 116.924 116.924 119.717 -2.793 25564 11340 1 21 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.298 0.056 25564 11341 1 21 . 1 1 68 68 ASP C C 68 175.654 175.654 175.412 0.242 25564 11342 1 21 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.600 0.002 25564 11343 1 21 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.726 -0.012 25564 11344 1 21 . 1 1 68 68 ASP H H 68 9.003 9.003 8.277 0.726 25564 11345 1 21 . 1 1 69 69 LEU N N 69 116.713 116.713 116.235 0.478 25564 11346 1 21 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.115 0.221 25564 11347 1 21 . 1 1 69 69 LEU C C 69 175.793 175.793 176.928 -1.135 25564 11348 1 21 . 1 1 69 69 LEU CA C 69 53.547 53.547 55.200 -1.653 25564 11349 1 21 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.240 -1.206 25564 11350 1 21 . 1 1 69 69 LEU H H 69 8.605 8.605 6.922 1.683 25564 11351 1 21 . 1 1 70 70 GLN N N 70 118.301 118.301 118.796 -0.495 25564 11352 1 21 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.753 0.013 25564 11353 1 21 . 1 1 70 70 GLN C C 70 174.178 174.178 173.807 0.371 25564 11354 1 21 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.298 0.650 25564 11355 1 21 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.864 -1.238 25564 11356 1 21 . 1 1 70 70 GLN H H 70 8.288 8.288 8.507 -0.219 25564 11357 1 21 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.262 0.990 25564 11358 1 21 . 1 1 71 71 PRO C C 71 177.837 177.837 177.217 0.620 25564 11359 1 21 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.790 -0.692 25564 11360 1 21 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.500 1.893 25564 11361 1 21 . 1 1 72 72 GLY N N 72 111.077 111.077 111.849 -0.772 25564 11362 1 21 . 1 1 72 72 GLY C C 72 174.621 174.621 173.936 0.685 25564 11363 1 21 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.236 1.990 25564 11364 1 21 . 1 1 72 72 GLY H H 72 7.348 7.348 8.332 -0.984 25564 11365 1 21 . 1 1 73 73 VAL N N 73 120.434 120.434 119.117 1.317 25564 11366 1 21 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.327 -0.215 25564 11367 1 21 . 1 1 73 73 VAL C C 73 173.963 173.963 174.240 -0.277 25564 11368 1 21 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.780 0.914 25564 11369 1 21 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.873 -0.450 25564 11370 1 21 . 1 1 73 73 VAL H H 73 7.670 7.670 8.230 -0.560 25564 11371 1 21 . 1 1 74 74 GLN N N 74 123.606 123.606 125.720 -2.114 25564 11372 1 21 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.547 -0.340 25564 11373 1 21 . 1 1 74 74 GLN C C 74 174.283 174.283 174.652 -0.369 25564 11374 1 21 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.061 1.444 25564 11375 1 21 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.810 1.665 25564 11376 1 21 . 1 1 74 74 GLN H H 74 8.263 8.263 8.689 -0.426 25564 11377 1 21 . 1 1 75 75 TYR N N 75 127.153 127.153 128.235 -1.082 25564 11378 1 21 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.586 0.154 25564 11379 1 21 . 1 1 75 75 TYR C C 75 174.412 174.412 174.503 -0.091 25564 11380 1 21 . 1 1 75 75 TYR CA C 75 59.183 59.183 58.270 0.913 25564 11381 1 21 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.146 0.735 25564 11382 1 21 . 1 1 75 75 TYR H H 75 8.916 8.916 9.040 -0.124 25564 11383 1 21 . 1 1 76 76 ASN N N 76 120.363 120.363 124.096 -3.733 25564 11384 1 21 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.030 0.163 25564 11385 1 21 . 1 1 76 76 ASN C C 76 174.903 174.903 174.478 0.425 25564 11386 1 21 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.499 -0.660 25564 11387 1 21 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.910 1.429 25564 11388 1 21 . 1 1 76 76 ASN H H 76 9.014 9.014 8.808 0.206 25564 11389 1 21 . 1 1 77 77 ILE N N 77 127.376 127.376 127.452 -0.076 25564 11390 1 21 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.401 0.247 25564 11391 1 21 . 1 1 77 77 ILE C C 77 173.510 173.510 175.217 -1.707 25564 11392 1 21 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.263 0.093 25564 11393 1 21 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.004 2.907 25564 11394 1 21 . 1 1 77 77 ILE H H 77 9.466 9.466 8.945 0.521 25564 11395 1 21 . 1 1 78 78 THR N N 78 124.282 124.282 126.780 -2.498 25564 11396 1 21 . 1 1 78 78 THR HA H 78 5.117 5.117 5.412 -0.295 25564 11397 1 21 . 1 1 78 78 THR C C 78 173.140 173.140 173.613 -0.473 25564 11398 1 21 . 1 1 78 78 THR CA C 78 61.961 61.961 60.931 1.030 25564 11399 1 21 . 1 1 78 78 THR CB C 78 70.244 70.244 69.731 0.513 25564 11400 1 21 . 1 1 78 78 THR H H 78 9.535 9.535 8.786 0.749 25564 11401 1 21 . 1 1 79 79 ILE N N 79 125.033 125.033 125.570 -0.537 25564 11402 1 21 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.119 0.472 25564 11403 1 21 . 1 1 79 79 ILE C C 79 173.827 173.827 174.693 -0.866 25564 11404 1 21 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.152 2.596 25564 11405 1 21 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.432 2.838 25564 11406 1 21 . 1 1 79 79 ILE H H 79 8.974 8.974 8.306 0.668 25564 11407 1 21 . 1 1 80 80 TYR N N 80 122.647 122.647 123.751 -1.104 25564 11408 1 21 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.586 -0.067 25564 11409 1 21 . 1 1 80 80 TYR C C 80 177.072 177.072 174.045 3.027 25564 11410 1 21 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.990 0.411 25564 11411 1 21 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.199 0.701 25564 11412 1 21 . 1 1 80 80 TYR H H 80 9.137 9.137 8.755 0.382 25564 11413 1 21 . 1 1 81 81 ALA N N 81 124.412 124.412 127.140 -2.728 25564 11414 1 21 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.364 1.389 25564 11415 1 21 . 1 1 81 81 ALA C C 81 175.811 175.811 174.999 0.812 25564 11416 1 21 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.794 0.863 25564 11417 1 21 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.261 2.055 25564 11418 1 21 . 1 1 81 81 ALA H H 81 8.764 8.764 8.785 -0.021 25564 11419 1 21 . 1 1 82 82 VAL N N 82 120.278 120.278 123.514 -3.236 25564 11420 1 21 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.420 0.193 25564 11421 1 21 . 1 1 82 82 VAL C C 82 174.662 174.662 174.037 0.625 25564 11422 1 21 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.871 1.308 25564 11423 1 21 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.763 -0.092 25564 11424 1 21 . 1 1 82 82 VAL H H 82 8.276 8.276 8.501 -0.225 25564 11425 1 21 . 1 1 83 83 GLU N N 83 127.125 127.125 126.926 0.199 25564 11426 1 21 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.752 -0.215 25564 11427 1 21 . 1 1 83 83 GLU C C 83 175.133 175.133 177.263 -2.130 25564 11428 1 21 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.476 1.524 25564 11429 1 21 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.037 0.679 25564 11430 1 21 . 1 1 83 83 GLU H H 83 8.849 8.849 8.650 0.199 25564 11431 1 21 . 1 1 84 84 GLU N N 84 125.009 125.009 121.850 3.159 25564 11432 1 21 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.946 -0.264 25564 11433 1 21 . 1 1 84 84 GLU C C 84 174.988 174.988 177.039 -2.051 25564 11434 1 21 . 1 1 84 84 GLU CA C 84 59.362 59.362 60.081 -0.719 25564 11435 1 21 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.661 -1.939 25564 11436 1 21 . 1 1 84 84 GLU H H 84 8.952 8.952 8.976 -0.024 25564 11437 1 21 . 1 1 85 85 ASN N N 85 119.010 119.010 114.150 4.860 25564 11438 1 21 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.872 -0.166 25564 11439 1 21 . 1 1 85 85 ASN C C 85 174.499 174.499 173.848 0.651 25564 11440 1 21 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.251 0.702 25564 11441 1 21 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.024 0.006 25564 11442 1 21 . 1 1 85 85 ASN H H 85 8.412 8.412 8.375 0.037 25564 11443 1 21 . 1 1 86 86 GLN N N 86 119.080 119.080 118.053 1.027 25564 11444 1 21 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.722 -0.118 25564 11445 1 21 . 1 1 86 86 GLN C C 86 174.270 174.270 173.625 0.645 25564 11446 1 21 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.527 0.765 25564 11447 1 21 . 1 1 86 86 GLN CB C 86 32.011 32.011 31.702 0.309 25564 11448 1 21 . 1 1 86 86 GLN H H 86 8.086 8.086 7.351 0.735 25564 11449 1 21 . 1 1 87 87 GLU N N 87 120.589 120.589 118.570 2.019 25564 11450 1 21 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.597 0.617 25564 11451 1 21 . 1 1 87 87 GLU C C 87 176.092 176.092 175.524 0.568 25564 11452 1 21 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.333 -0.611 25564 11453 1 21 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.055 0.660 25564 11454 1 21 . 1 1 87 87 GLU H H 87 8.498 8.498 8.580 -0.082 25564 11455 1 21 . 1 1 88 88 SER N N 88 116.013 116.013 119.652 -3.639 25564 11456 1 21 . 1 1 88 88 SER HA H 88 4.547 4.547 4.499 0.048 25564 11457 1 21 . 1 1 88 88 SER C C 88 175.202 175.202 175.191 0.011 25564 11458 1 21 . 1 1 88 88 SER CA C 88 58.211 58.211 58.851 -0.640 25564 11459 1 21 . 1 1 88 88 SER CB C 88 66.959 66.959 64.388 2.571 25564 11460 1 21 . 1 1 88 88 SER H H 88 8.954 8.954 8.862 0.092 25564 11461 1 21 . 1 1 89 89 THR N N 89 114.798 114.798 114.690 0.108 25564 11462 1 21 . 1 1 89 89 THR HA H 89 4.520 4.520 4.396 0.124 25564 11463 1 21 . 1 1 89 89 THR C C 89 173.754 173.754 173.194 0.560 25564 11464 1 21 . 1 1 89 89 THR CA C 89 61.673 61.673 61.168 0.505 25564 11465 1 21 . 1 1 89 89 THR CB C 89 69.286 69.286 68.038 1.248 25564 11466 1 21 . 1 1 89 89 THR H H 89 8.559 8.559 8.334 0.225 25564 11467 1 21 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.601 -0.446 25564 11468 1 21 . 1 1 90 90 PRO C C 90 177.970 177.970 176.313 1.657 25564 11469 1 21 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.534 1.191 25564 11470 1 21 . 1 1 90 90 PRO CB C 90 32.403 32.403 33.196 -0.793 25564 11471 1 21 . 1 1 91 91 VAL N N 91 120.679 120.679 123.514 -2.835 25564 11472 1 21 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.024 0.253 25564 11473 1 21 . 1 1 91 91 VAL C C 91 173.958 173.958 174.816 -0.858 25564 11474 1 21 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.806 -0.208 25564 11475 1 21 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.381 1.566 25564 11476 1 21 . 1 1 91 91 VAL H H 91 8.189 8.189 8.465 -0.276 25564 11477 1 21 . 1 1 92 92 VAL N N 92 125.593 125.593 127.658 -2.065 25564 11478 1 21 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.623 0.384 25564 11479 1 21 . 1 1 92 92 VAL C C 92 176.045 176.045 175.318 0.727 25564 11480 1 21 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.129 0.232 25564 11481 1 21 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.274 1.860 25564 11482 1 21 . 1 1 92 92 VAL H H 92 8.300 8.300 8.429 -0.129 25564 11483 1 21 . 1 1 93 93 ILE N N 93 127.733 127.733 124.222 3.511 25564 11484 1 21 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.691 -0.275 25564 11485 1 21 . 1 1 93 93 ILE C C 93 174.071 174.071 174.508 -0.437 25564 11486 1 21 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.648 0.190 25564 11487 1 21 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.517 2.715 25564 11488 1 21 . 1 1 93 93 ILE H H 93 9.471 9.471 9.011 0.460 25564 11489 1 21 . 1 1 94 94 GLN N N 94 123.610 123.610 127.041 -3.431 25564 11490 1 21 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.901 0.640 25564 11491 1 21 . 1 1 94 94 GLN C C 94 175.328 175.328 175.386 -0.058 25564 11492 1 21 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.787 -0.205 25564 11493 1 21 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.660 2.369 25564 11494 1 21 . 1 1 94 94 GLN H H 94 8.522 8.522 8.691 -0.169 25564 11495 1 21 . 1 1 95 95 GLN N N 95 123.044 123.044 124.446 -1.402 25564 11496 1 21 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.632 -0.122 25564 11497 1 21 . 1 1 95 95 GLN C C 95 173.530 173.530 174.231 -0.701 25564 11498 1 21 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.377 0.545 25564 11499 1 21 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.366 0.157 25564 11500 1 21 . 1 1 95 95 GLN H H 95 8.893 8.893 8.965 -0.072 25564 11501 1 21 . 1 1 96 96 GLU N N 96 128.881 128.881 126.851 2.030 25564 11502 1 21 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.841 0.902 25564 11503 1 21 . 1 1 96 96 GLU C C 96 178.926 178.926 176.770 2.156 25564 11504 1 21 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.147 -0.328 25564 11505 1 21 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.897 0.628 25564 11506 1 21 . 1 1 96 96 GLU H H 96 8.913 8.913 8.788 0.125 25564 11507 1 21 . 1 1 97 97 THR N N 97 116.022 116.022 120.249 -4.227 25564 11508 1 21 . 1 1 97 97 THR HA H 97 4.344 4.344 4.238 0.106 25564 11509 1 21 . 1 1 97 97 THR C C 97 176.660 176.660 175.615 1.045 25564 11510 1 21 . 1 1 97 97 THR CA C 97 61.453 61.453 62.904 -1.451 25564 11511 1 21 . 1 1 97 97 THR CB C 97 69.742 69.742 69.584 0.158 25564 11512 1 21 . 1 1 97 97 THR H H 97 8.740 8.740 8.920 -0.180 25564 11513 1 21 . 1 1 98 98 THR N N 98 110.068 110.068 117.664 -7.596 25564 11514 1 21 . 1 1 98 98 THR HA H 98 4.270 4.270 4.077 0.193 25564 11515 1 21 . 1 1 98 98 THR C C 98 173.859 173.859 175.593 -1.734 25564 11516 1 21 . 1 1 98 98 THR CA C 98 62.659 62.659 64.641 -1.982 25564 11517 1 21 . 1 1 98 98 THR CB C 98 69.654 69.654 68.954 0.700 25564 11518 1 21 . 1 1 98 98 THR H H 98 7.287 7.287 8.123 -0.836 25564 11519 1 21 . 1 1 99 99 GLY N N 99 103.540 103.540 111.646 -8.106 25564 11520 1 21 . 1 1 99 99 GLY C C 99 174.225 174.225 174.202 0.023 25564 11521 1 21 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.329 -0.374 25564 11522 1 21 . 1 1 99 99 GLY H H 99 8.033 8.033 7.820 0.213 25564 11523 1 21 . 1 1 100 100 THR N N 100 114.887 114.887 118.920 -4.033 25564 11524 1 21 . 1 1 100 100 THR HA H 100 4.623 4.623 4.325 0.298 25564 11525 1 21 . 1 1 100 100 THR C C 100 172.336 172.336 173.828 -1.492 25564 11526 1 21 . 1 1 100 100 THR CA C 100 59.775 59.775 62.021 -2.246 25564 11527 1 21 . 1 1 100 100 THR CB C 100 70.644 70.644 68.900 1.744 25564 11528 1 21 . 1 1 100 100 THR H H 100 8.055 8.055 8.748 -0.693 25564 11529 1 21 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.515 -0.016 25564 11530 1 21 . 1 1 101 101 PRO C C 101 177.344 177.344 176.247 1.097 25564 11531 1 21 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.325 -0.217 25564 11532 1 21 . 1 1 101 101 PRO CB C 101 32.286 32.286 30.927 1.359 25564 11533 1 21 . 1 1 102 102 ARG N N 102 122.476 122.476 124.212 -1.736 25564 11534 1 21 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.293 0.021 25564 11535 1 21 . 1 1 102 102 ARG C C 102 176.790 176.790 177.054 -0.264 25564 11536 1 21 . 1 1 102 102 ARG CA C 102 56.404 56.404 57.747 -1.343 25564 11537 1 21 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.229 0.036 25564 11538 1 21 . 1 1 102 102 ARG H H 102 8.771 8.771 8.608 0.163 25564 11539 1 21 . 1 1 103 103 SER HA H 103 4.523 4.523 4.361 0.162 25564 11540 1 21 . 1 1 103 103 SER CA C 103 58.311 58.311 59.211 -0.900 25564 11541 1 21 . 1 1 103 103 SER CB C 103 64.168 64.168 63.323 0.845 25564 11542 1 21 . 1 1 104 104 ASP N N 104 122.461 122.461 119.999 2.462 25564 11543 1 21 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.687 -0.039 25564 11544 1 21 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.276 0.290 25564 11545 1 21 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.441 -1.058 25564 11546 1 21 . 1 1 104 104 ASP H H 104 8.418 8.418 8.399 0.019 25564 11547 1 21 . 1 1 105 105 GLY N N 105 109.250 109.250 111.893 -2.643 25564 11548 1 21 . 1 1 105 105 GLY C C 105 173.987 173.987 174.652 -0.665 25564 11549 1 21 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.673 0.100 25564 11550 1 21 . 1 1 105 105 GLY H H 105 8.390 8.390 8.332 0.058 25564 11551 1 22 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.986 -0.363 25564 11552 1 22 . 1 1 3 3 HIS CA C 3 56.936 56.936 55.209 1.727 25564 11553 1 22 . 1 1 3 3 HIS CB C 3 31.271 31.271 31.781 -0.510 25564 11554 1 22 . 1 1 7 7 THR HA H 7 4.470 4.470 4.373 0.097 25564 11555 1 22 . 1 1 7 7 THR CA C 7 61.923 61.923 63.053 -1.130 25564 11556 1 22 . 1 1 7 7 THR CB C 7 70.142 70.142 68.804 1.338 25564 11557 1 22 . 1 1 8 8 THR N N 8 116.706 116.706 114.022 2.684 25564 11558 1 22 . 1 1 8 8 THR HA H 8 4.371 4.371 4.209 0.162 25564 11559 1 22 . 1 1 8 8 THR C C 8 173.590 173.590 174.230 -0.640 25564 11560 1 22 . 1 1 8 8 THR CA C 8 61.606 61.606 62.449 -0.843 25564 11561 1 22 . 1 1 8 8 THR CB C 8 70.303 70.303 68.624 1.679 25564 11562 1 22 . 1 1 8 8 THR H H 8 8.238 8.238 8.053 0.185 25564 11563 1 22 . 1 1 9 9 ALA N N 9 127.030 127.030 125.196 1.834 25564 11564 1 22 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.712 -0.419 25564 11565 1 22 . 1 1 9 9 ALA C C 9 175.005 175.005 175.207 -0.202 25564 11566 1 22 . 1 1 9 9 ALA CA C 9 50.813 50.813 48.835 1.978 25564 11567 1 22 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.124 -0.694 25564 11568 1 22 . 1 1 9 9 ALA H H 9 8.220 8.220 7.337 0.883 25564 11569 1 22 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.569 -0.240 25564 11570 1 22 . 1 1 10 10 PRO C C 10 175.138 175.138 175.601 -0.463 25564 11571 1 22 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.383 0.414 25564 11572 1 22 . 1 1 10 10 PRO CB C 10 31.837 31.837 33.124 -1.287 25564 11573 1 22 . 1 1 11 11 ASP N N 11 116.244 116.244 119.728 -3.484 25564 11574 1 22 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.819 -0.409 25564 11575 1 22 . 1 1 11 11 ASP C C 11 174.009 174.009 175.730 -1.721 25564 11576 1 22 . 1 1 11 11 ASP CA C 11 53.383 53.383 52.692 0.691 25564 11577 1 22 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.634 -3.805 25564 11578 1 22 . 1 1 11 11 ASP H H 11 9.038 9.038 8.359 0.679 25564 11579 1 22 . 1 1 12 12 ALA N N 12 120.012 120.012 122.511 -2.499 25564 11580 1 22 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.650 -0.183 25564 11581 1 22 . 1 1 12 12 ALA C C 12 175.669 175.669 175.146 0.523 25564 11582 1 22 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.958 0.282 25564 11583 1 22 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.632 -0.722 25564 11584 1 22 . 1 1 12 12 ALA H H 12 7.944 7.944 7.955 -0.011 25564 11585 1 22 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.960 -0.471 25564 11586 1 22 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.821 -0.496 25564 11587 1 22 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.259 0.571 25564 11588 1 22 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.263 0.223 25564 11589 1 22 . 1 1 14 14 PRO C C 14 175.966 175.966 176.468 -0.502 25564 11590 1 22 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.880 0.115 25564 11591 1 22 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.674 -0.045 25564 11592 1 22 . 1 1 15 15 ASP N N 15 117.405 117.405 120.292 -2.887 25564 11593 1 22 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.392 0.166 25564 11594 1 22 . 1 1 15 15 ASP C C 15 173.011 173.011 175.049 -2.038 25564 11595 1 22 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.807 0.423 25564 11596 1 22 . 1 1 15 15 ASP CB C 15 41.322 41.322 41.195 0.127 25564 11597 1 22 . 1 1 15 15 ASP H H 15 8.470 8.470 8.532 -0.062 25564 11598 1 22 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.755 0.597 25564 11599 1 22 . 1 1 16 16 PRO C C 16 177.534 177.534 176.483 1.051 25564 11600 1 22 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.021 0.583 25564 11601 1 22 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.862 -1.378 25564 11602 1 22 . 1 1 17 17 THR N N 17 117.955 117.955 119.592 -1.637 25564 11603 1 22 . 1 1 17 17 THR HA H 17 4.563 4.563 4.540 0.023 25564 11604 1 22 . 1 1 17 17 THR C C 17 172.578 172.578 173.960 -1.382 25564 11605 1 22 . 1 1 17 17 THR CA C 17 61.093 61.093 61.371 -0.278 25564 11606 1 22 . 1 1 17 17 THR CB C 17 72.478 72.478 70.224 2.254 25564 11607 1 22 . 1 1 17 17 THR H H 17 9.415 9.415 8.606 0.809 25564 11608 1 22 . 1 1 18 18 VAL N N 18 124.494 124.494 127.255 -2.761 25564 11609 1 22 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.295 0.077 25564 11610 1 22 . 1 1 18 18 VAL C C 18 175.392 175.392 175.805 -0.413 25564 11611 1 22 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.525 0.325 25564 11612 1 22 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.488 0.586 25564 11613 1 22 . 1 1 18 18 VAL H H 18 8.645 8.645 8.767 -0.122 25564 11614 1 22 . 1 1 19 19 ASP N N 19 129.904 129.904 128.650 1.254 25564 11615 1 22 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.552 0.171 25564 11616 1 22 . 1 1 19 19 ASP C C 19 175.427 175.427 175.973 -0.546 25564 11617 1 22 . 1 1 19 19 ASP CA C 19 54.903 54.903 56.106 -1.203 25564 11618 1 22 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.548 1.723 25564 11619 1 22 . 1 1 19 19 ASP H H 19 8.805 8.805 8.748 0.057 25564 11620 1 22 . 1 1 20 20 GLN N N 20 115.835 115.835 117.753 -1.918 25564 11621 1 22 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.596 -0.146 25564 11622 1 22 . 1 1 20 20 GLN C C 20 173.593 173.593 173.873 -0.280 25564 11623 1 22 . 1 1 20 20 GLN CA C 20 55.945 55.945 55.102 0.843 25564 11624 1 22 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.136 -1.147 25564 11625 1 22 . 1 1 20 20 GLN H H 20 7.431 7.431 7.594 -0.163 25564 11626 1 22 . 1 1 21 21 VAL N N 21 122.956 122.956 122.247 0.709 25564 11627 1 22 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.221 0.498 25564 11628 1 22 . 1 1 21 21 VAL C C 21 173.753 173.753 174.774 -1.021 25564 11629 1 22 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.856 -0.537 25564 11630 1 22 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.370 1.633 25564 11631 1 22 . 1 1 21 21 VAL H H 21 8.317 8.317 8.416 -0.099 25564 11632 1 22 . 1 1 22 22 ASP N N 22 129.722 129.722 127.096 2.626 25564 11633 1 22 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.010 -0.256 25564 11634 1 22 . 1 1 22 22 ASP C C 22 176.114 176.114 175.831 0.283 25564 11635 1 22 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.259 1.380 25564 11636 1 22 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.572 -3.195 25564 11637 1 22 . 1 1 22 22 ASP H H 22 8.778 8.778 8.506 0.272 25564 11638 1 22 . 1 1 23 23 ASP N N 23 115.970 115.970 118.114 -2.144 25564 11639 1 22 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.387 0.247 25564 11640 1 22 . 1 1 23 23 ASP C C 23 175.820 175.820 176.429 -0.609 25564 11641 1 22 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.085 -0.758 25564 11642 1 22 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.837 0.069 25564 11643 1 22 . 1 1 23 23 ASP H H 23 8.049 8.049 8.632 -0.583 25564 11644 1 22 . 1 1 24 24 THR N N 24 97.756 97.756 106.329 -8.573 25564 11645 1 22 . 1 1 24 24 THR HA H 24 4.566 4.566 4.534 0.032 25564 11646 1 22 . 1 1 24 24 THR C C 24 174.274 174.274 173.186 1.088 25564 11647 1 22 . 1 1 24 24 THR CA C 24 59.595 59.595 60.827 -1.232 25564 11648 1 22 . 1 1 24 24 THR CB C 24 71.670 71.670 68.978 2.692 25564 11649 1 22 . 1 1 24 24 THR H H 24 7.392 7.392 7.815 -0.423 25564 11650 1 22 . 1 1 25 25 SER N N 25 116.249 116.249 116.208 0.041 25564 11651 1 22 . 1 1 25 25 SER HA H 25 5.440 5.440 5.483 -0.043 25564 11652 1 22 . 1 1 25 25 SER C C 25 171.891 171.891 172.351 -0.460 25564 11653 1 22 . 1 1 25 25 SER CA C 25 57.670 57.670 58.373 -0.703 25564 11654 1 22 . 1 1 25 25 SER CB C 25 67.439 67.439 66.317 1.122 25564 11655 1 22 . 1 1 25 25 SER H H 25 7.693 7.693 7.414 0.279 25564 11656 1 22 . 1 1 26 26 ILE N N 26 118.594 118.594 123.399 -4.805 25564 11657 1 22 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.747 -0.333 25564 11658 1 22 . 1 1 26 26 ILE C C 26 174.020 174.020 173.615 0.405 25564 11659 1 22 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.538 0.596 25564 11660 1 22 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.051 2.037 25564 11661 1 22 . 1 1 26 26 ILE H H 26 8.141 8.141 8.679 -0.538 25564 11662 1 22 . 1 1 27 27 VAL N N 27 126.778 126.778 125.088 1.690 25564 11663 1 22 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.125 -0.151 25564 11664 1 22 . 1 1 27 27 VAL C C 27 175.692 175.692 174.633 1.059 25564 11665 1 22 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.797 0.652 25564 11666 1 22 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.024 -0.211 25564 11667 1 22 . 1 1 27 27 VAL H H 27 8.642 8.642 8.697 -0.055 25564 11668 1 22 . 1 1 28 28 VAL N N 28 127.624 127.624 123.490 4.134 25564 11669 1 22 . 1 1 28 28 VAL HA H 28 4.860 4.860 5.004 -0.144 25564 11670 1 22 . 1 1 28 28 VAL C C 28 173.467 173.467 173.778 -0.311 25564 11671 1 22 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.228 1.226 25564 11672 1 22 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.830 -0.878 25564 11673 1 22 . 1 1 28 28 VAL H H 28 8.656 8.656 8.957 -0.300 25564 11674 1 22 . 1 1 29 29 ARG N N 29 123.905 123.905 125.075 -1.170 25564 11675 1 22 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.916 -0.199 25564 11676 1 22 . 1 1 29 29 ARG C C 29 174.147 174.147 175.204 -1.057 25564 11677 1 22 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.487 0.379 25564 11678 1 22 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.822 1.369 25564 11679 1 22 . 1 1 29 29 ARG H H 29 9.075 9.075 8.462 0.613 25564 11680 1 22 . 1 1 30 30 TRP N N 30 116.284 116.284 123.509 -7.225 25564 11681 1 22 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.112 -0.266 25564 11682 1 22 . 1 1 30 30 TRP C C 30 174.778 174.778 175.424 -0.646 25564 11683 1 22 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.694 2.841 25564 11684 1 22 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.662 -0.364 25564 11685 1 22 . 1 1 30 30 TRP H H 30 7.512 7.512 7.997 -0.485 25564 11686 1 22 . 1 1 31 31 SER HA H 31 4.747 4.747 4.645 0.102 25564 11687 1 22 . 1 1 31 31 SER C C 31 172.773 172.773 174.680 -1.907 25564 11688 1 22 . 1 1 31 31 SER CA C 31 57.875 57.875 56.528 1.347 25564 11689 1 22 . 1 1 31 31 SER CB C 31 64.093 64.093 63.194 0.899 25564 11690 1 22 . 1 1 32 32 ARG N N 32 122.062 122.062 127.827 -5.765 25564 11691 1 22 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.622 0.257 25564 11692 1 22 . 1 1 32 32 ARG C C 32 175.788 175.788 174.823 0.965 25564 11693 1 22 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.345 -0.060 25564 11694 1 22 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.585 2.835 25564 11695 1 22 . 1 1 32 32 ARG H H 32 8.337 8.337 7.748 0.589 25564 11696 1 22 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.634 -0.158 25564 11697 1 22 . 1 1 33 33 PRO C C 33 175.739 175.739 177.101 -1.362 25564 11698 1 22 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.404 0.562 25564 11699 1 22 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.339 0.636 25564 11700 1 22 . 1 1 34 34 GLN N N 34 122.510 122.510 120.276 2.234 25564 11701 1 22 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.221 -0.067 25564 11702 1 22 . 1 1 34 34 GLN C C 34 177.396 177.396 175.843 1.553 25564 11703 1 22 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.734 0.769 25564 11704 1 22 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.660 0.987 25564 11705 1 22 . 1 1 34 34 GLN H H 34 10.310 10.310 8.647 1.663 25564 11706 1 22 . 1 1 35 35 ALA N N 35 123.797 123.797 124.121 -0.324 25564 11707 1 22 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.409 0.069 25564 11708 1 22 . 1 1 35 35 ALA C C 35 174.959 174.959 175.569 -0.610 25564 11709 1 22 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.400 0.467 25564 11710 1 22 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.691 0.479 25564 11711 1 22 . 1 1 35 35 ALA H H 35 8.725 8.725 7.736 0.989 25564 11712 1 22 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.461 0.122 25564 11713 1 22 . 1 1 36 36 PRO C C 36 175.555 175.555 175.857 -0.302 25564 11714 1 22 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.205 -0.203 25564 11715 1 22 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.321 -1.346 25564 11716 1 22 . 1 1 37 37 ILE N N 37 114.656 114.656 118.926 -4.270 25564 11717 1 22 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.608 -0.208 25564 11718 1 22 . 1 1 37 37 ILE C C 37 176.204 176.204 175.648 0.556 25564 11719 1 22 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.150 1.962 25564 11720 1 22 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.517 1.125 25564 11721 1 22 . 1 1 37 37 ILE H H 37 7.946 7.946 7.905 0.041 25564 11722 1 22 . 1 1 38 38 THR N N 38 109.332 109.332 114.085 -4.753 25564 11723 1 22 . 1 1 38 38 THR HA H 38 4.576 4.576 4.987 -0.411 25564 11724 1 22 . 1 1 38 38 THR C C 38 175.325 175.325 175.541 -0.216 25564 11725 1 22 . 1 1 38 38 THR CA C 38 61.858 61.858 61.763 0.095 25564 11726 1 22 . 1 1 38 38 THR CB C 38 69.971 69.971 70.629 -0.658 25564 11727 1 22 . 1 1 38 38 THR H H 38 9.767 9.767 9.038 0.729 25564 11728 1 22 . 1 1 39 39 GLY N N 39 109.326 109.326 109.482 -0.156 25564 11729 1 22 . 1 1 39 39 GLY C C 39 169.390 169.390 171.802 -2.412 25564 11730 1 22 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.889 -0.249 25564 11731 1 22 . 1 1 39 39 GLY H H 39 7.641 7.641 7.920 -0.279 25564 11732 1 22 . 1 1 40 40 TYR N N 40 113.638 113.638 118.366 -4.728 25564 11733 1 22 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.676 -0.324 25564 11734 1 22 . 1 1 40 40 TYR C C 40 174.719 174.719 175.089 -0.370 25564 11735 1 22 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.514 0.475 25564 11736 1 22 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.876 0.443 25564 11737 1 22 . 1 1 40 40 TYR H H 40 8.470 8.470 8.854 -0.384 25564 11738 1 22 . 1 1 41 41 ARG N N 41 125.140 125.140 122.302 2.838 25564 11739 1 22 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.298 -0.016 25564 11740 1 22 . 1 1 41 41 ARG C C 41 173.714 173.714 175.096 -1.382 25564 11741 1 22 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.046 1.723 25564 11742 1 22 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.427 2.274 25564 11743 1 22 . 1 1 41 41 ARG H H 41 9.148 9.148 8.976 0.172 25564 11744 1 22 . 1 1 42 42 ILE N N 42 126.999 126.999 122.220 4.779 25564 11745 1 22 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.075 0.267 25564 11746 1 22 . 1 1 42 42 ILE C C 42 174.706 174.706 174.895 -0.189 25564 11747 1 22 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.847 -2.064 25564 11748 1 22 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.699 -0.305 25564 11749 1 22 . 1 1 42 42 ILE H H 42 9.237 9.237 8.860 0.377 25564 11750 1 22 . 1 1 43 43 VAL N N 43 126.775 126.775 128.484 -1.709 25564 11751 1 22 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.789 0.559 25564 11752 1 22 . 1 1 43 43 VAL C C 43 175.795 175.795 175.591 0.204 25564 11753 1 22 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.669 -0.065 25564 11754 1 22 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.536 2.643 25564 11755 1 22 . 1 1 43 43 VAL H H 43 9.369 9.369 9.076 0.293 25564 11756 1 22 . 1 1 44 44 TYR N N 44 122.788 122.788 125.246 -2.458 25564 11757 1 22 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.951 0.293 25564 11758 1 22 . 1 1 44 44 TYR C C 44 174.353 174.353 174.381 -0.028 25564 11759 1 22 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.344 1.066 25564 11760 1 22 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.206 3.144 25564 11761 1 22 . 1 1 44 44 TYR H H 44 9.253 9.253 8.818 0.435 25564 11762 1 22 . 1 1 45 45 SER N N 45 114.339 114.339 117.333 -2.994 25564 11763 1 22 . 1 1 45 45 SER HA H 45 5.208 5.208 5.058 0.150 25564 11764 1 22 . 1 1 45 45 SER C C 45 171.693 171.693 171.948 -0.255 25564 11765 1 22 . 1 1 45 45 SER CA C 45 55.870 55.870 54.183 1.687 25564 11766 1 22 . 1 1 45 45 SER CB C 45 65.646 65.646 65.536 0.110 25564 11767 1 22 . 1 1 45 45 SER H H 45 8.797 8.797 9.080 -0.283 25564 11768 1 22 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.888 -0.502 25564 11769 1 22 . 1 1 46 46 PRO C C 46 177.666 177.666 176.787 0.879 25564 11770 1 22 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.767 0.925 25564 11771 1 22 . 1 1 46 46 PRO CB C 46 32.017 32.017 32.138 -0.121 25564 11772 1 22 . 1 1 47 47 SER N N 47 118.732 118.732 119.780 -1.048 25564 11773 1 22 . 1 1 47 47 SER HA H 47 4.069 4.069 4.233 -0.164 25564 11774 1 22 . 1 1 47 47 SER C C 47 175.055 175.055 174.764 0.291 25564 11775 1 22 . 1 1 47 47 SER CA C 47 60.992 60.992 60.940 0.052 25564 11776 1 22 . 1 1 47 47 SER CB C 47 63.541 63.541 63.284 0.257 25564 11777 1 22 . 1 1 47 47 SER H H 47 8.648 8.648 8.489 0.159 25564 11778 1 22 . 1 1 48 48 VAL N N 48 117.213 117.213 118.345 -1.132 25564 11779 1 22 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.204 -0.122 25564 11780 1 22 . 1 1 48 48 VAL C C 48 175.456 175.456 175.103 0.353 25564 11781 1 22 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.340 0.647 25564 11782 1 22 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.594 0.275 25564 11783 1 22 . 1 1 48 48 VAL H H 48 7.640 7.640 7.859 -0.219 25564 11784 1 22 . 1 1 49 49 GLU N N 49 119.528 119.528 120.214 -0.686 25564 11785 1 22 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.336 -0.188 25564 11786 1 22 . 1 1 49 49 GLU C C 49 176.081 176.081 176.487 -0.406 25564 11787 1 22 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.255 0.919 25564 11788 1 22 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.870 -0.703 25564 11789 1 22 . 1 1 49 49 GLU H H 49 8.150 8.150 7.562 0.588 25564 11790 1 22 . 1 1 50 50 GLY N N 50 108.013 108.013 109.142 -1.129 25564 11791 1 22 . 1 1 50 50 GLY C C 50 173.617 173.617 173.634 -0.017 25564 11792 1 22 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.963 0.447 25564 11793 1 22 . 1 1 50 50 GLY H H 50 8.144 8.144 8.440 -0.296 25564 11794 1 22 . 1 1 51 51 SER N N 51 115.893 115.893 117.361 -1.468 25564 11795 1 22 . 1 1 51 51 SER HA H 51 4.604 4.604 4.690 -0.086 25564 11796 1 22 . 1 1 51 51 SER CA C 51 58.145 58.145 57.837 0.308 25564 11797 1 22 . 1 1 51 51 SER CB C 51 64.429 64.429 63.156 1.274 25564 11798 1 22 . 1 1 51 51 SER H H 51 8.248 8.248 8.189 0.059 25564 11799 1 22 . 1 1 52 52 SER HA H 52 4.795 4.795 5.680 -0.885 25564 11800 1 22 . 1 1 52 52 SER C C 52 173.840 173.840 173.782 0.058 25564 11801 1 22 . 1 1 52 52 SER CA C 52 58.319 58.319 56.748 1.571 25564 11802 1 22 . 1 1 52 52 SER CB C 52 65.231 65.231 66.320 -1.089 25564 11803 1 22 . 1 1 53 53 THR N N 53 121.052 121.052 116.992 4.060 25564 11804 1 22 . 1 1 53 53 THR HA H 53 4.294 4.294 4.450 -0.156 25564 11805 1 22 . 1 1 53 53 THR C C 53 171.241 171.241 171.778 -0.537 25564 11806 1 22 . 1 1 53 53 THR CA C 53 62.799 62.799 61.686 1.113 25564 11807 1 22 . 1 1 53 53 THR CB C 53 70.995 70.995 72.421 -1.426 25564 11808 1 22 . 1 1 53 53 THR H H 53 8.344 8.344 8.460 -0.116 25564 11809 1 22 . 1 1 54 54 GLU N N 54 125.190 125.190 126.431 -1.241 25564 11810 1 22 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.577 0.037 25564 11811 1 22 . 1 1 54 54 GLU C C 54 175.175 175.175 175.393 -0.218 25564 11812 1 22 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.154 0.358 25564 11813 1 22 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.446 2.225 25564 11814 1 22 . 1 1 54 54 GLU H H 54 8.458 8.458 8.518 -0.060 25564 11815 1 22 . 1 1 55 55 LEU N N 55 125.745 125.745 126.631 -0.886 25564 11816 1 22 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.712 0.143 25564 11817 1 22 . 1 1 55 55 LEU C C 55 175.121 175.121 174.802 0.319 25564 11818 1 22 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.848 0.158 25564 11819 1 22 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.907 0.829 25564 11820 1 22 . 1 1 55 55 LEU H H 55 9.755 9.755 8.548 1.207 25564 11821 1 22 . 1 1 56 56 ASN N N 56 120.517 120.517 119.871 0.646 25564 11822 1 22 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.950 -0.386 25564 11823 1 22 . 1 1 56 56 ASN C C 56 174.180 174.180 174.245 -0.065 25564 11824 1 22 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.185 1.090 25564 11825 1 22 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.677 1.774 25564 11826 1 22 . 1 1 56 56 ASN H H 56 8.727 8.727 8.482 0.245 25564 11827 1 22 . 1 1 57 57 LEU N N 57 123.534 123.534 125.890 -2.356 25564 11828 1 22 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.091 0.044 25564 11829 1 22 . 1 1 57 57 LEU C C 57 174.960 174.960 174.932 0.028 25564 11830 1 22 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.713 0.412 25564 11831 1 22 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.823 -0.015 25564 11832 1 22 . 1 1 57 57 LEU H H 57 9.075 9.075 8.758 0.317 25564 11833 1 22 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.606 0.449 25564 11834 1 22 . 1 1 58 58 PRO C C 58 176.897 176.897 178.356 -1.459 25564 11835 1 22 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.485 0.105 25564 11836 1 22 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.237 1.630 25564 11837 1 22 . 1 1 59 59 GLU N N 59 117.522 117.522 119.972 -2.450 25564 11838 1 22 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.144 -0.163 25564 11839 1 22 . 1 1 59 59 GLU C C 59 175.246 175.246 176.672 -1.426 25564 11840 1 22 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.736 -0.831 25564 11841 1 22 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.860 0.064 25564 11842 1 22 . 1 1 59 59 GLU H H 59 8.905 8.905 8.676 0.229 25564 11843 1 22 . 1 1 60 60 THR N N 60 106.153 106.153 111.689 -5.536 25564 11844 1 22 . 1 1 60 60 THR HA H 60 4.155 4.155 4.403 -0.248 25564 11845 1 22 . 1 1 60 60 THR C C 60 175.087 175.087 173.214 1.873 25564 11846 1 22 . 1 1 60 60 THR CA C 60 61.646 61.646 60.572 1.074 25564 11847 1 22 . 1 1 60 60 THR CB C 60 69.638 69.638 68.093 1.545 25564 11848 1 22 . 1 1 60 60 THR H H 60 7.056 7.056 7.837 -0.781 25564 11849 1 22 . 1 1 61 61 ALA N N 61 125.590 125.590 123.243 2.347 25564 11850 1 22 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.316 0.034 25564 11851 1 22 . 1 1 61 61 ALA C C 61 176.988 176.988 175.868 1.120 25564 11852 1 22 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.417 2.053 25564 11853 1 22 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.407 0.817 25564 11854 1 22 . 1 1 61 61 ALA H H 61 7.808 7.808 8.199 -0.391 25564 11855 1 22 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.653 0.010 25564 11856 1 22 . 1 1 62 62 ASN C C 62 171.666 171.666 172.526 -0.860 25564 11857 1 22 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.288 -0.110 25564 11858 1 22 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.100 -0.424 25564 11859 1 22 . 1 1 63 63 SER N N 63 109.802 109.802 113.859 -4.057 25564 11860 1 22 . 1 1 63 63 SER HA H 63 4.341 4.341 4.493 -0.152 25564 11861 1 22 . 1 1 63 63 SER C C 63 172.378 172.378 172.381 -0.003 25564 11862 1 22 . 1 1 63 63 SER CA C 63 56.541 56.541 57.246 -0.705 25564 11863 1 22 . 1 1 63 63 SER CB C 63 65.498 65.498 64.919 0.579 25564 11864 1 22 . 1 1 63 63 SER H H 63 6.764 6.764 6.720 0.044 25564 11865 1 22 . 1 1 64 64 VAL N N 64 117.873 117.873 121.830 -3.957 25564 11866 1 22 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.474 -0.034 25564 11867 1 22 . 1 1 64 64 VAL C C 64 171.395 171.395 174.482 -3.087 25564 11868 1 22 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.290 1.454 25564 11869 1 22 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.765 0.326 25564 11870 1 22 . 1 1 64 64 VAL H H 64 8.793 8.793 8.730 0.063 25564 11871 1 22 . 1 1 65 65 THR N N 65 123.328 123.328 124.188 -0.860 25564 11872 1 22 . 1 1 65 65 THR HA H 65 4.703 4.703 4.626 0.077 25564 11873 1 22 . 1 1 65 65 THR C C 65 173.608 173.608 174.349 -0.741 25564 11874 1 22 . 1 1 65 65 THR CA C 65 62.094 62.094 62.411 -0.317 25564 11875 1 22 . 1 1 65 65 THR CB C 65 69.754 69.754 68.283 1.471 25564 11876 1 22 . 1 1 65 65 THR H H 65 8.377 8.377 8.629 -0.252 25564 11877 1 22 . 1 1 66 66 LEU N N 66 130.029 130.029 127.726 2.303 25564 11878 1 22 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.183 0.168 25564 11879 1 22 . 1 1 66 66 LEU C C 66 174.738 174.738 176.440 -1.702 25564 11880 1 22 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.476 -0.918 25564 11881 1 22 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.358 -0.151 25564 11882 1 22 . 1 1 66 66 LEU H H 66 9.232 9.232 8.717 0.515 25564 11883 1 22 . 1 1 67 67 SER N N 67 117.107 117.107 115.166 1.941 25564 11884 1 22 . 1 1 67 67 SER HA H 67 4.936 4.936 5.287 -0.351 25564 11885 1 22 . 1 1 67 67 SER C C 67 172.509 172.509 174.200 -1.691 25564 11886 1 22 . 1 1 67 67 SER CA C 67 57.340 57.340 56.713 0.627 25564 11887 1 22 . 1 1 67 67 SER CB C 67 66.115 66.115 66.571 -0.456 25564 11888 1 22 . 1 1 67 67 SER H H 67 8.174 8.174 8.276 -0.102 25564 11889 1 22 . 1 1 68 68 ASP N N 68 116.924 116.924 119.074 -2.150 25564 11890 1 22 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.256 0.098 25564 11891 1 22 . 1 1 68 68 ASP C C 68 175.654 175.654 174.902 0.752 25564 11892 1 22 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.386 0.216 25564 11893 1 22 . 1 1 68 68 ASP CB C 68 39.714 39.714 40.422 -0.708 25564 11894 1 22 . 1 1 68 68 ASP H H 68 9.003 9.003 8.443 0.560 25564 11895 1 22 . 1 1 69 69 LEU N N 69 116.713 116.713 116.029 0.684 25564 11896 1 22 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.448 -0.112 25564 11897 1 22 . 1 1 69 69 LEU C C 69 175.793 175.793 176.673 -0.880 25564 11898 1 22 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.620 -1.073 25564 11899 1 22 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.761 -1.728 25564 11900 1 22 . 1 1 69 69 LEU H H 69 8.605 8.605 7.539 1.066 25564 11901 1 22 . 1 1 70 70 GLN N N 70 118.301 118.301 118.729 -0.428 25564 11902 1 22 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.860 -0.094 25564 11903 1 22 . 1 1 70 70 GLN C C 70 174.178 174.178 173.686 0.492 25564 11904 1 22 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.138 0.810 25564 11905 1 22 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.640 -1.014 25564 11906 1 22 . 1 1 70 70 GLN H H 70 8.288 8.288 8.401 -0.113 25564 11907 1 22 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.185 1.067 25564 11908 1 22 . 1 1 71 71 PRO C C 71 177.837 177.837 177.419 0.418 25564 11909 1 22 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.690 -0.591 25564 11910 1 22 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.723 1.670 25564 11911 1 22 . 1 1 72 72 GLY N N 72 111.077 111.077 111.362 -0.285 25564 11912 1 22 . 1 1 72 72 GLY C C 72 174.621 174.621 173.473 1.148 25564 11913 1 22 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.291 1.935 25564 11914 1 22 . 1 1 72 72 GLY H H 72 7.348 7.348 8.471 -1.123 25564 11915 1 22 . 1 1 73 73 VAL N N 73 120.434 120.434 118.639 1.795 25564 11916 1 22 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.395 -0.283 25564 11917 1 22 . 1 1 73 73 VAL C C 73 173.963 173.963 174.644 -0.681 25564 11918 1 22 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.467 1.227 25564 11919 1 22 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.520 -0.097 25564 11920 1 22 . 1 1 73 73 VAL H H 73 7.670 7.670 8.187 -0.517 25564 11921 1 22 . 1 1 74 74 GLN N N 74 123.606 123.606 124.316 -0.710 25564 11922 1 22 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.464 -0.257 25564 11923 1 22 . 1 1 74 74 GLN C C 74 174.283 174.283 174.893 -0.610 25564 11924 1 22 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.589 0.916 25564 11925 1 22 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.509 1.966 25564 11926 1 22 . 1 1 74 74 GLN H H 74 8.263 8.263 8.718 -0.455 25564 11927 1 22 . 1 1 75 75 TYR N N 75 127.153 127.153 128.560 -1.407 25564 11928 1 22 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.789 -0.049 25564 11929 1 22 . 1 1 75 75 TYR C C 75 174.412 174.412 174.763 -0.351 25564 11930 1 22 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.710 1.473 25564 11931 1 22 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.131 0.750 25564 11932 1 22 . 1 1 75 75 TYR H H 75 8.916 8.916 9.053 -0.137 25564 11933 1 22 . 1 1 76 76 ASN N N 76 120.363 120.363 124.380 -4.017 25564 11934 1 22 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.052 0.141 25564 11935 1 22 . 1 1 76 76 ASN C C 76 174.903 174.903 174.274 0.629 25564 11936 1 22 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.492 -0.653 25564 11937 1 22 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.349 0.990 25564 11938 1 22 . 1 1 76 76 ASN H H 76 9.014 9.014 8.809 0.205 25564 11939 1 22 . 1 1 77 77 ILE N N 77 127.376 127.376 127.847 -0.471 25564 11940 1 22 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.418 0.230 25564 11941 1 22 . 1 1 77 77 ILE C C 77 173.510 173.510 175.119 -1.609 25564 11942 1 22 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.181 0.175 25564 11943 1 22 . 1 1 77 77 ILE CB C 77 40.911 40.911 37.888 3.023 25564 11944 1 22 . 1 1 77 77 ILE H H 77 9.466 9.466 9.017 0.449 25564 11945 1 22 . 1 1 78 78 THR N N 78 124.282 124.282 126.815 -2.533 25564 11946 1 22 . 1 1 78 78 THR HA H 78 5.117 5.117 5.437 -0.320 25564 11947 1 22 . 1 1 78 78 THR C C 78 173.140 173.140 173.676 -0.536 25564 11948 1 22 . 1 1 78 78 THR CA C 78 61.961 61.961 60.973 0.988 25564 11949 1 22 . 1 1 78 78 THR CB C 78 70.244 70.244 69.854 0.390 25564 11950 1 22 . 1 1 78 78 THR H H 78 9.535 9.535 8.839 0.696 25564 11951 1 22 . 1 1 79 79 ILE N N 79 125.033 125.033 125.944 -0.911 25564 11952 1 22 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.208 0.383 25564 11953 1 22 . 1 1 79 79 ILE C C 79 173.827 173.827 174.845 -1.018 25564 11954 1 22 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.208 2.540 25564 11955 1 22 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.252 3.018 25564 11956 1 22 . 1 1 79 79 ILE H H 79 8.974 8.974 8.341 0.633 25564 11957 1 22 . 1 1 80 80 TYR N N 80 122.647 122.647 124.511 -1.864 25564 11958 1 22 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.575 -0.056 25564 11959 1 22 . 1 1 80 80 TYR C C 80 177.072 177.072 174.039 3.033 25564 11960 1 22 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.935 0.466 25564 11961 1 22 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.230 0.671 25564 11962 1 22 . 1 1 80 80 TYR H H 80 9.137 9.137 8.893 0.244 25564 11963 1 22 . 1 1 81 81 ALA N N 81 124.412 124.412 127.570 -3.158 25564 11964 1 22 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.568 1.185 25564 11965 1 22 . 1 1 81 81 ALA C C 81 175.811 175.811 174.907 0.904 25564 11966 1 22 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.770 0.887 25564 11967 1 22 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.254 2.062 25564 11968 1 22 . 1 1 81 81 ALA H H 81 8.764 8.764 8.702 0.062 25564 11969 1 22 . 1 1 82 82 VAL N N 82 120.278 120.278 124.664 -4.386 25564 11970 1 22 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.411 0.202 25564 11971 1 22 . 1 1 82 82 VAL C C 82 174.662 174.662 173.965 0.697 25564 11972 1 22 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.187 0.992 25564 11973 1 22 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.596 -0.925 25564 11974 1 22 . 1 1 82 82 VAL H H 82 8.276 8.276 8.447 -0.171 25564 11975 1 22 . 1 1 83 83 GLU N N 83 127.125 127.125 127.048 0.077 25564 11976 1 22 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.942 -0.405 25564 11977 1 22 . 1 1 83 83 GLU C C 83 175.133 175.133 177.687 -2.554 25564 11978 1 22 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.328 1.672 25564 11979 1 22 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.506 0.210 25564 11980 1 22 . 1 1 83 83 GLU H H 83 8.849 8.849 8.629 0.220 25564 11981 1 22 . 1 1 84 84 GLU N N 84 125.009 125.009 121.357 3.652 25564 11982 1 22 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.964 -0.282 25564 11983 1 22 . 1 1 84 84 GLU C C 84 174.988 174.988 177.111 -2.123 25564 11984 1 22 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.744 -0.382 25564 11985 1 22 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.488 -1.766 25564 11986 1 22 . 1 1 84 84 GLU H H 84 8.952 8.952 9.019 -0.067 25564 11987 1 22 . 1 1 85 85 ASN N N 85 119.010 119.010 115.095 3.915 25564 11988 1 22 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.863 -0.157 25564 11989 1 22 . 1 1 85 85 ASN C C 85 174.499 174.499 173.797 0.702 25564 11990 1 22 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.218 0.735 25564 11991 1 22 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.664 -0.634 25564 11992 1 22 . 1 1 85 85 ASN H H 85 8.412 8.412 8.506 -0.094 25564 11993 1 22 . 1 1 86 86 GLN N N 86 119.080 119.080 118.878 0.202 25564 11994 1 22 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.620 -0.016 25564 11995 1 22 . 1 1 86 86 GLN C C 86 174.270 174.270 173.700 0.570 25564 11996 1 22 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.792 0.500 25564 11997 1 22 . 1 1 86 86 GLN CB C 86 32.011 32.011 33.213 -1.202 25564 11998 1 22 . 1 1 86 86 GLN H H 86 8.086 8.086 7.695 0.391 25564 11999 1 22 . 1 1 87 87 GLU N N 87 120.589 120.589 119.615 0.974 25564 12000 1 22 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.566 0.648 25564 12001 1 22 . 1 1 87 87 GLU C C 87 176.092 176.092 175.500 0.592 25564 12002 1 22 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.509 -0.787 25564 12003 1 22 . 1 1 87 87 GLU CB C 87 33.715 33.715 31.953 1.762 25564 12004 1 22 . 1 1 87 87 GLU H H 87 8.498 8.498 8.663 -0.165 25564 12005 1 22 . 1 1 88 88 SER N N 88 116.013 116.013 120.920 -4.907 25564 12006 1 22 . 1 1 88 88 SER HA H 88 4.547 4.547 4.550 -0.003 25564 12007 1 22 . 1 1 88 88 SER C C 88 175.202 175.202 175.344 -0.142 25564 12008 1 22 . 1 1 88 88 SER CA C 88 58.211 58.211 58.314 -0.103 25564 12009 1 22 . 1 1 88 88 SER CB C 88 66.959 66.959 64.024 2.935 25564 12010 1 22 . 1 1 88 88 SER H H 88 8.954 8.954 8.874 0.080 25564 12011 1 22 . 1 1 89 89 THR N N 89 114.798 114.798 113.757 1.041 25564 12012 1 22 . 1 1 89 89 THR HA H 89 4.520 4.520 4.393 0.127 25564 12013 1 22 . 1 1 89 89 THR C C 89 173.754 173.754 173.193 0.561 25564 12014 1 22 . 1 1 89 89 THR CA C 89 61.673 61.673 61.318 0.355 25564 12015 1 22 . 1 1 89 89 THR CB C 89 69.286 69.286 68.239 1.047 25564 12016 1 22 . 1 1 89 89 THR H H 89 8.559 8.559 8.381 0.178 25564 12017 1 22 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.921 -0.766 25564 12018 1 22 . 1 1 90 90 PRO C C 90 177.970 177.970 176.568 1.402 25564 12019 1 22 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.340 1.385 25564 12020 1 22 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.789 -0.386 25564 12021 1 22 . 1 1 91 91 VAL N N 91 120.679 120.679 123.925 -3.246 25564 12022 1 22 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.007 0.270 25564 12023 1 22 . 1 1 91 91 VAL C C 91 173.958 173.958 174.929 -0.971 25564 12024 1 22 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.462 -0.864 25564 12025 1 22 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.922 1.025 25564 12026 1 22 . 1 1 91 91 VAL H H 91 8.189 8.189 8.465 -0.276 25564 12027 1 22 . 1 1 92 92 VAL N N 92 125.593 125.593 127.438 -1.845 25564 12028 1 22 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.621 0.386 25564 12029 1 22 . 1 1 92 92 VAL C C 92 176.045 176.045 175.279 0.766 25564 12030 1 22 . 1 1 92 92 VAL CA C 92 61.361 61.361 60.840 0.521 25564 12031 1 22 . 1 1 92 92 VAL CB C 92 34.134 34.134 31.920 2.214 25564 12032 1 22 . 1 1 92 92 VAL H H 92 8.300 8.300 8.458 -0.158 25564 12033 1 22 . 1 1 93 93 ILE N N 93 127.733 127.733 124.356 3.377 25564 12034 1 22 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.698 -0.282 25564 12035 1 22 . 1 1 93 93 ILE C C 93 174.071 174.071 174.624 -0.553 25564 12036 1 22 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.920 -0.082 25564 12037 1 22 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.279 2.953 25564 12038 1 22 . 1 1 93 93 ILE H H 93 9.471 9.471 9.005 0.466 25564 12039 1 22 . 1 1 94 94 GLN N N 94 123.610 123.610 127.057 -3.447 25564 12040 1 22 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.979 0.562 25564 12041 1 22 . 1 1 94 94 GLN C C 94 175.328 175.328 175.318 0.010 25564 12042 1 22 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.581 0.000 25564 12043 1 22 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.442 2.587 25564 12044 1 22 . 1 1 94 94 GLN H H 94 8.522 8.522 8.698 -0.176 25564 12045 1 22 . 1 1 95 95 GLN N N 95 123.044 123.044 124.416 -1.372 25564 12046 1 22 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.631 -0.121 25564 12047 1 22 . 1 1 95 95 GLN C C 95 173.530 173.530 174.408 -0.878 25564 12048 1 22 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.213 0.709 25564 12049 1 22 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.551 -0.028 25564 12050 1 22 . 1 1 95 95 GLN H H 95 8.893 8.893 8.925 -0.032 25564 12051 1 22 . 1 1 96 96 GLU N N 96 128.881 128.881 126.648 2.233 25564 12052 1 22 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.873 0.870 25564 12053 1 22 . 1 1 96 96 GLU C C 96 178.926 178.926 176.766 2.160 25564 12054 1 22 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.227 -0.408 25564 12055 1 22 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.716 0.809 25564 12056 1 22 . 1 1 96 96 GLU H H 96 8.913 8.913 8.772 0.141 25564 12057 1 22 . 1 1 97 97 THR N N 97 116.022 116.022 120.414 -4.392 25564 12058 1 22 . 1 1 97 97 THR HA H 97 4.344 4.344 4.288 0.056 25564 12059 1 22 . 1 1 97 97 THR C C 97 176.660 176.660 175.755 0.905 25564 12060 1 22 . 1 1 97 97 THR CA C 97 61.453 61.453 63.502 -2.049 25564 12061 1 22 . 1 1 97 97 THR CB C 97 69.742 69.742 69.205 0.537 25564 12062 1 22 . 1 1 97 97 THR H H 97 8.740 8.740 8.817 -0.077 25564 12063 1 22 . 1 1 98 98 THR N N 98 110.068 110.068 121.758 -11.690 25564 12064 1 22 . 1 1 98 98 THR HA H 98 4.270 4.270 4.223 0.047 25564 12065 1 22 . 1 1 98 98 THR C C 98 173.859 173.859 175.428 -1.569 25564 12066 1 22 . 1 1 98 98 THR CA C 98 62.659 62.659 65.149 -2.490 25564 12067 1 22 . 1 1 98 98 THR CB C 98 69.654 69.654 69.020 0.634 25564 12068 1 22 . 1 1 98 98 THR H H 98 7.287 7.287 8.527 -1.240 25564 12069 1 22 . 1 1 99 99 GLY N N 99 103.540 103.540 109.521 -5.981 25564 12070 1 22 . 1 1 99 99 GLY C C 99 174.225 174.225 174.060 0.165 25564 12071 1 22 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.747 -0.792 25564 12072 1 22 . 1 1 99 99 GLY H H 99 8.033 8.033 8.140 -0.107 25564 12073 1 22 . 1 1 100 100 THR N N 100 114.887 114.887 120.100 -5.213 25564 12074 1 22 . 1 1 100 100 THR HA H 100 4.623 4.623 4.580 0.043 25564 12075 1 22 . 1 1 100 100 THR C C 100 172.336 172.336 172.542 -0.206 25564 12076 1 22 . 1 1 100 100 THR CA C 100 59.775 59.775 60.990 -1.215 25564 12077 1 22 . 1 1 100 100 THR CB C 100 70.644 70.644 69.083 1.561 25564 12078 1 22 . 1 1 100 100 THR H H 100 8.055 8.055 8.093 -0.038 25564 12079 1 22 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.374 0.125 25564 12080 1 22 . 1 1 101 101 PRO C C 101 177.344 177.344 177.283 0.061 25564 12081 1 22 . 1 1 101 101 PRO CA C 101 63.108 63.108 62.792 0.316 25564 12082 1 22 . 1 1 101 101 PRO CB C 101 32.286 32.286 32.329 -0.043 25564 12083 1 22 . 1 1 102 102 ARG N N 102 122.476 122.476 126.545 -4.069 25564 12084 1 22 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.404 -0.090 25564 12085 1 22 . 1 1 102 102 ARG C C 102 176.790 176.790 176.286 0.504 25564 12086 1 22 . 1 1 102 102 ARG CA C 102 56.404 56.404 55.288 1.116 25564 12087 1 22 . 1 1 102 102 ARG CB C 102 31.265 31.265 28.016 3.249 25564 12088 1 22 . 1 1 102 102 ARG H H 102 8.771 8.771 8.750 0.021 25564 12089 1 22 . 1 1 103 103 SER HA H 103 4.523 4.523 4.311 0.212 25564 12090 1 22 . 1 1 103 103 SER CA C 103 58.311 58.311 60.710 -2.399 25564 12091 1 22 . 1 1 103 103 SER CB C 103 64.168 64.168 63.673 0.495 25564 12092 1 22 . 1 1 104 104 ASP N N 104 122.461 122.461 118.577 3.884 25564 12093 1 22 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.766 -0.118 25564 12094 1 22 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.179 0.387 25564 12095 1 22 . 1 1 104 104 ASP CB C 104 41.383 41.383 42.064 -0.681 25564 12096 1 22 . 1 1 104 104 ASP H H 104 8.418 8.418 8.019 0.399 25564 12097 1 22 . 1 1 105 105 GLY N N 105 109.250 109.250 108.869 0.381 25564 12098 1 22 . 1 1 105 105 GLY C C 105 173.987 173.987 174.209 -0.222 25564 12099 1 22 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.755 0.018 25564 12100 1 22 . 1 1 105 105 GLY H H 105 8.390 8.390 8.747 -0.357 25564 12101 1 23 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.470 0.153 25564 12102 1 23 . 1 1 3 3 HIS CA C 3 56.936 56.936 58.182 -1.246 25564 12103 1 23 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.256 1.015 25564 12104 1 23 . 1 1 7 7 THR HA H 7 4.470 4.470 4.105 0.365 25564 12105 1 23 . 1 1 7 7 THR CA C 7 61.923 61.923 62.882 -0.959 25564 12106 1 23 . 1 1 7 7 THR CB C 7 70.142 70.142 67.557 2.585 25564 12107 1 23 . 1 1 8 8 THR N N 8 116.706 116.706 117.657 -0.951 25564 12108 1 23 . 1 1 8 8 THR HA H 8 4.371 4.371 4.141 0.230 25564 12109 1 23 . 1 1 8 8 THR C C 8 173.590 173.590 175.030 -1.440 25564 12110 1 23 . 1 1 8 8 THR CA C 8 61.606 61.606 64.007 -2.401 25564 12111 1 23 . 1 1 8 8 THR CB C 8 70.303 70.303 68.961 1.342 25564 12112 1 23 . 1 1 8 8 THR H H 8 8.238 8.238 8.059 0.179 25564 12113 1 23 . 1 1 9 9 ALA N N 9 127.030 127.030 127.697 -0.667 25564 12114 1 23 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.086 0.207 25564 12115 1 23 . 1 1 9 9 ALA C C 9 175.005 175.005 174.998 0.007 25564 12116 1 23 . 1 1 9 9 ALA CA C 9 50.813 50.813 51.648 -0.835 25564 12117 1 23 . 1 1 9 9 ALA CB C 9 18.430 18.430 17.844 0.586 25564 12118 1 23 . 1 1 9 9 ALA H H 9 8.220 8.220 8.521 -0.301 25564 12119 1 23 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.433 -0.104 25564 12120 1 23 . 1 1 10 10 PRO C C 10 175.138 175.138 175.974 -0.836 25564 12121 1 23 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.370 0.427 25564 12122 1 23 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.518 -0.681 25564 12123 1 23 . 1 1 11 11 ASP N N 11 116.244 116.244 120.190 -3.946 25564 12124 1 23 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.611 -0.201 25564 12125 1 23 . 1 1 11 11 ASP C C 11 174.009 174.009 175.559 -1.550 25564 12126 1 23 . 1 1 11 11 ASP CA C 11 53.383 53.383 54.182 -0.799 25564 12127 1 23 . 1 1 11 11 ASP CB C 11 39.829 39.829 41.978 -2.149 25564 12128 1 23 . 1 1 11 11 ASP H H 11 9.038 9.038 8.374 0.664 25564 12129 1 23 . 1 1 12 12 ALA N N 12 120.012 120.012 123.394 -3.382 25564 12130 1 23 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.619 -0.152 25564 12131 1 23 . 1 1 12 12 ALA C C 12 175.669 175.669 175.170 0.499 25564 12132 1 23 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.609 0.631 25564 12133 1 23 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.822 -0.912 25564 12134 1 23 . 1 1 12 12 ALA H H 12 7.944 7.944 8.413 -0.469 25564 12135 1 23 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.108 -0.619 25564 12136 1 23 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.574 -0.249 25564 12137 1 23 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.293 0.536 25564 12138 1 23 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.283 0.203 25564 12139 1 23 . 1 1 14 14 PRO C C 14 175.966 175.966 176.710 -0.744 25564 12140 1 23 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.947 0.048 25564 12141 1 23 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.213 0.416 25564 12142 1 23 . 1 1 15 15 ASP N N 15 117.405 117.405 121.919 -4.514 25564 12143 1 23 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.404 0.154 25564 12144 1 23 . 1 1 15 15 ASP C C 15 173.011 173.011 174.967 -1.956 25564 12145 1 23 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.537 -0.307 25564 12146 1 23 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.536 0.786 25564 12147 1 23 . 1 1 15 15 ASP H H 15 8.470 8.470 8.489 -0.019 25564 12148 1 23 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.688 0.664 25564 12149 1 23 . 1 1 16 16 PRO C C 16 177.534 177.534 176.483 1.051 25564 12150 1 23 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.350 0.254 25564 12151 1 23 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.775 -1.291 25564 12152 1 23 . 1 1 17 17 THR N N 17 117.955 117.955 118.095 -0.140 25564 12153 1 23 . 1 1 17 17 THR HA H 17 4.563 4.563 4.612 -0.049 25564 12154 1 23 . 1 1 17 17 THR C C 17 172.578 172.578 174.182 -1.604 25564 12155 1 23 . 1 1 17 17 THR CA C 17 61.093 61.093 61.472 -0.379 25564 12156 1 23 . 1 1 17 17 THR CB C 17 72.478 72.478 70.886 1.592 25564 12157 1 23 . 1 1 17 17 THR H H 17 9.415 9.415 8.653 0.762 25564 12158 1 23 . 1 1 18 18 VAL N N 18 124.494 124.494 128.147 -3.653 25564 12159 1 23 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.097 0.275 25564 12160 1 23 . 1 1 18 18 VAL C C 18 175.392 175.392 175.768 -0.376 25564 12161 1 23 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.245 -0.395 25564 12162 1 23 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.160 -0.086 25564 12163 1 23 . 1 1 18 18 VAL H H 18 8.645 8.645 8.809 -0.164 25564 12164 1 23 . 1 1 19 19 ASP N N 19 129.904 129.904 128.054 1.850 25564 12165 1 23 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.567 0.155 25564 12166 1 23 . 1 1 19 19 ASP C C 19 175.427 175.427 175.662 -0.235 25564 12167 1 23 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.740 -0.837 25564 12168 1 23 . 1 1 19 19 ASP CB C 19 44.271 44.271 41.958 2.313 25564 12169 1 23 . 1 1 19 19 ASP H H 19 8.805 8.805 8.532 0.273 25564 12170 1 23 . 1 1 20 20 GLN N N 20 115.835 115.835 117.948 -2.113 25564 12171 1 23 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.595 -0.145 25564 12172 1 23 . 1 1 20 20 GLN C C 20 173.593 173.593 173.920 -0.327 25564 12173 1 23 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.752 1.193 25564 12174 1 23 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.237 -1.248 25564 12175 1 23 . 1 1 20 20 GLN H H 20 7.431 7.431 7.579 -0.148 25564 12176 1 23 . 1 1 21 21 VAL N N 21 122.956 122.956 123.985 -1.029 25564 12177 1 23 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.252 0.467 25564 12178 1 23 . 1 1 21 21 VAL C C 21 173.753 173.753 174.494 -0.741 25564 12179 1 23 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.609 -0.290 25564 12180 1 23 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.264 1.739 25564 12181 1 23 . 1 1 21 21 VAL H H 21 8.317 8.317 8.490 -0.173 25564 12182 1 23 . 1 1 22 22 ASP N N 22 129.722 129.722 125.898 3.824 25564 12183 1 23 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.060 -0.306 25564 12184 1 23 . 1 1 22 22 ASP C C 22 176.114 176.114 175.601 0.513 25564 12185 1 23 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.692 0.947 25564 12186 1 23 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.271 -2.894 25564 12187 1 23 . 1 1 22 22 ASP H H 22 8.778 8.778 8.434 0.344 25564 12188 1 23 . 1 1 23 23 ASP N N 23 115.970 115.970 116.933 -0.963 25564 12189 1 23 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.453 0.181 25564 12190 1 23 . 1 1 23 23 ASP C C 23 175.820 175.820 175.778 0.042 25564 12191 1 23 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.113 -0.786 25564 12192 1 23 . 1 1 23 23 ASP CB C 23 40.906 40.906 41.295 -0.389 25564 12193 1 23 . 1 1 23 23 ASP H H 23 8.049 8.049 8.702 -0.653 25564 12194 1 23 . 1 1 24 24 THR N N 24 97.756 97.756 105.597 -7.841 25564 12195 1 23 . 1 1 24 24 THR HA H 24 4.566 4.566 4.513 0.053 25564 12196 1 23 . 1 1 24 24 THR C C 24 174.274 174.274 172.689 1.585 25564 12197 1 23 . 1 1 24 24 THR CA C 24 59.595 59.595 60.040 -0.445 25564 12198 1 23 . 1 1 24 24 THR CB C 24 71.670 71.670 69.191 2.479 25564 12199 1 23 . 1 1 24 24 THR H H 24 7.392 7.392 7.769 -0.377 25564 12200 1 23 . 1 1 25 25 SER N N 25 116.249 116.249 114.708 1.541 25564 12201 1 23 . 1 1 25 25 SER HA H 25 5.440 5.440 5.370 0.070 25564 12202 1 23 . 1 1 25 25 SER C C 25 171.891 171.891 172.331 -0.440 25564 12203 1 23 . 1 1 25 25 SER CA C 25 57.670 57.670 57.892 -0.222 25564 12204 1 23 . 1 1 25 25 SER CB C 25 67.439 67.439 65.591 1.848 25564 12205 1 23 . 1 1 25 25 SER H H 25 7.693 7.693 7.524 0.169 25564 12206 1 23 . 1 1 26 26 ILE N N 26 118.594 118.594 122.311 -3.717 25564 12207 1 23 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.746 -0.332 25564 12208 1 23 . 1 1 26 26 ILE C C 26 174.020 174.020 173.667 0.353 25564 12209 1 23 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.467 0.667 25564 12210 1 23 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.984 2.104 25564 12211 1 23 . 1 1 26 26 ILE H H 26 8.141 8.141 8.613 -0.472 25564 12212 1 23 . 1 1 27 27 VAL N N 27 126.778 126.778 124.991 1.787 25564 12213 1 23 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.201 -0.228 25564 12214 1 23 . 1 1 27 27 VAL C C 27 175.692 175.692 175.117 0.575 25564 12215 1 23 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.571 1.878 25564 12216 1 23 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.390 0.423 25564 12217 1 23 . 1 1 27 27 VAL H H 27 8.642 8.642 8.657 -0.015 25564 12218 1 23 . 1 1 28 28 VAL N N 28 127.624 127.624 121.670 5.954 25564 12219 1 23 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.915 -0.055 25564 12220 1 23 . 1 1 28 28 VAL C C 28 173.467 173.467 173.893 -0.426 25564 12221 1 23 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.073 1.381 25564 12222 1 23 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.375 -0.423 25564 12223 1 23 . 1 1 28 28 VAL H H 28 8.656 8.656 8.928 -0.272 25564 12224 1 23 . 1 1 29 29 ARG N N 29 123.905 123.905 124.874 -0.969 25564 12225 1 23 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.975 -0.258 25564 12226 1 23 . 1 1 29 29 ARG C C 29 174.147 174.147 175.328 -1.181 25564 12227 1 23 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.377 0.489 25564 12228 1 23 . 1 1 29 29 ARG CB C 29 34.191 34.191 33.029 1.162 25564 12229 1 23 . 1 1 29 29 ARG H H 29 9.075 9.075 8.427 0.648 25564 12230 1 23 . 1 1 30 30 TRP N N 30 116.284 116.284 123.627 -7.343 25564 12231 1 23 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.111 -0.265 25564 12232 1 23 . 1 1 30 30 TRP C C 30 174.778 174.778 175.600 -0.822 25564 12233 1 23 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.693 2.842 25564 12234 1 23 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.768 -0.470 25564 12235 1 23 . 1 1 30 30 TRP H H 30 7.512 7.512 8.051 -0.539 25564 12236 1 23 . 1 1 31 31 SER HA H 31 4.747 4.747 4.716 0.031 25564 12237 1 23 . 1 1 31 31 SER C C 31 172.773 172.773 174.441 -1.668 25564 12238 1 23 . 1 1 31 31 SER CA C 31 57.875 57.875 57.355 0.520 25564 12239 1 23 . 1 1 31 31 SER CB C 31 64.093 64.093 62.532 1.561 25564 12240 1 23 . 1 1 32 32 ARG N N 32 122.062 122.062 125.815 -3.753 25564 12241 1 23 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.694 0.185 25564 12242 1 23 . 1 1 32 32 ARG C C 32 175.788 175.788 174.849 0.939 25564 12243 1 23 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.306 -0.021 25564 12244 1 23 . 1 1 32 32 ARG CB C 32 31.420 31.420 28.722 2.698 25564 12245 1 23 . 1 1 32 32 ARG H H 32 8.337 8.337 7.710 0.627 25564 12246 1 23 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.517 -0.041 25564 12247 1 23 . 1 1 33 33 PRO C C 33 175.739 175.739 176.841 -1.102 25564 12248 1 23 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.825 0.141 25564 12249 1 23 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.565 0.410 25564 12250 1 23 . 1 1 34 34 GLN N N 34 122.510 122.510 118.109 4.401 25564 12251 1 23 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.358 -0.204 25564 12252 1 23 . 1 1 34 34 GLN C C 34 177.396 177.396 176.008 1.388 25564 12253 1 23 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.020 1.483 25564 12254 1 23 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.911 0.735 25564 12255 1 23 . 1 1 34 34 GLN H H 34 10.310 10.310 8.562 1.748 25564 12256 1 23 . 1 1 35 35 ALA N N 35 123.797 123.797 123.888 -0.091 25564 12257 1 23 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.606 -0.128 25564 12258 1 23 . 1 1 35 35 ALA C C 35 174.959 174.959 175.221 -0.262 25564 12259 1 23 . 1 1 35 35 ALA CA C 35 50.867 50.867 49.469 1.398 25564 12260 1 23 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.908 0.262 25564 12261 1 23 . 1 1 35 35 ALA H H 35 8.725 8.725 7.653 1.072 25564 12262 1 23 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.531 0.052 25564 12263 1 23 . 1 1 36 36 PRO C C 36 175.555 175.555 175.700 -0.145 25564 12264 1 23 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.985 0.017 25564 12265 1 23 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.349 -1.375 25564 12266 1 23 . 1 1 37 37 ILE N N 37 114.656 114.656 117.962 -3.306 25564 12267 1 23 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.676 -0.276 25564 12268 1 23 . 1 1 37 37 ILE C C 37 176.204 176.204 175.751 0.453 25564 12269 1 23 . 1 1 37 37 ILE CA C 37 61.111 61.111 58.801 2.310 25564 12270 1 23 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.590 1.052 25564 12271 1 23 . 1 1 37 37 ILE H H 37 7.946 7.946 7.827 0.119 25564 12272 1 23 . 1 1 38 38 THR N N 38 109.332 109.332 114.256 -4.924 25564 12273 1 23 . 1 1 38 38 THR HA H 38 4.576 4.576 4.582 -0.006 25564 12274 1 23 . 1 1 38 38 THR C C 38 175.325 175.325 175.561 -0.236 25564 12275 1 23 . 1 1 38 38 THR CA C 38 61.858 61.858 62.521 -0.663 25564 12276 1 23 . 1 1 38 38 THR CB C 38 69.971 69.971 70.060 -0.089 25564 12277 1 23 . 1 1 38 38 THR H H 38 9.767 9.767 8.927 0.840 25564 12278 1 23 . 1 1 39 39 GLY N N 39 109.326 109.326 108.933 0.393 25564 12279 1 23 . 1 1 39 39 GLY C C 39 169.390 169.390 171.686 -2.296 25564 12280 1 23 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.022 -0.382 25564 12281 1 23 . 1 1 39 39 GLY H H 39 7.641 7.641 7.889 -0.248 25564 12282 1 23 . 1 1 40 40 TYR N N 40 113.638 113.638 118.517 -4.879 25564 12283 1 23 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.662 -0.310 25564 12284 1 23 . 1 1 40 40 TYR C C 40 174.719 174.719 175.077 -0.358 25564 12285 1 23 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.586 0.403 25564 12286 1 23 . 1 1 40 40 TYR CB C 40 43.319 43.319 43.151 0.168 25564 12287 1 23 . 1 1 40 40 TYR H H 40 8.470 8.470 8.723 -0.253 25564 12288 1 23 . 1 1 41 41 ARG N N 41 125.140 125.140 121.872 3.268 25564 12289 1 23 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.504 -0.222 25564 12290 1 23 . 1 1 41 41 ARG C C 41 173.714 173.714 175.269 -1.555 25564 12291 1 23 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.552 1.217 25564 12292 1 23 . 1 1 41 41 ARG CB C 41 34.701 34.701 33.324 1.377 25564 12293 1 23 . 1 1 41 41 ARG H H 41 9.148 9.148 9.020 0.128 25564 12294 1 23 . 1 1 42 42 ILE N N 42 126.999 126.999 122.347 4.652 25564 12295 1 23 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.058 0.284 25564 12296 1 23 . 1 1 42 42 ILE C C 42 174.706 174.706 174.632 0.074 25564 12297 1 23 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.741 -1.958 25564 12298 1 23 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.953 -0.559 25564 12299 1 23 . 1 1 42 42 ILE H H 42 9.237 9.237 8.881 0.356 25564 12300 1 23 . 1 1 43 43 VAL N N 43 126.775 126.775 128.877 -2.102 25564 12301 1 23 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.994 0.354 25564 12302 1 23 . 1 1 43 43 VAL C C 43 175.795 175.795 175.390 0.405 25564 12303 1 23 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.962 -0.359 25564 12304 1 23 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.168 2.011 25564 12305 1 23 . 1 1 43 43 VAL H H 43 9.369 9.369 9.041 0.328 25564 12306 1 23 . 1 1 44 44 TYR N N 44 122.788 122.788 126.672 -3.884 25564 12307 1 23 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.939 0.305 25564 12308 1 23 . 1 1 44 44 TYR C C 44 174.353 174.353 175.002 -0.649 25564 12309 1 23 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.328 1.081 25564 12310 1 23 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.795 3.555 25564 12311 1 23 . 1 1 44 44 TYR H H 44 9.253 9.253 8.839 0.414 25564 12312 1 23 . 1 1 45 45 SER N N 45 114.339 114.339 116.468 -2.129 25564 12313 1 23 . 1 1 45 45 SER HA H 45 5.208 5.208 4.833 0.375 25564 12314 1 23 . 1 1 45 45 SER C C 45 171.693 171.693 172.076 -0.383 25564 12315 1 23 . 1 1 45 45 SER CA C 45 55.870 55.870 55.001 0.869 25564 12316 1 23 . 1 1 45 45 SER CB C 45 65.646 65.646 64.927 0.719 25564 12317 1 23 . 1 1 45 45 SER H H 45 8.797 8.797 8.954 -0.157 25564 12318 1 23 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.547 -0.161 25564 12319 1 23 . 1 1 46 46 PRO C C 46 177.666 177.666 177.534 0.132 25564 12320 1 23 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.300 0.392 25564 12321 1 23 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.559 0.458 25564 12322 1 23 . 1 1 47 47 SER N N 47 118.732 118.732 121.296 -2.564 25564 12323 1 23 . 1 1 47 47 SER HA H 47 4.069 4.069 4.119 -0.050 25564 12324 1 23 . 1 1 47 47 SER C C 47 175.055 175.055 175.246 -0.191 25564 12325 1 23 . 1 1 47 47 SER CA C 47 60.992 60.992 61.373 -0.381 25564 12326 1 23 . 1 1 47 47 SER CB C 47 63.541 63.541 63.095 0.446 25564 12327 1 23 . 1 1 47 47 SER H H 47 8.648 8.648 8.726 -0.078 25564 12328 1 23 . 1 1 48 48 VAL N N 48 117.213 117.213 115.551 1.662 25564 12329 1 23 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.096 -0.014 25564 12330 1 23 . 1 1 48 48 VAL C C 48 175.456 175.456 174.565 0.891 25564 12331 1 23 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.299 0.688 25564 12332 1 23 . 1 1 48 48 VAL CB C 48 32.869 32.869 33.038 -0.169 25564 12333 1 23 . 1 1 48 48 VAL H H 48 7.640 7.640 7.869 -0.229 25564 12334 1 23 . 1 1 49 49 GLU N N 49 119.528 119.528 118.166 1.362 25564 12335 1 23 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.301 -0.153 25564 12336 1 23 . 1 1 49 49 GLU C C 49 176.081 176.081 174.804 1.277 25564 12337 1 23 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.214 0.960 25564 12338 1 23 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.609 -0.441 25564 12339 1 23 . 1 1 49 49 GLU H H 49 8.150 8.150 7.606 0.544 25564 12340 1 23 . 1 1 50 50 GLY N N 50 108.013 108.013 109.974 -1.961 25564 12341 1 23 . 1 1 50 50 GLY C C 50 173.617 173.617 173.718 -0.101 25564 12342 1 23 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.718 0.692 25564 12343 1 23 . 1 1 50 50 GLY H H 50 8.144 8.144 8.348 -0.204 25564 12344 1 23 . 1 1 51 51 SER N N 51 115.893 115.893 120.231 -4.338 25564 12345 1 23 . 1 1 51 51 SER HA H 51 4.604 4.604 4.922 -0.318 25564 12346 1 23 . 1 1 51 51 SER CA C 51 58.145 58.145 58.090 0.055 25564 12347 1 23 . 1 1 51 51 SER CB C 51 64.429 64.429 63.745 0.684 25564 12348 1 23 . 1 1 51 51 SER H H 51 8.248 8.248 8.400 -0.152 25564 12349 1 23 . 1 1 52 52 SER HA H 52 4.795 4.795 5.569 -0.774 25564 12350 1 23 . 1 1 52 52 SER C C 52 173.840 173.840 173.911 -0.071 25564 12351 1 23 . 1 1 52 52 SER CA C 52 58.319 58.319 57.414 0.905 25564 12352 1 23 . 1 1 52 52 SER CB C 52 65.231 65.231 66.203 -0.972 25564 12353 1 23 . 1 1 53 53 THR N N 53 121.052 121.052 118.437 2.615 25564 12354 1 23 . 1 1 53 53 THR HA H 53 4.294 4.294 4.464 -0.170 25564 12355 1 23 . 1 1 53 53 THR C C 53 171.241 171.241 171.703 -0.462 25564 12356 1 23 . 1 1 53 53 THR CA C 53 62.799 62.799 61.121 1.678 25564 12357 1 23 . 1 1 53 53 THR CB C 53 70.995 70.995 72.259 -1.264 25564 12358 1 23 . 1 1 53 53 THR H H 53 8.344 8.344 8.525 -0.181 25564 12359 1 23 . 1 1 54 54 GLU N N 54 125.190 125.190 124.282 0.908 25564 12360 1 23 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.525 0.089 25564 12361 1 23 . 1 1 54 54 GLU C C 54 175.175 175.175 175.372 -0.197 25564 12362 1 23 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.401 0.111 25564 12363 1 23 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.581 2.090 25564 12364 1 23 . 1 1 54 54 GLU H H 54 8.458 8.458 8.402 0.056 25564 12365 1 23 . 1 1 55 55 LEU N N 55 125.745 125.745 126.834 -1.089 25564 12366 1 23 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.728 0.127 25564 12367 1 23 . 1 1 55 55 LEU C C 55 175.121 175.121 175.250 -0.129 25564 12368 1 23 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.973 0.033 25564 12369 1 23 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.874 0.862 25564 12370 1 23 . 1 1 55 55 LEU H H 55 9.755 9.755 8.781 0.974 25564 12371 1 23 . 1 1 56 56 ASN N N 56 120.517 120.517 118.769 1.748 25564 12372 1 23 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.847 -0.283 25564 12373 1 23 . 1 1 56 56 ASN C C 56 174.180 174.180 174.489 -0.309 25564 12374 1 23 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.524 0.751 25564 12375 1 23 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.641 0.810 25564 12376 1 23 . 1 1 56 56 ASN H H 56 8.727 8.727 8.471 0.256 25564 12377 1 23 . 1 1 57 57 LEU N N 57 123.534 123.534 124.388 -0.854 25564 12378 1 23 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.105 0.030 25564 12379 1 23 . 1 1 57 57 LEU C C 57 174.960 174.960 174.873 0.087 25564 12380 1 23 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.790 0.335 25564 12381 1 23 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.484 0.323 25564 12382 1 23 . 1 1 57 57 LEU H H 57 9.075 9.075 8.751 0.324 25564 12383 1 23 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.565 0.490 25564 12384 1 23 . 1 1 58 58 PRO C C 58 176.897 176.897 178.399 -1.502 25564 12385 1 23 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.630 -0.040 25564 12386 1 23 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.218 1.649 25564 12387 1 23 . 1 1 59 59 GLU N N 59 117.522 117.522 120.599 -3.077 25564 12388 1 23 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.075 -0.094 25564 12389 1 23 . 1 1 59 59 GLU C C 59 175.246 175.246 176.581 -1.335 25564 12390 1 23 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.641 -0.736 25564 12391 1 23 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.848 0.076 25564 12392 1 23 . 1 1 59 59 GLU H H 59 8.905 8.905 8.655 0.250 25564 12393 1 23 . 1 1 60 60 THR N N 60 106.153 106.153 112.612 -6.459 25564 12394 1 23 . 1 1 60 60 THR HA H 60 4.155 4.155 4.415 -0.260 25564 12395 1 23 . 1 1 60 60 THR C C 60 175.087 175.087 173.234 1.853 25564 12396 1 23 . 1 1 60 60 THR CA C 60 61.646 61.646 60.524 1.122 25564 12397 1 23 . 1 1 60 60 THR CB C 60 69.638 69.638 68.105 1.533 25564 12398 1 23 . 1 1 60 60 THR H H 60 7.056 7.056 7.889 -0.833 25564 12399 1 23 . 1 1 61 61 ALA N N 61 125.590 125.590 123.895 1.695 25564 12400 1 23 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.289 0.061 25564 12401 1 23 . 1 1 61 61 ALA C C 61 176.988 176.988 175.801 1.187 25564 12402 1 23 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.563 1.907 25564 12403 1 23 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.311 0.913 25564 12404 1 23 . 1 1 61 61 ALA H H 61 7.808 7.808 8.175 -0.367 25564 12405 1 23 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.624 0.039 25564 12406 1 23 . 1 1 62 62 ASN C C 62 171.666 171.666 172.494 -0.828 25564 12407 1 23 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.202 -0.024 25564 12408 1 23 . 1 1 62 62 ASN CB C 62 39.676 39.676 39.917 -0.241 25564 12409 1 23 . 1 1 63 63 SER N N 63 109.802 109.802 113.622 -3.820 25564 12410 1 23 . 1 1 63 63 SER HA H 63 4.341 4.341 4.443 -0.102 25564 12411 1 23 . 1 1 63 63 SER C C 63 172.378 172.378 172.341 0.037 25564 12412 1 23 . 1 1 63 63 SER CA C 63 56.541 56.541 57.242 -0.701 25564 12413 1 23 . 1 1 63 63 SER CB C 63 65.498 65.498 64.861 0.637 25564 12414 1 23 . 1 1 63 63 SER H H 63 6.764 6.764 6.677 0.087 25564 12415 1 23 . 1 1 64 64 VAL N N 64 117.873 117.873 122.104 -4.231 25564 12416 1 23 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.505 -0.064 25564 12417 1 23 . 1 1 64 64 VAL C C 64 171.395 171.395 174.276 -2.881 25564 12418 1 23 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.466 1.278 25564 12419 1 23 . 1 1 64 64 VAL CB C 64 35.091 35.091 34.630 0.461 25564 12420 1 23 . 1 1 64 64 VAL H H 64 8.793 8.793 8.735 0.058 25564 12421 1 23 . 1 1 65 65 THR N N 65 123.328 123.328 124.562 -1.234 25564 12422 1 23 . 1 1 65 65 THR HA H 65 4.703 4.703 4.495 0.208 25564 12423 1 23 . 1 1 65 65 THR C C 65 173.608 173.608 174.201 -0.593 25564 12424 1 23 . 1 1 65 65 THR CA C 65 62.094 62.094 62.499 -0.405 25564 12425 1 23 . 1 1 65 65 THR CB C 65 69.754 69.754 68.377 1.377 25564 12426 1 23 . 1 1 65 65 THR H H 65 8.377 8.377 8.549 -0.172 25564 12427 1 23 . 1 1 66 66 LEU N N 66 130.029 130.029 128.135 1.894 25564 12428 1 23 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.215 0.136 25564 12429 1 23 . 1 1 66 66 LEU C C 66 174.738 174.738 176.248 -1.510 25564 12430 1 23 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.583 -1.025 25564 12431 1 23 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.032 -0.827 25564 12432 1 23 . 1 1 66 66 LEU H H 66 9.232 9.232 8.558 0.674 25564 12433 1 23 . 1 1 67 67 SER N N 67 117.107 117.107 114.888 2.219 25564 12434 1 23 . 1 1 67 67 SER HA H 67 4.936 4.936 4.988 -0.052 25564 12435 1 23 . 1 1 67 67 SER C C 67 172.509 172.509 173.976 -1.467 25564 12436 1 23 . 1 1 67 67 SER CA C 67 57.340 57.340 56.717 0.624 25564 12437 1 23 . 1 1 67 67 SER CB C 67 66.115 66.115 65.977 0.138 25564 12438 1 23 . 1 1 67 67 SER H H 67 8.174 8.174 8.331 -0.157 25564 12439 1 23 . 1 1 68 68 ASP N N 68 116.924 116.924 119.085 -2.161 25564 12440 1 23 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.310 0.044 25564 12441 1 23 . 1 1 68 68 ASP C C 68 175.654 175.654 175.308 0.346 25564 12442 1 23 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.680 -0.078 25564 12443 1 23 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.683 0.031 25564 12444 1 23 . 1 1 68 68 ASP H H 68 9.003 9.003 8.290 0.713 25564 12445 1 23 . 1 1 69 69 LEU N N 69 116.713 116.713 116.234 0.479 25564 12446 1 23 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.290 0.046 25564 12447 1 23 . 1 1 69 69 LEU C C 69 175.793 175.793 177.156 -1.363 25564 12448 1 23 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.891 -1.343 25564 12449 1 23 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.700 -1.667 25564 12450 1 23 . 1 1 69 69 LEU H H 69 8.605 8.605 6.994 1.611 25564 12451 1 23 . 1 1 70 70 GLN N N 70 118.301 118.301 119.051 -0.750 25564 12452 1 23 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.822 -0.056 25564 12453 1 23 . 1 1 70 70 GLN C C 70 174.178 174.178 173.726 0.452 25564 12454 1 23 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.327 0.622 25564 12455 1 23 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.427 -0.801 25564 12456 1 23 . 1 1 70 70 GLN H H 70 8.288 8.288 8.524 -0.236 25564 12457 1 23 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.152 1.100 25564 12458 1 23 . 1 1 71 71 PRO C C 71 177.837 177.837 177.454 0.383 25564 12459 1 23 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.530 -0.432 25564 12460 1 23 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.689 1.704 25564 12461 1 23 . 1 1 72 72 GLY N N 72 111.077 111.077 110.926 0.151 25564 12462 1 23 . 1 1 72 72 GLY C C 72 174.621 174.621 173.511 1.110 25564 12463 1 23 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.271 1.955 25564 12464 1 23 . 1 1 72 72 GLY H H 72 7.348 7.348 8.427 -1.079 25564 12465 1 23 . 1 1 73 73 VAL N N 73 120.434 120.434 119.248 1.186 25564 12466 1 23 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.386 -0.274 25564 12467 1 23 . 1 1 73 73 VAL C C 73 173.963 173.963 174.703 -0.740 25564 12468 1 23 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.426 1.268 25564 12469 1 23 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.057 0.366 25564 12470 1 23 . 1 1 73 73 VAL H H 73 7.670 7.670 7.962 -0.292 25564 12471 1 23 . 1 1 74 74 GLN N N 74 123.606 123.606 124.399 -0.793 25564 12472 1 23 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.520 -0.313 25564 12473 1 23 . 1 1 74 74 GLN C C 74 174.283 174.283 174.766 -0.483 25564 12474 1 23 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.633 0.872 25564 12475 1 23 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.191 1.284 25564 12476 1 23 . 1 1 74 74 GLN H H 74 8.263 8.263 8.712 -0.449 25564 12477 1 23 . 1 1 75 75 TYR N N 75 127.153 127.153 127.895 -0.742 25564 12478 1 23 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.805 -0.065 25564 12479 1 23 . 1 1 75 75 TYR C C 75 174.412 174.412 174.743 -0.331 25564 12480 1 23 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.691 1.492 25564 12481 1 23 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.291 0.590 25564 12482 1 23 . 1 1 75 75 TYR H H 75 8.916 8.916 9.094 -0.178 25564 12483 1 23 . 1 1 76 76 ASN N N 76 120.363 120.363 124.581 -4.218 25564 12484 1 23 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.032 0.161 25564 12485 1 23 . 1 1 76 76 ASN C C 76 174.903 174.903 174.129 0.774 25564 12486 1 23 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.788 0.051 25564 12487 1 23 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.489 0.850 25564 12488 1 23 . 1 1 76 76 ASN H H 76 9.014 9.014 8.718 0.296 25564 12489 1 23 . 1 1 77 77 ILE N N 77 127.376 127.376 129.348 -1.972 25564 12490 1 23 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.402 0.246 25564 12491 1 23 . 1 1 77 77 ILE C C 77 173.510 173.510 174.949 -1.439 25564 12492 1 23 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.166 0.190 25564 12493 1 23 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.333 2.578 25564 12494 1 23 . 1 1 77 77 ILE H H 77 9.466 9.466 9.137 0.329 25564 12495 1 23 . 1 1 78 78 THR N N 78 124.282 124.282 126.599 -2.317 25564 12496 1 23 . 1 1 78 78 THR HA H 78 5.117 5.117 5.396 -0.279 25564 12497 1 23 . 1 1 78 78 THR C C 78 173.140 173.140 173.720 -0.580 25564 12498 1 23 . 1 1 78 78 THR CA C 78 61.961 61.961 61.263 0.698 25564 12499 1 23 . 1 1 78 78 THR CB C 78 70.244 70.244 69.615 0.629 25564 12500 1 23 . 1 1 78 78 THR H H 78 9.535 9.535 8.912 0.623 25564 12501 1 23 . 1 1 79 79 ILE N N 79 125.033 125.033 125.935 -0.902 25564 12502 1 23 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.185 0.406 25564 12503 1 23 . 1 1 79 79 ILE C C 79 173.827 173.827 174.807 -0.980 25564 12504 1 23 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.449 2.299 25564 12505 1 23 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.506 2.764 25564 12506 1 23 . 1 1 79 79 ILE H H 79 8.974 8.974 8.269 0.705 25564 12507 1 23 . 1 1 80 80 TYR N N 80 122.647 122.647 124.175 -1.528 25564 12508 1 23 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.559 -0.040 25564 12509 1 23 . 1 1 80 80 TYR C C 80 177.072 177.072 173.786 3.286 25564 12510 1 23 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.951 0.450 25564 12511 1 23 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.002 0.898 25564 12512 1 23 . 1 1 80 80 TYR H H 80 9.137 9.137 8.854 0.283 25564 12513 1 23 . 1 1 81 81 ALA N N 81 124.412 124.412 127.491 -3.079 25564 12514 1 23 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.487 1.266 25564 12515 1 23 . 1 1 81 81 ALA C C 81 175.811 175.811 174.861 0.950 25564 12516 1 23 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.606 1.051 25564 12517 1 23 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.725 1.591 25564 12518 1 23 . 1 1 81 81 ALA H H 81 8.764 8.764 8.814 -0.050 25564 12519 1 23 . 1 1 82 82 VAL N N 82 120.278 120.278 124.226 -3.948 25564 12520 1 23 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.667 -0.054 25564 12521 1 23 . 1 1 82 82 VAL C C 82 174.662 174.662 174.163 0.499 25564 12522 1 23 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.492 1.688 25564 12523 1 23 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.373 -0.702 25564 12524 1 23 . 1 1 82 82 VAL H H 82 8.276 8.276 8.617 -0.341 25564 12525 1 23 . 1 1 83 83 GLU N N 83 127.125 127.125 127.772 -0.647 25564 12526 1 23 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.636 -0.099 25564 12527 1 23 . 1 1 83 83 GLU C C 83 175.133 175.133 176.119 -0.986 25564 12528 1 23 . 1 1 83 83 GLU CA C 83 56.000 56.000 55.076 0.924 25564 12529 1 23 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.014 0.702 25564 12530 1 23 . 1 1 83 83 GLU H H 83 8.849 8.849 8.878 -0.029 25564 12531 1 23 . 1 1 84 84 GLU N N 84 125.009 125.009 120.732 4.277 25564 12532 1 23 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.982 -0.300 25564 12533 1 23 . 1 1 84 84 GLU C C 84 174.988 174.988 176.985 -1.997 25564 12534 1 23 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.575 -0.214 25564 12535 1 23 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.652 -1.930 25564 12536 1 23 . 1 1 84 84 GLU H H 84 8.952 8.952 8.965 -0.013 25564 12537 1 23 . 1 1 85 85 ASN N N 85 119.010 119.010 113.809 5.201 25564 12538 1 23 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.738 -0.032 25564 12539 1 23 . 1 1 85 85 ASN C C 85 174.499 174.499 174.256 0.243 25564 12540 1 23 . 1 1 85 85 ASN CA C 85 53.953 53.953 54.248 -0.295 25564 12541 1 23 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.824 -0.794 25564 12542 1 23 . 1 1 85 85 ASN H H 85 8.412 8.412 8.324 0.088 25564 12543 1 23 . 1 1 86 86 GLN N N 86 119.080 119.080 117.912 1.168 25564 12544 1 23 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.661 -0.057 25564 12545 1 23 . 1 1 86 86 GLN C C 86 174.270 174.270 173.815 0.455 25564 12546 1 23 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.697 0.595 25564 12547 1 23 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.715 -0.704 25564 12548 1 23 . 1 1 86 86 GLN H H 86 8.086 8.086 7.686 0.400 25564 12549 1 23 . 1 1 87 87 GLU N N 87 120.589 120.589 119.356 1.233 25564 12550 1 23 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.927 0.287 25564 12551 1 23 . 1 1 87 87 GLU C C 87 176.092 176.092 175.882 0.210 25564 12552 1 23 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.340 -0.618 25564 12553 1 23 . 1 1 87 87 GLU CB C 87 33.715 33.715 33.112 0.603 25564 12554 1 23 . 1 1 87 87 GLU H H 87 8.498 8.498 8.576 -0.078 25564 12555 1 23 . 1 1 88 88 SER N N 88 116.013 116.013 120.234 -4.221 25564 12556 1 23 . 1 1 88 88 SER HA H 88 4.547 4.547 4.514 0.033 25564 12557 1 23 . 1 1 88 88 SER C C 88 175.202 175.202 175.131 0.071 25564 12558 1 23 . 1 1 88 88 SER CA C 88 58.211 58.211 58.825 -0.614 25564 12559 1 23 . 1 1 88 88 SER CB C 88 66.959 66.959 64.302 2.656 25564 12560 1 23 . 1 1 88 88 SER H H 88 8.954 8.954 8.838 0.116 25564 12561 1 23 . 1 1 89 89 THR N N 89 114.798 114.798 114.165 0.633 25564 12562 1 23 . 1 1 89 89 THR HA H 89 4.520 4.520 4.412 0.108 25564 12563 1 23 . 1 1 89 89 THR C C 89 173.754 173.754 173.097 0.657 25564 12564 1 23 . 1 1 89 89 THR CA C 89 61.673 61.673 61.006 0.667 25564 12565 1 23 . 1 1 89 89 THR CB C 89 69.286 69.286 68.314 0.972 25564 12566 1 23 . 1 1 89 89 THR H H 89 8.559 8.559 8.347 0.212 25564 12567 1 23 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.572 -0.417 25564 12568 1 23 . 1 1 90 90 PRO C C 90 177.970 177.970 176.321 1.649 25564 12569 1 23 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.785 0.940 25564 12570 1 23 . 1 1 90 90 PRO CB C 90 32.403 32.403 33.020 -0.617 25564 12571 1 23 . 1 1 91 91 VAL N N 91 120.679 120.679 123.716 -3.037 25564 12572 1 23 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.941 0.336 25564 12573 1 23 . 1 1 91 91 VAL C C 91 173.958 173.958 174.761 -0.803 25564 12574 1 23 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.522 -0.924 25564 12575 1 23 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.960 0.987 25564 12576 1 23 . 1 1 91 91 VAL H H 91 8.189 8.189 8.435 -0.246 25564 12577 1 23 . 1 1 92 92 VAL N N 92 125.593 125.593 127.326 -1.733 25564 12578 1 23 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.617 0.390 25564 12579 1 23 . 1 1 92 92 VAL C C 92 176.045 176.045 175.333 0.712 25564 12580 1 23 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.242 0.119 25564 12581 1 23 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.430 1.704 25564 12582 1 23 . 1 1 92 92 VAL H H 92 8.300 8.300 8.479 -0.179 25564 12583 1 23 . 1 1 93 93 ILE N N 93 127.733 127.733 124.390 3.343 25564 12584 1 23 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.713 -0.297 25564 12585 1 23 . 1 1 93 93 ILE C C 93 174.071 174.071 174.318 -0.247 25564 12586 1 23 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.773 0.065 25564 12587 1 23 . 1 1 93 93 ILE CB C 93 42.232 42.232 40.083 2.149 25564 12588 1 23 . 1 1 93 93 ILE H H 93 9.471 9.471 8.951 0.520 25564 12589 1 23 . 1 1 94 94 GLN N N 94 123.610 123.610 126.791 -3.181 25564 12590 1 23 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.236 0.305 25564 12591 1 23 . 1 1 94 94 GLN C C 94 175.328 175.328 175.239 0.089 25564 12592 1 23 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.498 0.084 25564 12593 1 23 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.468 1.561 25564 12594 1 23 . 1 1 94 94 GLN H H 94 8.522 8.522 8.608 -0.086 25564 12595 1 23 . 1 1 95 95 GLN N N 95 123.044 123.044 123.278 -0.234 25564 12596 1 23 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.625 -0.115 25564 12597 1 23 . 1 1 95 95 GLN C C 95 173.530 173.530 174.382 -0.852 25564 12598 1 23 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.721 0.201 25564 12599 1 23 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.939 -0.416 25564 12600 1 23 . 1 1 95 95 GLN H H 95 8.893 8.893 8.929 -0.036 25564 12601 1 23 . 1 1 96 96 GLU N N 96 128.881 128.881 125.721 3.160 25564 12602 1 23 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.816 0.927 25564 12603 1 23 . 1 1 96 96 GLU C C 96 178.926 178.926 176.450 2.476 25564 12604 1 23 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.202 -0.383 25564 12605 1 23 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.759 0.766 25564 12606 1 23 . 1 1 96 96 GLU H H 96 8.913 8.913 8.685 0.228 25564 12607 1 23 . 1 1 97 97 THR N N 97 116.022 116.022 120.442 -4.420 25564 12608 1 23 . 1 1 97 97 THR HA H 97 4.344 4.344 4.420 -0.076 25564 12609 1 23 . 1 1 97 97 THR C C 97 176.660 176.660 176.212 0.448 25564 12610 1 23 . 1 1 97 97 THR CA C 97 61.453 61.453 62.564 -1.111 25564 12611 1 23 . 1 1 97 97 THR CB C 97 69.742 69.742 69.389 0.353 25564 12612 1 23 . 1 1 97 97 THR H H 97 8.740 8.740 8.770 -0.030 25564 12613 1 23 . 1 1 98 98 THR N N 98 110.068 110.068 121.320 -11.252 25564 12614 1 23 . 1 1 98 98 THR HA H 98 4.270 4.270 4.125 0.145 25564 12615 1 23 . 1 1 98 98 THR C C 98 173.859 173.859 175.144 -1.285 25564 12616 1 23 . 1 1 98 98 THR CA C 98 62.659 62.659 64.039 -1.380 25564 12617 1 23 . 1 1 98 98 THR CB C 98 69.654 69.654 69.087 0.567 25564 12618 1 23 . 1 1 98 98 THR H H 98 7.287 7.287 8.451 -1.164 25564 12619 1 23 . 1 1 99 99 GLY N N 99 103.540 103.540 109.650 -6.110 25564 12620 1 23 . 1 1 99 99 GLY C C 99 174.225 174.225 173.034 1.191 25564 12621 1 23 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.416 0.540 25564 12622 1 23 . 1 1 99 99 GLY H H 99 8.033 8.033 7.176 0.857 25564 12623 1 23 . 1 1 100 100 THR N N 100 114.887 114.887 116.732 -1.845 25564 12624 1 23 . 1 1 100 100 THR HA H 100 4.623 4.623 4.447 0.176 25564 12625 1 23 . 1 1 100 100 THR C C 100 172.336 172.336 173.465 -1.129 25564 12626 1 23 . 1 1 100 100 THR CA C 100 59.775 59.775 61.768 -1.993 25564 12627 1 23 . 1 1 100 100 THR CB C 100 70.644 70.644 69.025 1.619 25564 12628 1 23 . 1 1 100 100 THR H H 100 8.055 8.055 8.138 -0.083 25564 12629 1 23 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.424 0.075 25564 12630 1 23 . 1 1 101 101 PRO C C 101 177.344 177.344 175.681 1.663 25564 12631 1 23 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.336 -0.228 25564 12632 1 23 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.593 0.693 25564 12633 1 23 . 1 1 102 102 ARG N N 102 122.476 122.476 124.424 -1.948 25564 12634 1 23 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.914 -0.600 25564 12635 1 23 . 1 1 102 102 ARG C C 102 176.790 176.790 174.626 2.164 25564 12636 1 23 . 1 1 102 102 ARG CA C 102 56.404 56.404 54.796 1.608 25564 12637 1 23 . 1 1 102 102 ARG CB C 102 31.265 31.265 32.685 -1.420 25564 12638 1 23 . 1 1 102 102 ARG H H 102 8.771 8.771 8.156 0.615 25564 12639 1 23 . 1 1 103 103 SER HA H 103 4.523 4.523 4.763 -0.240 25564 12640 1 23 . 1 1 103 103 SER CA C 103 58.311 58.311 58.111 0.200 25564 12641 1 23 . 1 1 103 103 SER CB C 103 64.168 64.168 64.702 -0.534 25564 12642 1 23 . 1 1 104 104 ASP N N 104 122.461 122.461 124.489 -2.028 25564 12643 1 23 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.305 0.343 25564 12644 1 23 . 1 1 104 104 ASP CA C 104 54.566 54.566 56.153 -1.587 25564 12645 1 23 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.431 0.952 25564 12646 1 23 . 1 1 104 104 ASP H H 104 8.418 8.418 8.759 -0.341 25564 12647 1 23 . 1 1 105 105 GLY N N 105 109.250 109.250 107.919 1.331 25564 12648 1 23 . 1 1 105 105 GLY C C 105 173.987 173.987 172.739 1.248 25564 12649 1 23 . 1 1 105 105 GLY CA C 105 45.773 45.773 44.931 0.842 25564 12650 1 23 . 1 1 105 105 GLY H H 105 8.390 8.390 8.238 0.152 25564 12651 1 24 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.350 0.273 25564 12652 1 24 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.831 0.105 25564 12653 1 24 . 1 1 3 3 HIS CB C 3 31.271 31.271 27.762 3.509 25564 12654 1 24 . 1 1 7 7 THR HA H 7 4.470 4.470 4.316 0.154 25564 12655 1 24 . 1 1 7 7 THR CA C 7 61.923 61.923 64.259 -2.336 25564 12656 1 24 . 1 1 7 7 THR CB C 7 70.142 70.142 68.814 1.328 25564 12657 1 24 . 1 1 8 8 THR N N 8 116.706 116.706 114.499 2.207 25564 12658 1 24 . 1 1 8 8 THR HA H 8 4.371 4.371 4.259 0.112 25564 12659 1 24 . 1 1 8 8 THR C C 8 173.590 173.590 173.700 -0.110 25564 12660 1 24 . 1 1 8 8 THR CA C 8 61.606 61.606 62.687 -1.081 25564 12661 1 24 . 1 1 8 8 THR CB C 8 70.303 70.303 68.641 1.662 25564 12662 1 24 . 1 1 8 8 THR H H 8 8.238 8.238 8.067 0.171 25564 12663 1 24 . 1 1 9 9 ALA N N 9 127.030 127.030 125.464 1.566 25564 12664 1 24 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.797 -0.504 25564 12665 1 24 . 1 1 9 9 ALA C C 9 175.005 175.005 174.907 0.098 25564 12666 1 24 . 1 1 9 9 ALA CA C 9 50.813 50.813 48.955 1.858 25564 12667 1 24 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.735 -1.305 25564 12668 1 24 . 1 1 9 9 ALA H H 9 8.220 8.220 7.318 0.902 25564 12669 1 24 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.489 -0.160 25564 12670 1 24 . 1 1 10 10 PRO C C 10 175.138 175.138 175.554 -0.416 25564 12671 1 24 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.569 0.228 25564 12672 1 24 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.749 -0.912 25564 12673 1 24 . 1 1 11 11 ASP N N 11 116.244 116.244 121.035 -4.791 25564 12674 1 24 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.686 -0.276 25564 12675 1 24 . 1 1 11 11 ASP C C 11 174.009 174.009 176.023 -2.014 25564 12676 1 24 . 1 1 11 11 ASP CA C 11 53.383 53.383 54.239 -0.856 25564 12677 1 24 . 1 1 11 11 ASP CB C 11 39.829 39.829 42.375 -2.546 25564 12678 1 24 . 1 1 11 11 ASP H H 11 9.038 9.038 8.485 0.553 25564 12679 1 24 . 1 1 12 12 ALA N N 12 120.012 120.012 122.951 -2.939 25564 12680 1 24 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.698 -0.231 25564 12681 1 24 . 1 1 12 12 ALA C C 12 175.669 175.669 175.027 0.642 25564 12682 1 24 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.384 0.856 25564 12683 1 24 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.612 -0.702 25564 12684 1 24 . 1 1 12 12 ALA H H 12 7.944 7.944 8.329 -0.385 25564 12685 1 24 . 1 1 13 13 PRO HA H 13 4.489 4.489 5.005 -0.516 25564 12686 1 24 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.678 -0.353 25564 12687 1 24 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.405 0.424 25564 12688 1 24 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.373 0.113 25564 12689 1 24 . 1 1 14 14 PRO C C 14 175.966 175.966 176.585 -0.619 25564 12690 1 24 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.639 0.355 25564 12691 1 24 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.229 0.400 25564 12692 1 24 . 1 1 15 15 ASP N N 15 117.405 117.405 119.303 -1.898 25564 12693 1 24 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.426 0.133 25564 12694 1 24 . 1 1 15 15 ASP C C 15 173.011 173.011 174.657 -1.646 25564 12695 1 24 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.821 0.409 25564 12696 1 24 . 1 1 15 15 ASP CB C 15 41.322 41.322 39.940 1.382 25564 12697 1 24 . 1 1 15 15 ASP H H 15 8.470 8.470 8.431 0.039 25564 12698 1 24 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.731 0.621 25564 12699 1 24 . 1 1 16 16 PRO C C 16 177.534 177.534 176.349 1.185 25564 12700 1 24 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.005 0.598 25564 12701 1 24 . 1 1 16 16 PRO CB C 16 31.484 31.484 33.107 -1.623 25564 12702 1 24 . 1 1 17 17 THR N N 17 117.955 117.955 118.499 -0.544 25564 12703 1 24 . 1 1 17 17 THR HA H 17 4.563 4.563 4.574 -0.011 25564 12704 1 24 . 1 1 17 17 THR C C 17 172.578 172.578 174.361 -1.783 25564 12705 1 24 . 1 1 17 17 THR CA C 17 61.093 61.093 61.651 -0.558 25564 12706 1 24 . 1 1 17 17 THR CB C 17 72.478 72.478 70.549 1.929 25564 12707 1 24 . 1 1 17 17 THR H H 17 9.415 9.415 8.626 0.789 25564 12708 1 24 . 1 1 18 18 VAL N N 18 124.494 124.494 128.499 -4.005 25564 12709 1 24 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.178 0.194 25564 12710 1 24 . 1 1 18 18 VAL C C 18 175.392 175.392 175.637 -0.245 25564 12711 1 24 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.035 -0.185 25564 12712 1 24 . 1 1 18 18 VAL CB C 18 32.074 32.074 32.355 -0.281 25564 12713 1 24 . 1 1 18 18 VAL H H 18 8.645 8.645 8.769 -0.124 25564 12714 1 24 . 1 1 19 19 ASP N N 19 129.904 129.904 128.626 1.278 25564 12715 1 24 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.630 0.093 25564 12716 1 24 . 1 1 19 19 ASP C C 19 175.427 175.427 175.744 -0.317 25564 12717 1 24 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.268 -0.365 25564 12718 1 24 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.127 2.144 25564 12719 1 24 . 1 1 19 19 ASP H H 19 8.805 8.805 8.721 0.084 25564 12720 1 24 . 1 1 20 20 GLN N N 20 115.835 115.835 118.572 -2.737 25564 12721 1 24 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.648 -0.198 25564 12722 1 24 . 1 1 20 20 GLN C C 20 173.593 173.593 173.966 -0.373 25564 12723 1 24 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.790 1.155 25564 12724 1 24 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.677 -0.688 25564 12725 1 24 . 1 1 20 20 GLN H H 20 7.431 7.431 7.607 -0.176 25564 12726 1 24 . 1 1 21 21 VAL N N 21 122.956 122.956 123.692 -0.736 25564 12727 1 24 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.208 0.511 25564 12728 1 24 . 1 1 21 21 VAL C C 21 173.753 173.753 174.905 -1.152 25564 12729 1 24 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.816 -0.497 25564 12730 1 24 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.990 1.012 25564 12731 1 24 . 1 1 21 21 VAL H H 21 8.317 8.317 8.487 -0.170 25564 12732 1 24 . 1 1 22 22 ASP N N 22 129.722 129.722 127.027 2.695 25564 12733 1 24 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.000 -0.246 25564 12734 1 24 . 1 1 22 22 ASP C C 22 176.114 176.114 176.666 -0.552 25564 12735 1 24 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.565 1.074 25564 12736 1 24 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.003 -2.626 25564 12737 1 24 . 1 1 22 22 ASP H H 22 8.778 8.778 8.604 0.174 25564 12738 1 24 . 1 1 23 23 ASP N N 23 115.970 115.970 119.102 -3.132 25564 12739 1 24 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.432 0.202 25564 12740 1 24 . 1 1 23 23 ASP C C 23 175.820 175.820 175.983 -0.163 25564 12741 1 24 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.435 -1.108 25564 12742 1 24 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.919 -0.013 25564 12743 1 24 . 1 1 23 23 ASP H H 23 8.049 8.049 8.843 -0.794 25564 12744 1 24 . 1 1 24 24 THR N N 24 97.756 97.756 106.432 -8.676 25564 12745 1 24 . 1 1 24 24 THR HA H 24 4.566 4.566 4.459 0.107 25564 12746 1 24 . 1 1 24 24 THR C C 24 174.274 174.274 173.291 0.983 25564 12747 1 24 . 1 1 24 24 THR CA C 24 59.595 59.595 60.536 -0.941 25564 12748 1 24 . 1 1 24 24 THR CB C 24 71.670 71.670 69.168 2.502 25564 12749 1 24 . 1 1 24 24 THR H H 24 7.392 7.392 7.849 -0.457 25564 12750 1 24 . 1 1 25 25 SER N N 25 116.249 116.249 114.431 1.818 25564 12751 1 24 . 1 1 25 25 SER HA H 25 5.440 5.440 5.196 0.244 25564 12752 1 24 . 1 1 25 25 SER C C 25 171.891 171.891 172.234 -0.343 25564 12753 1 24 . 1 1 25 25 SER CA C 25 57.670 57.670 57.956 -0.286 25564 12754 1 24 . 1 1 25 25 SER CB C 25 67.439 67.439 65.764 1.675 25564 12755 1 24 . 1 1 25 25 SER H H 25 7.693 7.693 7.538 0.155 25564 12756 1 24 . 1 1 26 26 ILE N N 26 118.594 118.594 121.509 -2.915 25564 12757 1 24 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.819 -0.405 25564 12758 1 24 . 1 1 26 26 ILE C C 26 174.020 174.020 173.797 0.223 25564 12759 1 24 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.637 0.497 25564 12760 1 24 . 1 1 26 26 ILE CB C 26 45.088 45.088 43.204 1.884 25564 12761 1 24 . 1 1 26 26 ILE H H 26 8.141 8.141 8.599 -0.458 25564 12762 1 24 . 1 1 27 27 VAL N N 27 126.778 126.778 124.373 2.405 25564 12763 1 24 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.130 -0.157 25564 12764 1 24 . 1 1 27 27 VAL C C 27 175.692 175.692 174.697 0.995 25564 12765 1 24 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.379 1.070 25564 12766 1 24 . 1 1 27 27 VAL CB C 27 33.813 33.813 34.035 -0.222 25564 12767 1 24 . 1 1 27 27 VAL H H 27 8.642 8.642 8.876 -0.234 25564 12768 1 24 . 1 1 28 28 VAL N N 28 127.624 127.624 123.555 4.069 25564 12769 1 24 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.927 -0.067 25564 12770 1 24 . 1 1 28 28 VAL C C 28 173.467 173.467 173.646 -0.179 25564 12771 1 24 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.035 1.419 25564 12772 1 24 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.653 -0.701 25564 12773 1 24 . 1 1 28 28 VAL H H 28 8.656 8.656 8.972 -0.316 25564 12774 1 24 . 1 1 29 29 ARG N N 29 123.905 123.905 124.831 -0.926 25564 12775 1 24 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.917 -0.200 25564 12776 1 24 . 1 1 29 29 ARG C C 29 174.147 174.147 175.197 -1.050 25564 12777 1 24 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.535 0.331 25564 12778 1 24 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.812 1.379 25564 12779 1 24 . 1 1 29 29 ARG H H 29 9.075 9.075 8.427 0.648 25564 12780 1 24 . 1 1 30 30 TRP N N 30 116.284 116.284 123.590 -7.306 25564 12781 1 24 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.102 -0.256 25564 12782 1 24 . 1 1 30 30 TRP C C 30 174.778 174.778 175.229 -0.451 25564 12783 1 24 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.754 2.781 25564 12784 1 24 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.762 -0.464 25564 12785 1 24 . 1 1 30 30 TRP H H 30 7.512 7.512 7.975 -0.463 25564 12786 1 24 . 1 1 31 31 SER HA H 31 4.747 4.747 4.641 0.106 25564 12787 1 24 . 1 1 31 31 SER C C 31 172.773 172.773 174.500 -1.727 25564 12788 1 24 . 1 1 31 31 SER CA C 31 57.875 57.875 56.944 0.931 25564 12789 1 24 . 1 1 31 31 SER CB C 31 64.093 64.093 63.333 0.761 25564 12790 1 24 . 1 1 32 32 ARG N N 32 122.062 122.062 128.795 -6.733 25564 12791 1 24 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.711 0.168 25564 12792 1 24 . 1 1 32 32 ARG C C 32 175.788 175.788 174.911 0.877 25564 12793 1 24 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.889 -0.604 25564 12794 1 24 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.258 2.162 25564 12795 1 24 . 1 1 32 32 ARG H H 32 8.337 8.337 7.899 0.438 25564 12796 1 24 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.611 -0.135 25564 12797 1 24 . 1 1 33 33 PRO C C 33 175.739 175.739 177.079 -1.340 25564 12798 1 24 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.294 0.672 25564 12799 1 24 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.707 0.268 25564 12800 1 24 . 1 1 34 34 GLN N N 34 122.510 122.510 119.257 3.253 25564 12801 1 24 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.271 -0.117 25564 12802 1 24 . 1 1 34 34 GLN C C 34 177.396 177.396 175.883 1.513 25564 12803 1 24 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.344 1.159 25564 12804 1 24 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.779 0.867 25564 12805 1 24 . 1 1 34 34 GLN H H 34 10.310 10.310 8.536 1.774 25564 12806 1 24 . 1 1 35 35 ALA N N 35 123.797 123.797 122.820 0.977 25564 12807 1 24 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.396 0.082 25564 12808 1 24 . 1 1 35 35 ALA C C 35 174.959 174.959 175.439 -0.480 25564 12809 1 24 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.752 0.115 25564 12810 1 24 . 1 1 35 35 ALA CB C 35 19.170 19.170 19.003 0.167 25564 12811 1 24 . 1 1 35 35 ALA H H 35 8.725 8.725 7.769 0.956 25564 12812 1 24 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.510 0.073 25564 12813 1 24 . 1 1 36 36 PRO C C 36 175.555 175.555 175.652 -0.097 25564 12814 1 24 . 1 1 36 36 PRO CA C 36 63.002 63.002 62.977 0.025 25564 12815 1 24 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.410 -1.435 25564 12816 1 24 . 1 1 37 37 ILE N N 37 114.656 114.656 119.076 -4.420 25564 12817 1 24 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.611 -0.211 25564 12818 1 24 . 1 1 37 37 ILE C C 37 176.204 176.204 175.553 0.651 25564 12819 1 24 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.285 1.826 25564 12820 1 24 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.308 1.334 25564 12821 1 24 . 1 1 37 37 ILE H H 37 7.946 7.946 7.907 0.039 25564 12822 1 24 . 1 1 38 38 THR N N 38 109.332 109.332 114.659 -5.327 25564 12823 1 24 . 1 1 38 38 THR HA H 38 4.576 4.576 4.525 0.051 25564 12824 1 24 . 1 1 38 38 THR C C 38 175.325 175.325 175.450 -0.125 25564 12825 1 24 . 1 1 38 38 THR CA C 38 61.858 61.858 62.523 -0.665 25564 12826 1 24 . 1 1 38 38 THR CB C 38 69.971 69.971 70.198 -0.227 25564 12827 1 24 . 1 1 38 38 THR H H 38 9.767 9.767 8.971 0.796 25564 12828 1 24 . 1 1 39 39 GLY N N 39 109.326 109.326 109.513 -0.187 25564 12829 1 24 . 1 1 39 39 GLY C C 39 169.390 169.390 171.825 -2.435 25564 12830 1 24 . 1 1 39 39 GLY CA C 39 45.640 45.640 46.040 -0.400 25564 12831 1 24 . 1 1 39 39 GLY H H 39 7.641 7.641 7.950 -0.309 25564 12832 1 24 . 1 1 40 40 TYR N N 40 113.638 113.638 118.484 -4.846 25564 12833 1 24 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.724 -0.372 25564 12834 1 24 . 1 1 40 40 TYR C C 40 174.719 174.719 175.064 -0.345 25564 12835 1 24 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.499 0.490 25564 12836 1 24 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.858 0.461 25564 12837 1 24 . 1 1 40 40 TYR H H 40 8.470 8.470 8.738 -0.268 25564 12838 1 24 . 1 1 41 41 ARG N N 41 125.140 125.140 122.078 3.062 25564 12839 1 24 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.332 -0.050 25564 12840 1 24 . 1 1 41 41 ARG C C 41 173.714 173.714 175.075 -1.361 25564 12841 1 24 . 1 1 41 41 ARG CA C 41 55.769 55.769 53.930 1.839 25564 12842 1 24 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.524 2.177 25564 12843 1 24 . 1 1 41 41 ARG H H 41 9.148 9.148 8.923 0.225 25564 12844 1 24 . 1 1 42 42 ILE N N 42 126.999 126.999 122.099 4.900 25564 12845 1 24 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.107 0.235 25564 12846 1 24 . 1 1 42 42 ILE C C 42 174.706 174.706 175.100 -0.394 25564 12847 1 24 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.852 -2.069 25564 12848 1 24 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.604 -0.210 25564 12849 1 24 . 1 1 42 42 ILE H H 42 9.237 9.237 8.833 0.404 25564 12850 1 24 . 1 1 43 43 VAL N N 43 126.775 126.775 128.498 -1.723 25564 12851 1 24 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.819 0.529 25564 12852 1 24 . 1 1 43 43 VAL C C 43 175.795 175.795 175.440 0.355 25564 12853 1 24 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.946 -0.342 25564 12854 1 24 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.217 1.962 25564 12855 1 24 . 1 1 43 43 VAL H H 43 9.369 9.369 9.034 0.335 25564 12856 1 24 . 1 1 44 44 TYR N N 44 122.788 122.788 125.947 -3.159 25564 12857 1 24 . 1 1 44 44 TYR HA H 44 6.244 6.244 6.006 0.238 25564 12858 1 24 . 1 1 44 44 TYR C C 44 174.353 174.353 174.717 -0.364 25564 12859 1 24 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.243 1.167 25564 12860 1 24 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.858 3.492 25564 12861 1 24 . 1 1 44 44 TYR H H 44 9.253 9.253 8.788 0.465 25564 12862 1 24 . 1 1 45 45 SER N N 45 114.339 114.339 116.144 -1.805 25564 12863 1 24 . 1 1 45 45 SER HA H 45 5.208 5.208 5.055 0.153 25564 12864 1 24 . 1 1 45 45 SER C C 45 171.693 171.693 172.335 -0.642 25564 12865 1 24 . 1 1 45 45 SER CA C 45 55.870 55.870 54.982 0.888 25564 12866 1 24 . 1 1 45 45 SER CB C 45 65.646 65.646 65.503 0.143 25564 12867 1 24 . 1 1 45 45 SER H H 45 8.797 8.797 9.070 -0.273 25564 12868 1 24 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.682 -0.296 25564 12869 1 24 . 1 1 46 46 PRO C C 46 177.666 177.666 177.591 0.075 25564 12870 1 24 . 1 1 46 46 PRO CA C 46 62.692 62.692 61.734 0.958 25564 12871 1 24 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.949 0.068 25564 12872 1 24 . 1 1 47 47 SER N N 47 118.732 118.732 120.045 -1.313 25564 12873 1 24 . 1 1 47 47 SER HA H 47 4.069 4.069 4.242 -0.173 25564 12874 1 24 . 1 1 47 47 SER C C 47 175.055 175.055 175.286 -0.231 25564 12875 1 24 . 1 1 47 47 SER CA C 47 60.992 60.992 60.242 0.750 25564 12876 1 24 . 1 1 47 47 SER CB C 47 63.541 63.541 63.559 -0.018 25564 12877 1 24 . 1 1 47 47 SER H H 47 8.648 8.648 8.830 -0.182 25564 12878 1 24 . 1 1 48 48 VAL N N 48 117.213 117.213 113.046 4.167 25564 12879 1 24 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.500 -0.418 25564 12880 1 24 . 1 1 48 48 VAL C C 48 175.456 175.456 175.133 0.323 25564 12881 1 24 . 1 1 48 48 VAL CA C 48 62.987 62.987 61.637 1.350 25564 12882 1 24 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.294 0.575 25564 12883 1 24 . 1 1 48 48 VAL H H 48 7.640 7.640 7.771 -0.131 25564 12884 1 24 . 1 1 49 49 GLU N N 49 119.528 119.528 121.277 -1.749 25564 12885 1 24 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.547 -0.399 25564 12886 1 24 . 1 1 49 49 GLU C C 49 176.081 176.081 175.095 0.986 25564 12887 1 24 . 1 1 49 49 GLU CA C 49 57.174 57.174 55.043 2.131 25564 12888 1 24 . 1 1 49 49 GLU CB C 49 30.168 30.168 32.824 -2.656 25564 12889 1 24 . 1 1 49 49 GLU H H 49 8.150 8.150 7.191 0.960 25564 12890 1 24 . 1 1 50 50 GLY N N 50 108.013 108.013 107.164 0.849 25564 12891 1 24 . 1 1 50 50 GLY C C 50 173.617 173.617 173.963 -0.346 25564 12892 1 24 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.668 0.742 25564 12893 1 24 . 1 1 50 50 GLY H H 50 8.144 8.144 8.454 -0.310 25564 12894 1 24 . 1 1 51 51 SER N N 51 115.893 115.893 117.506 -1.613 25564 12895 1 24 . 1 1 51 51 SER HA H 51 4.604 4.604 4.684 -0.080 25564 12896 1 24 . 1 1 51 51 SER CA C 51 58.145 58.145 57.720 0.425 25564 12897 1 24 . 1 1 51 51 SER CB C 51 64.429 64.429 63.133 1.296 25564 12898 1 24 . 1 1 51 51 SER H H 51 8.248 8.248 8.239 0.009 25564 12899 1 24 . 1 1 52 52 SER HA H 52 4.795 4.795 5.532 -0.737 25564 12900 1 24 . 1 1 52 52 SER C C 52 173.840 173.840 173.591 0.249 25564 12901 1 24 . 1 1 52 52 SER CA C 52 58.319 58.319 56.675 1.644 25564 12902 1 24 . 1 1 52 52 SER CB C 52 65.231 65.231 66.270 -1.039 25564 12903 1 24 . 1 1 53 53 THR N N 53 121.052 121.052 116.924 4.128 25564 12904 1 24 . 1 1 53 53 THR HA H 53 4.294 4.294 4.403 -0.109 25564 12905 1 24 . 1 1 53 53 THR C C 53 171.241 171.241 171.766 -0.525 25564 12906 1 24 . 1 1 53 53 THR CA C 53 62.799 62.799 61.833 0.966 25564 12907 1 24 . 1 1 53 53 THR CB C 53 70.995 70.995 72.602 -1.607 25564 12908 1 24 . 1 1 53 53 THR H H 53 8.344 8.344 8.454 -0.110 25564 12909 1 24 . 1 1 54 54 GLU N N 54 125.190 125.190 124.993 0.197 25564 12910 1 24 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.508 0.105 25564 12911 1 24 . 1 1 54 54 GLU C C 54 175.175 175.175 175.471 -0.296 25564 12912 1 24 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.385 0.128 25564 12913 1 24 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.519 2.152 25564 12914 1 24 . 1 1 54 54 GLU H H 54 8.458 8.458 8.425 0.033 25564 12915 1 24 . 1 1 55 55 LEU N N 55 125.745 125.745 127.115 -1.370 25564 12916 1 24 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.703 0.152 25564 12917 1 24 . 1 1 55 55 LEU C C 55 175.121 175.121 175.317 -0.196 25564 12918 1 24 . 1 1 55 55 LEU CA C 55 54.006 54.006 54.040 -0.034 25564 12919 1 24 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.717 1.019 25564 12920 1 24 . 1 1 55 55 LEU H H 55 9.755 9.755 8.778 0.977 25564 12921 1 24 . 1 1 56 56 ASN N N 56 120.517 120.517 118.989 1.528 25564 12922 1 24 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.706 -0.142 25564 12923 1 24 . 1 1 56 56 ASN C C 56 174.180 174.180 174.531 -0.351 25564 12924 1 24 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.557 0.718 25564 12925 1 24 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.366 1.085 25564 12926 1 24 . 1 1 56 56 ASN H H 56 8.727 8.727 8.481 0.246 25564 12927 1 24 . 1 1 57 57 LEU N N 57 123.534 123.534 124.371 -0.837 25564 12928 1 24 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.101 0.034 25564 12929 1 24 . 1 1 57 57 LEU C C 57 174.960 174.960 174.810 0.150 25564 12930 1 24 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.839 0.286 25564 12931 1 24 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.539 0.269 25564 12932 1 24 . 1 1 57 57 LEU H H 57 9.075 9.075 8.738 0.337 25564 12933 1 24 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.596 0.459 25564 12934 1 24 . 1 1 58 58 PRO C C 58 176.897 176.897 178.437 -1.540 25564 12935 1 24 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.550 0.040 25564 12936 1 24 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.202 1.665 25564 12937 1 24 . 1 1 59 59 GLU N N 59 117.522 117.522 120.476 -2.954 25564 12938 1 24 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.115 -0.134 25564 12939 1 24 . 1 1 59 59 GLU C C 59 175.246 175.246 176.802 -1.556 25564 12940 1 24 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.942 -1.037 25564 12941 1 24 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.952 -0.028 25564 12942 1 24 . 1 1 59 59 GLU H H 59 8.905 8.905 8.877 0.028 25564 12943 1 24 . 1 1 60 60 THR N N 60 106.153 106.153 111.897 -5.744 25564 12944 1 24 . 1 1 60 60 THR HA H 60 4.155 4.155 4.410 -0.255 25564 12945 1 24 . 1 1 60 60 THR C C 60 175.087 175.087 173.443 1.644 25564 12946 1 24 . 1 1 60 60 THR CA C 60 61.646 61.646 60.605 1.041 25564 12947 1 24 . 1 1 60 60 THR CB C 60 69.638 69.638 68.149 1.489 25564 12948 1 24 . 1 1 60 60 THR H H 60 7.056 7.056 7.802 -0.746 25564 12949 1 24 . 1 1 61 61 ALA N N 61 125.590 125.590 123.900 1.690 25564 12950 1 24 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.223 0.127 25564 12951 1 24 . 1 1 61 61 ALA C C 61 176.988 176.988 175.779 1.209 25564 12952 1 24 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.282 1.188 25564 12953 1 24 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.999 1.225 25564 12954 1 24 . 1 1 61 61 ALA H H 61 7.808 7.808 8.436 -0.628 25564 12955 1 24 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.784 -0.121 25564 12956 1 24 . 1 1 62 62 ASN C C 62 171.666 171.666 172.732 -1.066 25564 12957 1 24 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.046 0.132 25564 12958 1 24 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.150 -0.474 25564 12959 1 24 . 1 1 63 63 SER N N 63 109.802 109.802 113.525 -3.723 25564 12960 1 24 . 1 1 63 63 SER HA H 63 4.341 4.341 4.472 -0.131 25564 12961 1 24 . 1 1 63 63 SER C C 63 172.378 172.378 172.446 -0.068 25564 12962 1 24 . 1 1 63 63 SER CA C 63 56.541 56.541 57.326 -0.785 25564 12963 1 24 . 1 1 63 63 SER CB C 63 65.498 65.498 65.001 0.497 25564 12964 1 24 . 1 1 63 63 SER H H 63 6.764 6.764 6.687 0.077 25564 12965 1 24 . 1 1 64 64 VAL N N 64 117.873 117.873 122.131 -4.258 25564 12966 1 24 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.478 -0.038 25564 12967 1 24 . 1 1 64 64 VAL C C 64 171.395 171.395 174.303 -2.908 25564 12968 1 24 . 1 1 64 64 VAL CA C 64 60.744 60.744 60.183 0.561 25564 12969 1 24 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.781 -0.690 25564 12970 1 24 . 1 1 64 64 VAL H H 64 8.793 8.793 8.772 0.021 25564 12971 1 24 . 1 1 65 65 THR N N 65 123.328 123.328 125.094 -1.766 25564 12972 1 24 . 1 1 65 65 THR HA H 65 4.703 4.703 4.563 0.140 25564 12973 1 24 . 1 1 65 65 THR C C 65 173.608 173.608 174.107 -0.499 25564 12974 1 24 . 1 1 65 65 THR CA C 65 62.094 62.094 62.335 -0.241 25564 12975 1 24 . 1 1 65 65 THR CB C 65 69.754 69.754 68.465 1.289 25564 12976 1 24 . 1 1 65 65 THR H H 65 8.377 8.377 8.507 -0.130 25564 12977 1 24 . 1 1 66 66 LEU N N 66 130.029 130.029 128.564 1.465 25564 12978 1 24 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.200 0.151 25564 12979 1 24 . 1 1 66 66 LEU C C 66 174.738 174.738 176.211 -1.473 25564 12980 1 24 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.608 -1.050 25564 12981 1 24 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.892 -0.686 25564 12982 1 24 . 1 1 66 66 LEU H H 66 9.232 9.232 8.543 0.689 25564 12983 1 24 . 1 1 67 67 SER N N 67 117.107 117.107 115.167 1.940 25564 12984 1 24 . 1 1 67 67 SER HA H 67 4.936 4.936 5.026 -0.090 25564 12985 1 24 . 1 1 67 67 SER C C 67 172.509 172.509 174.014 -1.505 25564 12986 1 24 . 1 1 67 67 SER CA C 67 57.340 57.340 56.723 0.617 25564 12987 1 24 . 1 1 67 67 SER CB C 67 66.115 66.115 66.030 0.085 25564 12988 1 24 . 1 1 67 67 SER H H 67 8.174 8.174 8.273 -0.099 25564 12989 1 24 . 1 1 68 68 ASP N N 68 116.924 116.924 119.052 -2.128 25564 12990 1 24 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.319 0.035 25564 12991 1 24 . 1 1 68 68 ASP C C 68 175.654 175.654 175.184 0.470 25564 12992 1 24 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.772 -0.170 25564 12993 1 24 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.656 0.058 25564 12994 1 24 . 1 1 68 68 ASP H H 68 9.003 9.003 8.275 0.728 25564 12995 1 24 . 1 1 69 69 LEU N N 69 116.713 116.713 117.177 -0.464 25564 12996 1 24 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.238 0.098 25564 12997 1 24 . 1 1 69 69 LEU C C 69 175.793 175.793 176.409 -0.616 25564 12998 1 24 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.884 -1.337 25564 12999 1 24 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.536 -1.502 25564 13000 1 24 . 1 1 69 69 LEU H H 69 8.605 8.605 7.276 1.329 25564 13001 1 24 . 1 1 70 70 GLN N N 70 118.301 118.301 117.912 0.389 25564 13002 1 24 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.885 -0.119 25564 13003 1 24 . 1 1 70 70 GLN C C 70 174.178 174.178 173.662 0.516 25564 13004 1 24 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.594 0.354 25564 13005 1 24 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.370 -0.744 25564 13006 1 24 . 1 1 70 70 GLN H H 70 8.288 8.288 8.416 -0.128 25564 13007 1 24 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.216 1.036 25564 13008 1 24 . 1 1 71 71 PRO C C 71 177.837 177.837 177.596 0.241 25564 13009 1 24 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.688 -0.590 25564 13010 1 24 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.622 1.771 25564 13011 1 24 . 1 1 72 72 GLY N N 72 111.077 111.077 111.791 -0.714 25564 13012 1 24 . 1 1 72 72 GLY C C 72 174.621 174.621 173.441 1.180 25564 13013 1 24 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.456 1.770 25564 13014 1 24 . 1 1 72 72 GLY H H 72 7.348 7.348 8.405 -1.057 25564 13015 1 24 . 1 1 73 73 VAL N N 73 120.434 120.434 118.736 1.698 25564 13016 1 24 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.357 -0.245 25564 13017 1 24 . 1 1 73 73 VAL C C 73 173.963 173.963 174.816 -0.853 25564 13018 1 24 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.453 1.241 25564 13019 1 24 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.519 -0.096 25564 13020 1 24 . 1 1 73 73 VAL H H 73 7.670 7.670 8.464 -0.794 25564 13021 1 24 . 1 1 74 74 GLN N N 74 123.606 123.606 125.577 -1.971 25564 13022 1 24 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.517 -0.310 25564 13023 1 24 . 1 1 74 74 GLN C C 74 174.283 174.283 174.501 -0.218 25564 13024 1 24 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.347 1.158 25564 13025 1 24 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.126 1.349 25564 13026 1 24 . 1 1 74 74 GLN H H 74 8.263 8.263 8.687 -0.424 25564 13027 1 24 . 1 1 75 75 TYR N N 75 127.153 127.153 127.024 0.129 25564 13028 1 24 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.872 -0.132 25564 13029 1 24 . 1 1 75 75 TYR C C 75 174.412 174.412 174.657 -0.245 25564 13030 1 24 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.106 2.077 25564 13031 1 24 . 1 1 75 75 TYR CB C 75 40.881 40.881 41.045 -0.164 25564 13032 1 24 . 1 1 75 75 TYR H H 75 8.916 8.916 8.945 -0.029 25564 13033 1 24 . 1 1 76 76 ASN N N 76 120.363 120.363 123.660 -3.297 25564 13034 1 24 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.032 0.161 25564 13035 1 24 . 1 1 76 76 ASN C C 76 174.903 174.903 174.469 0.434 25564 13036 1 24 . 1 1 76 76 ASN CA C 76 52.839 52.839 52.918 -0.079 25564 13037 1 24 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.783 1.556 25564 13038 1 24 . 1 1 76 76 ASN H H 76 9.014 9.014 8.977 0.037 25564 13039 1 24 . 1 1 77 77 ILE N N 77 127.376 127.376 127.785 -0.409 25564 13040 1 24 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.370 0.278 25564 13041 1 24 . 1 1 77 77 ILE C C 77 173.510 173.510 175.179 -1.669 25564 13042 1 24 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.242 0.114 25564 13043 1 24 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.309 2.602 25564 13044 1 24 . 1 1 77 77 ILE H H 77 9.466 9.466 8.991 0.475 25564 13045 1 24 . 1 1 78 78 THR N N 78 124.282 124.282 126.343 -2.061 25564 13046 1 24 . 1 1 78 78 THR HA H 78 5.117 5.117 5.510 -0.393 25564 13047 1 24 . 1 1 78 78 THR C C 78 173.140 173.140 173.757 -0.617 25564 13048 1 24 . 1 1 78 78 THR CA C 78 61.961 61.961 60.946 1.015 25564 13049 1 24 . 1 1 78 78 THR CB C 78 70.244 70.244 69.471 0.773 25564 13050 1 24 . 1 1 78 78 THR H H 78 9.535 9.535 8.739 0.796 25564 13051 1 24 . 1 1 79 79 ILE N N 79 125.033 125.033 126.327 -1.294 25564 13052 1 24 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.169 0.422 25564 13053 1 24 . 1 1 79 79 ILE C C 79 173.827 173.827 174.738 -0.911 25564 13054 1 24 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.372 2.376 25564 13055 1 24 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.105 3.165 25564 13056 1 24 . 1 1 79 79 ILE H H 79 8.974 8.974 8.346 0.628 25564 13057 1 24 . 1 1 80 80 TYR N N 80 122.647 122.647 124.198 -1.551 25564 13058 1 24 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.616 -0.097 25564 13059 1 24 . 1 1 80 80 TYR C C 80 177.072 177.072 173.878 3.194 25564 13060 1 24 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.789 0.612 25564 13061 1 24 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.550 0.351 25564 13062 1 24 . 1 1 80 80 TYR H H 80 9.137 9.137 8.806 0.331 25564 13063 1 24 . 1 1 81 81 ALA N N 81 124.412 124.412 128.756 -4.344 25564 13064 1 24 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.315 1.438 25564 13065 1 24 . 1 1 81 81 ALA C C 81 175.811 175.811 175.360 0.451 25564 13066 1 24 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.984 0.673 25564 13067 1 24 . 1 1 81 81 ALA CB C 81 21.316 21.316 18.657 2.659 25564 13068 1 24 . 1 1 81 81 ALA H H 81 8.764 8.764 8.539 0.225 25564 13069 1 24 . 1 1 82 82 VAL N N 82 120.278 120.278 124.539 -4.261 25564 13070 1 24 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.319 0.294 25564 13071 1 24 . 1 1 82 82 VAL C C 82 174.662 174.662 174.391 0.271 25564 13072 1 24 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.953 0.226 25564 13073 1 24 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.164 -0.493 25564 13074 1 24 . 1 1 82 82 VAL H H 82 8.276 8.276 8.410 -0.134 25564 13075 1 24 . 1 1 83 83 GLU N N 83 127.125 127.125 127.105 0.020 25564 13076 1 24 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.730 -0.193 25564 13077 1 24 . 1 1 83 83 GLU C C 83 175.133 175.133 177.368 -2.235 25564 13078 1 24 . 1 1 83 83 GLU CA C 83 56.000 56.000 53.823 2.177 25564 13079 1 24 . 1 1 83 83 GLU CB C 83 31.716 31.716 32.092 -0.376 25564 13080 1 24 . 1 1 83 83 GLU H H 83 8.849 8.849 8.738 0.111 25564 13081 1 24 . 1 1 84 84 GLU N N 84 125.009 125.009 122.664 2.345 25564 13082 1 24 . 1 1 84 84 GLU HA H 84 3.682 3.682 4.041 -0.359 25564 13083 1 24 . 1 1 84 84 GLU C C 84 174.988 174.988 177.061 -2.073 25564 13084 1 24 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.367 -0.005 25564 13085 1 24 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.991 -2.269 25564 13086 1 24 . 1 1 84 84 GLU H H 84 8.952 8.952 8.980 -0.028 25564 13087 1 24 . 1 1 85 85 ASN N N 85 119.010 119.010 113.587 5.423 25564 13088 1 24 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.822 -0.116 25564 13089 1 24 . 1 1 85 85 ASN C C 85 174.499 174.499 174.217 0.282 25564 13090 1 24 . 1 1 85 85 ASN CA C 85 53.953 53.953 52.962 0.992 25564 13091 1 24 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.673 -0.643 25564 13092 1 24 . 1 1 85 85 ASN H H 85 8.412 8.412 8.701 -0.289 25564 13093 1 24 . 1 1 86 86 GLN N N 86 119.080 119.080 118.528 0.552 25564 13094 1 24 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.581 0.023 25564 13095 1 24 . 1 1 86 86 GLN C C 86 174.270 174.270 173.908 0.362 25564 13096 1 24 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.847 0.445 25564 13097 1 24 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.989 -0.978 25564 13098 1 24 . 1 1 86 86 GLN H H 86 8.086 8.086 7.308 0.778 25564 13099 1 24 . 1 1 87 87 GLU N N 87 120.589 120.589 120.047 0.542 25564 13100 1 24 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.827 0.387 25564 13101 1 24 . 1 1 87 87 GLU C C 87 176.092 176.092 175.771 0.321 25564 13102 1 24 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.684 -0.962 25564 13103 1 24 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.815 0.900 25564 13104 1 24 . 1 1 87 87 GLU H H 87 8.498 8.498 8.630 -0.132 25564 13105 1 24 . 1 1 88 88 SER N N 88 116.013 116.013 122.015 -6.002 25564 13106 1 24 . 1 1 88 88 SER HA H 88 4.547 4.547 4.554 -0.007 25564 13107 1 24 . 1 1 88 88 SER C C 88 175.202 175.202 175.320 -0.118 25564 13108 1 24 . 1 1 88 88 SER CA C 88 58.211 58.211 59.237 -1.026 25564 13109 1 24 . 1 1 88 88 SER CB C 88 66.959 66.959 64.058 2.901 25564 13110 1 24 . 1 1 88 88 SER H H 88 8.954 8.954 8.700 0.254 25564 13111 1 24 . 1 1 89 89 THR N N 89 114.798 114.798 114.716 0.082 25564 13112 1 24 . 1 1 89 89 THR HA H 89 4.520 4.520 4.289 0.231 25564 13113 1 24 . 1 1 89 89 THR C C 89 173.754 173.754 173.194 0.560 25564 13114 1 24 . 1 1 89 89 THR CA C 89 61.673 61.673 61.389 0.284 25564 13115 1 24 . 1 1 89 89 THR CB C 89 69.286 69.286 68.752 0.534 25564 13116 1 24 . 1 1 89 89 THR H H 89 8.559 8.559 8.367 0.192 25564 13117 1 24 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.382 -0.227 25564 13118 1 24 . 1 1 90 90 PRO C C 90 177.970 177.970 176.275 1.695 25564 13119 1 24 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.753 0.972 25564 13120 1 24 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.715 -0.312 25564 13121 1 24 . 1 1 91 91 VAL N N 91 120.679 120.679 123.743 -3.064 25564 13122 1 24 . 1 1 91 91 VAL HA H 91 4.277 4.277 4.003 0.274 25564 13123 1 24 . 1 1 91 91 VAL C C 91 173.958 173.958 174.792 -0.834 25564 13124 1 24 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.901 -0.303 25564 13125 1 24 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.107 1.840 25564 13126 1 24 . 1 1 91 91 VAL H H 91 8.189 8.189 8.424 -0.235 25564 13127 1 24 . 1 1 92 92 VAL N N 92 125.593 125.593 128.187 -2.594 25564 13128 1 24 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.691 0.316 25564 13129 1 24 . 1 1 92 92 VAL C C 92 176.045 176.045 175.479 0.566 25564 13130 1 24 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.073 0.288 25564 13131 1 24 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.209 1.925 25564 13132 1 24 . 1 1 92 92 VAL H H 92 8.300 8.300 8.418 -0.118 25564 13133 1 24 . 1 1 93 93 ILE N N 93 127.733 127.733 125.485 2.248 25564 13134 1 24 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.614 -0.198 25564 13135 1 24 . 1 1 93 93 ILE C C 93 174.071 174.071 174.676 -0.605 25564 13136 1 24 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.821 0.017 25564 13137 1 24 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.359 2.873 25564 13138 1 24 . 1 1 93 93 ILE H H 93 9.471 9.471 9.003 0.468 25564 13139 1 24 . 1 1 94 94 GLN N N 94 123.610 123.610 127.308 -3.698 25564 13140 1 24 . 1 1 94 94 GLN HA H 94 5.541 5.541 4.936 0.605 25564 13141 1 24 . 1 1 94 94 GLN C C 94 175.328 175.328 175.095 0.233 25564 13142 1 24 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.023 0.559 25564 13143 1 24 . 1 1 94 94 GLN CB C 94 32.029 32.029 28.978 3.051 25564 13144 1 24 . 1 1 94 94 GLN H H 94 8.522 8.522 8.678 -0.156 25564 13145 1 24 . 1 1 95 95 GLN N N 95 123.044 123.044 124.540 -1.496 25564 13146 1 24 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.653 -0.143 25564 13147 1 24 . 1 1 95 95 GLN C C 95 173.530 173.530 174.484 -0.954 25564 13148 1 24 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.235 0.687 25564 13149 1 24 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.270 0.253 25564 13150 1 24 . 1 1 95 95 GLN H H 95 8.893 8.893 8.907 -0.014 25564 13151 1 24 . 1 1 96 96 GLU N N 96 128.881 128.881 125.997 2.884 25564 13152 1 24 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.722 1.021 25564 13153 1 24 . 1 1 96 96 GLU C C 96 178.926 178.926 176.425 2.501 25564 13154 1 24 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.044 -0.225 25564 13155 1 24 . 1 1 96 96 GLU CB C 96 31.525 31.525 31.008 0.517 25564 13156 1 24 . 1 1 96 96 GLU H H 96 8.913 8.913 8.736 0.177 25564 13157 1 24 . 1 1 97 97 THR N N 97 116.022 116.022 120.010 -3.988 25564 13158 1 24 . 1 1 97 97 THR HA H 97 4.344 4.344 4.415 -0.071 25564 13159 1 24 . 1 1 97 97 THR C C 97 176.660 176.660 175.965 0.695 25564 13160 1 24 . 1 1 97 97 THR CA C 97 61.453 61.453 62.545 -1.092 25564 13161 1 24 . 1 1 97 97 THR CB C 97 69.742 69.742 69.512 0.230 25564 13162 1 24 . 1 1 97 97 THR H H 97 8.740 8.740 8.788 -0.048 25564 13163 1 24 . 1 1 98 98 THR N N 98 110.068 110.068 121.336 -11.268 25564 13164 1 24 . 1 1 98 98 THR HA H 98 4.270 4.270 4.087 0.183 25564 13165 1 24 . 1 1 98 98 THR C C 98 173.859 173.859 175.681 -1.822 25564 13166 1 24 . 1 1 98 98 THR CA C 98 62.659 62.659 65.182 -2.523 25564 13167 1 24 . 1 1 98 98 THR CB C 98 69.654 69.654 68.951 0.703 25564 13168 1 24 . 1 1 98 98 THR H H 98 7.287 7.287 8.791 -1.504 25564 13169 1 24 . 1 1 99 99 GLY N N 99 103.540 103.540 109.984 -6.444 25564 13170 1 24 . 1 1 99 99 GLY C C 99 174.225 174.225 173.380 0.845 25564 13171 1 24 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.394 -0.439 25564 13172 1 24 . 1 1 99 99 GLY H H 99 8.033 8.033 7.496 0.537 25564 13173 1 24 . 1 1 100 100 THR N N 100 114.887 114.887 119.684 -4.797 25564 13174 1 24 . 1 1 100 100 THR HA H 100 4.623 4.623 4.652 -0.029 25564 13175 1 24 . 1 1 100 100 THR C C 100 172.336 172.336 173.472 -1.136 25564 13176 1 24 . 1 1 100 100 THR CA C 100 59.775 59.775 59.666 0.109 25564 13177 1 24 . 1 1 100 100 THR CB C 100 70.644 70.644 69.188 1.456 25564 13178 1 24 . 1 1 100 100 THR H H 100 8.055 8.055 8.055 0.000 25564 13179 1 24 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.406 0.093 25564 13180 1 24 . 1 1 101 101 PRO C C 101 177.344 177.344 175.722 1.622 25564 13181 1 24 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.616 -0.508 25564 13182 1 24 . 1 1 101 101 PRO CB C 101 32.286 32.286 29.926 2.360 25564 13183 1 24 . 1 1 102 102 ARG N N 102 122.476 122.476 117.994 4.482 25564 13184 1 24 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.444 -0.130 25564 13185 1 24 . 1 1 102 102 ARG C C 102 176.790 176.790 176.878 -0.088 25564 13186 1 24 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.225 0.179 25564 13187 1 24 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.066 1.199 25564 13188 1 24 . 1 1 102 102 ARG H H 102 8.771 8.771 8.577 0.194 25564 13189 1 24 . 1 1 103 103 SER HA H 103 4.523 4.523 4.290 0.233 25564 13190 1 24 . 1 1 103 103 SER CA C 103 58.311 58.311 60.587 -2.276 25564 13191 1 24 . 1 1 103 103 SER CB C 103 64.168 64.168 63.056 1.112 25564 13192 1 24 . 1 1 104 104 ASP N N 104 122.461 122.461 121.020 1.441 25564 13193 1 24 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.751 -0.103 25564 13194 1 24 . 1 1 104 104 ASP CA C 104 54.566 54.566 53.757 0.809 25564 13195 1 24 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.386 0.997 25564 13196 1 24 . 1 1 104 104 ASP H H 104 8.418 8.418 8.171 0.247 25564 13197 1 24 . 1 1 105 105 GLY N N 105 109.250 109.250 110.443 -1.193 25564 13198 1 24 . 1 1 105 105 GLY C C 105 173.987 173.987 174.547 -0.560 25564 13199 1 24 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.197 0.576 25564 13200 1 24 . 1 1 105 105 GLY H H 105 8.390 8.390 7.800 0.590 25564 13201 1 25 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.618 0.005 25564 13202 1 25 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.669 0.267 25564 13203 1 25 . 1 1 3 3 HIS CB C 3 31.271 31.271 30.320 0.951 25564 13204 1 25 . 1 1 7 7 THR HA H 7 4.470 4.470 3.960 0.510 25564 13205 1 25 . 1 1 7 7 THR CA C 7 61.923 61.923 62.905 -0.982 25564 13206 1 25 . 1 1 7 7 THR CB C 7 70.142 70.142 67.609 2.533 25564 13207 1 25 . 1 1 8 8 THR N N 8 116.706 116.706 113.424 3.282 25564 13208 1 25 . 1 1 8 8 THR HA H 8 4.371 4.371 4.025 0.346 25564 13209 1 25 . 1 1 8 8 THR C C 8 173.590 173.590 173.028 0.562 25564 13210 1 25 . 1 1 8 8 THR CA C 8 61.606 61.606 63.547 -1.941 25564 13211 1 25 . 1 1 8 8 THR CB C 8 70.303 70.303 69.254 1.049 25564 13212 1 25 . 1 1 8 8 THR H H 8 8.238 8.238 7.725 0.513 25564 13213 1 25 . 1 1 9 9 ALA N N 9 127.030 127.030 127.376 -0.346 25564 13214 1 25 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.691 -0.398 25564 13215 1 25 . 1 1 9 9 ALA C C 9 175.005 175.005 175.441 -0.436 25564 13216 1 25 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.693 1.120 25564 13217 1 25 . 1 1 9 9 ALA CB C 9 18.430 18.430 20.285 -1.855 25564 13218 1 25 . 1 1 9 9 ALA H H 9 8.220 8.220 8.250 -0.030 25564 13219 1 25 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.552 -0.223 25564 13220 1 25 . 1 1 10 10 PRO C C 10 175.138 175.138 175.416 -0.278 25564 13221 1 25 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.355 0.442 25564 13222 1 25 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.454 -0.617 25564 13223 1 25 . 1 1 11 11 ASP N N 11 116.244 116.244 118.330 -2.086 25564 13224 1 25 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.776 -0.366 25564 13225 1 25 . 1 1 11 11 ASP C C 11 174.009 174.009 175.056 -1.047 25564 13226 1 25 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.227 0.156 25564 13227 1 25 . 1 1 11 11 ASP CB C 11 39.829 39.829 44.321 -4.492 25564 13228 1 25 . 1 1 11 11 ASP H H 11 9.038 9.038 8.254 0.784 25564 13229 1 25 . 1 1 12 12 ALA N N 12 120.012 120.012 123.765 -3.753 25564 13230 1 25 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.615 -0.148 25564 13231 1 25 . 1 1 12 12 ALA C C 12 175.669 175.669 175.158 0.511 25564 13232 1 25 . 1 1 12 12 ALA CA C 12 50.240 50.240 50.160 0.080 25564 13233 1 25 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.578 -0.668 25564 13234 1 25 . 1 1 12 12 ALA H H 12 7.944 7.944 8.010 -0.066 25564 13235 1 25 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.927 -0.438 25564 13236 1 25 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.826 -0.501 25564 13237 1 25 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.403 0.426 25564 13238 1 25 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.322 0.164 25564 13239 1 25 . 1 1 14 14 PRO C C 14 175.966 175.966 176.268 -0.302 25564 13240 1 25 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.773 0.222 25564 13241 1 25 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.483 0.146 25564 13242 1 25 . 1 1 15 15 ASP N N 15 117.405 117.405 119.514 -2.109 25564 13243 1 25 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.363 0.195 25564 13244 1 25 . 1 1 15 15 ASP C C 15 173.011 173.011 174.833 -1.822 25564 13245 1 25 . 1 1 15 15 ASP CA C 15 54.230 54.230 53.636 0.594 25564 13246 1 25 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.020 1.302 25564 13247 1 25 . 1 1 15 15 ASP H H 15 8.470 8.470 8.477 -0.007 25564 13248 1 25 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.783 0.569 25564 13249 1 25 . 1 1 16 16 PRO C C 16 177.534 177.534 176.633 0.901 25564 13250 1 25 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.188 0.416 25564 13251 1 25 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.859 -1.375 25564 13252 1 25 . 1 1 17 17 THR N N 17 117.955 117.955 118.799 -0.844 25564 13253 1 25 . 1 1 17 17 THR HA H 17 4.563 4.563 4.553 0.010 25564 13254 1 25 . 1 1 17 17 THR C C 17 172.578 172.578 174.224 -1.646 25564 13255 1 25 . 1 1 17 17 THR CA C 17 61.093 61.093 61.482 -0.389 25564 13256 1 25 . 1 1 17 17 THR CB C 17 72.478 72.478 70.392 2.086 25564 13257 1 25 . 1 1 17 17 THR H H 17 9.415 9.415 8.712 0.703 25564 13258 1 25 . 1 1 18 18 VAL N N 18 124.494 124.494 128.577 -4.083 25564 13259 1 25 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.237 0.135 25564 13260 1 25 . 1 1 18 18 VAL C C 18 175.392 175.392 175.906 -0.514 25564 13261 1 25 . 1 1 18 18 VAL CA C 18 62.850 62.850 63.109 -0.259 25564 13262 1 25 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.922 0.153 25564 13263 1 25 . 1 1 18 18 VAL H H 18 8.645 8.645 8.770 -0.125 25564 13264 1 25 . 1 1 19 19 ASP N N 19 129.904 129.904 128.368 1.536 25564 13265 1 25 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.623 0.100 25564 13266 1 25 . 1 1 19 19 ASP C C 19 175.427 175.427 175.773 -0.346 25564 13267 1 25 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.398 -0.495 25564 13268 1 25 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.112 2.159 25564 13269 1 25 . 1 1 19 19 ASP H H 19 8.805 8.805 8.666 0.139 25564 13270 1 25 . 1 1 20 20 GLN N N 20 115.835 115.835 118.277 -2.442 25564 13271 1 25 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.610 -0.160 25564 13272 1 25 . 1 1 20 20 GLN C C 20 173.593 173.593 173.916 -0.323 25564 13273 1 25 . 1 1 20 20 GLN CA C 20 55.945 55.945 55.039 0.906 25564 13274 1 25 . 1 1 20 20 GLN CB C 20 31.989 31.989 33.041 -1.052 25564 13275 1 25 . 1 1 20 20 GLN H H 20 7.431 7.431 7.554 -0.123 25564 13276 1 25 . 1 1 21 21 VAL N N 21 122.956 122.956 123.445 -0.489 25564 13277 1 25 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.269 0.450 25564 13278 1 25 . 1 1 21 21 VAL C C 21 173.753 173.753 174.526 -0.773 25564 13279 1 25 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.773 -0.454 25564 13280 1 25 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.701 1.302 25564 13281 1 25 . 1 1 21 21 VAL H H 21 8.317 8.317 8.449 -0.132 25564 13282 1 25 . 1 1 22 22 ASP N N 22 129.722 129.722 125.793 3.929 25564 13283 1 25 . 1 1 22 22 ASP HA H 22 4.754 4.754 4.850 -0.096 25564 13284 1 25 . 1 1 22 22 ASP C C 22 176.114 176.114 175.359 0.755 25564 13285 1 25 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.662 0.977 25564 13286 1 25 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.710 -3.333 25564 13287 1 25 . 1 1 22 22 ASP H H 22 8.778 8.778 8.514 0.264 25564 13288 1 25 . 1 1 23 23 ASP N N 23 115.970 115.970 117.342 -1.372 25564 13289 1 25 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.548 0.086 25564 13290 1 25 . 1 1 23 23 ASP C C 23 175.820 175.820 176.555 -0.735 25564 13291 1 25 . 1 1 23 23 ASP CA C 23 56.327 56.327 56.819 -0.492 25564 13292 1 25 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.905 0.001 25564 13293 1 25 . 1 1 23 23 ASP H H 23 8.049 8.049 8.600 -0.551 25564 13294 1 25 . 1 1 24 24 THR N N 24 97.756 97.756 108.206 -10.450 25564 13295 1 25 . 1 1 24 24 THR HA H 24 4.566 4.566 4.455 0.111 25564 13296 1 25 . 1 1 24 24 THR C C 24 174.274 174.274 173.374 0.900 25564 13297 1 25 . 1 1 24 24 THR CA C 24 59.595 59.595 60.605 -1.010 25564 13298 1 25 . 1 1 24 24 THR CB C 24 71.670 71.670 68.779 2.891 25564 13299 1 25 . 1 1 24 24 THR H H 24 7.392 7.392 8.127 -0.735 25564 13300 1 25 . 1 1 25 25 SER N N 25 116.249 116.249 116.350 -0.101 25564 13301 1 25 . 1 1 25 25 SER HA H 25 5.440 5.440 5.296 0.144 25564 13302 1 25 . 1 1 25 25 SER C C 25 171.891 171.891 172.366 -0.475 25564 13303 1 25 . 1 1 25 25 SER CA C 25 57.670 57.670 58.190 -0.520 25564 13304 1 25 . 1 1 25 25 SER CB C 25 67.439 67.439 66.085 1.354 25564 13305 1 25 . 1 1 25 25 SER H H 25 7.693 7.693 7.681 0.012 25564 13306 1 25 . 1 1 26 26 ILE N N 26 118.594 118.594 123.522 -4.928 25564 13307 1 25 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.694 -0.280 25564 13308 1 25 . 1 1 26 26 ILE C C 26 174.020 174.020 173.558 0.462 25564 13309 1 25 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.611 0.523 25564 13310 1 25 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.866 2.222 25564 13311 1 25 . 1 1 26 26 ILE H H 26 8.141 8.141 8.657 -0.516 25564 13312 1 25 . 1 1 27 27 VAL N N 27 126.778 126.778 125.722 1.056 25564 13313 1 25 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.181 -0.208 25564 13314 1 25 . 1 1 27 27 VAL C C 27 175.692 175.692 174.870 0.822 25564 13315 1 25 . 1 1 27 27 VAL CA C 27 61.449 61.449 59.696 1.753 25564 13316 1 25 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.251 0.562 25564 13317 1 25 . 1 1 27 27 VAL H H 27 8.642 8.642 8.885 -0.243 25564 13318 1 25 . 1 1 28 28 VAL N N 28 127.624 127.624 123.564 4.060 25564 13319 1 25 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.955 -0.095 25564 13320 1 25 . 1 1 28 28 VAL C C 28 173.467 173.467 173.763 -0.296 25564 13321 1 25 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.284 1.170 25564 13322 1 25 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.656 -0.704 25564 13323 1 25 . 1 1 28 28 VAL H H 28 8.656 8.656 8.971 -0.315 25564 13324 1 25 . 1 1 29 29 ARG N N 29 123.905 123.905 125.329 -1.424 25564 13325 1 25 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.925 -0.208 25564 13326 1 25 . 1 1 29 29 ARG C C 29 174.147 174.147 175.232 -1.085 25564 13327 1 25 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.592 0.274 25564 13328 1 25 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.995 1.196 25564 13329 1 25 . 1 1 29 29 ARG H H 29 9.075 9.075 8.473 0.602 25564 13330 1 25 . 1 1 30 30 TRP N N 30 116.284 116.284 123.681 -7.397 25564 13331 1 25 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.111 -0.265 25564 13332 1 25 . 1 1 30 30 TRP C C 30 174.778 174.778 175.161 -0.383 25564 13333 1 25 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.703 2.832 25564 13334 1 25 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.879 -0.581 25564 13335 1 25 . 1 1 30 30 TRP H H 30 7.512 7.512 8.061 -0.549 25564 13336 1 25 . 1 1 31 31 SER HA H 31 4.747 4.747 4.660 0.087 25564 13337 1 25 . 1 1 31 31 SER C C 31 172.773 172.773 174.473 -1.700 25564 13338 1 25 . 1 1 31 31 SER CA C 31 57.875 57.875 56.730 1.145 25564 13339 1 25 . 1 1 31 31 SER CB C 31 64.093 64.093 63.270 0.823 25564 13340 1 25 . 1 1 32 32 ARG N N 32 122.062 122.062 128.845 -6.783 25564 13341 1 25 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.682 0.197 25564 13342 1 25 . 1 1 32 32 ARG C C 32 175.788 175.788 174.903 0.885 25564 13343 1 25 . 1 1 32 32 ARG CA C 32 55.285 55.285 56.081 -0.796 25564 13344 1 25 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.321 2.099 25564 13345 1 25 . 1 1 32 32 ARG H H 32 8.337 8.337 7.884 0.453 25564 13346 1 25 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.622 -0.146 25564 13347 1 25 . 1 1 33 33 PRO C C 33 175.739 175.739 176.970 -1.231 25564 13348 1 25 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.133 0.833 25564 13349 1 25 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.804 0.171 25564 13350 1 25 . 1 1 34 34 GLN N N 34 122.510 122.510 120.802 1.708 25564 13351 1 25 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.214 -0.060 25564 13352 1 25 . 1 1 34 34 GLN C C 34 177.396 177.396 175.822 1.574 25564 13353 1 25 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.701 0.802 25564 13354 1 25 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.823 0.823 25564 13355 1 25 . 1 1 34 34 GLN H H 34 10.310 10.310 8.586 1.724 25564 13356 1 25 . 1 1 35 35 ALA N N 35 123.797 123.797 124.153 -0.356 25564 13357 1 25 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.392 0.086 25564 13358 1 25 . 1 1 35 35 ALA C C 35 174.959 174.959 175.638 -0.679 25564 13359 1 25 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.409 0.458 25564 13360 1 25 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.907 0.264 25564 13361 1 25 . 1 1 35 35 ALA H H 35 8.725 8.725 7.822 0.903 25564 13362 1 25 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.487 0.096 25564 13363 1 25 . 1 1 36 36 PRO C C 36 175.555 175.555 175.704 -0.149 25564 13364 1 25 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.192 -0.190 25564 13365 1 25 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.197 -1.222 25564 13366 1 25 . 1 1 37 37 ILE N N 37 114.656 114.656 118.865 -4.209 25564 13367 1 25 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.613 -0.213 25564 13368 1 25 . 1 1 37 37 ILE C C 37 176.204 176.204 175.440 0.764 25564 13369 1 25 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.045 2.066 25564 13370 1 25 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.526 1.116 25564 13371 1 25 . 1 1 37 37 ILE H H 37 7.946 7.946 7.859 0.087 25564 13372 1 25 . 1 1 38 38 THR N N 38 109.332 109.332 114.280 -4.948 25564 13373 1 25 . 1 1 38 38 THR HA H 38 4.576 4.576 4.844 -0.268 25564 13374 1 25 . 1 1 38 38 THR C C 38 175.325 175.325 175.467 -0.142 25564 13375 1 25 . 1 1 38 38 THR CA C 38 61.858 61.858 61.927 -0.069 25564 13376 1 25 . 1 1 38 38 THR CB C 38 69.971 69.971 70.377 -0.406 25564 13377 1 25 . 1 1 38 38 THR H H 38 9.767 9.767 9.003 0.764 25564 13378 1 25 . 1 1 39 39 GLY N N 39 109.326 109.326 109.690 -0.364 25564 13379 1 25 . 1 1 39 39 GLY C C 39 169.390 169.390 171.818 -2.428 25564 13380 1 25 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.986 -0.346 25564 13381 1 25 . 1 1 39 39 GLY H H 39 7.641 7.641 7.929 -0.288 25564 13382 1 25 . 1 1 40 40 TYR N N 40 113.638 113.638 118.373 -4.735 25564 13383 1 25 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.732 -0.380 25564 13384 1 25 . 1 1 40 40 TYR C C 40 174.719 174.719 175.182 -0.463 25564 13385 1 25 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.280 0.709 25564 13386 1 25 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.796 0.523 25564 13387 1 25 . 1 1 40 40 TYR H H 40 8.470 8.470 8.736 -0.266 25564 13388 1 25 . 1 1 41 41 ARG N N 41 125.140 125.140 122.097 3.043 25564 13389 1 25 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.234 0.048 25564 13390 1 25 . 1 1 41 41 ARG C C 41 173.714 173.714 175.085 -1.371 25564 13391 1 25 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.024 1.745 25564 13392 1 25 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.450 2.251 25564 13393 1 25 . 1 1 41 41 ARG H H 41 9.148 9.148 8.923 0.225 25564 13394 1 25 . 1 1 42 42 ILE N N 42 126.999 126.999 121.924 5.075 25564 13395 1 25 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.094 0.248 25564 13396 1 25 . 1 1 42 42 ILE C C 42 174.706 174.706 175.045 -0.339 25564 13397 1 25 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.888 -2.105 25564 13398 1 25 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.656 -0.261 25564 13399 1 25 . 1 1 42 42 ILE H H 42 9.237 9.237 8.843 0.394 25564 13400 1 25 . 1 1 43 43 VAL N N 43 126.775 126.775 128.617 -1.842 25564 13401 1 25 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.944 0.404 25564 13402 1 25 . 1 1 43 43 VAL C C 43 175.795 175.795 175.533 0.262 25564 13403 1 25 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.874 -0.270 25564 13404 1 25 . 1 1 43 43 VAL CB C 43 35.179 35.179 33.287 1.892 25564 13405 1 25 . 1 1 43 43 VAL H H 43 9.369 9.369 9.027 0.342 25564 13406 1 25 . 1 1 44 44 TYR N N 44 122.788 122.788 125.833 -3.045 25564 13407 1 25 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.900 0.344 25564 13408 1 25 . 1 1 44 44 TYR C C 44 174.353 174.353 174.376 -0.023 25564 13409 1 25 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.174 1.236 25564 13410 1 25 . 1 1 44 44 TYR CB C 44 43.350 43.350 39.866 3.484 25564 13411 1 25 . 1 1 44 44 TYR H H 44 9.253 9.253 8.928 0.325 25564 13412 1 25 . 1 1 45 45 SER N N 45 114.339 114.339 117.276 -2.937 25564 13413 1 25 . 1 1 45 45 SER HA H 45 5.208 5.208 4.914 0.294 25564 13414 1 25 . 1 1 45 45 SER C C 45 171.693 171.693 172.031 -0.338 25564 13415 1 25 . 1 1 45 45 SER CA C 45 55.870 55.870 54.827 1.043 25564 13416 1 25 . 1 1 45 45 SER CB C 45 65.646 65.646 65.773 -0.127 25564 13417 1 25 . 1 1 45 45 SER H H 45 8.797 8.797 8.982 -0.185 25564 13418 1 25 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.610 -0.224 25564 13419 1 25 . 1 1 46 46 PRO C C 46 177.666 177.666 176.694 0.972 25564 13420 1 25 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.620 0.072 25564 13421 1 25 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.979 0.038 25564 13422 1 25 . 1 1 47 47 SER N N 47 118.732 118.732 117.992 0.740 25564 13423 1 25 . 1 1 47 47 SER HA H 47 4.069 4.069 4.239 -0.170 25564 13424 1 25 . 1 1 47 47 SER C C 47 175.055 175.055 175.573 -0.518 25564 13425 1 25 . 1 1 47 47 SER CA C 47 60.992 60.992 60.595 0.397 25564 13426 1 25 . 1 1 47 47 SER CB C 47 63.541 63.541 63.431 0.110 25564 13427 1 25 . 1 1 47 47 SER H H 47 8.648 8.648 8.452 0.196 25564 13428 1 25 . 1 1 48 48 VAL N N 48 117.213 117.213 114.278 2.935 25564 13429 1 25 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.213 -0.131 25564 13430 1 25 . 1 1 48 48 VAL C C 48 175.456 175.456 175.092 0.364 25564 13431 1 25 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.391 0.596 25564 13432 1 25 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.920 -0.051 25564 13433 1 25 . 1 1 48 48 VAL H H 48 7.640 7.640 7.748 -0.108 25564 13434 1 25 . 1 1 49 49 GLU N N 49 119.528 119.528 119.622 -0.094 25564 13435 1 25 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.350 -0.202 25564 13436 1 25 . 1 1 49 49 GLU C C 49 176.081 176.081 174.591 1.490 25564 13437 1 25 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.911 0.263 25564 13438 1 25 . 1 1 49 49 GLU CB C 49 30.168 30.168 31.149 -0.981 25564 13439 1 25 . 1 1 49 49 GLU H H 49 8.150 8.150 7.582 0.568 25564 13440 1 25 . 1 1 50 50 GLY N N 50 108.013 108.013 110.916 -2.903 25564 13441 1 25 . 1 1 50 50 GLY C C 50 173.617 173.617 172.918 0.699 25564 13442 1 25 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.721 0.689 25564 13443 1 25 . 1 1 50 50 GLY H H 50 8.144 8.144 8.306 -0.162 25564 13444 1 25 . 1 1 51 51 SER N N 51 115.893 115.893 117.808 -1.915 25564 13445 1 25 . 1 1 51 51 SER HA H 51 4.604 4.604 4.760 -0.156 25564 13446 1 25 . 1 1 51 51 SER CA C 51 58.145 58.145 57.512 0.633 25564 13447 1 25 . 1 1 51 51 SER CB C 51 64.429 64.429 63.524 0.905 25564 13448 1 25 . 1 1 51 51 SER H H 51 8.248 8.248 8.341 -0.093 25564 13449 1 25 . 1 1 52 52 SER HA H 52 4.795 4.795 5.554 -0.759 25564 13450 1 25 . 1 1 52 52 SER C C 52 173.840 173.840 173.643 0.197 25564 13451 1 25 . 1 1 52 52 SER CA C 52 58.319 58.319 57.643 0.676 25564 13452 1 25 . 1 1 52 52 SER CB C 52 65.231 65.231 66.280 -1.049 25564 13453 1 25 . 1 1 53 53 THR N N 53 121.052 121.052 119.282 1.770 25564 13454 1 25 . 1 1 53 53 THR HA H 53 4.294 4.294 4.451 -0.157 25564 13455 1 25 . 1 1 53 53 THR C C 53 171.241 171.241 171.719 -0.478 25564 13456 1 25 . 1 1 53 53 THR CA C 53 62.799 62.799 61.357 1.442 25564 13457 1 25 . 1 1 53 53 THR CB C 53 70.995 70.995 71.893 -0.898 25564 13458 1 25 . 1 1 53 53 THR H H 53 8.344 8.344 8.547 -0.203 25564 13459 1 25 . 1 1 54 54 GLU N N 54 125.190 125.190 125.414 -0.224 25564 13460 1 25 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.590 0.024 25564 13461 1 25 . 1 1 54 54 GLU C C 54 175.175 175.175 175.454 -0.279 25564 13462 1 25 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.387 0.125 25564 13463 1 25 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.654 2.017 25564 13464 1 25 . 1 1 54 54 GLU H H 54 8.458 8.458 8.454 0.004 25564 13465 1 25 . 1 1 55 55 LEU N N 55 125.745 125.745 126.430 -0.685 25564 13466 1 25 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.683 0.172 25564 13467 1 25 . 1 1 55 55 LEU C C 55 175.121 175.121 175.235 -0.114 25564 13468 1 25 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.857 0.149 25564 13469 1 25 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.736 1.000 25564 13470 1 25 . 1 1 55 55 LEU H H 55 9.755 9.755 8.763 0.992 25564 13471 1 25 . 1 1 56 56 ASN N N 56 120.517 120.517 120.433 0.084 25564 13472 1 25 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.578 -0.014 25564 13473 1 25 . 1 1 56 56 ASN C C 56 174.180 174.180 174.177 0.003 25564 13474 1 25 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.203 1.072 25564 13475 1 25 . 1 1 56 56 ASN CB C 56 41.451 41.451 39.900 1.551 25564 13476 1 25 . 1 1 56 56 ASN H H 56 8.727 8.727 8.519 0.208 25564 13477 1 25 . 1 1 57 57 LEU N N 57 123.534 123.534 126.655 -3.121 25564 13478 1 25 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.012 0.123 25564 13479 1 25 . 1 1 57 57 LEU C C 57 174.960 174.960 174.966 -0.006 25564 13480 1 25 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.753 0.372 25564 13481 1 25 . 1 1 57 57 LEU CB C 57 44.808 44.808 43.714 1.094 25564 13482 1 25 . 1 1 57 57 LEU H H 57 9.075 9.075 8.590 0.485 25564 13483 1 25 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.437 0.618 25564 13484 1 25 . 1 1 58 58 PRO C C 58 176.897 176.897 178.244 -1.347 25564 13485 1 25 . 1 1 58 58 PRO CA C 58 62.590 62.590 63.196 -0.606 25564 13486 1 25 . 1 1 58 58 PRO CB C 58 33.867 33.867 31.961 1.906 25564 13487 1 25 . 1 1 59 59 GLU N N 59 117.522 117.522 122.197 -4.675 25564 13488 1 25 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.167 -0.186 25564 13489 1 25 . 1 1 59 59 GLU C C 59 175.246 175.246 177.041 -1.795 25564 13490 1 25 . 1 1 59 59 GLU CA C 59 58.905 58.905 60.057 -1.152 25564 13491 1 25 . 1 1 59 59 GLU CB C 59 28.924 28.924 29.033 -0.109 25564 13492 1 25 . 1 1 59 59 GLU H H 59 8.905 8.905 8.940 -0.035 25564 13493 1 25 . 1 1 60 60 THR N N 60 106.153 106.153 112.071 -5.918 25564 13494 1 25 . 1 1 60 60 THR HA H 60 4.155 4.155 4.364 -0.209 25564 13495 1 25 . 1 1 60 60 THR C C 60 175.087 175.087 173.569 1.518 25564 13496 1 25 . 1 1 60 60 THR CA C 60 61.646 61.646 60.578 1.068 25564 13497 1 25 . 1 1 60 60 THR CB C 60 69.638 69.638 68.231 1.407 25564 13498 1 25 . 1 1 60 60 THR H H 60 7.056 7.056 7.908 -0.852 25564 13499 1 25 . 1 1 61 61 ALA N N 61 125.590 125.590 123.660 1.930 25564 13500 1 25 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.141 0.209 25564 13501 1 25 . 1 1 61 61 ALA C C 61 176.988 176.988 175.893 1.095 25564 13502 1 25 . 1 1 61 61 ALA CA C 61 53.470 53.470 52.585 0.885 25564 13503 1 25 . 1 1 61 61 ALA CB C 61 21.224 21.224 19.807 1.417 25564 13504 1 25 . 1 1 61 61 ALA H H 61 7.808 7.808 8.127 -0.319 25564 13505 1 25 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.836 -0.173 25564 13506 1 25 . 1 1 62 62 ASN C C 62 171.666 171.666 172.795 -1.129 25564 13507 1 25 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.185 -0.007 25564 13508 1 25 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.199 -0.523 25564 13509 1 25 . 1 1 63 63 SER N N 63 109.802 109.802 113.650 -3.848 25564 13510 1 25 . 1 1 63 63 SER HA H 63 4.341 4.341 4.469 -0.128 25564 13511 1 25 . 1 1 63 63 SER C C 63 172.378 172.378 172.421 -0.043 25564 13512 1 25 . 1 1 63 63 SER CA C 63 56.541 56.541 57.331 -0.790 25564 13513 1 25 . 1 1 63 63 SER CB C 63 65.498 65.498 64.953 0.545 25564 13514 1 25 . 1 1 63 63 SER H H 63 6.764 6.764 6.680 0.084 25564 13515 1 25 . 1 1 64 64 VAL N N 64 117.873 117.873 122.207 -4.334 25564 13516 1 25 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.474 -0.035 25564 13517 1 25 . 1 1 64 64 VAL C C 64 171.395 171.395 174.318 -2.923 25564 13518 1 25 . 1 1 64 64 VAL CA C 64 60.744 60.744 60.177 0.567 25564 13519 1 25 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.667 -0.576 25564 13520 1 25 . 1 1 64 64 VAL H H 64 8.793 8.793 8.748 0.045 25564 13521 1 25 . 1 1 65 65 THR N N 65 123.328 123.328 125.146 -1.818 25564 13522 1 25 . 1 1 65 65 THR HA H 65 4.703 4.703 4.524 0.179 25564 13523 1 25 . 1 1 65 65 THR C C 65 173.608 173.608 174.077 -0.469 25564 13524 1 25 . 1 1 65 65 THR CA C 65 62.094 62.094 62.280 -0.186 25564 13525 1 25 . 1 1 65 65 THR CB C 65 69.754 69.754 68.416 1.337 25564 13526 1 25 . 1 1 65 65 THR H H 65 8.377 8.377 8.495 -0.118 25564 13527 1 25 . 1 1 66 66 LEU N N 66 130.029 130.029 127.218 2.811 25564 13528 1 25 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.180 0.171 25564 13529 1 25 . 1 1 66 66 LEU C C 66 174.738 174.738 176.226 -1.488 25564 13530 1 25 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.629 -1.071 25564 13531 1 25 . 1 1 66 66 LEU CB C 66 41.206 41.206 42.102 -0.896 25564 13532 1 25 . 1 1 66 66 LEU H H 66 9.232 9.232 8.604 0.628 25564 13533 1 25 . 1 1 67 67 SER N N 67 117.107 117.107 115.281 1.826 25564 13534 1 25 . 1 1 67 67 SER HA H 67 4.936 4.936 5.156 -0.220 25564 13535 1 25 . 1 1 67 67 SER C C 67 172.509 172.509 173.630 -1.121 25564 13536 1 25 . 1 1 67 67 SER CA C 67 57.340 57.340 56.978 0.362 25564 13537 1 25 . 1 1 67 67 SER CB C 67 66.115 66.115 65.682 0.433 25564 13538 1 25 . 1 1 67 67 SER H H 67 8.174 8.174 8.268 -0.094 25564 13539 1 25 . 1 1 68 68 ASP N N 68 116.924 116.924 119.598 -2.674 25564 13540 1 25 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.299 0.055 25564 13541 1 25 . 1 1 68 68 ASP C C 68 175.654 175.654 175.332 0.322 25564 13542 1 25 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.619 -0.017 25564 13543 1 25 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.394 0.320 25564 13544 1 25 . 1 1 68 68 ASP H H 68 9.003 9.003 8.187 0.816 25564 13545 1 25 . 1 1 69 69 LEU N N 69 116.713 116.713 116.792 -0.079 25564 13546 1 25 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.391 -0.055 25564 13547 1 25 . 1 1 69 69 LEU C C 69 175.793 175.793 176.899 -1.106 25564 13548 1 25 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.688 -1.141 25564 13549 1 25 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.644 -1.610 25564 13550 1 25 . 1 1 69 69 LEU H H 69 8.605 8.605 7.222 1.383 25564 13551 1 25 . 1 1 70 70 GLN N N 70 118.301 118.301 118.767 -0.466 25564 13552 1 25 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.868 -0.102 25564 13553 1 25 . 1 1 70 70 GLN C C 70 174.178 174.178 173.723 0.455 25564 13554 1 25 . 1 1 70 70 GLN CA C 70 52.948 52.948 51.911 1.036 25564 13555 1 25 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.591 -0.965 25564 13556 1 25 . 1 1 70 70 GLN H H 70 8.288 8.288 8.576 -0.288 25564 13557 1 25 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.175 1.077 25564 13558 1 25 . 1 1 71 71 PRO C C 71 177.837 177.837 177.440 0.397 25564 13559 1 25 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.718 -0.620 25564 13560 1 25 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.608 1.785 25564 13561 1 25 . 1 1 72 72 GLY N N 72 111.077 111.077 111.573 -0.496 25564 13562 1 25 . 1 1 72 72 GLY C C 72 174.621 174.621 173.331 1.290 25564 13563 1 25 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.267 1.959 25564 13564 1 25 . 1 1 72 72 GLY H H 72 7.348 7.348 8.428 -1.080 25564 13565 1 25 . 1 1 73 73 VAL N N 73 120.434 120.434 118.641 1.793 25564 13566 1 25 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.376 -0.264 25564 13567 1 25 . 1 1 73 73 VAL C C 73 173.963 173.963 174.636 -0.673 25564 13568 1 25 . 1 1 73 73 VAL CA C 73 61.694 61.694 61.136 0.557 25564 13569 1 25 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.456 -0.033 25564 13570 1 25 . 1 1 73 73 VAL H H 73 7.670 7.670 8.257 -0.587 25564 13571 1 25 . 1 1 74 74 GLN N N 74 123.606 123.606 125.261 -1.655 25564 13572 1 25 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.545 -0.338 25564 13573 1 25 . 1 1 74 74 GLN C C 74 174.283 174.283 174.539 -0.256 25564 13574 1 25 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.208 1.298 25564 13575 1 25 . 1 1 74 74 GLN CB C 74 30.475 30.475 29.296 1.179 25564 13576 1 25 . 1 1 74 74 GLN H H 74 8.263 8.263 8.732 -0.469 25564 13577 1 25 . 1 1 75 75 TYR N N 75 127.153 127.153 125.835 1.318 25564 13578 1 25 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.670 0.070 25564 13579 1 25 . 1 1 75 75 TYR C C 75 174.412 174.412 174.478 -0.066 25564 13580 1 25 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.116 2.067 25564 13581 1 25 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.911 -0.030 25564 13582 1 25 . 1 1 75 75 TYR H H 75 8.916 8.916 8.861 0.055 25564 13583 1 25 . 1 1 76 76 ASN N N 76 120.363 120.363 124.439 -4.076 25564 13584 1 25 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.009 0.184 25564 13585 1 25 . 1 1 76 76 ASN C C 76 174.903 174.903 174.447 0.456 25564 13586 1 25 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.772 -0.933 25564 13587 1 25 . 1 1 76 76 ASN CB C 76 40.339 40.339 38.962 1.377 25564 13588 1 25 . 1 1 76 76 ASN H H 76 9.014 9.014 8.898 0.116 25564 13589 1 25 . 1 1 77 77 ILE N N 77 127.376 127.376 128.098 -0.722 25564 13590 1 25 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.352 0.296 25564 13591 1 25 . 1 1 77 77 ILE C C 77 173.510 173.510 175.180 -1.670 25564 13592 1 25 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.354 0.002 25564 13593 1 25 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.141 2.770 25564 13594 1 25 . 1 1 77 77 ILE H H 77 9.466 9.466 8.991 0.475 25564 13595 1 25 . 1 1 78 78 THR N N 78 124.282 124.282 126.430 -2.148 25564 13596 1 25 . 1 1 78 78 THR HA H 78 5.117 5.117 5.482 -0.365 25564 13597 1 25 . 1 1 78 78 THR C C 78 173.140 173.140 173.716 -0.576 25564 13598 1 25 . 1 1 78 78 THR CA C 78 61.961 61.961 60.940 1.021 25564 13599 1 25 . 1 1 78 78 THR CB C 78 70.244 70.244 69.413 0.831 25564 13600 1 25 . 1 1 78 78 THR H H 78 9.535 9.535 8.715 0.820 25564 13601 1 25 . 1 1 79 79 ILE N N 79 125.033 125.033 126.229 -1.196 25564 13602 1 25 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.145 0.446 25564 13603 1 25 . 1 1 79 79 ILE C C 79 173.827 173.827 174.755 -0.928 25564 13604 1 25 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.350 2.398 25564 13605 1 25 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.177 3.093 25564 13606 1 25 . 1 1 79 79 ILE H H 79 8.974 8.974 8.312 0.662 25564 13607 1 25 . 1 1 80 80 TYR N N 80 122.647 122.647 124.203 -1.556 25564 13608 1 25 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.581 -0.062 25564 13609 1 25 . 1 1 80 80 TYR C C 80 177.072 177.072 174.084 2.988 25564 13610 1 25 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.920 0.481 25564 13611 1 25 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.213 0.687 25564 13612 1 25 . 1 1 80 80 TYR H H 80 9.137 9.137 8.795 0.342 25564 13613 1 25 . 1 1 81 81 ALA N N 81 124.412 124.412 127.724 -3.312 25564 13614 1 25 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.340 1.413 25564 13615 1 25 . 1 1 81 81 ALA C C 81 175.811 175.811 175.075 0.736 25564 13616 1 25 . 1 1 81 81 ALA CA C 81 51.657 51.657 51.065 0.592 25564 13617 1 25 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.063 2.253 25564 13618 1 25 . 1 1 81 81 ALA H H 81 8.764 8.764 8.816 -0.052 25564 13619 1 25 . 1 1 82 82 VAL N N 82 120.278 120.278 124.649 -4.371 25564 13620 1 25 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.434 0.179 25564 13621 1 25 . 1 1 82 82 VAL C C 82 174.662 174.662 174.221 0.441 25564 13622 1 25 . 1 1 82 82 VAL CA C 82 61.179 61.179 59.926 1.253 25564 13623 1 25 . 1 1 82 82 VAL CB C 82 34.671 34.671 34.539 0.132 25564 13624 1 25 . 1 1 82 82 VAL H H 82 8.276 8.276 8.390 -0.114 25564 13625 1 25 . 1 1 83 83 GLU N N 83 127.125 127.125 127.633 -0.508 25564 13626 1 25 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.835 -0.298 25564 13627 1 25 . 1 1 83 83 GLU C C 83 175.133 175.133 176.295 -1.162 25564 13628 1 25 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.425 1.575 25564 13629 1 25 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.139 0.577 25564 13630 1 25 . 1 1 83 83 GLU H H 83 8.849 8.849 8.823 0.026 25564 13631 1 25 . 1 1 84 84 GLU N N 84 125.009 125.009 120.690 4.319 25564 13632 1 25 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.975 -0.293 25564 13633 1 25 . 1 1 84 84 GLU C C 84 174.988 174.988 177.324 -2.336 25564 13634 1 25 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.688 -0.327 25564 13635 1 25 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.687 -1.965 25564 13636 1 25 . 1 1 84 84 GLU H H 84 8.952 8.952 8.934 0.018 25564 13637 1 25 . 1 1 85 85 ASN N N 85 119.010 119.010 113.747 5.263 25564 13638 1 25 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.864 -0.158 25564 13639 1 25 . 1 1 85 85 ASN C C 85 174.499 174.499 174.434 0.065 25564 13640 1 25 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.504 0.449 25564 13641 1 25 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.387 -0.357 25564 13642 1 25 . 1 1 85 85 ASN H H 85 8.412 8.412 8.558 -0.146 25564 13643 1 25 . 1 1 86 86 GLN N N 86 119.080 119.080 118.415 0.665 25564 13644 1 25 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.615 -0.011 25564 13645 1 25 . 1 1 86 86 GLN C C 86 174.270 174.270 173.727 0.543 25564 13646 1 25 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.592 0.700 25564 13647 1 25 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.819 -0.808 25564 13648 1 25 . 1 1 86 86 GLN H H 86 8.086 8.086 7.385 0.701 25564 13649 1 25 . 1 1 87 87 GLU N N 87 120.589 120.589 119.474 1.115 25564 13650 1 25 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.815 0.399 25564 13651 1 25 . 1 1 87 87 GLU C C 87 176.092 176.092 175.718 0.374 25564 13652 1 25 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.350 -0.628 25564 13653 1 25 . 1 1 87 87 GLU CB C 87 33.715 33.715 31.687 2.028 25564 13654 1 25 . 1 1 87 87 GLU H H 87 8.498 8.498 8.607 -0.109 25564 13655 1 25 . 1 1 88 88 SER N N 88 116.013 116.013 121.294 -5.281 25564 13656 1 25 . 1 1 88 88 SER HA H 88 4.547 4.547 4.428 0.119 25564 13657 1 25 . 1 1 88 88 SER C C 88 175.202 175.202 175.086 0.116 25564 13658 1 25 . 1 1 88 88 SER CA C 88 58.211 58.211 59.235 -1.024 25564 13659 1 25 . 1 1 88 88 SER CB C 88 66.959 66.959 64.012 2.947 25564 13660 1 25 . 1 1 88 88 SER H H 88 8.954 8.954 8.929 0.025 25564 13661 1 25 . 1 1 89 89 THR N N 89 114.798 114.798 113.973 0.825 25564 13662 1 25 . 1 1 89 89 THR HA H 89 4.520 4.520 4.309 0.211 25564 13663 1 25 . 1 1 89 89 THR C C 89 173.754 173.754 173.224 0.530 25564 13664 1 25 . 1 1 89 89 THR CA C 89 61.673 61.673 61.861 -0.188 25564 13665 1 25 . 1 1 89 89 THR CB C 89 69.286 69.286 68.584 0.702 25564 13666 1 25 . 1 1 89 89 THR H H 89 8.559 8.559 8.323 0.236 25564 13667 1 25 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.501 -0.346 25564 13668 1 25 . 1 1 90 90 PRO C C 90 177.970 177.970 176.184 1.786 25564 13669 1 25 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.588 1.137 25564 13670 1 25 . 1 1 90 90 PRO CB C 90 32.403 32.403 33.038 -0.635 25564 13671 1 25 . 1 1 91 91 VAL N N 91 120.679 120.679 124.450 -3.771 25564 13672 1 25 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.989 0.288 25564 13673 1 25 . 1 1 91 91 VAL C C 91 173.958 173.958 174.717 -0.759 25564 13674 1 25 . 1 1 91 91 VAL CA C 91 61.598 61.598 61.768 -0.170 25564 13675 1 25 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.100 1.847 25564 13676 1 25 . 1 1 91 91 VAL H H 91 8.189 8.189 8.520 -0.331 25564 13677 1 25 . 1 1 92 92 VAL N N 92 125.593 125.593 128.419 -2.826 25564 13678 1 25 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.666 0.341 25564 13679 1 25 . 1 1 92 92 VAL C C 92 176.045 176.045 175.527 0.518 25564 13680 1 25 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.326 0.035 25564 13681 1 25 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.197 1.937 25564 13682 1 25 . 1 1 92 92 VAL H H 92 8.300 8.300 8.472 -0.172 25564 13683 1 25 . 1 1 93 93 ILE N N 93 127.733 127.733 125.585 2.148 25564 13684 1 25 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.685 -0.269 25564 13685 1 25 . 1 1 93 93 ILE C C 93 174.071 174.071 174.411 -0.340 25564 13686 1 25 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.971 -0.133 25564 13687 1 25 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.861 2.371 25564 13688 1 25 . 1 1 93 93 ILE H H 93 9.471 9.471 8.930 0.541 25564 13689 1 25 . 1 1 94 94 GLN N N 94 123.610 123.610 127.013 -3.403 25564 13690 1 25 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.122 0.419 25564 13691 1 25 . 1 1 94 94 GLN C C 94 175.328 175.328 175.216 0.112 25564 13692 1 25 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.533 0.049 25564 13693 1 25 . 1 1 94 94 GLN CB C 94 32.029 32.029 30.006 2.023 25564 13694 1 25 . 1 1 94 94 GLN H H 94 8.522 8.522 8.645 -0.123 25564 13695 1 25 . 1 1 95 95 GLN N N 95 123.044 123.044 123.855 -0.811 25564 13696 1 25 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.635 -0.125 25564 13697 1 25 . 1 1 95 95 GLN C C 95 173.530 173.530 174.469 -0.939 25564 13698 1 25 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.430 0.492 25564 13699 1 25 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.775 -0.252 25564 13700 1 25 . 1 1 95 95 GLN H H 95 8.893 8.893 8.996 -0.103 25564 13701 1 25 . 1 1 96 96 GLU N N 96 128.881 128.881 125.776 3.105 25564 13702 1 25 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.679 1.064 25564 13703 1 25 . 1 1 96 96 GLU C C 96 178.926 178.926 176.464 2.462 25564 13704 1 25 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.342 -0.523 25564 13705 1 25 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.848 0.677 25564 13706 1 25 . 1 1 96 96 GLU H H 96 8.913 8.913 8.667 0.246 25564 13707 1 25 . 1 1 97 97 THR N N 97 116.022 116.022 118.441 -2.419 25564 13708 1 25 . 1 1 97 97 THR HA H 97 4.344 4.344 4.329 0.015 25564 13709 1 25 . 1 1 97 97 THR C C 97 176.660 176.660 175.084 1.576 25564 13710 1 25 . 1 1 97 97 THR CA C 97 61.453 61.453 62.874 -1.421 25564 13711 1 25 . 1 1 97 97 THR CB C 97 69.742 69.742 69.651 0.091 25564 13712 1 25 . 1 1 97 97 THR H H 97 8.740 8.740 8.755 -0.015 25564 13713 1 25 . 1 1 98 98 THR N N 98 110.068 110.068 119.303 -9.235 25564 13714 1 25 . 1 1 98 98 THR HA H 98 4.270 4.270 4.166 0.104 25564 13715 1 25 . 1 1 98 98 THR C C 98 173.859 173.859 175.685 -1.826 25564 13716 1 25 . 1 1 98 98 THR CA C 98 62.659 62.659 64.664 -2.005 25564 13717 1 25 . 1 1 98 98 THR CB C 98 69.654 69.654 68.924 0.730 25564 13718 1 25 . 1 1 98 98 THR H H 98 7.287 7.287 8.096 -0.809 25564 13719 1 25 . 1 1 99 99 GLY N N 99 103.540 103.540 111.367 -7.827 25564 13720 1 25 . 1 1 99 99 GLY C C 99 174.225 174.225 173.289 0.936 25564 13721 1 25 . 1 1 99 99 GLY CA C 99 44.955 44.955 45.397 -0.442 25564 13722 1 25 . 1 1 99 99 GLY H H 99 8.033 8.033 7.296 0.737 25564 13723 1 25 . 1 1 100 100 THR N N 100 114.887 114.887 119.655 -4.768 25564 13724 1 25 . 1 1 100 100 THR HA H 100 4.623 4.623 4.514 0.109 25564 13725 1 25 . 1 1 100 100 THR C C 100 172.336 172.336 173.000 -0.664 25564 13726 1 25 . 1 1 100 100 THR CA C 100 59.775 59.775 60.126 -0.351 25564 13727 1 25 . 1 1 100 100 THR CB C 100 70.644 70.644 69.493 1.151 25564 13728 1 25 . 1 1 100 100 THR H H 100 8.055 8.055 8.060 -0.005 25564 13729 1 25 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.384 0.115 25564 13730 1 25 . 1 1 101 101 PRO C C 101 177.344 177.344 175.834 1.510 25564 13731 1 25 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.512 -0.404 25564 13732 1 25 . 1 1 101 101 PRO CB C 101 32.286 32.286 32.008 0.278 25564 13733 1 25 . 1 1 102 102 ARG N N 102 122.476 122.476 125.000 -2.524 25564 13734 1 25 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.527 -0.213 25564 13735 1 25 . 1 1 102 102 ARG C C 102 176.790 176.790 175.203 1.587 25564 13736 1 25 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.119 0.285 25564 13737 1 25 . 1 1 102 102 ARG CB C 102 31.265 31.265 31.679 -0.414 25564 13738 1 25 . 1 1 102 102 ARG H H 102 8.771 8.771 8.353 0.418 25564 13739 1 25 . 1 1 103 103 SER HA H 103 4.523 4.523 4.615 -0.092 25564 13740 1 25 . 1 1 103 103 SER CA C 103 58.311 58.311 57.769 0.542 25564 13741 1 25 . 1 1 103 103 SER CB C 103 64.168 64.168 64.709 -0.541 25564 13742 1 25 . 1 1 104 104 ASP N N 104 122.461 122.461 119.298 3.163 25564 13743 1 25 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.564 0.084 25564 13744 1 25 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.170 0.396 25564 13745 1 25 . 1 1 104 104 ASP CB C 104 41.383 41.383 40.457 0.926 25564 13746 1 25 . 1 1 104 104 ASP H H 104 8.418 8.418 8.462 -0.044 25564 13747 1 25 . 1 1 105 105 GLY N N 105 109.250 109.250 109.460 -0.210 25564 13748 1 25 . 1 1 105 105 GLY C C 105 173.987 173.987 175.017 -1.030 25564 13749 1 25 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.804 -0.031 25564 13750 1 25 . 1 1 105 105 GLY H H 105 8.390 8.390 8.478 -0.088 25564 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 83 3.453 1.433 3.161 25564 2 1 1 "Average Difference" HA 105 0.326 -0.029 0.327 25564 3 1 1 "Average Difference" C 94 1.042 0.209 1.026 25564 4 1 1 "Average Difference" CA 100 1.006 -0.254 0.979 25564 5 1 1 "Average Difference" CB 95 1.421 -0.594 1.298 25564 6 1 1 "Average Difference" HN 83 0.510 -0.087 0.506 25564 7 1 2 "Average Difference" N 83 3.427 1.300 3.190 25564 8 1 2 "Average Difference" HA 105 0.304 -0.025 0.304 25564 9 1 2 "Average Difference" C 94 1.024 0.201 1.009 25564 10 1 2 "Average Difference" CA 100 0.953 -0.213 0.934 25564 11 1 2 "Average Difference" CB 95 1.409 -0.616 1.274 25564 12 1 2 "Average Difference" HN 83 0.513 -0.094 0.508 25564 13 1 3 "Average Difference" N 83 3.410 1.280 3.179 25564 14 1 3 "Average Difference" HA 105 0.321 -0.024 0.322 25564 15 1 3 "Average Difference" C 94 1.009 0.157 1.002 25564 16 1 3 "Average Difference" CA 100 1.000 -0.356 0.939 25564 17 1 3 "Average Difference" CB 95 1.487 -0.637 1.351 25564 18 1 3 "Average Difference" HN 83 0.494 -0.073 0.491 25564 19 1 4 "Average Difference" N 83 3.378 1.335 3.121 25564 20 1 4 "Average Difference" HA 105 0.332 -0.024 0.333 25564 21 1 4 "Average Difference" C 94 1.053 0.123 1.052 25564 22 1 4 "Average Difference" CA 100 0.969 -0.334 0.914 25564 23 1 4 "Average Difference" CB 95 1.477 -0.571 1.369 25564 24 1 4 "Average Difference" HN 83 0.492 -0.074 0.490 25564 25 1 5 "Average Difference" N 83 3.367 1.404 3.079 25564 26 1 5 "Average Difference" HA 105 0.334 -0.030 0.334 25564 27 1 5 "Average Difference" C 94 1.050 0.189 1.038 25564 28 1 5 "Average Difference" CA 100 1.009 -0.273 0.977 25564 29 1 5 "Average Difference" CB 95 1.441 -0.561 1.335 25564 30 1 5 "Average Difference" HN 83 0.502 -0.079 0.499 25564 31 1 6 "Average Difference" N 83 3.405 1.399 3.123 25564 32 1 6 "Average Difference" HA 105 0.314 -0.018 0.315 25564 33 1 6 "Average Difference" C 94 1.051 0.180 1.041 25564 34 1 6 "Average Difference" CA 100 1.012 -0.254 0.984 25564 35 1 6 "Average Difference" CB 95 1.417 -0.545 1.314 25564 36 1 6 "Average Difference" HN 83 0.516 -0.087 0.512 25564 37 1 7 "Average Difference" N 83 3.280 1.182 3.078 25564 38 1 7 "Average Difference" HA 105 0.315 -0.003 0.317 25564 39 1 7 "Average Difference" C 94 1.062 0.230 1.042 25564 40 1 7 "Average Difference" CA 100 0.949 -0.309 0.901 25564 41 1 7 "Average Difference" CB 95 1.412 -0.577 1.295 25564 42 1 7 "Average Difference" HN 83 0.524 -0.082 0.520 25564 43 1 8 "Average Difference" N 83 3.431 1.298 3.196 25564 44 1 8 "Average Difference" HA 105 0.326 -0.017 0.327 25564 45 1 8 "Average Difference" C 94 1.066 0.151 1.061 25564 46 1 8 "Average Difference" CA 100 0.987 -0.224 0.966 25564 47 1 8 "Average Difference" CB 95 1.448 -0.593 1.327 25564 48 1 8 "Average Difference" HN 83 0.512 -0.084 0.508 25564 49 1 9 "Average Difference" N 83 3.622 1.460 3.335 25564 50 1 9 "Average Difference" HA 105 0.323 -0.014 0.324 25564 51 1 9 "Average Difference" C 94 1.052 0.201 1.038 25564 52 1 9 "Average Difference" CA 100 1.018 -0.251 0.991 25564 53 1 9 "Average Difference" CB 95 1.402 -0.582 1.282 25564 54 1 9 "Average Difference" HN 83 0.513 -0.074 0.511 25564 55 1 10 "Average Difference" N 83 3.485 1.195 3.294 25564 56 1 10 "Average Difference" HA 105 0.325 -0.024 0.326 25564 57 1 10 "Average Difference" C 94 1.024 0.153 1.018 25564 58 1 10 "Average Difference" CA 100 0.976 -0.308 0.930 25564 59 1 10 "Average Difference" CB 95 1.441 -0.549 1.340 25564 60 1 10 "Average Difference" HN 83 0.519 -0.082 0.515 25564 61 1 11 "Average Difference" N 83 3.374 1.164 3.186 25564 62 1 11 "Average Difference" HA 105 0.317 -0.011 0.318 25564 63 1 11 "Average Difference" C 94 1.041 0.136 1.037 25564 64 1 11 "Average Difference" CA 100 1.034 -0.264 1.004 25564 65 1 11 "Average Difference" CB 95 1.407 -0.480 1.330 25564 66 1 11 "Average Difference" HN 83 0.515 -0.079 0.512 25564 67 1 12 "Average Difference" N 83 3.512 1.188 3.324 25564 68 1 12 "Average Difference" HA 105 0.333 -0.005 0.334 25564 69 1 12 "Average Difference" C 94 1.027 0.153 1.021 25564 70 1 12 "Average Difference" CA 100 0.991 -0.336 0.936 25564 71 1 12 "Average Difference" CB 95 1.440 -0.568 1.330 25564 72 1 12 "Average Difference" HN 83 0.505 -0.090 0.500 25564 73 1 13 "Average Difference" N 83 3.326 1.291 3.083 25564 74 1 13 "Average Difference" HA 105 0.313 -0.015 0.314 25564 75 1 13 "Average Difference" C 94 1.063 0.154 1.058 25564 76 1 13 "Average Difference" CA 100 0.958 -0.318 0.908 25564 77 1 13 "Average Difference" CB 95 1.415 -0.577 1.299 25564 78 1 13 "Average Difference" HN 83 0.529 -0.110 0.520 25564 79 1 14 "Average Difference" N 83 3.444 1.465 3.136 25564 80 1 14 "Average Difference" HA 105 0.317 -0.005 0.318 25564 81 1 14 "Average Difference" C 94 1.034 0.153 1.028 25564 82 1 14 "Average Difference" CA 100 1.005 -0.314 0.960 25564 83 1 14 "Average Difference" CB 95 1.424 -0.519 1.333 25564 84 1 14 "Average Difference" HN 83 0.529 -0.080 0.526 25564 85 1 15 "Average Difference" N 83 3.454 1.306 3.217 25564 86 1 15 "Average Difference" HA 105 0.317 -0.034 0.317 25564 87 1 15 "Average Difference" C 94 1.015 0.139 1.011 25564 88 1 15 "Average Difference" CA 100 0.961 -0.181 0.949 25564 89 1 15 "Average Difference" CB 95 1.450 -0.563 1.344 25564 90 1 15 "Average Difference" HN 83 0.507 -0.084 0.503 25564 91 1 16 "Average Difference" N 83 3.390 1.380 3.115 25564 92 1 16 "Average Difference" HA 105 0.317 -0.019 0.318 25564 93 1 16 "Average Difference" C 94 1.013 0.225 0.993 25564 94 1 16 "Average Difference" CA 100 0.943 -0.302 0.898 25564 95 1 16 "Average Difference" CB 95 1.515 -0.627 1.386 25564 96 1 16 "Average Difference" HN 83 0.519 -0.062 0.519 25564 97 1 17 "Average Difference" N 83 3.416 1.295 3.180 25564 98 1 17 "Average Difference" HA 105 0.315 0.003 0.316 25564 99 1 17 "Average Difference" C 94 1.048 0.182 1.037 25564 100 1 17 "Average Difference" CA 100 0.999 -0.298 0.958 25564 101 1 17 "Average Difference" CB 95 1.441 -0.563 1.333 25564 102 1 17 "Average Difference" HN 83 0.536 -0.106 0.529 25564 103 1 18 "Average Difference" N 83 3.260 1.221 3.041 25564 104 1 18 "Average Difference" HA 105 0.326 -0.025 0.326 25564 105 1 18 "Average Difference" C 94 1.062 0.119 1.061 25564 106 1 18 "Average Difference" CA 100 1.014 -0.258 0.985 25564 107 1 18 "Average Difference" CB 95 1.419 -0.478 1.343 25564 108 1 18 "Average Difference" HN 83 0.508 -0.103 0.500 25564 109 1 19 "Average Difference" N 83 3.623 1.457 3.338 25564 110 1 19 "Average Difference" HA 105 0.331 -0.017 0.333 25564 111 1 19 "Average Difference" C 94 1.060 0.189 1.049 25564 112 1 19 "Average Difference" CA 100 1.023 -0.339 0.970 25564 113 1 19 "Average Difference" CB 95 1.442 -0.605 1.316 25564 114 1 19 "Average Difference" HN 83 0.499 -0.085 0.495 25564 115 1 20 "Average Difference" N 83 3.421 1.143 3.244 25564 116 1 20 "Average Difference" HA 105 0.308 -0.000 0.309 25564 117 1 20 "Average Difference" C 94 1.042 0.165 1.035 25564 118 1 20 "Average Difference" CA 100 1.005 -0.295 0.965 25564 119 1 20 "Average Difference" CB 95 1.492 -0.524 1.404 25564 120 1 20 "Average Difference" HN 83 0.502 -0.076 0.499 25564 121 1 21 "Average Difference" N 83 3.336 1.449 3.023 25564 122 1 21 "Average Difference" HA 105 0.334 -0.035 0.334 25564 123 1 21 "Average Difference" C 94 1.021 0.220 1.002 25564 124 1 21 "Average Difference" CA 100 0.996 -0.214 0.978 25564 125 1 21 "Average Difference" CB 95 1.398 -0.590 1.275 25564 126 1 21 "Average Difference" HN 83 0.495 -0.090 0.490 25564 127 1 22 "Average Difference" N 83 3.325 1.244 3.102 25564 128 1 22 "Average Difference" HA 105 0.341 -0.003 0.343 25564 129 1 22 "Average Difference" C 94 1.065 0.206 1.051 25564 130 1 22 "Average Difference" CA 100 1.059 -0.317 1.016 25564 131 1 22 "Average Difference" CB 95 1.496 -0.550 1.399 25564 132 1 22 "Average Difference" HN 83 0.482 -0.084 0.477 25564 133 1 23 "Average Difference" N 83 3.330 1.145 3.145 25564 134 1 23 "Average Difference" HA 105 0.323 -0.016 0.324 25564 135 1 23 "Average Difference" C 94 1.090 0.124 1.089 25564 136 1 23 "Average Difference" CA 100 1.005 -0.231 0.983 25564 137 1 23 "Average Difference" CB 95 1.327 -0.541 1.218 25564 138 1 23 "Average Difference" HN 83 0.507 -0.098 0.500 25564 139 1 24 "Average Difference" N 83 3.430 1.141 3.255 25564 140 1 24 "Average Difference" HA 105 0.333 -0.018 0.334 25564 141 1 24 "Average Difference" C 94 1.072 0.215 1.056 25564 142 1 24 "Average Difference" CA 100 1.046 -0.279 1.013 25564 143 1 24 "Average Difference" CB 95 1.493 -0.591 1.378 25564 144 1 24 "Average Difference" HN 83 0.527 -0.103 0.520 25564 145 1 25 "Average Difference" N 83 3.448 1.294 3.215 25564 146 1 25 "Average Difference" HA 105 0.330 -0.023 0.331 25564 147 1 25 "Average Difference" C 94 1.068 0.122 1.067 25564 148 1 25 "Average Difference" CA 100 0.949 -0.245 0.921 25564 149 1 25 "Average Difference" CB 95 1.465 -0.535 1.371 25564 150 1 25 "Average Difference" HN 83 0.491 -0.101 0.483 25564 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 25564 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 HIS HA H 3 4.623 4.623 4.567 0.056 25564 2 1 . 1 1 3 3 HIS CA C 3 56.936 56.936 56.443 0.493 25564 3 1 . 1 1 3 3 HIS CB C 3 31.271 31.271 29.608 1.663 25564 4 1 . 1 1 7 7 THR HA H 7 4.470 4.470 4.376 0.094 25564 5 1 . 1 1 7 7 THR CA C 7 61.923 61.923 62.479 -0.555 25564 6 1 . 1 1 7 7 THR CB C 7 70.142 70.142 69.038 1.104 25564 7 1 . 1 1 8 8 THR N N 8 116.706 116.706 119.556 -2.850 25564 8 1 . 1 1 8 8 THR HA H 8 4.371 4.371 4.280 0.091 25564 9 1 . 1 1 8 8 THR C C 8 173.590 173.590 173.718 -0.128 25564 10 1 . 1 1 8 8 THR CA C 8 61.606 61.606 62.766 -1.160 25564 11 1 . 1 1 8 8 THR CB C 8 70.303 70.303 69.460 0.843 25564 12 1 . 1 1 8 8 THR H H 8 8.238 8.238 8.063 0.175 25564 13 1 . 1 1 9 9 ALA N N 9 127.030 127.030 128.700 -1.670 25564 14 1 . 1 1 9 9 ALA HA H 9 4.293 4.293 4.616 -0.323 25564 15 1 . 1 1 9 9 ALA C C 9 175.005 175.005 175.356 -0.351 25564 16 1 . 1 1 9 9 ALA CA C 9 50.813 50.813 49.912 0.901 25564 17 1 . 1 1 9 9 ALA CB C 9 18.430 18.430 19.190 -0.759 25564 18 1 . 1 1 9 9 ALA H H 9 8.220 8.220 8.145 0.075 25564 19 1 . 1 1 10 10 PRO HA H 10 4.329 4.329 4.541 -0.212 25564 20 1 . 1 1 10 10 PRO C C 10 175.138 175.138 175.606 -0.468 25564 21 1 . 1 1 10 10 PRO CA C 10 62.797 62.797 62.467 0.330 25564 22 1 . 1 1 10 10 PRO CB C 10 31.837 31.837 32.775 -0.938 25564 23 1 . 1 1 11 11 ASP N N 11 116.244 116.244 119.614 -3.370 25564 24 1 . 1 1 11 11 ASP HA H 11 4.410 4.410 4.731 -0.321 25564 25 1 . 1 1 11 11 ASP C C 11 174.009 174.009 175.418 -1.409 25564 26 1 . 1 1 11 11 ASP CA C 11 53.383 53.383 53.328 0.055 25564 27 1 . 1 1 11 11 ASP CB C 11 39.829 39.829 43.218 -3.389 25564 28 1 . 1 1 11 11 ASP H H 11 9.038 9.038 8.320 0.718 25564 29 1 . 1 1 12 12 ALA N N 12 120.012 120.012 123.234 -3.222 25564 30 1 . 1 1 12 12 ALA HA H 12 4.467 4.467 4.599 -0.132 25564 31 1 . 1 1 12 12 ALA C C 12 175.669 175.669 175.267 0.402 25564 32 1 . 1 1 12 12 ALA CA C 12 50.240 50.240 49.960 0.280 25564 33 1 . 1 1 12 12 ALA CB C 12 17.910 17.910 18.644 -0.734 25564 34 1 . 1 1 12 12 ALA H H 12 7.944 7.944 8.127 -0.183 25564 35 1 . 1 1 13 13 PRO HA H 13 4.489 4.489 4.970 -0.481 25564 36 1 . 1 1 13 13 PRO CA C 13 61.325 61.325 61.721 -0.396 25564 37 1 . 1 1 13 13 PRO CB C 13 31.829 31.829 31.352 0.477 25564 38 1 . 1 1 14 14 PRO HA H 14 4.486 4.486 4.306 0.180 25564 39 1 . 1 1 14 14 PRO C C 14 175.966 175.966 176.423 -0.457 25564 40 1 . 1 1 14 14 PRO CA C 14 62.995 62.995 62.853 0.142 25564 41 1 . 1 1 14 14 PRO CB C 14 32.629 32.629 32.395 0.234 25564 42 1 . 1 1 15 15 ASP N N 15 117.405 117.405 120.905 -3.500 25564 43 1 . 1 1 15 15 ASP HA H 15 4.558 4.558 4.416 0.142 25564 44 1 . 1 1 15 15 ASP C C 15 173.011 173.011 174.947 -1.936 25564 45 1 . 1 1 15 15 ASP CA C 15 54.230 54.230 54.168 0.062 25564 46 1 . 1 1 15 15 ASP CB C 15 41.322 41.322 40.484 0.838 25564 47 1 . 1 1 15 15 ASP H H 15 8.470 8.470 8.504 -0.034 25564 48 1 . 1 1 16 16 PRO HA H 16 5.352 5.352 4.676 0.676 25564 49 1 . 1 1 16 16 PRO C C 16 177.534 177.534 176.547 0.987 25564 50 1 . 1 1 16 16 PRO CA C 16 63.604 63.604 63.174 0.430 25564 51 1 . 1 1 16 16 PRO CB C 16 31.484 31.484 32.875 -1.391 25564 52 1 . 1 1 17 17 THR N N 17 117.955 117.955 118.745 -0.790 25564 53 1 . 1 1 17 17 THR HA H 17 4.563 4.563 4.550 0.013 25564 54 1 . 1 1 17 17 THR C C 17 172.578 172.578 174.054 -1.476 25564 55 1 . 1 1 17 17 THR CA C 17 61.093 61.093 61.536 -0.443 25564 56 1 . 1 1 17 17 THR CB C 17 72.478 72.478 70.446 2.032 25564 57 1 . 1 1 17 17 THR H H 17 9.415 9.415 8.614 0.801 25564 58 1 . 1 1 18 18 VAL N N 18 124.494 124.494 128.273 -3.779 25564 59 1 . 1 1 18 18 VAL HA H 18 4.372 4.372 4.206 0.166 25564 60 1 . 1 1 18 18 VAL C C 18 175.392 175.392 175.923 -0.531 25564 61 1 . 1 1 18 18 VAL CA C 18 62.850 62.850 62.882 -0.032 25564 62 1 . 1 1 18 18 VAL CB C 18 32.074 32.074 31.914 0.160 25564 63 1 . 1 1 18 18 VAL H H 18 8.645 8.645 8.761 -0.116 25564 64 1 . 1 1 19 19 ASP N N 19 129.904 129.904 128.362 1.542 25564 65 1 . 1 1 19 19 ASP HA H 19 4.723 4.723 4.599 0.124 25564 66 1 . 1 1 19 19 ASP C C 19 175.427 175.427 175.689 -0.262 25564 67 1 . 1 1 19 19 ASP CA C 19 54.903 54.903 55.576 -0.673 25564 68 1 . 1 1 19 19 ASP CB C 19 44.271 44.271 42.120 2.151 25564 69 1 . 1 1 19 19 ASP H H 19 8.805 8.805 8.659 0.146 25564 70 1 . 1 1 20 20 GLN N N 20 115.835 115.835 118.369 -2.534 25564 71 1 . 1 1 20 20 GLN HA H 20 4.450 4.450 4.623 -0.173 25564 72 1 . 1 1 20 20 GLN C C 20 173.593 173.593 173.967 -0.374 25564 73 1 . 1 1 20 20 GLN CA C 20 55.945 55.945 54.841 1.104 25564 74 1 . 1 1 20 20 GLN CB C 20 31.989 31.989 32.855 -0.866 25564 75 1 . 1 1 20 20 GLN H H 20 7.431 7.431 7.624 -0.193 25564 76 1 . 1 1 21 21 VAL N N 21 122.956 122.956 122.305 0.651 25564 77 1 . 1 1 21 21 VAL HA H 21 4.719 4.719 4.349 0.370 25564 78 1 . 1 1 21 21 VAL C C 21 173.753 173.753 174.630 -0.877 25564 79 1 . 1 1 21 21 VAL CA C 21 61.319 61.319 61.188 0.131 25564 80 1 . 1 1 21 21 VAL CB C 21 35.003 35.003 33.399 1.604 25564 81 1 . 1 1 21 21 VAL H H 21 8.317 8.317 8.463 -0.146 25564 82 1 . 1 1 22 22 ASP N N 22 129.722 129.722 126.467 3.255 25564 83 1 . 1 1 22 22 ASP HA H 22 4.754 4.754 5.068 -0.314 25564 84 1 . 1 1 22 22 ASP C C 22 176.114 176.114 176.375 -0.261 25564 85 1 . 1 1 22 22 ASP CA C 22 53.639 53.639 52.418 1.221 25564 86 1 . 1 1 22 22 ASP CB C 22 41.377 41.377 44.136 -2.759 25564 87 1 . 1 1 22 22 ASP H H 22 8.778 8.778 8.628 0.150 25564 88 1 . 1 1 23 23 ASP N N 23 115.970 115.970 118.583 -2.613 25564 89 1 . 1 1 23 23 ASP HA H 23 4.634 4.634 4.458 0.176 25564 90 1 . 1 1 23 23 ASP C C 23 175.820 175.820 176.204 -0.384 25564 91 1 . 1 1 23 23 ASP CA C 23 56.327 56.327 57.230 -0.903 25564 92 1 . 1 1 23 23 ASP CB C 23 40.906 40.906 40.977 -0.071 25564 93 1 . 1 1 23 23 ASP H H 23 8.049 8.049 8.671 -0.622 25564 94 1 . 1 1 24 24 THR N N 24 97.756 97.756 107.356 -9.600 25564 95 1 . 1 1 24 24 THR HA H 24 4.566 4.566 4.536 0.030 25564 96 1 . 1 1 24 24 THR C C 24 174.274 174.274 173.093 1.181 25564 97 1 . 1 1 24 24 THR CA C 24 59.595 59.595 60.552 -0.956 25564 98 1 . 1 1 24 24 THR CB C 24 71.670 71.670 68.579 3.091 25564 99 1 . 1 1 24 24 THR H H 24 7.392 7.392 7.968 -0.576 25564 100 1 . 1 1 25 25 SER N N 25 116.249 116.249 115.523 0.726 25564 101 1 . 1 1 25 25 SER HA H 25 5.440 5.440 5.343 0.097 25564 102 1 . 1 1 25 25 SER C C 25 171.891 171.891 172.244 -0.353 25564 103 1 . 1 1 25 25 SER CA C 25 57.670 57.670 58.164 -0.494 25564 104 1 . 1 1 25 25 SER CB C 25 67.439 67.439 66.005 1.434 25564 105 1 . 1 1 25 25 SER H H 25 7.693 7.693 7.447 0.246 25564 106 1 . 1 1 26 26 ILE N N 26 118.594 118.594 122.873 -4.279 25564 107 1 . 1 1 26 26 ILE HA H 26 4.414 4.414 4.826 -0.412 25564 108 1 . 1 1 26 26 ILE C C 26 174.020 174.020 173.688 0.332 25564 109 1 . 1 1 26 26 ILE CA C 26 61.134 61.134 60.518 0.616 25564 110 1 . 1 1 26 26 ILE CB C 26 45.088 45.088 42.960 2.128 25564 111 1 . 1 1 26 26 ILE H H 26 8.141 8.141 8.688 -0.547 25564 112 1 . 1 1 27 27 VAL N N 27 126.778 126.778 125.241 1.537 25564 113 1 . 1 1 27 27 VAL HA H 27 4.973 4.973 5.178 -0.205 25564 114 1 . 1 1 27 27 VAL C C 27 175.692 175.692 174.821 0.871 25564 115 1 . 1 1 27 27 VAL CA C 27 61.449 61.449 60.029 1.420 25564 116 1 . 1 1 27 27 VAL CB C 27 33.813 33.813 33.671 0.143 25564 117 1 . 1 1 27 27 VAL H H 27 8.642 8.642 8.741 -0.099 25564 118 1 . 1 1 28 28 VAL N N 28 127.624 127.624 123.405 4.219 25564 119 1 . 1 1 28 28 VAL HA H 28 4.860 4.860 4.947 -0.087 25564 120 1 . 1 1 28 28 VAL C C 28 173.467 173.467 173.848 -0.381 25564 121 1 . 1 1 28 28 VAL CA C 28 60.454 60.454 59.227 1.227 25564 122 1 . 1 1 28 28 VAL CB C 28 34.952 34.952 35.717 -0.765 25564 123 1 . 1 1 28 28 VAL H H 28 8.656 8.656 8.934 -0.278 25564 124 1 . 1 1 29 29 ARG N N 29 123.905 123.905 124.964 -1.059 25564 125 1 . 1 1 29 29 ARG HA H 29 4.717 4.717 4.946 -0.229 25564 126 1 . 1 1 29 29 ARG C C 29 174.147 174.147 175.193 -1.046 25564 127 1 . 1 1 29 29 ARG CA C 29 54.866 54.866 54.518 0.348 25564 128 1 . 1 1 29 29 ARG CB C 29 34.191 34.191 32.899 1.291 25564 129 1 . 1 1 29 29 ARG H H 29 9.075 9.075 8.443 0.632 25564 130 1 . 1 1 30 30 TRP N N 30 116.284 116.284 123.866 -7.582 25564 131 1 . 1 1 30 30 TRP HA H 30 4.846 4.846 5.091 -0.245 25564 132 1 . 1 1 30 30 TRP C C 30 174.778 174.778 175.408 -0.630 25564 133 1 . 1 1 30 30 TRP CA C 30 57.535 57.535 54.680 2.856 25564 134 1 . 1 1 30 30 TRP CB C 30 30.298 30.298 30.942 -0.644 25564 135 1 . 1 1 30 30 TRP H H 30 7.512 7.512 8.028 -0.516 25564 136 1 . 1 1 31 31 SER HA H 31 4.747 4.747 4.655 0.092 25564 137 1 . 1 1 31 31 SER C C 31 172.773 172.773 174.474 -1.701 25564 138 1 . 1 1 31 31 SER CA C 31 57.875 57.875 57.474 0.401 25564 139 1 . 1 1 31 31 SER CB C 31 64.093 64.093 62.939 1.154 25564 140 1 . 1 1 32 32 ARG N N 32 122.062 122.062 126.361 -4.299 25564 141 1 . 1 1 32 32 ARG HA H 32 4.879 4.879 4.701 0.178 25564 142 1 . 1 1 32 32 ARG C C 32 175.788 175.788 174.949 0.839 25564 143 1 . 1 1 32 32 ARG CA C 32 55.285 55.285 55.736 -0.451 25564 144 1 . 1 1 32 32 ARG CB C 32 31.420 31.420 29.103 2.317 25564 145 1 . 1 1 32 32 ARG H H 32 8.337 8.337 7.923 0.414 25564 146 1 . 1 1 33 33 PRO HA H 33 4.476 4.476 4.608 -0.132 25564 147 1 . 1 1 33 33 PRO C C 33 175.739 175.739 176.715 -0.976 25564 148 1 . 1 1 33 33 PRO CA C 33 62.966 62.966 62.107 0.859 25564 149 1 . 1 1 33 33 PRO CB C 33 32.975 32.975 32.901 0.074 25564 150 1 . 1 1 34 34 GLN N N 34 122.510 122.510 119.658 2.852 25564 151 1 . 1 1 34 34 GLN HA H 34 4.154 4.154 4.276 -0.122 25564 152 1 . 1 1 34 34 GLN C C 34 177.396 177.396 175.969 1.427 25564 153 1 . 1 1 34 34 GLN CA C 34 57.503 57.503 56.481 1.022 25564 154 1 . 1 1 34 34 GLN CB C 34 29.646 29.646 28.906 0.740 25564 155 1 . 1 1 34 34 GLN H H 34 10.310 10.310 8.618 1.692 25564 156 1 . 1 1 35 35 ALA N N 35 123.797 123.797 124.012 -0.215 25564 157 1 . 1 1 35 35 ALA HA H 35 4.478 4.478 4.411 0.067 25564 158 1 . 1 1 35 35 ALA C C 35 174.959 174.959 175.523 -0.564 25564 159 1 . 1 1 35 35 ALA CA C 35 50.867 50.867 50.463 0.404 25564 160 1 . 1 1 35 35 ALA CB C 35 19.170 19.170 18.796 0.374 25564 161 1 . 1 1 35 35 ALA H H 35 8.725 8.725 7.747 0.978 25564 162 1 . 1 1 36 36 PRO HA H 36 4.583 4.583 4.482 0.101 25564 163 1 . 1 1 36 36 PRO C C 36 175.555 175.555 175.720 -0.165 25564 164 1 . 1 1 36 36 PRO CA C 36 63.002 63.002 63.132 -0.130 25564 165 1 . 1 1 36 36 PRO CB C 36 29.975 29.975 31.315 -1.340 25564 166 1 . 1 1 37 37 ILE N N 37 114.656 114.656 118.660 -4.004 25564 167 1 . 1 1 37 37 ILE HA H 37 4.400 4.400 4.633 -0.233 25564 168 1 . 1 1 37 37 ILE C C 37 176.204 176.204 175.601 0.603 25564 169 1 . 1 1 37 37 ILE CA C 37 61.111 61.111 59.078 2.033 25564 170 1 . 1 1 37 37 ILE CB C 37 41.642 41.642 40.595 1.048 25564 171 1 . 1 1 37 37 ILE H H 37 7.946 7.946 7.879 0.067 25564 172 1 . 1 1 38 38 THR N N 38 109.332 109.332 114.022 -4.690 25564 173 1 . 1 1 38 38 THR HA H 38 4.576 4.576 4.686 -0.110 25564 174 1 . 1 1 38 38 THR C C 38 175.325 175.325 175.455 -0.130 25564 175 1 . 1 1 38 38 THR CA C 38 61.858 61.858 62.157 -0.299 25564 176 1 . 1 1 38 38 THR CB C 38 69.971 69.971 70.333 -0.362 25564 177 1 . 1 1 38 38 THR H H 38 9.767 9.767 8.985 0.782 25564 178 1 . 1 1 39 39 GLY N N 39 109.326 109.326 109.517 -0.191 25564 179 1 . 1 1 39 39 GLY C C 39 169.390 169.390 171.767 -2.377 25564 180 1 . 1 1 39 39 GLY CA C 39 45.640 45.640 45.973 -0.333 25564 181 1 . 1 1 39 39 GLY H H 39 7.641 7.641 7.947 -0.306 25564 182 1 . 1 1 40 40 TYR N N 40 113.638 113.638 118.317 -4.679 25564 183 1 . 1 1 40 40 TYR HA H 40 5.352 5.352 5.696 -0.344 25564 184 1 . 1 1 40 40 TYR C C 40 174.719 174.719 175.072 -0.353 25564 185 1 . 1 1 40 40 TYR CA C 40 56.989 56.989 56.532 0.457 25564 186 1 . 1 1 40 40 TYR CB C 40 43.319 43.319 42.977 0.342 25564 187 1 . 1 1 40 40 TYR H H 40 8.470 8.470 8.739 -0.269 25564 188 1 . 1 1 41 41 ARG N N 41 125.140 125.140 121.925 3.215 25564 189 1 . 1 1 41 41 ARG HA H 41 5.282 5.282 5.379 -0.097 25564 190 1 . 1 1 41 41 ARG C C 41 173.714 173.714 175.152 -1.438 25564 191 1 . 1 1 41 41 ARG CA C 41 55.769 55.769 54.101 1.668 25564 192 1 . 1 1 41 41 ARG CB C 41 34.701 34.701 32.843 1.858 25564 193 1 . 1 1 41 41 ARG H H 41 9.148 9.148 8.950 0.198 25564 194 1 . 1 1 42 42 ILE N N 42 126.999 126.999 122.114 4.885 25564 195 1 . 1 1 42 42 ILE HA H 42 5.342 5.342 5.104 0.238 25564 196 1 . 1 1 42 42 ILE C C 42 174.706 174.706 174.951 -0.245 25564 197 1 . 1 1 42 42 ILE CA C 42 58.783 58.783 60.812 -2.028 25564 198 1 . 1 1 42 42 ILE CB C 42 40.394 40.394 40.743 -0.349 25564 199 1 . 1 1 42 42 ILE H H 42 9.237 9.237 8.840 0.397 25564 200 1 . 1 1 43 43 VAL N N 43 126.775 126.775 128.757 -1.982 25564 201 1 . 1 1 43 43 VAL HA H 43 5.348 5.348 4.927 0.421 25564 202 1 . 1 1 43 43 VAL C C 43 175.795 175.795 175.562 0.233 25564 203 1 . 1 1 43 43 VAL CA C 43 60.604 60.604 60.856 -0.252 25564 204 1 . 1 1 43 43 VAL CB C 43 35.179 35.179 32.921 2.258 25564 205 1 . 1 1 43 43 VAL H H 43 9.369 9.369 9.046 0.323 25564 206 1 . 1 1 44 44 TYR N N 44 122.788 122.788 126.056 -3.268 25564 207 1 . 1 1 44 44 TYR HA H 44 6.244 6.244 5.950 0.294 25564 208 1 . 1 1 44 44 TYR C C 44 174.353 174.353 174.789 -0.436 25564 209 1 . 1 1 44 44 TYR CA C 44 55.410 55.410 54.343 1.067 25564 210 1 . 1 1 44 44 TYR CB C 44 43.350 43.350 40.013 3.337 25564 211 1 . 1 1 44 44 TYR H H 44 9.253 9.253 8.851 0.402 25564 212 1 . 1 1 45 45 SER N N 45 114.339 114.339 116.928 -2.589 25564 213 1 . 1 1 45 45 SER HA H 45 5.208 5.208 4.977 0.231 25564 214 1 . 1 1 45 45 SER C C 45 171.693 171.693 172.140 -0.447 25564 215 1 . 1 1 45 45 SER CA C 45 55.870 55.870 55.023 0.847 25564 216 1 . 1 1 45 45 SER CB C 45 65.646 65.646 65.498 0.148 25564 217 1 . 1 1 45 45 SER H H 45 8.797 8.797 9.051 -0.254 25564 218 1 . 1 1 46 46 PRO HA H 46 4.386 4.386 4.802 -0.416 25564 219 1 . 1 1 46 46 PRO C C 46 177.666 177.666 177.172 0.494 25564 220 1 . 1 1 46 46 PRO CA C 46 62.692 62.692 62.070 0.622 25564 221 1 . 1 1 46 46 PRO CB C 46 32.017 32.017 31.935 0.082 25564 222 1 . 1 1 47 47 SER N N 47 118.732 118.732 118.911 -0.179 25564 223 1 . 1 1 47 47 SER HA H 47 4.069 4.069 4.244 -0.175 25564 224 1 . 1 1 47 47 SER C C 47 175.055 175.055 175.240 -0.185 25564 225 1 . 1 1 47 47 SER CA C 47 60.992 60.992 60.679 0.313 25564 226 1 . 1 1 47 47 SER CB C 47 63.541 63.541 63.376 0.165 25564 227 1 . 1 1 47 47 SER H H 47 8.648 8.648 8.531 0.117 25564 228 1 . 1 1 48 48 VAL N N 48 117.213 117.213 116.126 1.087 25564 229 1 . 1 1 48 48 VAL HA H 48 4.082 4.082 4.217 -0.135 25564 230 1 . 1 1 48 48 VAL C C 48 175.456 175.456 174.938 0.518 25564 231 1 . 1 1 48 48 VAL CA C 48 62.987 62.987 62.234 0.753 25564 232 1 . 1 1 48 48 VAL CB C 48 32.869 32.869 32.611 0.258 25564 233 1 . 1 1 48 48 VAL H H 48 7.640 7.640 7.734 -0.094 25564 234 1 . 1 1 49 49 GLU N N 49 119.528 119.528 119.298 0.230 25564 235 1 . 1 1 49 49 GLU HA H 49 4.148 4.148 4.268 -0.120 25564 236 1 . 1 1 49 49 GLU C C 49 176.081 176.081 175.056 1.025 25564 237 1 . 1 1 49 49 GLU CA C 49 57.174 57.174 56.529 0.645 25564 238 1 . 1 1 49 49 GLU CB C 49 30.168 30.168 30.742 -0.575 25564 239 1 . 1 1 49 49 GLU H H 49 8.150 8.150 7.693 0.457 25564 240 1 . 1 1 50 50 GLY N N 50 108.013 108.013 109.689 -1.676 25564 241 1 . 1 1 50 50 GLY C C 50 173.617 173.617 173.492 0.125 25564 242 1 . 1 1 50 50 GLY CA C 50 45.410 45.410 44.777 0.633 25564 243 1 . 1 1 50 50 GLY H H 50 8.144 8.144 8.267 -0.123 25564 244 1 . 1 1 51 51 SER N N 51 115.893 115.893 119.175 -3.282 25564 245 1 . 1 1 51 51 SER HA H 51 4.604 4.604 4.706 -0.102 25564 246 1 . 1 1 51 51 SER CA C 51 58.145 58.145 58.225 -0.080 25564 247 1 . 1 1 51 51 SER CB C 51 64.429 64.429 63.676 0.753 25564 248 1 . 1 1 51 51 SER H H 51 8.248 8.248 8.457 -0.209 25564 249 1 . 1 1 52 52 SER HA H 52 4.795 4.795 5.531 -0.736 25564 250 1 . 1 1 52 52 SER C C 52 173.840 173.840 173.822 0.018 25564 251 1 . 1 1 52 52 SER CA C 52 58.319 58.319 57.341 0.978 25564 252 1 . 1 1 52 52 SER CB C 52 65.231 65.231 65.936 -0.705 25564 253 1 . 1 1 53 53 THR N N 53 121.052 121.052 118.636 2.416 25564 254 1 . 1 1 53 53 THR HA H 53 4.294 4.294 4.426 -0.132 25564 255 1 . 1 1 53 53 THR C C 53 171.241 171.241 171.762 -0.521 25564 256 1 . 1 1 53 53 THR CA C 53 62.799 62.799 61.457 1.342 25564 257 1 . 1 1 53 53 THR CB C 53 70.995 70.995 72.139 -1.144 25564 258 1 . 1 1 53 53 THR H H 53 8.344 8.344 8.459 -0.115 25564 259 1 . 1 1 54 54 GLU N N 54 125.190 125.190 125.277 -0.087 25564 260 1 . 1 1 54 54 GLU HA H 54 5.614 5.614 5.557 0.057 25564 261 1 . 1 1 54 54 GLU C C 54 175.175 175.175 175.451 -0.276 25564 262 1 . 1 1 54 54 GLU CA C 54 54.512 54.512 54.296 0.216 25564 263 1 . 1 1 54 54 GLU CB C 54 33.671 33.671 31.505 2.166 25564 264 1 . 1 1 54 54 GLU H H 54 8.458 8.458 8.465 -0.007 25564 265 1 . 1 1 55 55 LEU N N 55 125.745 125.745 126.447 -0.702 25564 266 1 . 1 1 55 55 LEU HA H 55 4.855 4.855 4.702 0.153 25564 267 1 . 1 1 55 55 LEU C C 55 175.121 175.121 175.115 0.006 25564 268 1 . 1 1 55 55 LEU CA C 55 54.006 54.006 53.907 0.099 25564 269 1 . 1 1 55 55 LEU CB C 55 45.736 45.736 44.815 0.921 25564 270 1 . 1 1 55 55 LEU H H 55 9.755 9.755 8.713 1.042 25564 271 1 . 1 1 56 56 ASN N N 56 120.517 120.517 120.130 0.387 25564 272 1 . 1 1 56 56 ASN HA H 56 5.564 5.564 5.697 -0.133 25564 273 1 . 1 1 56 56 ASN C C 56 174.180 174.180 174.214 -0.034 25564 274 1 . 1 1 56 56 ASN CA C 56 53.275 53.275 52.302 0.973 25564 275 1 . 1 1 56 56 ASN CB C 56 41.451 41.451 40.082 1.369 25564 276 1 . 1 1 56 56 ASN H H 56 8.727 8.727 8.510 0.217 25564 277 1 . 1 1 57 57 LEU N N 57 123.534 123.534 125.926 -2.392 25564 278 1 . 1 1 57 57 LEU HA H 57 5.135 5.135 5.064 0.071 25564 279 1 . 1 1 57 57 LEU C C 57 174.960 174.960 174.988 -0.028 25564 280 1 . 1 1 57 57 LEU CA C 57 52.125 52.125 51.611 0.514 25564 281 1 . 1 1 57 57 LEU CB C 57 44.808 44.808 44.407 0.400 25564 282 1 . 1 1 57 57 LEU H H 57 9.075 9.075 8.730 0.345 25564 283 1 . 1 1 58 58 PRO HA H 58 5.055 5.055 4.575 0.480 25564 284 1 . 1 1 58 58 PRO C C 58 176.897 176.897 178.397 -1.500 25564 285 1 . 1 1 58 58 PRO CA C 58 62.590 62.590 62.598 -0.009 25564 286 1 . 1 1 58 58 PRO CB C 58 33.867 33.867 32.177 1.690 25564 287 1 . 1 1 59 59 GLU N N 59 117.522 117.522 120.629 -3.107 25564 288 1 . 1 1 59 59 GLU HA H 59 3.981 3.981 4.116 -0.135 25564 289 1 . 1 1 59 59 GLU C C 59 175.246 175.246 176.734 -1.488 25564 290 1 . 1 1 59 59 GLU CA C 59 58.905 58.905 59.825 -0.920 25564 291 1 . 1 1 59 59 GLU CB C 59 28.924 28.924 28.889 0.035 25564 292 1 . 1 1 59 59 GLU H H 59 8.905 8.905 8.797 0.108 25564 293 1 . 1 1 60 60 THR N N 60 106.153 106.153 111.989 -5.836 25564 294 1 . 1 1 60 60 THR HA H 60 4.155 4.155 4.412 -0.257 25564 295 1 . 1 1 60 60 THR C C 60 175.087 175.087 173.511 1.576 25564 296 1 . 1 1 60 60 THR CA C 60 61.646 61.646 60.577 1.069 25564 297 1 . 1 1 60 60 THR CB C 60 69.638 69.638 68.056 1.582 25564 298 1 . 1 1 60 60 THR H H 60 7.056 7.056 7.877 -0.821 25564 299 1 . 1 1 61 61 ALA N N 61 125.590 125.590 124.016 1.574 25564 300 1 . 1 1 61 61 ALA HA H 61 4.350 4.350 4.258 0.092 25564 301 1 . 1 1 61 61 ALA C C 61 176.988 176.988 175.905 1.083 25564 302 1 . 1 1 61 61 ALA CA C 61 53.470 53.470 51.994 1.476 25564 303 1 . 1 1 61 61 ALA CB C 61 21.224 21.224 20.071 1.153 25564 304 1 . 1 1 61 61 ALA H H 61 7.808 7.808 8.229 -0.421 25564 305 1 . 1 1 62 62 ASN HA H 62 3.663 3.663 3.661 0.002 25564 306 1 . 1 1 62 62 ASN C C 62 171.666 171.666 172.607 -0.941 25564 307 1 . 1 1 62 62 ASN CA C 62 52.178 52.178 52.142 0.036 25564 308 1 . 1 1 62 62 ASN CB C 62 39.676 39.676 40.044 -0.368 25564 309 1 . 1 1 63 63 SER N N 63 109.802 109.802 113.873 -4.071 25564 310 1 . 1 1 63 63 SER HA H 63 4.341 4.341 4.521 -0.180 25564 311 1 . 1 1 63 63 SER C C 63 172.378 172.378 172.494 -0.116 25564 312 1 . 1 1 63 63 SER CA C 63 56.541 56.541 57.272 -0.731 25564 313 1 . 1 1 63 63 SER CB C 63 65.498 65.498 65.311 0.187 25564 314 1 . 1 1 63 63 SER H H 63 6.764 6.764 6.716 0.048 25564 315 1 . 1 1 64 64 VAL N N 64 117.873 117.873 122.263 -4.390 25564 316 1 . 1 1 64 64 VAL HA H 64 4.440 4.440 4.469 -0.029 25564 317 1 . 1 1 64 64 VAL C C 64 171.395 171.395 174.358 -2.963 25564 318 1 . 1 1 64 64 VAL CA C 64 60.744 60.744 59.582 1.162 25564 319 1 . 1 1 64 64 VAL CB C 64 35.091 35.091 35.315 -0.224 25564 320 1 . 1 1 64 64 VAL H H 64 8.793 8.793 8.787 0.006 25564 321 1 . 1 1 65 65 THR N N 65 123.328 123.328 124.820 -1.492 25564 322 1 . 1 1 65 65 THR HA H 65 4.703 4.703 4.549 0.154 25564 323 1 . 1 1 65 65 THR C C 65 173.608 173.608 174.102 -0.494 25564 324 1 . 1 1 65 65 THR CA C 65 62.094 62.094 62.218 -0.123 25564 325 1 . 1 1 65 65 THR CB C 65 69.754 69.754 68.447 1.307 25564 326 1 . 1 1 65 65 THR H H 65 8.377 8.377 8.505 -0.128 25564 327 1 . 1 1 66 66 LEU N N 66 130.029 130.029 127.953 2.076 25564 328 1 . 1 1 66 66 LEU HA H 66 4.351 4.351 4.228 0.123 25564 329 1 . 1 1 66 66 LEU C C 66 174.738 174.738 176.225 -1.487 25564 330 1 . 1 1 66 66 LEU CA C 66 53.558 53.558 54.577 -1.019 25564 331 1 . 1 1 66 66 LEU CB C 66 41.206 41.206 41.932 -0.726 25564 332 1 . 1 1 66 66 LEU H H 66 9.232 9.232 8.603 0.629 25564 333 1 . 1 1 67 67 SER N N 67 117.107 117.107 115.080 2.027 25564 334 1 . 1 1 67 67 SER HA H 67 4.936 4.936 5.056 -0.120 25564 335 1 . 1 1 67 67 SER C C 67 172.509 172.509 173.986 -1.477 25564 336 1 . 1 1 67 67 SER CA C 67 57.340 57.340 56.754 0.586 25564 337 1 . 1 1 67 67 SER CB C 67 66.115 66.115 66.023 0.092 25564 338 1 . 1 1 67 67 SER H H 67 8.174 8.174 8.293 -0.119 25564 339 1 . 1 1 68 68 ASP N N 68 116.924 116.924 119.099 -2.175 25564 340 1 . 1 1 68 68 ASP HA H 68 4.354 4.354 4.304 0.050 25564 341 1 . 1 1 68 68 ASP C C 68 175.654 175.654 175.241 0.413 25564 342 1 . 1 1 68 68 ASP CA C 68 55.602 55.602 55.595 0.008 25564 343 1 . 1 1 68 68 ASP CB C 68 39.714 39.714 39.893 -0.179 25564 344 1 . 1 1 68 68 ASP H H 68 9.003 9.003 8.325 0.678 25564 345 1 . 1 1 69 69 LEU N N 69 116.713 116.713 116.414 0.299 25564 346 1 . 1 1 69 69 LEU HA H 69 4.336 4.336 4.250 0.086 25564 347 1 . 1 1 69 69 LEU C C 69 175.793 175.793 176.848 -1.055 25564 348 1 . 1 1 69 69 LEU CA C 69 53.547 53.547 54.955 -1.408 25564 349 1 . 1 1 69 69 LEU CB C 69 41.034 41.034 42.593 -1.559 25564 350 1 . 1 1 69 69 LEU H H 69 8.605 8.605 7.131 1.474 25564 351 1 . 1 1 70 70 GLN N N 70 118.301 118.301 118.457 -0.156 25564 352 1 . 1 1 70 70 GLN HA H 70 4.766 4.766 4.829 -0.063 25564 353 1 . 1 1 70 70 GLN C C 70 174.178 174.178 173.784 0.394 25564 354 1 . 1 1 70 70 GLN CA C 70 52.948 52.948 52.326 0.622 25564 355 1 . 1 1 70 70 GLN CB C 70 30.626 30.626 31.323 -0.697 25564 356 1 . 1 1 70 70 GLN H H 70 8.288 8.288 8.532 -0.244 25564 357 1 . 1 1 71 71 PRO HA H 71 5.252 5.252 4.215 1.037 25564 358 1 . 1 1 71 71 PRO C C 71 177.837 177.837 177.437 0.400 25564 359 1 . 1 1 71 71 PRO CA C 71 63.098 63.098 63.757 -0.659 25564 360 1 . 1 1 71 71 PRO CB C 71 33.393 33.393 31.567 1.826 25564 361 1 . 1 1 72 72 GLY N N 72 111.077 111.077 111.667 -0.590 25564 362 1 . 1 1 72 72 GLY C C 72 174.621 174.621 173.403 1.218 25564 363 1 . 1 1 72 72 GLY CA C 72 47.226 47.226 45.233 1.993 25564 364 1 . 1 1 72 72 GLY H H 72 7.348 7.348 8.455 -1.107 25564 365 1 . 1 1 73 73 VAL N N 73 120.434 120.434 118.962 1.472 25564 366 1 . 1 1 73 73 VAL HA H 73 4.112 4.112 4.349 -0.237 25564 367 1 . 1 1 73 73 VAL C C 73 173.963 173.963 174.560 -0.597 25564 368 1 . 1 1 73 73 VAL CA C 73 61.694 61.694 60.725 0.969 25564 369 1 . 1 1 73 73 VAL CB C 73 35.423 35.423 35.568 -0.145 25564 370 1 . 1 1 73 73 VAL H H 73 7.670 7.670 8.284 -0.614 25564 371 1 . 1 1 74 74 GLN N N 74 123.606 123.606 124.998 -1.392 25564 372 1 . 1 1 74 74 GLN HA H 74 4.207 4.207 4.484 -0.277 25564 373 1 . 1 1 74 74 GLN C C 74 174.283 174.283 174.533 -0.250 25564 374 1 . 1 1 74 74 GLN CA C 74 56.505 56.505 55.420 1.085 25564 375 1 . 1 1 74 74 GLN CB C 74 30.475 30.475 28.964 1.511 25564 376 1 . 1 1 74 74 GLN H H 74 8.263 8.263 8.690 -0.427 25564 377 1 . 1 1 75 75 TYR N N 75 127.153 127.153 127.549 -0.396 25564 378 1 . 1 1 75 75 TYR HA H 75 4.740 4.740 4.805 -0.065 25564 379 1 . 1 1 75 75 TYR C C 75 174.412 174.412 174.685 -0.273 25564 380 1 . 1 1 75 75 TYR CA C 75 59.183 59.183 57.337 1.846 25564 381 1 . 1 1 75 75 TYR CB C 75 40.881 40.881 40.622 0.259 25564 382 1 . 1 1 75 75 TYR H H 75 8.916 8.916 9.027 -0.111 25564 383 1 . 1 1 76 76 ASN N N 76 120.363 120.363 123.940 -3.577 25564 384 1 . 1 1 76 76 ASN HA H 76 5.193 5.193 5.016 0.177 25564 385 1 . 1 1 76 76 ASN C C 76 174.903 174.903 174.402 0.501 25564 386 1 . 1 1 76 76 ASN CA C 76 52.839 52.839 53.272 -0.433 25564 387 1 . 1 1 76 76 ASN CB C 76 40.339 40.339 39.156 1.183 25564 388 1 . 1 1 76 76 ASN H H 76 9.014 9.014 8.914 0.100 25564 389 1 . 1 1 77 77 ILE N N 77 127.376 127.376 127.807 -0.431 25564 390 1 . 1 1 77 77 ILE HA H 77 4.648 4.648 4.394 0.254 25564 391 1 . 1 1 77 77 ILE C C 77 173.510 173.510 175.148 -1.638 25564 392 1 . 1 1 77 77 ILE CA C 77 61.356 61.356 61.210 0.146 25564 393 1 . 1 1 77 77 ILE CB C 77 40.911 40.911 38.165 2.746 25564 394 1 . 1 1 77 77 ILE H H 77 9.466 9.466 9.006 0.460 25564 395 1 . 1 1 78 78 THR N N 78 124.282 124.282 126.570 -2.288 25564 396 1 . 1 1 78 78 THR HA H 78 5.117 5.117 5.463 -0.346 25564 397 1 . 1 1 78 78 THR C C 78 173.140 173.140 173.725 -0.585 25564 398 1 . 1 1 78 78 THR CA C 78 61.961 61.961 61.009 0.952 25564 399 1 . 1 1 78 78 THR CB C 78 70.244 70.244 69.625 0.619 25564 400 1 . 1 1 78 78 THR H H 78 9.535 9.535 8.776 0.759 25564 401 1 . 1 1 79 79 ILE N N 79 125.033 125.033 126.163 -1.130 25564 402 1 . 1 1 79 79 ILE HA H 79 4.591 4.591 4.199 0.392 25564 403 1 . 1 1 79 79 ILE C C 79 173.827 173.827 174.758 -0.931 25564 404 1 . 1 1 79 79 ILE CA C 79 60.748 60.748 58.339 2.409 25564 405 1 . 1 1 79 79 ILE CB C 79 41.270 41.270 38.102 3.168 25564 406 1 . 1 1 79 79 ILE H H 79 8.974 8.974 8.341 0.633 25564 407 1 . 1 1 80 80 TYR N N 80 122.647 122.647 124.723 -2.076 25564 408 1 . 1 1 80 80 TYR HA H 80 4.519 4.519 4.592 -0.073 25564 409 1 . 1 1 80 80 TYR C C 80 177.072 177.072 174.023 3.049 25564 410 1 . 1 1 80 80 TYR CA C 80 56.401 56.401 55.860 0.541 25564 411 1 . 1 1 80 80 TYR CB C 80 40.900 40.900 40.041 0.859 25564 412 1 . 1 1 80 80 TYR H H 80 9.137 9.137 8.895 0.242 25564 413 1 . 1 1 81 81 ALA N N 81 124.412 124.412 127.804 -3.392 25564 414 1 . 1 1 81 81 ALA HA H 81 4.753 4.753 3.435 1.318 25564 415 1 . 1 1 81 81 ALA C C 81 175.811 175.811 175.176 0.635 25564 416 1 . 1 1 81 81 ALA CA C 81 51.657 51.657 50.886 0.771 25564 417 1 . 1 1 81 81 ALA CB C 81 21.316 21.316 19.121 2.195 25564 418 1 . 1 1 81 81 ALA H H 81 8.764 8.764 8.726 0.038 25564 419 1 . 1 1 82 82 VAL N N 82 120.278 120.278 124.502 -4.224 25564 420 1 . 1 1 82 82 VAL HA H 82 4.613 4.613 4.446 0.167 25564 421 1 . 1 1 82 82 VAL C C 82 174.662 174.662 174.190 0.472 25564 422 1 . 1 1 82 82 VAL CA C 82 61.179 61.179 60.181 0.998 25564 423 1 . 1 1 82 82 VAL CB C 82 34.671 34.671 35.020 -0.349 25564 424 1 . 1 1 82 82 VAL H H 82 8.276 8.276 8.497 -0.221 25564 425 1 . 1 1 83 83 GLU N N 83 127.125 127.125 127.504 -0.379 25564 426 1 . 1 1 83 83 GLU HA H 83 4.537 4.537 4.721 -0.184 25564 427 1 . 1 1 83 83 GLU C C 83 175.133 175.133 176.472 -1.339 25564 428 1 . 1 1 83 83 GLU CA C 83 56.000 56.000 54.449 1.552 25564 429 1 . 1 1 83 83 GLU CB C 83 31.716 31.716 31.510 0.206 25564 430 1 . 1 1 83 83 GLU H H 83 8.849 8.849 8.708 0.141 25564 431 1 . 1 1 84 84 GLU N N 84 125.009 125.009 121.177 3.832 25564 432 1 . 1 1 84 84 GLU HA H 84 3.682 3.682 3.979 -0.297 25564 433 1 . 1 1 84 84 GLU C C 84 174.988 174.988 177.164 -2.176 25564 434 1 . 1 1 84 84 GLU CA C 84 59.362 59.362 59.540 -0.178 25564 435 1 . 1 1 84 84 GLU CB C 84 27.722 27.722 29.705 -1.983 25564 436 1 . 1 1 84 84 GLU H H 84 8.952 8.952 8.938 0.014 25564 437 1 . 1 1 85 85 ASN N N 85 119.010 119.010 113.807 5.203 25564 438 1 . 1 1 85 85 ASN HA H 85 4.706 4.706 4.767 -0.061 25564 439 1 . 1 1 85 85 ASN C C 85 174.499 174.499 174.278 0.221 25564 440 1 . 1 1 85 85 ASN CA C 85 53.953 53.953 53.458 0.495 25564 441 1 . 1 1 85 85 ASN CB C 85 39.030 39.030 39.513 -0.483 25564 442 1 . 1 1 85 85 ASN H H 85 8.412 8.412 8.425 -0.013 25564 443 1 . 1 1 86 86 GLN N N 86 119.080 119.080 118.264 0.816 25564 444 1 . 1 1 86 86 GLN HA H 86 4.604 4.604 4.633 -0.030 25564 445 1 . 1 1 86 86 GLN C C 86 174.270 174.270 173.742 0.528 25564 446 1 . 1 1 86 86 GLN CA C 86 55.292 55.292 54.534 0.758 25564 447 1 . 1 1 86 86 GLN CB C 86 32.011 32.011 32.302 -0.291 25564 448 1 . 1 1 86 86 GLN H H 86 8.086 8.086 7.557 0.529 25564 449 1 . 1 1 87 87 GLU N N 87 120.589 120.589 119.465 1.124 25564 450 1 . 1 1 87 87 GLU HA H 87 5.214 5.214 4.789 0.425 25564 451 1 . 1 1 87 87 GLU C C 87 176.092 176.092 175.798 0.294 25564 452 1 . 1 1 87 87 GLU CA C 87 54.722 54.722 55.282 -0.560 25564 453 1 . 1 1 87 87 GLU CB C 87 33.715 33.715 32.540 1.175 25564 454 1 . 1 1 87 87 GLU H H 87 8.498 8.498 8.588 -0.090 25564 455 1 . 1 1 88 88 SER N N 88 116.013 116.013 120.764 -4.751 25564 456 1 . 1 1 88 88 SER HA H 88 4.547 4.547 4.502 0.045 25564 457 1 . 1 1 88 88 SER C C 88 175.202 175.202 175.230 -0.028 25564 458 1 . 1 1 88 88 SER CA C 88 58.211 58.211 59.027 -0.816 25564 459 1 . 1 1 88 88 SER CB C 88 66.959 66.959 64.209 2.750 25564 460 1 . 1 1 88 88 SER H H 88 8.954 8.954 8.831 0.123 25564 461 1 . 1 1 89 89 THR N N 89 114.798 114.798 114.318 0.480 25564 462 1 . 1 1 89 89 THR HA H 89 4.520 4.520 4.350 0.170 25564 463 1 . 1 1 89 89 THR C C 89 173.754 173.754 173.186 0.568 25564 464 1 . 1 1 89 89 THR CA C 89 61.673 61.673 61.347 0.326 25564 465 1 . 1 1 89 89 THR CB C 89 69.286 69.286 68.356 0.930 25564 466 1 . 1 1 89 89 THR H H 89 8.559 8.559 8.327 0.232 25564 467 1 . 1 1 90 90 PRO HA H 90 4.155 4.155 4.561 -0.406 25564 468 1 . 1 1 90 90 PRO C C 90 177.970 177.970 176.312 1.658 25564 469 1 . 1 1 90 90 PRO CA C 90 62.725 62.725 61.632 1.093 25564 470 1 . 1 1 90 90 PRO CB C 90 32.403 32.403 32.896 -0.493 25564 471 1 . 1 1 91 91 VAL N N 91 120.679 120.679 124.084 -3.405 25564 472 1 . 1 1 91 91 VAL HA H 91 4.277 4.277 3.986 0.291 25564 473 1 . 1 1 91 91 VAL C C 91 173.958 173.958 174.791 -0.833 25564 474 1 . 1 1 91 91 VAL CA C 91 61.598 61.598 62.311 -0.713 25564 475 1 . 1 1 91 91 VAL CB C 91 33.947 33.947 32.596 1.351 25564 476 1 . 1 1 91 91 VAL H H 91 8.189 8.189 8.474 -0.285 25564 477 1 . 1 1 92 92 VAL N N 92 125.593 125.593 127.838 -2.245 25564 478 1 . 1 1 92 92 VAL HA H 92 5.007 5.007 4.661 0.346 25564 479 1 . 1 1 92 92 VAL C C 92 176.045 176.045 175.416 0.629 25564 480 1 . 1 1 92 92 VAL CA C 92 61.361 61.361 61.062 0.299 25564 481 1 . 1 1 92 92 VAL CB C 92 34.134 34.134 32.149 1.985 25564 482 1 . 1 1 92 92 VAL H H 92 8.300 8.300 8.450 -0.150 25564 483 1 . 1 1 93 93 ILE N N 93 127.733 127.733 124.744 2.989 25564 484 1 . 1 1 93 93 ILE HA H 93 4.416 4.416 4.684 -0.268 25564 485 1 . 1 1 93 93 ILE C C 93 174.071 174.071 174.477 -0.406 25564 486 1 . 1 1 93 93 ILE CA C 93 59.838 59.838 59.824 0.014 25564 487 1 . 1 1 93 93 ILE CB C 93 42.232 42.232 39.534 2.698 25564 488 1 . 1 1 93 93 ILE H H 93 9.471 9.471 8.986 0.485 25564 489 1 . 1 1 94 94 GLN N N 94 123.610 123.610 127.090 -3.480 25564 490 1 . 1 1 94 94 GLN HA H 94 5.541 5.541 5.079 0.462 25564 491 1 . 1 1 94 94 GLN C C 94 175.328 175.328 175.247 0.081 25564 492 1 . 1 1 94 94 GLN CA C 94 54.582 54.582 54.441 0.141 25564 493 1 . 1 1 94 94 GLN CB C 94 32.029 32.029 29.979 2.050 25564 494 1 . 1 1 94 94 GLN H H 94 8.522 8.522 8.663 -0.141 25564 495 1 . 1 1 95 95 GLN N N 95 123.044 123.044 124.000 -0.956 25564 496 1 . 1 1 95 95 GLN HA H 95 4.510 4.510 4.661 -0.151 25564 497 1 . 1 1 95 95 GLN C C 95 173.530 173.530 174.404 -0.874 25564 498 1 . 1 1 95 95 GLN CA C 95 54.922 54.922 54.455 0.467 25564 499 1 . 1 1 95 95 GLN CB C 95 32.523 32.523 32.723 -0.200 25564 500 1 . 1 1 95 95 GLN H H 95 8.893 8.893 8.989 -0.096 25564 501 1 . 1 1 96 96 GLU N N 96 128.881 128.881 125.871 3.010 25564 502 1 . 1 1 96 96 GLU HA H 96 5.743 5.743 4.867 0.876 25564 503 1 . 1 1 96 96 GLU C C 96 178.926 178.926 176.651 2.275 25564 504 1 . 1 1 96 96 GLU CA C 96 54.819 54.819 55.385 -0.566 25564 505 1 . 1 1 96 96 GLU CB C 96 31.525 31.525 30.814 0.711 25564 506 1 . 1 1 96 96 GLU H H 96 8.913 8.913 8.722 0.191 25564 507 1 . 1 1 97 97 THR N N 97 116.022 116.022 119.314 -3.292 25564 508 1 . 1 1 97 97 THR HA H 97 4.344 4.344 4.360 -0.016 25564 509 1 . 1 1 97 97 THR C C 97 176.660 176.660 175.637 1.023 25564 510 1 . 1 1 97 97 THR CA C 97 61.453 61.453 62.853 -1.400 25564 511 1 . 1 1 97 97 THR CB C 97 69.742 69.742 69.386 0.356 25564 512 1 . 1 1 97 97 THR H H 97 8.740 8.740 8.854 -0.114 25564 513 1 . 1 1 98 98 THR N N 98 110.068 110.068 120.747 -10.679 25564 514 1 . 1 1 98 98 THR HA H 98 4.270 4.270 4.141 0.129 25564 515 1 . 1 1 98 98 THR C C 98 173.859 173.859 175.265 -1.406 25564 516 1 . 1 1 98 98 THR CA C 98 62.659 62.659 64.399 -1.740 25564 517 1 . 1 1 98 98 THR CB C 98 69.654 69.654 69.033 0.621 25564 518 1 . 1 1 98 98 THR H H 98 7.287 7.287 8.615 -1.328 25564 519 1 . 1 1 99 99 GLY N N 99 103.540 103.540 109.371 -5.831 25564 520 1 . 1 1 99 99 GLY C C 99 174.225 174.225 173.191 1.034 25564 521 1 . 1 1 99 99 GLY CA C 99 44.955 44.955 44.756 0.199 25564 522 1 . 1 1 99 99 GLY H H 99 8.033 8.033 7.576 0.457 25564 523 1 . 1 1 100 100 THR N N 100 114.887 114.887 118.161 -3.274 25564 524 1 . 1 1 100 100 THR HA H 100 4.623 4.623 4.593 0.030 25564 525 1 . 1 1 100 100 THR C C 100 172.336 172.336 173.189 -0.853 25564 526 1 . 1 1 100 100 THR CA C 100 59.775 59.775 60.844 -1.069 25564 527 1 . 1 1 100 100 THR CB C 100 70.644 70.644 69.138 1.506 25564 528 1 . 1 1 100 100 THR H H 100 8.055 8.055 8.207 -0.152 25564 529 1 . 1 1 101 101 PRO HA H 101 4.499 4.499 4.353 0.146 25564 530 1 . 1 1 101 101 PRO C C 101 177.344 177.344 176.353 0.991 25564 531 1 . 1 1 101 101 PRO CA C 101 63.108 63.108 63.496 -0.388 25564 532 1 . 1 1 101 101 PRO CB C 101 32.286 32.286 31.494 0.792 25564 533 1 . 1 1 102 102 ARG N N 102 122.476 122.476 122.867 -0.391 25564 534 1 . 1 1 102 102 ARG HA H 102 4.314 4.314 4.360 -0.046 25564 535 1 . 1 1 102 102 ARG C C 102 176.790 176.790 176.032 0.758 25564 536 1 . 1 1 102 102 ARG CA C 102 56.404 56.404 56.243 0.161 25564 537 1 . 1 1 102 102 ARG CB C 102 31.265 31.265 30.360 0.905 25564 538 1 . 1 1 102 102 ARG H H 102 8.771 8.771 8.289 0.482 25564 539 1 . 1 1 103 103 SER HA H 103 4.523 4.523 4.386 0.137 25564 540 1 . 1 1 103 103 SER CA C 103 58.311 58.311 59.001 -0.690 25564 541 1 . 1 1 103 103 SER CB C 103 64.168 64.168 63.248 0.920 25564 542 1 . 1 1 104 104 ASP N N 104 122.461 122.461 121.128 1.333 25564 543 1 . 1 1 104 104 ASP HA H 104 4.648 4.648 4.668 -0.020 25564 544 1 . 1 1 104 104 ASP CA C 104 54.566 54.566 54.238 0.328 25564 545 1 . 1 1 104 104 ASP CB C 104 41.383 41.383 41.503 -0.120 25564 546 1 . 1 1 104 104 ASP H H 104 8.418 8.418 8.190 0.228 25564 547 1 . 1 1 105 105 GLY N N 105 109.250 109.250 109.800 -0.550 25564 548 1 . 1 1 105 105 GLY C C 105 173.987 173.987 174.099 -0.112 25564 549 1 . 1 1 105 105 GLY CA C 105 45.773 45.773 45.254 0.519 25564 550 1 . 1 1 105 105 GLY H H 105 8.390 8.390 8.361 0.029 25564 stop_ save_