data_25125 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25125 _Entry.PDB_ID 2MSL 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 25125 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.100 0.333 25125 2 1 1 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.574 -1.010 25125 3 1 1 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.964 2.636 25125 4 1 1 . 1 1 3 3 ARG N N 3 121.252 121.252 117.852 3.400 25125 5 1 1 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.281 0.084 25125 6 1 1 . 1 1 3 3 ARG C C 3 175.634 175.634 175.060 0.574 25125 7 1 1 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.026 -0.035 25125 8 1 1 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.147 1.150 25125 9 1 1 . 1 1 3 3 ARG H H 3 8.429 8.429 8.089 0.339 25125 10 1 1 . 1 1 4 4 GLY N N 4 107.663 107.663 107.947 -0.284 25125 11 1 1 . 1 1 4 4 GLY C C 4 171.041 171.041 173.389 -2.348 25125 12 1 1 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.391 0.925 25125 13 1 1 . 1 1 4 4 GLY H H 4 7.963 7.963 7.730 0.233 25125 14 1 1 . 1 1 5 5 ILE N N 5 122.603 122.603 124.533 -1.930 25125 15 1 1 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.041 0.658 25125 16 1 1 . 1 1 5 5 ILE C C 5 175.359 175.359 175.056 0.303 25125 17 1 1 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.620 -1.010 25125 18 1 1 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.322 0.254 25125 19 1 1 . 1 1 5 5 ILE H H 5 9.610 9.610 8.177 1.433 25125 20 1 1 . 1 1 6 6 VAL N N 6 127.905 127.905 124.652 3.253 25125 21 1 1 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.090 -0.278 25125 22 1 1 . 1 1 6 6 VAL C C 6 174.204 174.204 175.657 -1.453 25125 23 1 1 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.282 -0.723 25125 24 1 1 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.276 1.250 25125 25 1 1 . 1 1 6 6 VAL H H 6 9.090 9.090 7.895 1.195 25125 26 1 1 . 1 1 7 7 TRP N N 7 127.467 127.467 127.711 -0.244 25125 27 1 1 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.357 1.097 25125 28 1 1 . 1 1 7 7 TRP C C 7 175.056 175.056 175.272 -0.216 25125 29 1 1 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.333 -1.454 25125 30 1 1 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.643 0.491 25125 31 1 1 . 1 1 7 7 TRP H H 7 8.497 8.497 8.322 0.175 25125 32 1 1 . 1 1 8 8 VAL N N 8 122.068 122.068 116.466 5.602 25125 33 1 1 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.565 0.521 25125 34 1 1 . 1 1 8 8 VAL C C 8 173.874 173.874 174.351 -0.477 25125 35 1 1 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.060 -0.574 25125 36 1 1 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.865 -0.151 25125 37 1 1 . 1 1 8 8 VAL H H 8 8.583 8.583 9.414 -0.831 25125 38 1 1 . 1 1 9 9 VAL N N 9 127.733 127.733 125.452 2.281 25125 39 1 1 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.595 0.366 25125 40 1 1 . 1 1 9 9 VAL C C 9 173.131 173.131 173.473 -0.342 25125 41 1 1 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.005 -1.329 25125 42 1 1 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.641 0.270 25125 43 1 1 . 1 1 9 9 VAL H H 9 9.107 9.107 8.509 0.598 25125 44 1 1 . 1 1 10 10 ASP N N 10 124.306 124.306 125.093 -0.787 25125 45 1 1 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.941 -0.372 25125 46 1 1 . 1 1 10 10 ASP C C 10 175.029 175.029 174.937 0.092 25125 47 1 1 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.200 2.547 25125 48 1 1 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.949 0.161 25125 49 1 1 . 1 1 10 10 ASP H H 10 7.775 7.775 7.721 0.054 25125 50 1 1 . 1 1 11 11 ASP N N 11 126.714 126.714 118.571 8.143 25125 51 1 1 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.824 -0.289 25125 52 1 1 . 1 1 11 11 ASP C C 11 175.689 175.689 175.032 0.657 25125 53 1 1 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.906 1.812 25125 54 1 1 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.194 0.880 25125 55 1 1 . 1 1 11 11 ASP H H 11 9.033 9.033 8.647 0.386 25125 56 1 1 . 1 1 12 12 ASP N N 12 121.877 121.877 119.449 2.428 25125 57 1 1 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.893 -0.247 25125 58 1 1 . 1 1 12 12 ASP C C 12 177.036 177.036 176.168 0.868 25125 59 1 1 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.355 -0.052 25125 60 1 1 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.313 -3.149 25125 61 1 1 . 1 1 12 12 ASP H H 12 9.570 9.570 7.673 1.897 25125 62 1 1 . 1 1 13 13 SER N N 13 123.799 123.799 118.822 4.977 25125 63 1 1 . 1 1 13 13 SER HA H 13 3.761 3.761 4.267 -0.506 25125 64 1 1 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125 65 1 1 . 1 1 13 13 SER CA C 13 61.186 61.186 61.803 -0.617 25125 66 1 1 . 1 1 13 13 SER CB C 13 62.749 62.749 63.526 -0.777 25125 67 1 1 . 1 1 13 13 SER H H 13 8.850 8.850 8.823 0.027 25125 68 1 1 . 1 1 14 14 SER N N 14 119.123 119.123 117.645 1.478 25125 69 1 1 . 1 1 14 14 SER HA H 14 4.361 4.361 4.376 -0.015 25125 70 1 1 . 1 1 14 14 SER C C 14 176.404 176.404 176.628 -0.224 25125 71 1 1 . 1 1 14 14 SER CA C 14 61.730 61.730 60.962 0.768 25125 72 1 1 . 1 1 14 14 SER CB C 14 62.548 62.548 62.575 -0.027 25125 73 1 1 . 1 1 14 14 SER H H 14 8.531 8.531 8.870 -0.339 25125 74 1 1 . 1 1 15 15 ILE N N 15 123.637 123.637 121.051 2.586 25125 75 1 1 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.984 -0.039 25125 76 1 1 . 1 1 15 15 ILE C C 15 177.861 177.861 177.560 0.301 25125 77 1 1 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.506 -1.306 25125 78 1 1 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.199 -1.313 25125 79 1 1 . 1 1 15 15 ILE H H 15 7.206 7.206 8.155 -0.949 25125 80 1 1 . 1 1 16 16 ARG N N 16 116.694 116.694 120.204 -3.510 25125 81 1 1 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.375 -0.652 25125 82 1 1 . 1 1 16 16 ARG C C 16 177.448 177.448 178.507 -1.059 25125 83 1 1 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.644 2.929 25125 84 1 1 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.825 0.622 25125 85 1 1 . 1 1 16 16 ARG H H 16 7.562 7.562 7.423 0.139 25125 86 1 1 . 1 1 17 17 TRP N N 17 116.848 116.848 123.075 -6.227 25125 87 1 1 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.220 0.251 25125 88 1 1 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.786 -1.346 25125 89 1 1 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.571 -0.279 25125 90 1 1 . 1 1 17 17 TRP H H 17 8.005 8.005 8.711 -0.706 25125 91 1 1 . 1 1 18 18 VAL N N 18 116.964 116.964 115.431 1.533 25125 92 1 1 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.715 0.960 25125 93 1 1 . 1 1 18 18 VAL C C 18 179.181 179.181 177.795 1.386 25125 94 1 1 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.444 0.264 25125 95 1 1 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.069 0.568 25125 96 1 1 . 1 1 18 18 VAL H H 18 8.110 8.110 7.525 0.585 25125 97 1 1 . 1 1 19 19 LEU N N 19 120.186 120.186 118.620 1.566 25125 98 1 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.067 0.008 25125 99 1 1 . 1 1 19 19 LEU C C 19 177.778 177.778 179.289 -1.511 25125 100 1 1 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.167 0.655 25125 101 1 1 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.462 0.319 25125 102 1 1 . 1 1 19 19 LEU H H 19 8.073 8.073 7.555 0.518 25125 103 1 1 . 1 1 20 20 GLU N N 20 120.193 120.193 120.673 -0.480 25125 104 1 1 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.083 -0.142 25125 105 1 1 . 1 1 20 20 GLU C C 20 178.603 178.603 178.664 -0.061 25125 106 1 1 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.389 1.221 25125 107 1 1 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.917 -0.829 25125 108 1 1 . 1 1 20 20 GLU H H 20 8.387 8.387 8.187 0.200 25125 109 1 1 . 1 1 21 21 ARG N N 21 116.076 116.076 118.847 -2.771 25125 110 1 1 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.878 0.015 25125 111 1 1 . 1 1 21 21 ARG C C 21 179.676 179.676 178.534 1.142 25125 112 1 1 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.950 -0.501 25125 113 1 1 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.024 0.829 25125 114 1 1 . 1 1 21 21 ARG H H 21 7.602 7.602 8.383 -0.781 25125 115 1 1 . 1 1 22 22 ALA N N 22 122.405 122.405 121.389 1.016 25125 116 1 1 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.033 0.064 25125 117 1 1 . 1 1 22 22 ALA C C 22 180.501 180.501 179.530 0.971 25125 118 1 1 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.594 -0.016 25125 119 1 1 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.238 0.994 25125 120 1 1 . 1 1 22 22 ALA H H 22 7.992 7.992 7.605 0.387 25125 121 1 1 . 1 1 23 23 LEU N N 23 118.026 118.026 117.915 0.111 25125 122 1 1 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.193 -0.192 25125 123 1 1 . 1 1 23 23 LEU C C 23 178.878 178.878 179.045 -0.167 25125 124 1 1 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.510 1.211 25125 125 1 1 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.047 -2.393 25125 126 1 1 . 1 1 23 23 LEU H H 23 8.825 8.825 7.484 1.341 25125 127 1 1 . 1 1 24 24 ALA N N 24 122.159 122.159 121.452 0.707 25125 128 1 1 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.048 0.585 25125 129 1 1 . 1 1 24 24 ALA C C 24 183.141 183.141 178.683 4.458 25125 130 1 1 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.393 0.354 25125 131 1 1 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.656 -0.954 25125 132 1 1 . 1 1 24 24 ALA H H 24 8.125 8.125 8.332 -0.207 25125 133 1 1 . 1 1 25 25 GLY N N 25 106.891 106.891 105.356 1.535 25125 134 1 1 . 1 1 25 25 GLY C C 25 174.286 174.286 174.166 0.120 25125 135 1 1 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.033 1.388 25125 136 1 1 . 1 1 25 25 GLY H H 25 7.870 7.870 7.815 0.055 25125 137 1 1 . 1 1 26 26 ALA N N 26 121.819 121.819 123.610 -1.791 25125 138 1 1 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.601 -0.102 25125 139 1 1 . 1 1 26 26 ALA C C 26 176.953 176.953 177.288 -0.335 25125 140 1 1 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.297 0.222 25125 141 1 1 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.130 -1.408 25125 142 1 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.372 -0.087 25125 143 1 1 . 1 1 27 27 GLY N N 27 106.197 106.197 106.685 -0.488 25125 144 1 1 . 1 1 27 27 GLY C C 27 173.956 173.956 173.054 0.902 25125 145 1 1 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.961 0.356 25125 146 1 1 . 1 1 27 27 GLY H H 27 7.824 7.824 8.409 -0.585 25125 147 1 1 . 1 1 28 28 LEU N N 28 120.291 120.291 118.555 1.736 25125 148 1 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125 149 1 1 . 1 1 28 28 LEU C C 28 175.881 175.881 176.043 -0.162 25125 150 1 1 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.541 0.102 25125 151 1 1 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.552 -2.067 25125 152 1 1 . 1 1 28 28 LEU H H 28 7.678 7.678 7.146 0.532 25125 153 1 1 . 1 1 29 29 THR N N 29 118.040 118.040 115.962 2.078 25125 154 1 1 . 1 1 29 29 THR HA H 29 4.335 4.335 4.305 0.030 25125 155 1 1 . 1 1 29 29 THR C C 29 173.186 173.186 174.528 -1.342 25125 156 1 1 . 1 1 29 29 THR CA C 29 62.479 62.479 64.213 -1.734 25125 157 1 1 . 1 1 29 29 THR CB C 29 69.465 69.465 69.625 -0.160 25125 158 1 1 . 1 1 29 29 THR H H 29 8.527 8.527 8.461 0.066 25125 159 1 1 . 1 1 30 30 CYS N N 30 128.387 128.387 122.623 5.764 25125 160 1 1 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.534 0.409 25125 161 1 1 . 1 1 30 30 CYS C C 30 173.846 173.846 174.154 -0.308 25125 162 1 1 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.120 0.242 25125 163 1 1 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.698 -1.218 25125 164 1 1 . 1 1 30 30 CYS H H 30 8.968 8.968 8.414 0.554 25125 165 1 1 . 1 1 31 31 THR N N 31 126.481 126.481 123.967 2.514 25125 166 1 1 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125 167 1 1 . 1 1 31 31 THR C C 31 172.609 172.609 173.271 -0.662 25125 168 1 1 . 1 1 31 31 THR CA C 31 61.951 61.951 61.485 0.466 25125 169 1 1 . 1 1 31 31 THR CB C 31 70.567 70.567 70.061 0.506 25125 170 1 1 . 1 1 31 31 THR H H 31 8.614 8.614 8.509 0.105 25125 171 1 1 . 1 1 32 32 THR N N 32 116.418 116.418 118.248 -1.830 25125 172 1 1 . 1 1 32 32 THR HA H 32 5.330 5.330 4.721 0.609 25125 173 1 1 . 1 1 32 32 THR C C 32 172.306 172.306 172.873 -0.567 25125 174 1 1 . 1 1 32 32 THR CA C 32 59.173 59.173 60.361 -1.188 25125 175 1 1 . 1 1 32 32 THR CB C 32 70.917 70.917 69.442 1.475 25125 176 1 1 . 1 1 32 32 THR H H 32 8.299 8.299 8.244 0.055 25125 177 1 1 . 1 1 33 33 PHE N N 33 118.067 118.067 124.950 -6.883 25125 178 1 1 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.836 -0.193 25125 179 1 1 . 1 1 33 33 PHE C C 33 174.341 174.341 175.058 -0.717 25125 180 1 1 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.133 0.399 25125 181 1 1 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.315 0.994 25125 182 1 1 . 1 1 33 33 PHE H H 33 8.890 8.890 8.439 0.451 25125 183 1 1 . 1 1 34 34 GLU N N 34 118.499 118.499 116.335 2.164 25125 184 1 1 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.801 -0.447 25125 185 1 1 . 1 1 34 34 GLU C C 34 175.414 175.414 175.163 0.251 25125 186 1 1 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.660 1.032 25125 187 1 1 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.344 0.123 25125 188 1 1 . 1 1 34 34 GLU H H 34 9.023 9.023 9.017 0.006 25125 189 1 1 . 1 1 35 35 ASN N N 35 109.907 109.907 117.694 -7.787 25125 190 1 1 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.846 -0.065 25125 191 1 1 . 1 1 35 35 ASN C C 35 175.139 175.139 176.235 -1.096 25125 192 1 1 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.928 -0.782 25125 193 1 1 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.603 1.720 25125 194 1 1 . 1 1 35 35 ASN H H 35 7.401 7.401 7.695 -0.294 25125 195 1 1 . 1 1 36 36 GLY N N 36 106.739 106.739 114.712 -7.973 25125 196 1 1 . 1 1 36 36 GLY C C 36 174.616 174.616 175.355 -0.739 25125 197 1 1 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.375 -0.359 25125 198 1 1 . 1 1 36 36 GLY H H 36 8.877 8.877 8.851 0.026 25125 199 1 1 . 1 1 37 37 ASN N N 37 120.462 120.462 118.881 1.581 25125 200 1 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.446 -0.084 25125 201 1 1 . 1 1 37 37 ASN C C 37 178.686 178.686 177.355 1.331 25125 202 1 1 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.670 0.862 25125 203 1 1 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.637 -1.053 25125 204 1 1 . 1 1 37 37 ASN H H 37 8.366 8.366 8.462 -0.096 25125 205 1 1 . 1 1 38 38 GLU N N 38 119.360 119.360 118.187 1.173 25125 206 1 1 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.212 -0.142 25125 207 1 1 . 1 1 38 38 GLU C C 38 179.263 179.263 177.678 1.585 25125 208 1 1 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.663 0.969 25125 209 1 1 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.032 0.500 25125 210 1 1 . 1 1 38 38 GLU H H 38 7.990 7.990 8.034 -0.044 25125 211 1 1 . 1 1 39 39 VAL N N 39 119.259 119.259 119.258 0.001 25125 212 1 1 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.159 -0.391 25125 213 1 1 . 1 1 39 39 VAL C C 39 176.431 176.431 177.466 -1.035 25125 214 1 1 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.916 0.027 25125 215 1 1 . 1 1 39 39 VAL CB C 39 31.075 31.075 32.010 -0.935 25125 216 1 1 . 1 1 39 39 VAL H H 39 6.883 6.883 7.446 -0.563 25125 217 1 1 . 1 1 40 40 LEU N N 40 119.627 119.627 121.050 -1.423 25125 218 1 1 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125 219 1 1 . 1 1 40 40 LEU C C 40 179.538 179.538 177.881 1.657 25125 220 1 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.090 -0.150 25125 221 1 1 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.422 -0.354 25125 222 1 1 . 1 1 40 40 LEU H H 40 7.692 7.692 8.125 -0.433 25125 223 1 1 . 1 1 41 41 ALA N N 41 120.051 120.051 119.738 0.313 25125 224 1 1 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.137 0.003 25125 225 1 1 . 1 1 41 41 ALA C C 41 180.528 180.528 179.595 0.933 25125 226 1 1 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.356 0.294 25125 227 1 1 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.980 -0.114 25125 228 1 1 . 1 1 41 41 ALA H H 41 7.553 7.553 7.910 -0.357 25125 229 1 1 . 1 1 42 42 ALA N N 42 122.731 122.731 122.510 0.221 25125 230 1 1 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.069 0.130 25125 231 1 1 . 1 1 42 42 ALA C C 42 180.198 180.198 180.140 0.058 25125 232 1 1 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.676 0.356 25125 233 1 1 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.922 1.477 25125 234 1 1 . 1 1 42 42 ALA H H 42 7.604 7.604 7.623 -0.019 25125 235 1 1 . 1 1 43 43 LEU N N 43 119.131 119.131 118.747 0.384 25125 236 1 1 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.969 1.237 25125 237 1 1 . 1 1 43 43 LEU C C 43 177.421 177.421 179.182 -1.761 25125 238 1 1 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.461 -1.916 25125 239 1 1 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.114 1.490 25125 240 1 1 . 1 1 43 43 LEU H H 43 8.288 8.288 7.996 0.292 25125 241 1 1 . 1 1 44 44 ALA N N 44 119.065 119.065 118.324 0.741 25125 242 1 1 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.140 0.089 25125 243 1 1 . 1 1 44 44 ALA C C 44 178.686 178.686 178.357 0.329 25125 244 1 1 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.032 0.206 25125 245 1 1 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.226 0.290 25125 246 1 1 . 1 1 44 44 ALA H H 44 7.302 7.302 7.701 -0.399 25125 247 1 1 . 1 1 45 45 SER N N 45 108.656 108.656 114.234 -5.578 25125 248 1 1 . 1 1 45 45 SER HA H 45 4.742 4.742 4.385 0.357 25125 249 1 1 . 1 1 45 45 SER C C 45 173.296 173.296 175.962 -2.666 25125 250 1 1 . 1 1 45 45 SER CA C 45 58.656 58.656 60.953 -2.297 25125 251 1 1 . 1 1 45 45 SER CB C 45 65.407 65.407 63.786 1.621 25125 252 1 1 . 1 1 45 45 SER H H 45 7.728 7.728 8.085 -0.357 25125 253 1 1 . 1 1 46 46 LYS N N 46 123.016 123.016 116.759 6.257 25125 254 1 1 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.627 -0.041 25125 255 1 1 . 1 1 46 46 LYS C C 46 172.719 172.719 175.753 -3.034 25125 256 1 1 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.325 -0.813 25125 257 1 1 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.529 1.696 25125 258 1 1 . 1 1 46 46 LYS H H 46 8.101 8.101 8.044 0.057 25125 259 1 1 . 1 1 47 47 THR N N 47 111.780 111.780 114.897 -3.117 25125 260 1 1 . 1 1 47 47 THR HA H 47 4.282 4.282 3.907 0.375 25125 261 1 1 . 1 1 47 47 THR CA C 47 57.806 57.806 62.254 -4.448 25125 262 1 1 . 1 1 47 47 THR CB C 47 70.594 70.594 67.879 2.715 25125 263 1 1 . 1 1 47 47 THR H H 47 7.677 7.677 7.918 -0.241 25125 264 1 1 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.007 -0.102 25125 265 1 1 . 1 1 48 48 PRO C C 48 172.966 172.966 175.336 -2.370 25125 266 1 1 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.330 -1.465 25125 267 1 1 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.556 -1.280 25125 268 1 1 . 1 1 49 49 ASP N N 49 115.035 115.035 118.832 -3.797 25125 269 1 1 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.682 -0.238 25125 270 1 1 . 1 1 49 49 ASP C C 49 175.634 175.634 175.139 0.495 25125 271 1 1 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.338 1.109 25125 272 1 1 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.004 0.508 25125 273 1 1 . 1 1 49 49 ASP H H 49 8.502 8.502 8.192 0.310 25125 274 1 1 . 1 1 50 50 VAL N N 50 112.082 112.082 115.328 -3.246 25125 275 1 1 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.497 -0.217 25125 276 1 1 . 1 1 50 50 VAL C C 50 171.454 171.454 172.912 -1.458 25125 277 1 1 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.309 -0.746 25125 278 1 1 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.307 0.329 25125 279 1 1 . 1 1 50 50 VAL H H 50 7.173 7.173 7.140 0.033 25125 280 1 1 . 1 1 51 51 LEU N N 51 128.247 128.247 125.656 2.591 25125 281 1 1 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.260 0.059 25125 282 1 1 . 1 1 51 51 LEU C C 51 173.104 173.104 174.769 -1.665 25125 283 1 1 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.239 -0.021 25125 284 1 1 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.701 -0.195 25125 285 1 1 . 1 1 51 51 LEU H H 51 8.059 8.059 8.157 -0.098 25125 286 1 1 . 1 1 52 52 LEU N N 52 128.407 128.407 120.826 7.581 25125 287 1 1 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.386 0.115 25125 288 1 1 . 1 1 52 52 LEU C C 52 175.414 175.414 176.189 -0.775 25125 289 1 1 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.022 0.301 25125 290 1 1 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.684 1.837 25125 291 1 1 . 1 1 52 52 LEU H H 52 9.242 9.242 8.286 0.956 25125 292 1 1 . 1 1 53 53 SER N N 53 114.946 114.946 117.433 -2.487 25125 293 1 1 . 1 1 53 53 SER HA H 53 5.595 5.595 4.670 0.925 25125 294 1 1 . 1 1 53 53 SER C C 53 174.644 174.644 174.370 0.274 25125 295 1 1 . 1 1 53 53 SER CA C 53 55.954 55.954 56.769 -0.815 25125 296 1 1 . 1 1 53 53 SER CB C 53 66.473 66.473 64.759 1.714 25125 297 1 1 . 1 1 53 53 SER H H 53 8.695 8.695 8.049 0.646 25125 298 1 1 . 1 1 54 54 ASP N N 54 128.341 128.341 125.798 2.543 25125 299 1 1 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.699 0.626 25125 300 1 1 . 1 1 54 54 ASP C C 54 176.816 176.816 176.062 0.754 25125 301 1 1 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.378 0.115 25125 302 1 1 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.642 0.686 25125 303 1 1 . 1 1 54 54 ASP H H 54 7.886 7.886 8.861 -0.975 25125 304 1 1 . 1 1 55 55 ILE N N 55 121.229 121.229 117.894 3.335 25125 305 1 1 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.767 0.418 25125 306 1 1 . 1 1 55 55 ILE C C 55 175.084 175.084 174.109 0.975 25125 307 1 1 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.102 -0.560 25125 308 1 1 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.506 3.523 25125 309 1 1 . 1 1 55 55 ILE H H 55 8.722 8.722 7.883 0.839 25125 310 1 1 . 1 1 56 56 ARG N N 56 124.188 124.188 121.766 2.422 25125 311 1 1 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.612 -0.107 25125 312 1 1 . 1 1 56 56 ARG C C 56 175.661 175.661 174.961 0.700 25125 313 1 1 . 1 1 56 56 ARG CA C 56 55.441 55.441 54.725 0.716 25125 314 1 1 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.593 -0.232 25125 315 1 1 . 1 1 56 56 ARG H H 56 8.499 8.499 8.716 -0.217 25125 316 1 1 . 1 1 57 57 MET N N 57 122.581 122.581 120.457 2.124 25125 317 1 1 . 1 1 57 57 MET HA H 57 4.821 4.821 5.009 -0.188 25125 318 1 1 . 1 1 57 57 MET CA C 57 53.132 53.132 52.297 0.835 25125 319 1 1 . 1 1 57 57 MET CB C 57 33.445 33.445 32.819 0.625 25125 320 1 1 . 1 1 57 57 MET H H 57 7.956 7.956 7.766 0.190 25125 321 1 1 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.427 -0.034 25125 322 1 1 . 1 1 58 58 PRO C C 58 177.806 177.806 177.673 0.133 25125 323 1 1 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.201 -1.702 25125 324 1 1 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.802 0.005 25125 325 1 1 . 1 1 59 59 GLY N N 59 111.082 111.082 108.345 2.737 25125 326 1 1 . 1 1 59 59 GLY C C 59 173.626 173.626 174.367 -0.741 25125 327 1 1 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.469 0.121 25125 328 1 1 . 1 1 59 59 GLY H H 59 8.653 8.653 8.121 0.532 25125 329 1 1 . 1 1 60 60 MET N N 60 120.052 120.052 119.296 0.756 25125 330 1 1 . 1 1 60 60 MET HA H 60 4.525 4.525 4.526 -0.001 25125 331 1 1 . 1 1 60 60 MET C C 60 173.956 173.956 175.536 -1.580 25125 332 1 1 . 1 1 60 60 MET CA C 60 55.047 55.047 55.625 -0.578 25125 333 1 1 . 1 1 60 60 MET CB C 60 34.506 34.506 33.997 0.509 25125 334 1 1 . 1 1 60 60 MET H H 60 7.968 7.968 7.747 0.221 25125 335 1 1 . 1 1 61 61 ASP N N 61 121.306 121.306 120.197 1.109 25125 336 1 1 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.684 0.020 25125 337 1 1 . 1 1 61 61 ASP C C 61 176.761 176.761 177.333 -0.572 25125 338 1 1 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.413 -0.684 25125 339 1 1 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.127 -0.058 25125 340 1 1 . 1 1 61 61 ASP H H 61 8.379 8.379 8.560 -0.181 25125 341 1 1 . 1 1 62 62 GLY N N 62 110.874 110.874 108.632 2.242 25125 342 1 1 . 1 1 62 62 GLY C C 62 175.194 175.194 175.751 -0.557 25125 343 1 1 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.732 0.369 25125 344 1 1 . 1 1 62 62 GLY H H 62 8.707 8.707 8.297 0.410 25125 345 1 1 . 1 1 63 63 LEU N N 63 121.299 121.299 120.374 0.925 25125 346 1 1 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.404 -0.227 25125 347 1 1 . 1 1 63 63 LEU C C 63 178.356 178.356 178.250 0.106 25125 348 1 1 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.412 1.466 25125 349 1 1 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.498 0.740 25125 350 1 1 . 1 1 63 63 LEU H H 63 8.045 8.045 7.697 0.348 25125 351 1 1 . 1 1 64 64 ALA N N 64 122.741 122.741 123.895 -1.154 25125 352 1 1 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.015 0.047 25125 353 1 1 . 1 1 64 64 ALA C C 64 180.556 180.556 179.408 1.148 25125 354 1 1 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.068 -0.453 25125 355 1 1 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.865 0.135 25125 356 1 1 . 1 1 64 64 ALA H H 64 7.859 7.859 8.238 -0.379 25125 357 1 1 . 1 1 65 65 LEU N N 65 120.287 120.287 114.379 5.908 25125 358 1 1 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.316 -0.254 25125 359 1 1 . 1 1 65 65 LEU C C 65 178.191 178.191 178.284 -0.093 25125 360 1 1 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.585 1.434 25125 361 1 1 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.865 -0.627 25125 362 1 1 . 1 1 65 65 LEU H H 65 8.022 8.022 7.829 0.193 25125 363 1 1 . 1 1 66 66 LEU N N 66 118.738 118.738 119.902 -1.164 25125 364 1 1 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.184 -0.326 25125 365 1 1 . 1 1 66 66 LEU C C 66 178.631 178.631 178.778 -0.147 25125 366 1 1 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.506 1.840 25125 367 1 1 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.928 0.310 25125 368 1 1 . 1 1 66 66 LEU H H 66 8.101 8.101 7.734 0.367 25125 369 1 1 . 1 1 67 67 LYS N N 67 117.842 117.842 117.568 0.274 25125 370 1 1 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.124 -0.142 25125 371 1 1 . 1 1 67 67 LYS C C 67 179.263 179.263 178.557 0.706 25125 372 1 1 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.584 1.213 25125 373 1 1 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.979 0.228 25125 374 1 1 . 1 1 67 67 LYS H H 67 8.010 8.010 8.177 -0.167 25125 375 1 1 . 1 1 68 68 GLN N N 68 118.875 118.875 117.790 1.085 25125 376 1 1 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.289 -0.233 25125 377 1 1 . 1 1 68 68 GLN C C 68 179.071 179.071 177.614 1.457 25125 378 1 1 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.214 0.859 25125 379 1 1 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.962 -0.351 25125 380 1 1 . 1 1 68 68 GLN H H 68 7.809 7.809 7.582 0.227 25125 381 1 1 . 1 1 69 69 ILE N N 69 120.377 120.377 121.576 -1.199 25125 382 1 1 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.005 -0.475 25125 383 1 1 . 1 1 69 69 ILE C C 69 177.421 177.421 178.265 -0.844 25125 384 1 1 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.798 1.080 25125 385 1 1 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.606 -0.022 25125 386 1 1 . 1 1 69 69 ILE H H 69 8.481 8.481 7.553 0.928 25125 387 1 1 . 1 1 70 70 LYS N N 70 117.873 117.873 118.406 -0.533 25125 388 1 1 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.181 -0.221 25125 389 1 1 . 1 1 70 70 LYS C C 70 178.053 178.053 177.924 0.129 25125 390 1 1 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.899 -1.811 25125 391 1 1 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.117 -0.905 25125 392 1 1 . 1 1 70 70 LYS H H 70 8.220 8.220 7.920 0.300 25125 393 1 1 . 1 1 71 71 GLN N N 71 116.315 116.315 117.240 -0.925 25125 394 1 1 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.219 -0.227 25125 395 1 1 . 1 1 71 71 GLN C C 71 177.366 177.366 177.801 -0.435 25125 396 1 1 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.077 0.113 25125 397 1 1 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.170 -0.505 25125 398 1 1 . 1 1 71 71 GLN H H 71 7.601 7.601 7.424 0.177 25125 399 1 1 . 1 1 72 72 ARG N N 72 116.530 116.530 117.811 -1.281 25125 400 1 1 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.118 -0.088 25125 401 1 1 . 1 1 72 72 ARG C C 72 175.826 175.826 176.621 -0.795 25125 402 1 1 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.581 -0.359 25125 403 1 1 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.655 0.147 25125 404 1 1 . 1 1 72 72 ARG H H 72 7.301 7.301 8.104 -0.803 25125 405 1 1 . 1 1 73 73 HIS N N 73 116.755 116.755 116.501 0.254 25125 406 1 1 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.016 -0.056 25125 407 1 1 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.394 -0.176 25125 408 1 1 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.049 0.513 25125 409 1 1 . 1 1 73 73 HIS H H 73 8.331 8.331 7.866 0.465 25125 410 1 1 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.406 0.093 25125 411 1 1 . 1 1 74 74 PRO C C 74 178.466 178.466 177.331 1.135 25125 412 1 1 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.794 0.319 25125 413 1 1 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.101 -0.006 25125 414 1 1 . 1 1 75 75 MET N N 75 114.814 114.814 116.506 -1.692 25125 415 1 1 . 1 1 75 75 MET HA H 75 4.567 4.567 4.476 0.091 25125 416 1 1 . 1 1 75 75 MET C C 75 176.046 176.046 175.593 0.453 25125 417 1 1 . 1 1 75 75 MET CA C 75 54.266 54.266 55.349 -1.083 25125 418 1 1 . 1 1 75 75 MET CB C 75 31.288 31.288 32.306 -1.018 25125 419 1 1 . 1 1 75 75 MET H H 75 8.623 8.623 7.907 0.716 25125 420 1 1 . 1 1 76 76 LEU N N 76 125.533 125.533 122.400 3.133 25125 421 1 1 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.712 -0.406 25125 422 1 1 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.047 2.065 25125 423 1 1 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.655 0.030 25125 424 1 1 . 1 1 76 76 LEU H H 76 7.337 7.337 7.223 0.114 25125 425 1 1 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.500 -0.054 25125 426 1 1 . 1 1 77 77 PRO C C 77 174.974 174.974 175.338 -0.364 25125 427 1 1 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.495 0.332 25125 428 1 1 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.072 -0.350 25125 429 1 1 . 1 1 78 78 VAL N N 78 123.779 123.779 122.742 1.037 25125 430 1 1 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.484 0.540 25125 431 1 1 . 1 1 78 78 VAL C C 78 175.441 175.441 175.442 -0.001 25125 432 1 1 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.400 -0.207 25125 433 1 1 . 1 1 78 78 VAL CB C 78 34.294 34.294 34.983 -0.689 25125 434 1 1 . 1 1 78 78 VAL H H 78 8.317 8.317 8.187 0.130 25125 435 1 1 . 1 1 79 79 ILE N N 79 128.334 128.334 120.553 7.781 25125 436 1 1 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.784 -0.303 25125 437 1 1 . 1 1 79 79 ILE C C 79 174.479 174.479 174.868 -0.389 25125 438 1 1 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.112 -0.590 25125 439 1 1 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.213 -2.250 25125 440 1 1 . 1 1 79 79 ILE H H 79 9.292 9.292 8.776 0.516 25125 441 1 1 . 1 1 80 80 ILE N N 80 127.023 127.023 125.991 1.032 25125 442 1 1 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.361 0.498 25125 443 1 1 . 1 1 80 80 ILE C C 80 175.029 175.029 174.914 0.115 25125 444 1 1 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.841 -1.684 25125 445 1 1 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.670 -1.726 25125 446 1 1 . 1 1 80 80 ILE H H 80 7.938 7.938 8.844 -0.906 25125 447 1 1 . 1 1 81 81 MET N N 81 127.255 127.255 124.866 2.389 25125 448 1 1 . 1 1 81 81 MET HA H 81 5.521 5.521 5.318 0.203 25125 449 1 1 . 1 1 81 81 MET C C 81 174.534 174.534 175.227 -0.693 25125 450 1 1 . 1 1 81 81 MET CA C 81 53.513 53.513 55.208 -1.695 25125 451 1 1 . 1 1 81 81 MET CB C 81 35.483 35.483 35.891 -0.408 25125 452 1 1 . 1 1 81 81 MET H H 81 8.801 8.801 8.867 -0.066 25125 453 1 1 . 1 1 82 82 THR N N 82 112.857 112.857 116.738 -3.881 25125 454 1 1 . 1 1 82 82 THR HA H 82 4.914 4.914 4.472 0.442 25125 455 1 1 . 1 1 82 82 THR C C 82 172.581 172.581 174.216 -1.635 25125 456 1 1 . 1 1 82 82 THR CA C 82 59.561 59.561 63.466 -3.905 25125 457 1 1 . 1 1 82 82 THR CB C 82 69.989 69.989 69.649 0.340 25125 458 1 1 . 1 1 82 82 THR H H 82 7.623 7.623 8.425 -0.802 25125 459 1 1 . 1 1 83 83 ALA N N 83 129.541 129.541 123.406 6.135 25125 460 1 1 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.941 0.767 25125 461 1 1 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.180 -1.642 25125 462 1 1 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.953 2.194 25125 463 1 1 . 1 1 83 83 ALA H H 83 9.149 9.149 8.249 0.900 25125 464 1 1 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.480 -0.208 25125 465 1 1 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.936 4.764 25125 466 1 1 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.480 0.538 25125 467 1 1 . 1 1 85 85 SER N N 85 112.633 112.633 115.928 -3.295 25125 468 1 1 . 1 1 85 85 SER HA H 85 4.198 4.198 4.046 0.152 25125 469 1 1 . 1 1 85 85 SER C C 85 174.506 174.506 173.311 1.195 25125 470 1 1 . 1 1 85 85 SER CA C 85 59.823 59.823 60.544 -0.721 25125 471 1 1 . 1 1 85 85 SER CB C 85 62.693 62.693 62.535 0.158 25125 472 1 1 . 1 1 85 85 SER H H 85 8.224 8.224 8.593 -0.369 25125 473 1 1 . 1 1 86 86 ASP N N 86 120.886 120.886 124.187 -3.301 25125 474 1 1 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.385 0.551 25125 475 1 1 . 1 1 86 86 ASP C C 86 175.881 175.881 176.924 -1.043 25125 476 1 1 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.173 -1.239 25125 477 1 1 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.459 1.544 25125 478 1 1 . 1 1 86 86 ASP H H 86 7.608 7.608 7.774 -0.166 25125 479 1 1 . 1 1 87 87 LEU N N 87 121.913 121.913 121.760 0.153 25125 480 1 1 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.655 0.264 25125 481 1 1 . 1 1 87 87 LEU C C 87 177.586 177.586 177.990 -0.404 25125 482 1 1 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.852 -1.015 25125 483 1 1 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.485 0.830 25125 484 1 1 . 1 1 87 87 LEU H H 87 7.498 7.498 7.531 -0.033 25125 485 1 1 . 1 1 88 88 ASP N N 88 117.621 117.621 117.224 0.397 25125 486 1 1 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.225 0.047 25125 487 1 1 . 1 1 88 88 ASP C C 88 178.246 178.246 177.681 0.565 25125 488 1 1 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.368 -0.558 25125 489 1 1 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.407 -0.273 25125 490 1 1 . 1 1 88 88 ASP H H 88 8.322 8.322 8.734 -0.412 25125 491 1 1 . 1 1 89 89 ALA N N 89 122.874 122.874 121.173 1.701 25125 492 1 1 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.322 -0.228 25125 493 1 1 . 1 1 89 89 ALA C C 89 179.346 179.346 179.305 0.041 25125 494 1 1 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.427 -0.274 25125 495 1 1 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.711 -0.450 25125 496 1 1 . 1 1 89 89 ALA H H 89 7.838 7.838 7.357 0.481 25125 497 1 1 . 1 1 90 90 ALA N N 90 121.673 121.673 121.999 -0.326 25125 498 1 1 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.039 -0.106 25125 499 1 1 . 1 1 90 90 ALA C C 90 178.686 178.686 179.822 -1.136 25125 500 1 1 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.954 -0.291 25125 501 1 1 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.030 0.352 25125 502 1 1 . 1 1 90 90 ALA H H 90 7.896 7.896 8.090 -0.194 25125 503 1 1 . 1 1 91 91 VAL N N 91 117.749 117.749 117.252 0.497 25125 504 1 1 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.914 -0.302 25125 505 1 1 . 1 1 91 91 VAL C C 91 178.411 178.411 177.303 1.108 25125 506 1 1 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.616 -1.435 25125 507 1 1 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.960 -0.323 25125 508 1 1 . 1 1 91 91 VAL H H 91 8.098 8.098 8.527 -0.429 25125 509 1 1 . 1 1 92 92 SER N N 92 114.942 114.942 113.758 1.184 25125 510 1 1 . 1 1 92 92 SER HA H 92 4.231 4.231 4.465 -0.234 25125 511 1 1 . 1 1 92 92 SER C C 92 175.826 175.826 175.602 0.224 25125 512 1 1 . 1 1 92 92 SER CA C 92 60.649 60.649 60.043 0.606 25125 513 1 1 . 1 1 92 92 SER CB C 92 63.063 63.063 64.320 -1.256 25125 514 1 1 . 1 1 92 92 SER H H 92 7.825 7.825 7.767 0.058 25125 515 1 1 . 1 1 93 93 ALA N N 93 122.580 122.580 123.269 -0.689 25125 516 1 1 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.243 -0.186 25125 517 1 1 . 1 1 93 93 ALA C C 93 178.906 178.906 179.446 -0.540 25125 518 1 1 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.567 -0.250 25125 519 1 1 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.693 -0.396 25125 520 1 1 . 1 1 93 93 ALA H H 93 7.861 7.861 8.437 -0.576 25125 521 1 1 . 1 1 94 94 TYR N N 94 118.447 118.447 120.736 -2.289 25125 522 1 1 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.270 0.222 25125 523 1 1 . 1 1 94 94 TYR C C 94 177.393 177.393 177.524 -0.131 25125 524 1 1 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.085 -0.834 25125 525 1 1 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.392 0.042 25125 526 1 1 . 1 1 94 94 TYR H H 94 8.150 8.150 7.886 0.264 25125 527 1 1 . 1 1 95 95 GLN N N 95 119.787 119.787 115.835 3.952 25125 528 1 1 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125 529 1 1 . 1 1 95 95 GLN C C 95 176.981 176.981 176.560 0.421 25125 530 1 1 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.975 0.491 25125 531 1 1 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.785 0.305 25125 532 1 1 . 1 1 95 95 GLN H H 95 8.271 8.271 7.938 0.333 25125 533 1 1 . 1 1 96 96 GLN N N 96 117.878 117.878 118.317 -0.439 25125 534 1 1 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.253 0.092 25125 535 1 1 . 1 1 96 96 GLN C C 96 175.854 175.854 176.141 -0.287 25125 536 1 1 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.564 0.607 25125 537 1 1 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.962 0.513 25125 538 1 1 . 1 1 96 96 GLN H H 96 7.944 7.944 7.683 0.261 25125 539 1 1 . 1 1 97 97 GLY N N 97 106.670 106.670 105.630 1.040 25125 540 1 1 . 1 1 97 97 GLY C C 97 174.231 174.231 173.298 0.933 25125 541 1 1 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.873 0.613 25125 542 1 1 . 1 1 97 97 GLY H H 97 7.949 7.949 7.278 0.671 25125 543 1 1 . 1 1 98 98 ALA N N 98 122.898 122.898 120.644 2.254 25125 544 1 1 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.422 -0.047 25125 545 1 1 . 1 1 98 98 ALA C C 98 175.991 175.991 175.614 0.377 25125 546 1 1 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.078 2.090 25125 547 1 1 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.435 -1.466 25125 548 1 1 . 1 1 98 98 ALA H H 98 7.808 7.808 7.146 0.662 25125 549 1 1 . 1 1 99 99 PHE N N 99 123.484 123.484 119.683 3.801 25125 550 1 1 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.471 -0.121 25125 551 1 1 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.503 1.953 25125 552 1 1 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.141 -0.701 25125 553 1 1 . 1 1 99 99 PHE H H 99 7.704 7.704 8.353 -0.649 25125 554 1 1 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.878 0.626 25125 555 1 1 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.918 -1.436 25125 556 1 1 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.365 3.835 25125 557 1 1 . 1 1 101 101 TYR N N 101 118.148 118.148 121.863 -3.715 25125 558 1 1 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.457 0.991 25125 559 1 1 . 1 1 101 101 TYR C C 101 173.159 173.159 174.154 -0.995 25125 560 1 1 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.236 -0.249 25125 561 1 1 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.414 2.484 25125 562 1 1 . 1 1 101 101 TYR H H 101 9.546 9.546 7.430 2.116 25125 563 1 1 . 1 1 102 102 LEU N N 102 124.100 124.100 121.061 3.039 25125 564 1 1 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.049 -0.329 25125 565 1 1 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.252 -0.753 25125 566 1 1 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.947 0.114 25125 567 1 1 . 1 1 102 102 LEU H H 102 8.901 8.901 8.839 0.062 25125 568 1 1 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.549 0.344 25125 569 1 1 . 1 1 103 103 PRO C C 103 175.524 175.524 175.475 0.049 25125 570 1 1 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.600 -0.715 25125 571 1 1 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.373 -0.566 25125 572 1 1 . 1 1 104 104 LYS N N 104 118.848 118.848 120.294 -1.446 25125 573 1 1 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.992 -0.479 25125 574 1 1 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.757 0.461 25125 575 1 1 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.618 2.126 25125 576 1 1 . 1 1 104 104 LYS H H 104 8.279 8.279 8.149 0.130 25125 577 1 1 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.275 0.024 25125 578 1 1 . 1 1 105 105 PRO C C 105 175.001 175.001 175.852 -0.851 25125 579 1 1 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.697 -0.303 25125 580 1 1 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.097 1.998 25125 581 1 1 . 1 1 106 106 PHE N N 106 116.607 116.607 115.498 1.109 25125 582 1 1 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.657 0.513 25125 583 1 1 . 1 1 106 106 PHE C C 106 175.221 175.221 174.151 1.070 25125 584 1 1 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.301 -2.866 25125 585 1 1 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.071 0.329 25125 586 1 1 . 1 1 106 106 PHE H H 106 7.457 7.457 7.695 -0.238 25125 587 1 1 . 1 1 107 107 ASP N N 107 122.214 122.214 122.158 0.056 25125 588 1 1 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.022 -0.190 25125 589 1 1 . 1 1 107 107 ASP C C 107 177.778 177.778 176.969 0.809 25125 590 1 1 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.689 -0.447 25125 591 1 1 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.441 1.156 25125 592 1 1 . 1 1 107 107 ASP H H 107 9.022 9.022 8.567 0.455 25125 593 1 1 . 1 1 108 108 ILE N N 108 127.706 127.706 124.807 2.899 25125 594 1 1 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.765 0.200 25125 595 1 1 . 1 1 108 108 ILE C C 108 176.046 176.046 177.342 -1.296 25125 596 1 1 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.739 -1.750 25125 597 1 1 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.128 -0.374 25125 598 1 1 . 1 1 108 108 ILE H H 108 8.860 8.860 8.786 0.074 25125 599 1 1 . 1 1 109 109 ASP N N 109 120.058 120.058 119.430 0.628 25125 600 1 1 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.338 0.050 25125 601 1 1 . 1 1 109 109 ASP C C 109 179.786 179.786 178.567 1.219 25125 602 1 1 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.623 -0.130 25125 603 1 1 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.543 -0.489 25125 604 1 1 . 1 1 109 109 ASP H H 109 8.079 8.079 8.507 -0.428 25125 605 1 1 . 1 1 110 110 GLU N N 110 121.559 121.559 119.260 2.299 25125 606 1 1 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.200 -0.132 25125 607 1 1 . 1 1 110 110 GLU C C 110 179.043 179.043 178.300 0.743 25125 608 1 1 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.283 0.543 25125 609 1 1 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.547 -0.204 25125 610 1 1 . 1 1 110 110 GLU H H 110 8.012 8.012 8.082 -0.070 25125 611 1 1 . 1 1 111 111 ALA N N 111 122.267 122.267 123.320 -1.053 25125 612 1 1 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.978 -0.224 25125 613 1 1 . 1 1 111 111 ALA C C 111 178.493 178.493 179.561 -1.068 25125 614 1 1 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.186 -0.014 25125 615 1 1 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.230 0.152 25125 616 1 1 . 1 1 111 111 ALA H H 111 7.897 7.897 7.845 0.052 25125 617 1 1 . 1 1 112 112 VAL N N 112 116.527 116.527 117.445 -0.918 25125 618 1 1 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.616 -0.449 25125 619 1 1 . 1 1 112 112 VAL C C 112 177.201 177.201 177.872 -0.671 25125 620 1 1 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.571 0.574 25125 621 1 1 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.075 0.477 25125 622 1 1 . 1 1 112 112 VAL H H 112 8.018 8.018 8.408 -0.390 25125 623 1 1 . 1 1 113 113 ALA N N 113 119.895 119.895 120.857 -0.962 25125 624 1 1 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.191 -0.053 25125 625 1 1 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.228 0.604 25125 626 1 1 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.610 -0.738 25125 627 1 1 . 1 1 113 113 ALA H H 113 7.673 7.673 7.461 0.212 25125 628 1 1 . 1 1 114 114 LEU N N 114 120.650 120.650 120.613 0.037 25125 629 1 1 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.114 -0.031 25125 630 1 1 . 1 1 114 114 LEU C C 114 178.466 178.466 178.624 -0.158 25125 631 1 1 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.691 0.329 25125 632 1 1 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.082 -0.249 25125 633 1 1 . 1 1 114 114 LEU H H 114 7.840 7.840 7.711 0.129 25125 634 1 1 . 1 1 115 115 VAL N N 115 119.480 119.480 118.308 1.172 25125 635 1 1 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.588 -0.376 25125 636 1 1 . 1 1 115 115 VAL C C 115 177.448 177.448 177.308 0.140 25125 637 1 1 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.919 1.282 25125 638 1 1 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.882 -1.210 25125 639 1 1 . 1 1 115 115 VAL H H 115 7.824 7.824 8.007 -0.183 25125 640 1 1 . 1 1 116 116 GLU N N 116 117.473 117.473 118.882 -1.409 25125 641 1 1 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.976 -0.187 25125 642 1 1 . 1 1 116 116 GLU C C 116 179.566 179.566 178.586 0.980 25125 643 1 1 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.346 0.584 25125 644 1 1 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.264 -0.168 25125 645 1 1 . 1 1 116 116 GLU H H 116 8.465 8.465 7.741 0.724 25125 646 1 1 . 1 1 117 117 ARG N N 117 120.128 120.128 119.227 0.901 25125 647 1 1 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.055 0.009 25125 648 1 1 . 1 1 117 117 ARG C C 117 178.438 178.438 177.411 1.027 25125 649 1 1 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.773 0.505 25125 650 1 1 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.932 0.345 25125 651 1 1 . 1 1 117 117 ARG H H 117 8.012 8.012 7.411 0.601 25125 652 1 1 . 1 1 118 118 ALA N N 118 122.270 122.270 120.436 1.834 25125 653 1 1 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.880 -0.424 25125 654 1 1 . 1 1 118 118 ALA C C 118 178.741 178.741 178.524 0.217 25125 655 1 1 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.926 0.652 25125 656 1 1 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.723 -0.565 25125 657 1 1 . 1 1 118 118 ALA H H 118 7.958 7.958 7.116 0.842 25125 658 1 1 . 1 1 119 119 ILE N N 119 115.269 115.269 116.400 -1.131 25125 659 1 1 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.169 -0.441 25125 660 1 1 . 1 1 119 119 ILE C C 119 177.366 177.366 177.599 -0.233 25125 661 1 1 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.733 -0.064 25125 662 1 1 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.589 -0.791 25125 663 1 1 . 1 1 119 119 ILE H H 119 7.753 7.753 7.316 0.437 25125 664 1 1 . 1 1 120 120 SER N N 120 115.135 115.135 115.275 -0.140 25125 665 1 1 . 1 1 120 120 SER HA H 120 4.275 4.275 4.269 0.006 25125 666 1 1 . 1 1 120 120 SER C C 120 175.084 175.084 175.472 -0.388 25125 667 1 1 . 1 1 120 120 SER CA C 120 59.816 59.816 60.688 -0.872 25125 668 1 1 . 1 1 120 120 SER CB C 120 63.380 63.380 63.008 0.372 25125 669 1 1 . 1 1 120 120 SER H H 120 7.816 7.816 8.184 -0.368 25125 670 1 1 . 1 1 121 121 HIS N N 121 119.908 119.908 119.662 0.246 25125 671 1 1 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.146 0.276 25125 672 1 1 . 1 1 121 121 HIS C C 121 175.029 175.029 175.281 -0.252 25125 673 1 1 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.362 -1.127 25125 674 1 1 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.837 -0.409 25125 675 1 1 . 1 1 121 121 HIS H H 121 7.910 7.910 7.758 0.152 25125 676 1 1 . 1 1 122 122 TYR N N 122 118.880 118.880 115.814 3.066 25125 677 1 1 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.573 -0.147 25125 678 1 1 . 1 1 122 122 TYR C C 122 175.276 175.276 176.984 -1.708 25125 679 1 1 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.804 -0.355 25125 680 1 1 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.797 -0.193 25125 681 1 1 . 1 1 122 122 TYR H H 122 7.766 7.766 7.490 0.276 25125 682 1 1 . 1 1 123 123 GLN N N 123 121.479 121.479 118.983 2.496 25125 683 1 1 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.222 0.048 25125 684 1 1 . 1 1 123 123 GLN C C 123 174.534 174.534 176.077 -1.543 25125 685 1 1 . 1 1 123 123 GLN CA C 123 55.512 55.512 56.803 -1.291 25125 686 1 1 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.803 -0.035 25125 687 1 1 . 1 1 123 123 GLN H H 123 7.878 7.878 7.826 0.052 25125 688 1 2 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.627 -0.194 25125 689 1 2 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.313 0.251 25125 690 1 2 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.678 1.922 25125 691 1 2 . 1 1 3 3 ARG N N 3 121.252 121.252 119.450 1.802 25125 692 1 2 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.255 0.110 25125 693 1 2 . 1 1 3 3 ARG C C 3 175.634 175.634 175.980 -0.346 25125 694 1 2 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.360 -0.369 25125 695 1 2 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.450 0.847 25125 696 1 2 . 1 1 3 3 ARG H H 3 8.429 8.429 7.508 0.921 25125 697 1 2 . 1 1 4 4 GLY N N 4 107.663 107.663 108.760 -1.097 25125 698 1 2 . 1 1 4 4 GLY C C 4 171.041 171.041 173.280 -2.239 25125 699 1 2 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.539 0.777 25125 700 1 2 . 1 1 4 4 GLY H H 4 7.963 7.963 7.628 0.335 25125 701 1 2 . 1 1 5 5 ILE N N 5 122.603 122.603 126.309 -3.706 25125 702 1 2 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.052 0.647 25125 703 1 2 . 1 1 5 5 ILE C C 5 175.359 175.359 174.808 0.551 25125 704 1 2 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.623 -1.013 25125 705 1 2 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.294 0.282 25125 706 1 2 . 1 1 5 5 ILE H H 5 9.610 9.610 8.021 1.589 25125 707 1 2 . 1 1 6 6 VAL N N 6 127.905 127.905 126.216 1.689 25125 708 1 2 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.948 -0.136 25125 709 1 2 . 1 1 6 6 VAL C C 6 174.204 174.204 175.500 -1.296 25125 710 1 2 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.791 -1.232 25125 711 1 2 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.763 1.763 25125 712 1 2 . 1 1 6 6 VAL H H 6 9.090 9.090 7.979 1.111 25125 713 1 2 . 1 1 7 7 TRP N N 7 127.467 127.467 128.735 -1.268 25125 714 1 2 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.276 1.178 25125 715 1 2 . 1 1 7 7 TRP C C 7 175.056 175.056 175.399 -0.343 25125 716 1 2 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.345 -1.467 25125 717 1 2 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.161 0.973 25125 718 1 2 . 1 1 7 7 TRP H H 7 8.497 8.497 8.463 0.034 25125 719 1 2 . 1 1 8 8 VAL N N 8 122.068 122.068 118.431 3.637 25125 720 1 2 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.453 0.633 25125 721 1 2 . 1 1 8 8 VAL C C 8 173.874 173.874 173.804 0.070 25125 722 1 2 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.229 -0.743 25125 723 1 2 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.989 -0.274 25125 724 1 2 . 1 1 8 8 VAL H H 8 8.583 8.583 9.373 -0.790 25125 725 1 2 . 1 1 9 9 VAL N N 9 127.733 127.733 125.153 2.580 25125 726 1 2 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.564 0.397 25125 727 1 2 . 1 1 9 9 VAL C C 9 173.131 173.131 173.345 -0.214 25125 728 1 2 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.787 -1.112 25125 729 1 2 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.180 -2.269 25125 730 1 2 . 1 1 9 9 VAL H H 9 9.107 9.107 8.427 0.680 25125 731 1 2 . 1 1 10 10 ASP N N 10 124.306 124.306 125.825 -1.519 25125 732 1 2 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.051 -0.482 25125 733 1 2 . 1 1 10 10 ASP C C 10 175.029 175.029 174.485 0.544 25125 734 1 2 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.333 1.414 25125 735 1 2 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.539 0.570 25125 736 1 2 . 1 1 10 10 ASP H H 10 7.775 7.775 8.025 -0.250 25125 737 1 2 . 1 1 11 11 ASP N N 11 126.714 126.714 117.476 9.238 25125 738 1 2 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.920 -0.385 25125 739 1 2 . 1 1 11 11 ASP C C 11 175.689 175.689 174.731 0.958 25125 740 1 2 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.903 1.815 25125 741 1 2 . 1 1 11 11 ASP CB C 11 42.074 42.074 43.072 -0.998 25125 742 1 2 . 1 1 11 11 ASP H H 11 9.033 9.033 8.552 0.481 25125 743 1 2 . 1 1 12 12 ASP N N 12 121.877 121.877 118.780 3.097 25125 744 1 2 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.962 -0.316 25125 745 1 2 . 1 1 12 12 ASP C C 12 177.036 177.036 176.561 0.475 25125 746 1 2 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.465 -0.161 25125 747 1 2 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.608 -2.444 25125 748 1 2 . 1 1 12 12 ASP H H 12 9.570 9.570 8.145 1.425 25125 749 1 2 . 1 1 13 13 SER N N 13 123.799 123.799 117.795 6.004 25125 750 1 2 . 1 1 13 13 SER HA H 13 3.761 3.761 4.292 -0.531 25125 751 1 2 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125 752 1 2 . 1 1 13 13 SER CA C 13 61.186 61.186 60.883 0.303 25125 753 1 2 . 1 1 13 13 SER CB C 13 62.749 62.749 63.362 -0.613 25125 754 1 2 . 1 1 13 13 SER H H 13 8.850 8.850 8.716 0.134 25125 755 1 2 . 1 1 14 14 SER N N 14 119.123 119.123 118.521 0.602 25125 756 1 2 . 1 1 14 14 SER HA H 14 4.361 4.361 4.417 -0.056 25125 757 1 2 . 1 1 14 14 SER C C 14 176.404 176.404 176.525 -0.121 25125 758 1 2 . 1 1 14 14 SER CA C 14 61.730 61.730 61.261 0.469 25125 759 1 2 . 1 1 14 14 SER CB C 14 62.548 62.548 62.988 -0.440 25125 760 1 2 . 1 1 14 14 SER H H 14 8.531 8.531 8.484 0.047 25125 761 1 2 . 1 1 15 15 ILE N N 15 123.637 123.637 121.818 1.819 25125 762 1 2 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.880 0.065 25125 763 1 2 . 1 1 15 15 ILE C C 15 177.861 177.861 178.109 -0.248 25125 764 1 2 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.581 -2.381 25125 765 1 2 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.575 -0.688 25125 766 1 2 . 1 1 15 15 ILE H H 15 7.206 7.206 8.385 -1.179 25125 767 1 2 . 1 1 16 16 ARG N N 16 116.694 116.694 117.917 -1.223 25125 768 1 2 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.188 -0.465 25125 769 1 2 . 1 1 16 16 ARG C C 16 177.448 177.448 177.706 -0.258 25125 770 1 2 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.133 2.440 25125 771 1 2 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.098 0.349 25125 772 1 2 . 1 1 16 16 ARG H H 16 7.562 7.562 7.678 -0.116 25125 773 1 2 . 1 1 17 17 TRP N N 17 116.848 116.848 123.350 -6.502 25125 774 1 2 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.539 -0.068 25125 775 1 2 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.079 0.361 25125 776 1 2 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.865 -0.573 25125 777 1 2 . 1 1 17 17 TRP H H 17 8.005 8.005 7.506 0.499 25125 778 1 2 . 1 1 18 18 VAL N N 18 116.964 116.964 117.229 -0.265 25125 779 1 2 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.933 0.742 25125 780 1 2 . 1 1 18 18 VAL C C 18 179.181 179.181 176.989 2.192 25125 781 1 2 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.799 -0.091 25125 782 1 2 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.736 0.901 25125 783 1 2 . 1 1 18 18 VAL H H 18 8.110 8.110 8.721 -0.611 25125 784 1 2 . 1 1 19 19 LEU N N 19 120.186 120.186 119.031 1.155 25125 785 1 2 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.278 -0.203 25125 786 1 2 . 1 1 19 19 LEU C C 19 177.778 177.778 178.739 -0.961 25125 787 1 2 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.847 0.974 25125 788 1 2 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.090 -0.309 25125 789 1 2 . 1 1 19 19 LEU H H 19 8.073 8.073 7.595 0.478 25125 790 1 2 . 1 1 20 20 GLU N N 20 120.193 120.193 120.778 -0.585 25125 791 1 2 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.889 0.052 25125 792 1 2 . 1 1 20 20 GLU C C 20 178.603 178.603 178.610 -0.007 25125 793 1 2 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.949 0.661 25125 794 1 2 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.769 -0.681 25125 795 1 2 . 1 1 20 20 GLU H H 20 8.387 8.387 7.874 0.513 25125 796 1 2 . 1 1 21 21 ARG N N 21 116.076 116.076 117.480 -1.404 25125 797 1 2 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.864 0.029 25125 798 1 2 . 1 1 21 21 ARG C C 21 179.676 179.676 178.202 1.474 25125 799 1 2 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.878 -0.429 25125 800 1 2 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.242 0.611 25125 801 1 2 . 1 1 21 21 ARG H H 21 7.602 7.602 8.225 -0.623 25125 802 1 2 . 1 1 22 22 ALA N N 22 122.405 122.405 122.120 0.285 25125 803 1 2 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.004 0.093 25125 804 1 2 . 1 1 22 22 ALA C C 22 180.501 180.501 179.364 1.137 25125 805 1 2 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.446 0.132 25125 806 1 2 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.686 0.546 25125 807 1 2 . 1 1 22 22 ALA H H 22 7.992 7.992 7.377 0.615 25125 808 1 2 . 1 1 23 23 LEU N N 23 118.026 118.026 119.004 -0.978 25125 809 1 2 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.961 0.040 25125 810 1 2 . 1 1 23 23 LEU C C 23 178.878 178.878 179.288 -0.410 25125 811 1 2 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.425 0.296 25125 812 1 2 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.769 -2.114 25125 813 1 2 . 1 1 23 23 LEU H H 23 8.825 8.825 7.460 1.365 25125 814 1 2 . 1 1 24 24 ALA N N 24 122.159 122.159 119.442 2.717 25125 815 1 2 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.046 0.587 25125 816 1 2 . 1 1 24 24 ALA C C 24 183.141 183.141 178.562 4.579 25125 817 1 2 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.285 0.463 25125 818 1 2 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.640 -0.938 25125 819 1 2 . 1 1 24 24 ALA H H 24 8.125 8.125 8.271 -0.146 25125 820 1 2 . 1 1 25 25 GLY N N 25 106.891 106.891 105.448 1.443 25125 821 1 2 . 1 1 25 25 GLY C C 25 174.286 174.286 174.154 0.132 25125 822 1 2 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.953 1.468 25125 823 1 2 . 1 1 25 25 GLY H H 25 7.870 7.870 7.707 0.163 25125 824 1 2 . 1 1 26 26 ALA N N 26 121.819 121.819 122.952 -1.133 25125 825 1 2 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.621 -0.122 25125 826 1 2 . 1 1 26 26 ALA C C 26 176.953 176.953 178.083 -1.130 25125 827 1 2 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.915 0.604 25125 828 1 2 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.119 -1.397 25125 829 1 2 . 1 1 26 26 ALA H H 26 7.285 7.285 7.367 -0.082 25125 830 1 2 . 1 1 27 27 GLY N N 27 106.197 106.197 107.328 -1.131 25125 831 1 2 . 1 1 27 27 GLY C C 27 173.956 173.956 173.103 0.853 25125 832 1 2 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.899 0.417 25125 833 1 2 . 1 1 27 27 GLY H H 27 7.824 7.824 8.691 -0.867 25125 834 1 2 . 1 1 28 28 LEU N N 28 120.291 120.291 118.434 1.857 25125 835 1 2 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.725 -0.150 25125 836 1 2 . 1 1 28 28 LEU C C 28 175.881 175.881 176.379 -0.498 25125 837 1 2 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.167 0.476 25125 838 1 2 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.825 -2.340 25125 839 1 2 . 1 1 28 28 LEU H H 28 7.678 7.678 7.134 0.544 25125 840 1 2 . 1 1 29 29 THR N N 29 118.040 118.040 116.844 1.196 25125 841 1 2 . 1 1 29 29 THR HA H 29 4.335 4.335 4.278 0.057 25125 842 1 2 . 1 1 29 29 THR C C 29 173.186 173.186 174.149 -0.963 25125 843 1 2 . 1 1 29 29 THR CA C 29 62.479 62.479 63.805 -1.326 25125 844 1 2 . 1 1 29 29 THR CB C 29 69.465 69.465 69.650 -0.186 25125 845 1 2 . 1 1 29 29 THR H H 29 8.527 8.527 8.457 0.070 25125 846 1 2 . 1 1 30 30 CYS N N 30 128.387 128.387 120.274 8.113 25125 847 1 2 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.404 0.539 25125 848 1 2 . 1 1 30 30 CYS C C 30 173.846 173.846 174.074 -0.228 25125 849 1 2 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.429 -0.067 25125 850 1 2 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.579 -0.099 25125 851 1 2 . 1 1 30 30 CYS H H 30 8.968 8.968 8.516 0.452 25125 852 1 2 . 1 1 31 31 THR N N 31 126.481 126.481 123.705 2.776 25125 853 1 2 . 1 1 31 31 THR HA H 31 4.433 4.433 4.406 0.027 25125 854 1 2 . 1 1 31 31 THR C C 31 172.609 172.609 173.549 -0.940 25125 855 1 2 . 1 1 31 31 THR CA C 31 61.951 61.951 61.804 0.147 25125 856 1 2 . 1 1 31 31 THR CB C 31 70.567 70.567 69.915 0.652 25125 857 1 2 . 1 1 31 31 THR H H 31 8.614 8.614 8.435 0.179 25125 858 1 2 . 1 1 32 32 THR N N 32 116.418 116.418 117.636 -1.218 25125 859 1 2 . 1 1 32 32 THR HA H 32 5.330 5.330 5.321 0.009 25125 860 1 2 . 1 1 32 32 THR C C 32 172.306 172.306 173.246 -0.940 25125 861 1 2 . 1 1 32 32 THR CA C 32 59.173 59.173 60.169 -0.996 25125 862 1 2 . 1 1 32 32 THR CB C 32 70.917 70.917 69.906 1.011 25125 863 1 2 . 1 1 32 32 THR H H 32 8.299 8.299 8.243 0.056 25125 864 1 2 . 1 1 33 33 PHE N N 33 118.067 118.067 126.618 -8.551 25125 865 1 2 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.795 -0.152 25125 866 1 2 . 1 1 33 33 PHE C C 33 174.341 174.341 175.587 -1.246 25125 867 1 2 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.683 -0.151 25125 868 1 2 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.093 1.216 25125 869 1 2 . 1 1 33 33 PHE H H 33 8.890 8.890 8.869 0.021 25125 870 1 2 . 1 1 34 34 GLU N N 34 118.499 118.499 116.882 1.617 25125 871 1 2 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.765 -0.411 25125 872 1 2 . 1 1 34 34 GLU C C 34 175.414 175.414 175.054 0.360 25125 873 1 2 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.686 1.006 25125 874 1 2 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.844 0.623 25125 875 1 2 . 1 1 34 34 GLU H H 34 9.023 9.023 8.701 0.322 25125 876 1 2 . 1 1 35 35 ASN N N 35 109.907 109.907 117.450 -7.543 25125 877 1 2 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.958 -0.177 25125 878 1 2 . 1 1 35 35 ASN C C 35 175.139 175.139 176.161 -1.022 25125 879 1 2 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.436 -1.290 25125 880 1 2 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.559 0.764 25125 881 1 2 . 1 1 35 35 ASN H H 35 7.401 7.401 7.610 -0.209 25125 882 1 2 . 1 1 36 36 GLY N N 36 106.739 106.739 113.226 -6.487 25125 883 1 2 . 1 1 36 36 GLY C C 36 174.616 174.616 175.285 -0.669 25125 884 1 2 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.334 -0.318 25125 885 1 2 . 1 1 36 36 GLY H H 36 8.877 8.877 9.055 -0.178 25125 886 1 2 . 1 1 37 37 ASN N N 37 120.462 120.462 118.711 1.751 25125 887 1 2 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.469 -0.107 25125 888 1 2 . 1 1 37 37 ASN C C 37 178.686 178.686 176.962 1.724 25125 889 1 2 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.701 0.831 25125 890 1 2 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.257 -0.673 25125 891 1 2 . 1 1 37 37 ASN H H 37 8.366 8.366 8.682 -0.316 25125 892 1 2 . 1 1 38 38 GLU N N 38 119.360 119.360 118.307 1.053 25125 893 1 2 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.271 -0.201 25125 894 1 2 . 1 1 38 38 GLU C C 38 179.263 179.263 177.625 1.638 25125 895 1 2 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.785 0.847 25125 896 1 2 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.066 0.466 25125 897 1 2 . 1 1 38 38 GLU H H 38 7.990 7.990 7.962 0.028 25125 898 1 2 . 1 1 39 39 VAL N N 39 119.259 119.259 118.926 0.333 25125 899 1 2 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.151 -0.383 25125 900 1 2 . 1 1 39 39 VAL C C 39 176.431 176.431 177.227 -0.796 25125 901 1 2 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.439 -0.496 25125 902 1 2 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.964 -0.889 25125 903 1 2 . 1 1 39 39 VAL H H 39 6.883 6.883 7.670 -0.787 25125 904 1 2 . 1 1 40 40 LEU N N 40 119.627 119.627 121.358 -1.731 25125 905 1 2 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.006 -0.079 25125 906 1 2 . 1 1 40 40 LEU C C 40 179.538 179.538 178.050 1.488 25125 907 1 2 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.076 -0.136 25125 908 1 2 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.480 -0.412 25125 909 1 2 . 1 1 40 40 LEU H H 40 7.692 7.692 7.821 -0.129 25125 910 1 2 . 1 1 41 41 ALA N N 41 120.051 120.051 119.821 0.230 25125 911 1 2 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.174 -0.034 25125 912 1 2 . 1 1 41 41 ALA C C 41 180.528 180.528 178.543 1.985 25125 913 1 2 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.226 0.424 25125 914 1 2 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.084 -0.218 25125 915 1 2 . 1 1 41 41 ALA H H 41 7.553 7.553 7.836 -0.283 25125 916 1 2 . 1 1 42 42 ALA N N 42 122.731 122.731 121.315 1.416 25125 917 1 2 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.189 0.010 25125 918 1 2 . 1 1 42 42 ALA C C 42 180.198 180.198 180.323 -0.125 25125 919 1 2 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.500 0.532 25125 920 1 2 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.358 1.041 25125 921 1 2 . 1 1 42 42 ALA H H 42 7.604 7.604 7.227 0.377 25125 922 1 2 . 1 1 43 43 LEU N N 43 119.131 119.131 119.063 0.068 25125 923 1 2 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.971 1.235 25125 924 1 2 . 1 1 43 43 LEU C C 43 177.421 177.421 179.032 -1.611 25125 925 1 2 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.408 -1.863 25125 926 1 2 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.119 1.485 25125 927 1 2 . 1 1 43 43 LEU H H 43 8.288 8.288 8.079 0.209 25125 928 1 2 . 1 1 44 44 ALA N N 44 119.065 119.065 118.294 0.771 25125 929 1 2 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.205 0.024 25125 930 1 2 . 1 1 44 44 ALA C C 44 178.686 178.686 178.471 0.215 25125 931 1 2 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.776 0.462 25125 932 1 2 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.350 0.166 25125 933 1 2 . 1 1 44 44 ALA H H 44 7.302 7.302 7.828 -0.526 25125 934 1 2 . 1 1 45 45 SER N N 45 108.656 108.656 114.770 -6.114 25125 935 1 2 . 1 1 45 45 SER HA H 45 4.742 4.742 4.360 0.382 25125 936 1 2 . 1 1 45 45 SER C C 45 173.296 173.296 176.326 -3.030 25125 937 1 2 . 1 1 45 45 SER CA C 45 58.656 58.656 60.947 -2.291 25125 938 1 2 . 1 1 45 45 SER CB C 45 65.407 65.407 63.894 1.513 25125 939 1 2 . 1 1 45 45 SER H H 45 7.728 7.728 8.139 -0.411 25125 940 1 2 . 1 1 46 46 LYS N N 46 123.016 123.016 116.510 6.506 25125 941 1 2 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.591 -0.005 25125 942 1 2 . 1 1 46 46 LYS C C 46 172.719 172.719 175.794 -3.075 25125 943 1 2 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.387 -0.875 25125 944 1 2 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.658 1.567 25125 945 1 2 . 1 1 46 46 LYS H H 46 8.101 8.101 7.838 0.264 25125 946 1 2 . 1 1 47 47 THR N N 47 111.780 111.780 115.605 -3.825 25125 947 1 2 . 1 1 47 47 THR HA H 47 4.282 4.282 3.952 0.330 25125 948 1 2 . 1 1 47 47 THR CA C 47 57.806 57.806 62.048 -4.242 25125 949 1 2 . 1 1 47 47 THR CB C 47 70.594 70.594 68.121 2.473 25125 950 1 2 . 1 1 47 47 THR H H 47 7.677 7.677 7.842 -0.165 25125 951 1 2 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.971 -0.066 25125 952 1 2 . 1 1 48 48 PRO C C 48 172.966 172.966 175.041 -2.075 25125 953 1 2 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.297 -1.432 25125 954 1 2 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.486 -1.210 25125 955 1 2 . 1 1 49 49 ASP N N 49 115.035 115.035 117.927 -2.892 25125 956 1 2 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.686 -0.242 25125 957 1 2 . 1 1 49 49 ASP C C 49 175.634 175.634 175.518 0.116 25125 958 1 2 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.110 1.337 25125 959 1 2 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.893 -0.381 25125 960 1 2 . 1 1 49 49 ASP H H 49 8.502 8.502 7.954 0.548 25125 961 1 2 . 1 1 50 50 VAL N N 50 112.082 112.082 116.346 -4.264 25125 962 1 2 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.578 -0.298 25125 963 1 2 . 1 1 50 50 VAL C C 50 171.454 171.454 172.847 -1.393 25125 964 1 2 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.899 -1.337 25125 965 1 2 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.919 -0.283 25125 966 1 2 . 1 1 50 50 VAL H H 50 7.173 7.173 7.129 0.044 25125 967 1 2 . 1 1 51 51 LEU N N 51 128.247 128.247 126.340 1.907 25125 968 1 2 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.342 -0.023 25125 969 1 2 . 1 1 51 51 LEU C C 51 173.104 173.104 175.057 -1.953 25125 970 1 2 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.009 0.209 25125 971 1 2 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.590 -0.084 25125 972 1 2 . 1 1 51 51 LEU H H 51 8.059 8.059 8.063 -0.004 25125 973 1 2 . 1 1 52 52 LEU N N 52 128.407 128.407 121.016 7.391 25125 974 1 2 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.884 0.617 25125 975 1 2 . 1 1 52 52 LEU C C 52 175.414 175.414 176.078 -0.664 25125 976 1 2 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.385 -0.061 25125 977 1 2 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.595 1.926 25125 978 1 2 . 1 1 52 52 LEU H H 52 9.242 9.242 8.135 1.107 25125 979 1 2 . 1 1 53 53 SER N N 53 114.946 114.946 117.516 -2.570 25125 980 1 2 . 1 1 53 53 SER HA H 53 5.595 5.595 4.217 1.378 25125 981 1 2 . 1 1 53 53 SER C C 53 174.644 174.644 173.653 0.991 25125 982 1 2 . 1 1 53 53 SER CA C 53 55.954 55.954 59.999 -4.045 25125 983 1 2 . 1 1 53 53 SER CB C 53 66.473 66.473 64.059 2.414 25125 984 1 2 . 1 1 53 53 SER H H 53 8.695 8.695 8.138 0.557 25125 985 1 2 . 1 1 54 54 ASP N N 54 128.341 128.341 126.044 2.297 25125 986 1 2 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.914 0.411 25125 987 1 2 . 1 1 54 54 ASP C C 54 176.816 176.816 175.676 1.140 25125 988 1 2 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.931 1.562 25125 989 1 2 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.782 -0.454 25125 990 1 2 . 1 1 54 54 ASP H H 54 7.886 7.886 8.086 -0.200 25125 991 1 2 . 1 1 55 55 ILE N N 55 121.229 121.229 126.061 -4.832 25125 992 1 2 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.095 0.090 25125 993 1 2 . 1 1 55 55 ILE C C 55 175.084 175.084 175.114 -0.030 25125 994 1 2 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.644 -0.102 25125 995 1 2 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.032 1.997 25125 996 1 2 . 1 1 55 55 ILE H H 55 8.722 8.722 8.204 0.518 25125 997 1 2 . 1 1 56 56 ARG N N 56 124.188 124.188 124.918 -0.730 25125 998 1 2 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.500 0.005 25125 999 1 2 . 1 1 56 56 ARG C C 56 175.661 175.661 174.944 0.717 25125 1000 1 2 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.219 -0.778 25125 1001 1 2 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.762 -1.401 25125 1002 1 2 . 1 1 56 56 ARG H H 56 8.499 8.499 8.486 0.013 25125 1003 1 2 . 1 1 57 57 MET N N 57 122.581 122.581 116.844 5.737 25125 1004 1 2 . 1 1 57 57 MET HA H 57 4.821 4.821 5.158 -0.337 25125 1005 1 2 . 1 1 57 57 MET CA C 57 53.132 53.132 52.767 0.365 25125 1006 1 2 . 1 1 57 57 MET CB C 57 33.445 33.445 35.552 -2.107 25125 1007 1 2 . 1 1 57 57 MET H H 57 7.956 7.956 7.703 0.253 25125 1008 1 2 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.392 0.001 25125 1009 1 2 . 1 1 58 58 PRO C C 58 177.806 177.806 177.454 0.352 25125 1010 1 2 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.294 -0.796 25125 1011 1 2 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.564 0.243 25125 1012 1 2 . 1 1 59 59 GLY N N 59 111.082 111.082 108.369 2.713 25125 1013 1 2 . 1 1 59 59 GLY C C 59 173.626 173.626 175.443 -1.817 25125 1014 1 2 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.122 -0.532 25125 1015 1 2 . 1 1 59 59 GLY H H 59 8.653 8.653 8.238 0.415 25125 1016 1 2 . 1 1 60 60 MET N N 60 120.052 120.052 121.778 -1.726 25125 1017 1 2 . 1 1 60 60 MET HA H 60 4.525 4.525 4.494 0.031 25125 1018 1 2 . 1 1 60 60 MET C C 60 173.956 173.956 176.445 -2.489 25125 1019 1 2 . 1 1 60 60 MET CA C 60 55.047 55.047 55.210 -0.163 25125 1020 1 2 . 1 1 60 60 MET CB C 60 34.506 34.506 32.687 1.819 25125 1021 1 2 . 1 1 60 60 MET H H 60 7.968 7.968 8.014 -0.046 25125 1022 1 2 . 1 1 61 61 ASP N N 61 121.306 121.306 118.926 2.380 25125 1023 1 2 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.252 0.452 25125 1024 1 2 . 1 1 61 61 ASP C C 61 176.761 176.761 176.598 0.163 25125 1025 1 2 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.674 -3.945 25125 1026 1 2 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.916 1.153 25125 1027 1 2 . 1 1 61 61 ASP H H 61 8.379 8.379 8.086 0.293 25125 1028 1 2 . 1 1 62 62 GLY N N 62 110.874 110.874 105.758 5.116 25125 1029 1 2 . 1 1 62 62 GLY C C 62 175.194 175.194 174.626 0.568 25125 1030 1 2 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.659 1.442 25125 1031 1 2 . 1 1 62 62 GLY H H 62 8.707 8.707 8.470 0.237 25125 1032 1 2 . 1 1 63 63 LEU N N 63 121.299 121.299 121.673 -0.374 25125 1033 1 2 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.588 -0.411 25125 1034 1 2 . 1 1 63 63 LEU C C 63 178.356 178.356 178.055 0.301 25125 1035 1 2 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.198 1.680 25125 1036 1 2 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.172 1.066 25125 1037 1 2 . 1 1 63 63 LEU H H 63 8.045 8.045 7.879 0.166 25125 1038 1 2 . 1 1 64 64 ALA N N 64 122.741 122.741 123.671 -0.930 25125 1039 1 2 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.980 0.082 25125 1040 1 2 . 1 1 64 64 ALA C C 64 180.556 180.556 179.296 1.260 25125 1041 1 2 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.398 -0.782 25125 1042 1 2 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.905 0.095 25125 1043 1 2 . 1 1 64 64 ALA H H 64 7.859 7.859 8.019 -0.160 25125 1044 1 2 . 1 1 65 65 LEU N N 65 120.287 120.287 115.032 5.255 25125 1045 1 2 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.330 -0.268 25125 1046 1 2 . 1 1 65 65 LEU C C 65 178.191 178.191 178.434 -0.243 25125 1047 1 2 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.912 1.107 25125 1048 1 2 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.925 -0.687 25125 1049 1 2 . 1 1 65 65 LEU H H 65 8.022 8.022 7.690 0.332 25125 1050 1 2 . 1 1 66 66 LEU N N 66 118.738 118.738 120.147 -1.409 25125 1051 1 2 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.186 -0.328 25125 1052 1 2 . 1 1 66 66 LEU C C 66 178.631 178.631 178.824 -0.193 25125 1053 1 2 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.688 1.659 25125 1054 1 2 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.880 0.357 25125 1055 1 2 . 1 1 66 66 LEU H H 66 8.101 8.101 7.829 0.272 25125 1056 1 2 . 1 1 67 67 LYS N N 67 117.842 117.842 117.576 0.266 25125 1057 1 2 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.108 -0.126 25125 1058 1 2 . 1 1 67 67 LYS C C 67 179.263 179.263 178.803 0.460 25125 1059 1 2 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.848 0.949 25125 1060 1 2 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.944 0.264 25125 1061 1 2 . 1 1 67 67 LYS H H 67 8.010 8.010 8.279 -0.269 25125 1062 1 2 . 1 1 68 68 GLN N N 68 118.875 118.875 117.977 0.898 25125 1063 1 2 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.272 -0.216 25125 1064 1 2 . 1 1 68 68 GLN C C 68 179.071 179.071 177.784 1.287 25125 1065 1 2 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.134 0.939 25125 1066 1 2 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.736 -0.125 25125 1067 1 2 . 1 1 68 68 GLN H H 68 7.809 7.809 7.485 0.324 25125 1068 1 2 . 1 1 69 69 ILE N N 69 120.377 120.377 121.717 -1.340 25125 1069 1 2 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.965 -0.435 25125 1070 1 2 . 1 1 69 69 ILE C C 69 177.421 177.421 178.099 -0.678 25125 1071 1 2 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.038 0.840 25125 1072 1 2 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.785 -0.201 25125 1073 1 2 . 1 1 69 69 ILE H H 69 8.481 8.481 7.643 0.838 25125 1074 1 2 . 1 1 70 70 LYS N N 70 117.873 117.873 118.696 -0.823 25125 1075 1 2 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.214 -0.254 25125 1076 1 2 . 1 1 70 70 LYS C C 70 178.053 178.053 178.243 -0.190 25125 1077 1 2 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.020 -0.932 25125 1078 1 2 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.125 -0.913 25125 1079 1 2 . 1 1 70 70 LYS H H 70 8.220 8.220 7.608 0.612 25125 1080 1 2 . 1 1 71 71 GLN N N 71 116.315 116.315 116.816 -0.501 25125 1081 1 2 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.235 -0.243 25125 1082 1 2 . 1 1 71 71 GLN C C 71 177.366 177.366 177.419 -0.053 25125 1083 1 2 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.715 0.475 25125 1084 1 2 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.891 -0.226 25125 1085 1 2 . 1 1 71 71 GLN H H 71 7.601 7.601 7.324 0.277 25125 1086 1 2 . 1 1 72 72 ARG N N 72 116.530 116.530 118.453 -1.923 25125 1087 1 2 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.285 -0.255 25125 1088 1 2 . 1 1 72 72 ARG C C 72 175.826 175.826 176.522 -0.696 25125 1089 1 2 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.710 0.512 25125 1090 1 2 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.126 -0.324 25125 1091 1 2 . 1 1 72 72 ARG H H 72 7.301 7.301 8.047 -0.746 25125 1092 1 2 . 1 1 73 73 HIS N N 73 116.755 116.755 117.856 -1.101 25125 1093 1 2 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.021 -0.061 25125 1094 1 2 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.631 -0.413 25125 1095 1 2 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.086 0.476 25125 1096 1 2 . 1 1 73 73 HIS H H 73 8.331 8.331 7.967 0.364 25125 1097 1 2 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.364 0.135 25125 1098 1 2 . 1 1 74 74 PRO C C 74 178.466 178.466 177.576 0.890 25125 1099 1 2 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.169 -0.056 25125 1100 1 2 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.206 -0.111 25125 1101 1 2 . 1 1 75 75 MET N N 75 114.814 114.814 113.327 1.487 25125 1102 1 2 . 1 1 75 75 MET HA H 75 4.567 4.567 4.467 0.100 25125 1103 1 2 . 1 1 75 75 MET C C 75 176.046 176.046 175.902 0.144 25125 1104 1 2 . 1 1 75 75 MET CA C 75 54.266 54.266 55.752 -1.486 25125 1105 1 2 . 1 1 75 75 MET CB C 75 31.288 31.288 31.988 -0.700 25125 1106 1 2 . 1 1 75 75 MET H H 75 8.623 8.623 7.728 0.895 25125 1107 1 2 . 1 1 76 76 LEU N N 76 125.533 125.533 123.549 1.984 25125 1108 1 2 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.726 -0.421 25125 1109 1 2 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.291 1.821 25125 1110 1 2 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.274 -0.589 25125 1111 1 2 . 1 1 76 76 LEU H H 76 7.337 7.337 7.116 0.221 25125 1112 1 2 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.596 -0.150 25125 1113 1 2 . 1 1 77 77 PRO C C 77 174.974 174.974 175.621 -0.647 25125 1114 1 2 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.624 0.202 25125 1115 1 2 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.519 -0.797 25125 1116 1 2 . 1 1 78 78 VAL N N 78 123.779 123.779 119.109 4.670 25125 1117 1 2 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.941 0.083 25125 1118 1 2 . 1 1 78 78 VAL C C 78 175.441 175.441 175.162 0.279 25125 1119 1 2 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.448 -0.255 25125 1120 1 2 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.472 -2.178 25125 1121 1 2 . 1 1 78 78 VAL H H 78 8.317 8.317 8.037 0.280 25125 1122 1 2 . 1 1 79 79 ILE N N 79 128.334 128.334 120.457 7.877 25125 1123 1 2 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.789 -0.308 25125 1124 1 2 . 1 1 79 79 ILE C C 79 174.479 174.479 174.895 -0.416 25125 1125 1 2 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.006 -0.484 25125 1126 1 2 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.759 -1.796 25125 1127 1 2 . 1 1 79 79 ILE H H 79 9.292 9.292 8.017 1.275 25125 1128 1 2 . 1 1 80 80 ILE N N 80 127.023 127.023 126.550 0.473 25125 1129 1 2 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.146 0.713 25125 1130 1 2 . 1 1 80 80 ILE C C 80 175.029 175.029 174.909 0.120 25125 1131 1 2 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.513 -2.356 25125 1132 1 2 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.629 -0.685 25125 1133 1 2 . 1 1 80 80 ILE H H 80 7.938 7.938 8.818 -0.880 25125 1134 1 2 . 1 1 81 81 MET N N 81 127.255 127.255 126.470 0.785 25125 1135 1 2 . 1 1 81 81 MET HA H 81 5.521 5.521 5.460 0.061 25125 1136 1 2 . 1 1 81 81 MET C C 81 174.534 174.534 175.546 -1.012 25125 1137 1 2 . 1 1 81 81 MET CA C 81 53.513 53.513 55.089 -1.576 25125 1138 1 2 . 1 1 81 81 MET CB C 81 35.483 35.483 35.883 -0.399 25125 1139 1 2 . 1 1 81 81 MET H H 81 8.801 8.801 8.360 0.441 25125 1140 1 2 . 1 1 82 82 THR N N 82 112.857 112.857 117.702 -4.845 25125 1141 1 2 . 1 1 82 82 THR HA H 82 4.914 4.914 4.450 0.464 25125 1142 1 2 . 1 1 82 82 THR C C 82 172.581 172.581 174.342 -1.761 25125 1143 1 2 . 1 1 82 82 THR CA C 82 59.561 59.561 64.435 -4.874 25125 1144 1 2 . 1 1 82 82 THR CB C 82 69.989 69.989 69.428 0.561 25125 1145 1 2 . 1 1 82 82 THR H H 82 7.623 7.623 8.480 -0.857 25125 1146 1 2 . 1 1 83 83 ALA N N 83 129.541 129.541 124.308 5.233 25125 1147 1 2 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.959 0.749 25125 1148 1 2 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.182 -1.644 25125 1149 1 2 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.104 2.043 25125 1150 1 2 . 1 1 83 83 ALA H H 83 9.149 9.149 8.297 0.852 25125 1151 1 2 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.570 -0.298 25125 1152 1 2 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.019 4.681 25125 1153 1 2 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.333 -0.315 25125 1154 1 2 . 1 1 85 85 SER N N 85 112.633 112.633 118.305 -5.672 25125 1155 1 2 . 1 1 85 85 SER HA H 85 4.198 4.198 4.132 0.066 25125 1156 1 2 . 1 1 85 85 SER C C 85 174.506 174.506 173.378 1.128 25125 1157 1 2 . 1 1 85 85 SER CA C 85 59.823 59.823 59.110 0.713 25125 1158 1 2 . 1 1 85 85 SER CB C 85 62.693 62.693 62.347 0.346 25125 1159 1 2 . 1 1 85 85 SER H H 85 8.224 8.224 8.791 -0.567 25125 1160 1 2 . 1 1 86 86 ASP N N 86 120.886 120.886 118.982 1.904 25125 1161 1 2 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.427 0.509 25125 1162 1 2 . 1 1 86 86 ASP C C 86 175.881 175.881 177.189 -1.308 25125 1163 1 2 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.384 -1.450 25125 1164 1 2 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.710 1.293 25125 1165 1 2 . 1 1 86 86 ASP H H 86 7.608 7.608 8.300 -0.692 25125 1166 1 2 . 1 1 87 87 LEU N N 87 121.913 121.913 121.744 0.169 25125 1167 1 2 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.633 0.286 25125 1168 1 2 . 1 1 87 87 LEU C C 87 177.586 177.586 178.348 -0.762 25125 1169 1 2 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.530 -0.693 25125 1170 1 2 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.605 0.710 25125 1171 1 2 . 1 1 87 87 LEU H H 87 7.498 7.498 8.017 -0.519 25125 1172 1 2 . 1 1 88 88 ASP N N 88 117.621 117.621 118.217 -0.596 25125 1173 1 2 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.204 0.068 25125 1174 1 2 . 1 1 88 88 ASP C C 88 178.246 178.246 177.843 0.403 25125 1175 1 2 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.989 -1.179 25125 1176 1 2 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.350 -0.216 25125 1177 1 2 . 1 1 88 88 ASP H H 88 8.322 8.322 8.718 -0.396 25125 1178 1 2 . 1 1 89 89 ALA N N 89 122.874 122.874 120.856 2.018 25125 1179 1 2 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.424 -0.330 25125 1180 1 2 . 1 1 89 89 ALA C C 89 179.346 179.346 179.307 0.039 25125 1181 1 2 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.311 -0.158 25125 1182 1 2 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.771 -0.510 25125 1183 1 2 . 1 1 89 89 ALA H H 89 7.838 7.838 7.706 0.132 25125 1184 1 2 . 1 1 90 90 ALA N N 90 121.673 121.673 122.474 -0.801 25125 1185 1 2 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.061 -0.128 25125 1186 1 2 . 1 1 90 90 ALA C C 90 178.686 178.686 180.371 -1.685 25125 1187 1 2 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.173 -0.510 25125 1188 1 2 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.106 0.276 25125 1189 1 2 . 1 1 90 90 ALA H H 90 7.896 7.896 8.488 -0.592 25125 1190 1 2 . 1 1 91 91 VAL N N 91 117.749 117.749 117.879 -0.130 25125 1191 1 2 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.967 -0.355 25125 1192 1 2 . 1 1 91 91 VAL C C 91 178.411 178.411 177.402 1.009 25125 1193 1 2 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.814 -1.633 25125 1194 1 2 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.340 0.297 25125 1195 1 2 . 1 1 91 91 VAL H H 91 8.098 8.098 8.597 -0.499 25125 1196 1 2 . 1 1 92 92 SER N N 92 114.942 114.942 113.760 1.182 25125 1197 1 2 . 1 1 92 92 SER HA H 92 4.231 4.231 4.480 -0.249 25125 1198 1 2 . 1 1 92 92 SER C C 92 175.826 175.826 175.736 0.090 25125 1199 1 2 . 1 1 92 92 SER CA C 92 60.649 60.649 59.644 1.005 25125 1200 1 2 . 1 1 92 92 SER CB C 92 63.063 63.063 64.159 -1.096 25125 1201 1 2 . 1 1 92 92 SER H H 92 7.825 7.825 7.859 -0.034 25125 1202 1 2 . 1 1 93 93 ALA N N 93 122.580 122.580 123.191 -0.611 25125 1203 1 2 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125 1204 1 2 . 1 1 93 93 ALA C C 93 178.906 178.906 179.392 -0.486 25125 1205 1 2 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.626 -0.309 25125 1206 1 2 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.743 -0.446 25125 1207 1 2 . 1 1 93 93 ALA H H 93 7.861 7.861 8.370 -0.509 25125 1208 1 2 . 1 1 94 94 TYR N N 94 118.447 118.447 120.741 -2.294 25125 1209 1 2 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.270 0.222 25125 1210 1 2 . 1 1 94 94 TYR C C 94 177.393 177.393 177.542 -0.149 25125 1211 1 2 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.090 -0.839 25125 1212 1 2 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.407 0.027 25125 1213 1 2 . 1 1 94 94 TYR H H 94 8.150 8.150 7.935 0.215 25125 1214 1 2 . 1 1 95 95 GLN N N 95 119.787 119.787 115.823 3.964 25125 1215 1 2 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.062 -0.019 25125 1216 1 2 . 1 1 95 95 GLN C C 95 176.981 176.981 176.501 0.480 25125 1217 1 2 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.967 0.499 25125 1218 1 2 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.802 0.287 25125 1219 1 2 . 1 1 95 95 GLN H H 95 8.271 8.271 7.932 0.339 25125 1220 1 2 . 1 1 96 96 GLN N N 96 117.878 117.878 118.765 -0.887 25125 1221 1 2 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.260 0.085 25125 1222 1 2 . 1 1 96 96 GLN C C 96 175.854 175.854 176.074 -0.220 25125 1223 1 2 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.055 0.116 25125 1224 1 2 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.174 0.301 25125 1225 1 2 . 1 1 96 96 GLN H H 96 7.944 7.944 7.806 0.138 25125 1226 1 2 . 1 1 97 97 GLY N N 97 106.670 106.670 106.022 0.648 25125 1227 1 2 . 1 1 97 97 GLY C C 97 174.231 174.231 172.897 1.334 25125 1228 1 2 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.812 0.674 25125 1229 1 2 . 1 1 97 97 GLY H H 97 7.949 7.949 8.180 -0.231 25125 1230 1 2 . 1 1 98 98 ALA N N 98 122.898 122.898 121.574 1.324 25125 1231 1 2 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.499 -0.124 25125 1232 1 2 . 1 1 98 98 ALA C C 98 175.991 175.991 175.441 0.550 25125 1233 1 2 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.951 2.217 25125 1234 1 2 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.322 -1.353 25125 1235 1 2 . 1 1 98 98 ALA H H 98 7.808 7.808 7.164 0.644 25125 1236 1 2 . 1 1 99 99 PHE N N 99 123.484 123.484 120.598 2.886 25125 1237 1 2 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.382 -0.032 25125 1238 1 2 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.893 1.563 25125 1239 1 2 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.025 -0.585 25125 1240 1 2 . 1 1 99 99 PHE H H 99 7.704 7.704 8.413 -0.709 25125 1241 1 2 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.855 0.649 25125 1242 1 2 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.477 -1.995 25125 1243 1 2 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.229 3.971 25125 1244 1 2 . 1 1 101 101 TYR N N 101 118.148 118.148 119.880 -1.732 25125 1245 1 2 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.459 0.989 25125 1246 1 2 . 1 1 101 101 TYR C C 101 173.159 173.159 174.717 -1.558 25125 1247 1 2 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.610 -0.623 25125 1248 1 2 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.025 2.873 25125 1249 1 2 . 1 1 101 101 TYR H H 101 9.546 9.546 7.405 2.141 25125 1250 1 2 . 1 1 102 102 LEU N N 102 124.100 124.100 119.932 4.168 25125 1251 1 2 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.102 -0.382 25125 1252 1 2 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.652 -1.153 25125 1253 1 2 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.426 -0.365 25125 1254 1 2 . 1 1 102 102 LEU H H 102 8.901 8.901 8.734 0.167 25125 1255 1 2 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.552 0.341 25125 1256 1 2 . 1 1 103 103 PRO C C 103 175.524 175.524 175.533 -0.009 25125 1257 1 2 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.360 -0.475 25125 1258 1 2 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.351 -0.544 25125 1259 1 2 . 1 1 104 104 LYS N N 104 118.848 118.848 121.480 -2.632 25125 1260 1 2 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.893 -0.380 25125 1261 1 2 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.384 -0.166 25125 1262 1 2 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.263 0.481 25125 1263 1 2 . 1 1 104 104 LYS H H 104 8.279 8.279 8.239 0.040 25125 1264 1 2 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.375 -0.076 25125 1265 1 2 . 1 1 105 105 PRO C C 105 175.001 175.001 175.565 -0.564 25125 1266 1 2 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.710 -0.316 25125 1267 1 2 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.173 1.921 25125 1268 1 2 . 1 1 106 106 PHE N N 106 116.607 116.607 115.055 1.552 25125 1269 1 2 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.728 0.442 25125 1270 1 2 . 1 1 106 106 PHE C C 106 175.221 175.221 174.188 1.033 25125 1271 1 2 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.087 -2.652 25125 1272 1 2 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.118 0.282 25125 1273 1 2 . 1 1 106 106 PHE H H 106 7.457 7.457 7.423 0.034 25125 1274 1 2 . 1 1 107 107 ASP N N 107 122.214 122.214 122.287 -0.073 25125 1275 1 2 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.951 -0.119 25125 1276 1 2 . 1 1 107 107 ASP C C 107 177.778 177.778 177.150 0.628 25125 1277 1 2 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.938 -0.696 25125 1278 1 2 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.258 1.339 25125 1279 1 2 . 1 1 107 107 ASP H H 107 9.022 9.022 8.584 0.438 25125 1280 1 2 . 1 1 108 108 ILE N N 108 127.706 127.706 125.265 2.441 25125 1281 1 2 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.771 0.194 25125 1282 1 2 . 1 1 108 108 ILE C C 108 176.046 176.046 177.180 -1.134 25125 1283 1 2 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.398 -2.409 25125 1284 1 2 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.086 -0.332 25125 1285 1 2 . 1 1 108 108 ILE H H 108 8.860 8.860 8.758 0.102 25125 1286 1 2 . 1 1 109 109 ASP N N 109 120.058 120.058 118.640 1.418 25125 1287 1 2 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.358 0.030 25125 1288 1 2 . 1 1 109 109 ASP C C 109 179.786 179.786 179.281 0.505 25125 1289 1 2 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.498 -0.004 25125 1290 1 2 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.883 0.171 25125 1291 1 2 . 1 1 109 109 ASP H H 109 8.079 8.079 8.705 -0.626 25125 1292 1 2 . 1 1 110 110 GLU N N 110 121.559 121.559 119.026 2.533 25125 1293 1 2 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.233 -0.165 25125 1294 1 2 . 1 1 110 110 GLU C C 110 179.043 179.043 178.545 0.498 25125 1295 1 2 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.343 0.484 25125 1296 1 2 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.061 -0.717 25125 1297 1 2 . 1 1 110 110 GLU H H 110 8.012 8.012 8.024 -0.012 25125 1298 1 2 . 1 1 111 111 ALA N N 111 122.267 122.267 123.823 -1.556 25125 1299 1 2 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.006 -0.252 25125 1300 1 2 . 1 1 111 111 ALA C C 111 178.493 178.493 179.615 -1.122 25125 1301 1 2 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.347 -0.175 25125 1302 1 2 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.167 0.215 25125 1303 1 2 . 1 1 111 111 ALA H H 111 7.897 7.897 8.090 -0.193 25125 1304 1 2 . 1 1 112 112 VAL N N 112 116.527 116.527 117.579 -1.052 25125 1305 1 2 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.601 -0.434 25125 1306 1 2 . 1 1 112 112 VAL C C 112 177.201 177.201 178.011 -0.810 25125 1307 1 2 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.671 0.474 25125 1308 1 2 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.038 0.514 25125 1309 1 2 . 1 1 112 112 VAL H H 112 8.018 8.018 8.492 -0.474 25125 1310 1 2 . 1 1 113 113 ALA N N 113 119.895 119.895 121.058 -1.163 25125 1311 1 2 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.224 -0.086 25125 1312 1 2 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.350 0.482 25125 1313 1 2 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.572 -0.700 25125 1314 1 2 . 1 1 113 113 ALA H H 113 7.673 7.673 7.429 0.244 25125 1315 1 2 . 1 1 114 114 LEU N N 114 120.650 120.650 120.740 -0.090 25125 1316 1 2 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.083 -0.000 25125 1317 1 2 . 1 1 114 114 LEU C C 114 178.466 178.466 178.626 -0.160 25125 1318 1 2 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.821 0.200 25125 1319 1 2 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.053 -0.220 25125 1320 1 2 . 1 1 114 114 LEU H H 114 7.840 7.840 7.734 0.106 25125 1321 1 2 . 1 1 115 115 VAL N N 115 119.480 119.480 118.398 1.082 25125 1322 1 2 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.462 -0.250 25125 1323 1 2 . 1 1 115 115 VAL C C 115 177.448 177.448 177.083 0.365 25125 1324 1 2 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.220 0.981 25125 1325 1 2 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.906 -1.234 25125 1326 1 2 . 1 1 115 115 VAL H H 115 7.824 7.824 8.040 -0.216 25125 1327 1 2 . 1 1 116 116 GLU N N 116 117.473 117.473 118.455 -0.982 25125 1328 1 2 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.981 -0.192 25125 1329 1 2 . 1 1 116 116 GLU C C 116 179.566 179.566 178.680 0.886 25125 1330 1 2 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.303 0.627 25125 1331 1 2 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.283 -0.187 25125 1332 1 2 . 1 1 116 116 GLU H H 116 8.465 8.465 7.786 0.679 25125 1333 1 2 . 1 1 117 117 ARG N N 117 120.128 120.128 119.104 1.024 25125 1334 1 2 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.106 -0.042 25125 1335 1 2 . 1 1 117 117 ARG C C 117 178.438 178.438 177.610 0.828 25125 1336 1 2 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.613 0.665 25125 1337 1 2 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.069 0.208 25125 1338 1 2 . 1 1 117 117 ARG H H 117 8.012 8.012 7.461 0.551 25125 1339 1 2 . 1 1 118 118 ALA N N 118 122.270 122.270 121.006 1.264 25125 1340 1 2 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.872 -0.416 25125 1341 1 2 . 1 1 118 118 ALA C C 118 178.741 178.741 178.493 0.248 25125 1342 1 2 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.960 0.618 25125 1343 1 2 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.796 -0.637 25125 1344 1 2 . 1 1 118 118 ALA H H 118 7.958 7.958 7.351 0.607 25125 1345 1 2 . 1 1 119 119 ILE N N 119 115.269 115.269 117.729 -2.460 25125 1346 1 2 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.018 -0.290 25125 1347 1 2 . 1 1 119 119 ILE C C 119 177.366 177.366 178.027 -0.661 25125 1348 1 2 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.531 -0.862 25125 1349 1 2 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.684 -0.886 25125 1350 1 2 . 1 1 119 119 ILE H H 119 7.753 7.753 7.580 0.173 25125 1351 1 2 . 1 1 120 120 SER N N 120 115.135 115.135 114.948 0.187 25125 1352 1 2 . 1 1 120 120 SER HA H 120 4.275 4.275 4.016 0.259 25125 1353 1 2 . 1 1 120 120 SER C C 120 175.084 175.084 175.555 -0.471 25125 1354 1 2 . 1 1 120 120 SER CA C 120 59.816 59.816 61.018 -1.202 25125 1355 1 2 . 1 1 120 120 SER CB C 120 63.380 63.380 63.021 0.359 25125 1356 1 2 . 1 1 120 120 SER H H 120 7.816 7.816 8.199 -0.383 25125 1357 1 2 . 1 1 121 121 HIS N N 121 119.908 119.908 117.634 2.274 25125 1358 1 2 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.122 0.300 25125 1359 1 2 . 1 1 121 121 HIS C C 121 175.029 175.029 176.173 -1.144 25125 1360 1 2 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.637 -1.401 25125 1361 1 2 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.553 -0.125 25125 1362 1 2 . 1 1 121 121 HIS H H 121 7.910 7.910 7.727 0.183 25125 1363 1 2 . 1 1 122 122 TYR N N 122 118.880 118.880 116.457 2.423 25125 1364 1 2 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.649 -0.223 25125 1365 1 2 . 1 1 122 122 TYR C C 122 175.276 175.276 177.501 -2.225 25125 1366 1 2 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.399 -0.950 25125 1367 1 2 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.449 -0.845 25125 1368 1 2 . 1 1 122 122 TYR H H 122 7.766 7.766 7.721 0.045 25125 1369 1 2 . 1 1 123 123 GLN N N 123 121.479 121.479 118.373 3.106 25125 1370 1 2 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.467 -0.197 25125 1371 1 2 . 1 1 123 123 GLN C C 123 174.534 174.534 176.129 -1.595 25125 1372 1 2 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.007 0.505 25125 1373 1 2 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.488 2.280 25125 1374 1 2 . 1 1 123 123 GLN H H 123 7.878 7.878 7.878 -0.000 25125 1375 1 3 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.948 0.485 25125 1376 1 3 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.184 -0.620 25125 1377 1 3 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.685 2.915 25125 1378 1 3 . 1 1 3 3 ARG N N 3 121.252 121.252 117.133 4.119 25125 1379 1 3 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.223 0.142 25125 1380 1 3 . 1 1 3 3 ARG C C 3 175.634 175.634 175.673 -0.039 25125 1381 1 3 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.708 -0.717 25125 1382 1 3 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.344 0.953 25125 1383 1 3 . 1 1 3 3 ARG H H 3 8.429 8.429 8.240 0.189 25125 1384 1 3 . 1 1 4 4 GLY N N 4 107.663 107.663 106.648 1.015 25125 1385 1 3 . 1 1 4 4 GLY C C 4 171.041 171.041 173.527 -2.486 25125 1386 1 3 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.340 0.976 25125 1387 1 3 . 1 1 4 4 GLY H H 4 7.963 7.963 7.643 0.320 25125 1388 1 3 . 1 1 5 5 ILE N N 5 122.603 122.603 125.351 -2.748 25125 1389 1 3 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.045 0.654 25125 1390 1 3 . 1 1 5 5 ILE C C 5 175.359 175.359 175.045 0.314 25125 1391 1 3 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.727 -1.117 25125 1392 1 3 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.303 0.273 25125 1393 1 3 . 1 1 5 5 ILE H H 5 9.610 9.610 8.338 1.272 25125 1394 1 3 . 1 1 6 6 VAL N N 6 127.905 127.905 124.292 3.613 25125 1395 1 3 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.964 -0.152 25125 1396 1 3 . 1 1 6 6 VAL C C 6 174.204 174.204 175.330 -1.126 25125 1397 1 3 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125 1398 1 3 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.220 0.306 25125 1399 1 3 . 1 1 6 6 VAL H H 6 9.090 9.090 7.848 1.242 25125 1400 1 3 . 1 1 7 7 TRP N N 7 127.467 127.467 126.894 0.573 25125 1401 1 3 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.328 1.126 25125 1402 1 3 . 1 1 7 7 TRP C C 7 175.056 175.056 175.068 -0.012 25125 1403 1 3 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.415 -1.537 25125 1404 1 3 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.771 0.363 25125 1405 1 3 . 1 1 7 7 TRP H H 7 8.497 8.497 8.457 0.040 25125 1406 1 3 . 1 1 8 8 VAL N N 8 122.068 122.068 117.841 4.227 25125 1407 1 3 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.521 0.565 25125 1408 1 3 . 1 1 8 8 VAL C C 8 173.874 173.874 174.173 -0.299 25125 1409 1 3 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.810 -1.324 25125 1410 1 3 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.301 -0.586 25125 1411 1 3 . 1 1 8 8 VAL H H 8 8.583 8.583 9.558 -0.975 25125 1412 1 3 . 1 1 9 9 VAL N N 9 127.733 127.733 124.899 2.834 25125 1413 1 3 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.572 0.389 25125 1414 1 3 . 1 1 9 9 VAL C C 9 173.131 173.131 173.733 -0.602 25125 1415 1 3 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.078 -1.403 25125 1416 1 3 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.347 0.564 25125 1417 1 3 . 1 1 9 9 VAL H H 9 9.107 9.107 8.839 0.268 25125 1418 1 3 . 1 1 10 10 ASP N N 10 124.306 124.306 126.050 -1.744 25125 1419 1 3 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.931 -0.362 25125 1420 1 3 . 1 1 10 10 ASP C C 10 175.029 175.029 174.444 0.585 25125 1421 1 3 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.538 2.209 25125 1422 1 3 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.210 -0.101 25125 1423 1 3 . 1 1 10 10 ASP H H 10 7.775 7.775 7.896 -0.121 25125 1424 1 3 . 1 1 11 11 ASP N N 11 126.714 126.714 118.452 8.262 25125 1425 1 3 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.980 -0.445 25125 1426 1 3 . 1 1 11 11 ASP C C 11 175.689 175.689 174.777 0.912 25125 1427 1 3 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.422 2.296 25125 1428 1 3 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.949 0.125 25125 1429 1 3 . 1 1 11 11 ASP H H 11 9.033 9.033 8.468 0.565 25125 1430 1 3 . 1 1 12 12 ASP N N 12 121.877 121.877 119.229 2.648 25125 1431 1 3 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.952 -0.306 25125 1432 1 3 . 1 1 12 12 ASP C C 12 177.036 177.036 176.568 0.468 25125 1433 1 3 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.051 0.252 25125 1434 1 3 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.835 -2.671 25125 1435 1 3 . 1 1 12 12 ASP H H 12 9.570 9.570 7.977 1.593 25125 1436 1 3 . 1 1 13 13 SER N N 13 123.799 123.799 117.756 6.043 25125 1437 1 3 . 1 1 13 13 SER HA H 13 3.761 3.761 4.374 -0.613 25125 1438 1 3 . 1 1 13 13 SER C C 13 176.156 176.156 176.116 0.040 25125 1439 1 3 . 1 1 13 13 SER CA C 13 61.186 61.186 61.489 -0.303 25125 1440 1 3 . 1 1 13 13 SER CB C 13 62.749 62.749 63.488 -0.739 25125 1441 1 3 . 1 1 13 13 SER H H 13 8.850 8.850 8.843 0.007 25125 1442 1 3 . 1 1 14 14 SER N N 14 119.123 119.123 119.139 -0.016 25125 1443 1 3 . 1 1 14 14 SER HA H 14 4.361 4.361 4.419 -0.058 25125 1444 1 3 . 1 1 14 14 SER C C 14 176.404 176.404 176.698 -0.294 25125 1445 1 3 . 1 1 14 14 SER CA C 14 61.730 61.730 61.399 0.331 25125 1446 1 3 . 1 1 14 14 SER CB C 14 62.548 62.548 62.776 -0.228 25125 1447 1 3 . 1 1 14 14 SER H H 14 8.531 8.531 8.652 -0.121 25125 1448 1 3 . 1 1 15 15 ILE N N 15 123.637 123.637 122.060 1.577 25125 1449 1 3 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.809 0.136 25125 1450 1 3 . 1 1 15 15 ILE C C 15 177.861 177.861 178.490 -0.629 25125 1451 1 3 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.418 -3.218 25125 1452 1 3 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.549 -0.663 25125 1453 1 3 . 1 1 15 15 ILE H H 15 7.206 7.206 8.265 -1.059 25125 1454 1 3 . 1 1 16 16 ARG N N 16 116.694 116.694 119.164 -2.470 25125 1455 1 3 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.221 -0.498 25125 1456 1 3 . 1 1 16 16 ARG C C 16 177.448 177.448 178.315 -0.867 25125 1457 1 3 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.758 2.815 25125 1458 1 3 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.610 0.837 25125 1459 1 3 . 1 1 16 16 ARG H H 16 7.562 7.562 7.793 -0.231 25125 1460 1 3 . 1 1 17 17 TRP N N 17 116.848 116.848 123.094 -6.246 25125 1461 1 3 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.278 0.193 25125 1462 1 3 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.116 -0.676 25125 1463 1 3 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.307 -0.015 25125 1464 1 3 . 1 1 17 17 TRP H H 17 8.005 8.005 8.295 -0.290 25125 1465 1 3 . 1 1 18 18 VAL N N 18 116.964 116.964 119.146 -2.182 25125 1466 1 3 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.684 0.991 25125 1467 1 3 . 1 1 18 18 VAL C C 18 179.181 179.181 177.655 1.526 25125 1468 1 3 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.232 0.476 25125 1469 1 3 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.288 0.349 25125 1470 1 3 . 1 1 18 18 VAL H H 18 8.110 8.110 8.490 -0.380 25125 1471 1 3 . 1 1 19 19 LEU N N 19 120.186 120.186 117.370 2.816 25125 1472 1 3 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.154 -0.079 25125 1473 1 3 . 1 1 19 19 LEU C C 19 177.778 177.778 178.941 -1.163 25125 1474 1 3 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.181 0.641 25125 1475 1 3 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.492 0.289 25125 1476 1 3 . 1 1 19 19 LEU H H 19 8.073 8.073 7.353 0.720 25125 1477 1 3 . 1 1 20 20 GLU N N 20 120.193 120.193 120.532 -0.339 25125 1478 1 3 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.088 -0.147 25125 1479 1 3 . 1 1 20 20 GLU C C 20 178.603 178.603 178.655 -0.052 25125 1480 1 3 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.495 1.115 25125 1481 1 3 . 1 1 20 20 GLU CB C 20 29.088 29.088 30.018 -0.930 25125 1482 1 3 . 1 1 20 20 GLU H H 20 8.387 8.387 8.178 0.209 25125 1483 1 3 . 1 1 21 21 ARG N N 21 116.076 116.076 118.437 -2.361 25125 1484 1 3 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.949 -0.056 25125 1485 1 3 . 1 1 21 21 ARG C C 21 179.676 179.676 178.397 1.279 25125 1486 1 3 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.086 -0.637 25125 1487 1 3 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.223 0.630 25125 1488 1 3 . 1 1 21 21 ARG H H 21 7.602 7.602 8.180 -0.578 25125 1489 1 3 . 1 1 22 22 ALA N N 22 122.405 122.405 122.310 0.095 25125 1490 1 3 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.047 0.050 25125 1491 1 3 . 1 1 22 22 ALA C C 22 180.501 180.501 179.073 1.428 25125 1492 1 3 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.606 -0.028 25125 1493 1 3 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.237 0.995 25125 1494 1 3 . 1 1 22 22 ALA H H 22 7.992 7.992 7.669 0.323 25125 1495 1 3 . 1 1 23 23 LEU N N 23 118.026 118.026 117.910 0.116 25125 1496 1 3 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.250 -0.249 25125 1497 1 3 . 1 1 23 23 LEU C C 23 178.878 178.878 179.036 -0.158 25125 1498 1 3 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.485 1.236 25125 1499 1 3 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.180 -2.525 25125 1500 1 3 . 1 1 23 23 LEU H H 23 8.825 8.825 7.382 1.443 25125 1501 1 3 . 1 1 24 24 ALA N N 24 122.159 122.159 123.019 -0.860 25125 1502 1 3 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.977 0.656 25125 1503 1 3 . 1 1 24 24 ALA C C 24 183.141 183.141 179.548 3.593 25125 1504 1 3 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.922 -0.175 25125 1505 1 3 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.415 -0.713 25125 1506 1 3 . 1 1 24 24 ALA H H 24 8.125 8.125 8.062 0.063 25125 1507 1 3 . 1 1 25 25 GLY N N 25 106.891 106.891 103.806 3.085 25125 1508 1 3 . 1 1 25 25 GLY C C 25 174.286 174.286 174.613 -0.327 25125 1509 1 3 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.155 1.266 25125 1510 1 3 . 1 1 25 25 GLY H H 25 7.870 7.870 8.079 -0.209 25125 1511 1 3 . 1 1 26 26 ALA N N 26 121.819 121.819 123.495 -1.676 25125 1512 1 3 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.627 -0.128 25125 1513 1 3 . 1 1 26 26 ALA C C 26 176.953 176.953 177.761 -0.808 25125 1514 1 3 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.492 0.028 25125 1515 1 3 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.558 -0.837 25125 1516 1 3 . 1 1 26 26 ALA H H 26 7.285 7.285 7.414 -0.129 25125 1517 1 3 . 1 1 27 27 GLY N N 27 106.197 106.197 106.760 -0.563 25125 1518 1 3 . 1 1 27 27 GLY C C 27 173.956 173.956 173.703 0.253 25125 1519 1 3 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.187 0.129 25125 1520 1 3 . 1 1 27 27 GLY H H 27 7.824 7.824 7.785 0.039 25125 1521 1 3 . 1 1 28 28 LEU N N 28 120.291 120.291 117.970 2.321 25125 1522 1 3 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.810 -0.235 25125 1523 1 3 . 1 1 28 28 LEU C C 28 175.881 175.881 176.463 -0.582 25125 1524 1 3 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.778 0.865 25125 1525 1 3 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.229 -1.744 25125 1526 1 3 . 1 1 28 28 LEU H H 28 7.678 7.678 7.629 0.049 25125 1527 1 3 . 1 1 29 29 THR N N 29 118.040 118.040 116.770 1.270 25125 1528 1 3 . 1 1 29 29 THR HA H 29 4.335 4.335 4.180 0.155 25125 1529 1 3 . 1 1 29 29 THR C C 29 173.186 173.186 174.041 -0.855 25125 1530 1 3 . 1 1 29 29 THR CA C 29 62.479 62.479 64.493 -2.014 25125 1531 1 3 . 1 1 29 29 THR CB C 29 69.465 69.465 69.556 -0.091 25125 1532 1 3 . 1 1 29 29 THR H H 29 8.527 8.527 8.522 0.005 25125 1533 1 3 . 1 1 30 30 CYS N N 30 128.387 128.387 119.048 9.339 25125 1534 1 3 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.475 0.468 25125 1535 1 3 . 1 1 30 30 CYS C C 30 173.846 173.846 173.984 -0.138 25125 1536 1 3 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.304 0.058 25125 1537 1 3 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.295 -1.815 25125 1538 1 3 . 1 1 30 30 CYS H H 30 8.968 8.968 8.356 0.612 25125 1539 1 3 . 1 1 31 31 THR N N 31 126.481 126.481 122.359 4.122 25125 1540 1 3 . 1 1 31 31 THR HA H 31 4.433 4.433 4.416 0.017 25125 1541 1 3 . 1 1 31 31 THR C C 31 172.609 172.609 173.539 -0.930 25125 1542 1 3 . 1 1 31 31 THR CA C 31 61.951 61.951 61.901 0.050 25125 1543 1 3 . 1 1 31 31 THR CB C 31 70.567 70.567 69.916 0.651 25125 1544 1 3 . 1 1 31 31 THR H H 31 8.614 8.614 8.567 0.047 25125 1545 1 3 . 1 1 32 32 THR N N 32 116.418 116.418 117.545 -1.127 25125 1546 1 3 . 1 1 32 32 THR HA H 32 5.330 5.330 4.916 0.414 25125 1547 1 3 . 1 1 32 32 THR C C 32 172.306 172.306 173.245 -0.939 25125 1548 1 3 . 1 1 32 32 THR CA C 32 59.173 59.173 60.901 -1.728 25125 1549 1 3 . 1 1 32 32 THR CB C 32 70.917 70.917 70.095 0.822 25125 1550 1 3 . 1 1 32 32 THR H H 32 8.299 8.299 8.089 0.210 25125 1551 1 3 . 1 1 33 33 PHE N N 33 118.067 118.067 123.634 -5.567 25125 1552 1 3 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.642 0.001 25125 1553 1 3 . 1 1 33 33 PHE C C 33 174.341 174.341 175.289 -0.948 25125 1554 1 3 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.463 0.069 25125 1555 1 3 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.201 1.108 25125 1556 1 3 . 1 1 33 33 PHE H H 33 8.890 8.890 8.755 0.135 25125 1557 1 3 . 1 1 34 34 GLU N N 34 118.499 118.499 116.431 2.068 25125 1558 1 3 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.753 -0.399 25125 1559 1 3 . 1 1 34 34 GLU C C 34 175.414 175.414 174.883 0.531 25125 1560 1 3 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.441 1.251 25125 1561 1 3 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.628 0.839 25125 1562 1 3 . 1 1 34 34 GLU H H 34 9.023 9.023 8.713 0.310 25125 1563 1 3 . 1 1 35 35 ASN N N 35 109.907 109.907 115.960 -6.053 25125 1564 1 3 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.879 -0.098 25125 1565 1 3 . 1 1 35 35 ASN C C 35 175.139 175.139 175.992 -0.853 25125 1566 1 3 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.501 -1.355 25125 1567 1 3 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.946 0.377 25125 1568 1 3 . 1 1 35 35 ASN H H 35 7.401 7.401 7.699 -0.298 25125 1569 1 3 . 1 1 36 36 GLY N N 36 106.739 106.739 111.879 -5.140 25125 1570 1 3 . 1 1 36 36 GLY C C 36 174.616 174.616 175.562 -0.946 25125 1571 1 3 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.992 0.024 25125 1572 1 3 . 1 1 36 36 GLY H H 36 8.877 8.877 9.015 -0.138 25125 1573 1 3 . 1 1 37 37 ASN N N 37 120.462 120.462 118.463 1.999 25125 1574 1 3 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.469 -0.107 25125 1575 1 3 . 1 1 37 37 ASN C C 37 178.686 178.686 177.445 1.241 25125 1576 1 3 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.149 0.383 25125 1577 1 3 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.705 -0.121 25125 1578 1 3 . 1 1 37 37 ASN H H 37 8.366 8.366 8.823 -0.457 25125 1579 1 3 . 1 1 38 38 GLU N N 38 119.360 119.360 118.666 0.694 25125 1580 1 3 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.314 -0.244 25125 1581 1 3 . 1 1 38 38 GLU C C 38 179.263 179.263 177.748 1.515 25125 1582 1 3 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.593 1.039 25125 1583 1 3 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.877 0.655 25125 1584 1 3 . 1 1 38 38 GLU H H 38 7.990 7.990 7.786 0.204 25125 1585 1 3 . 1 1 39 39 VAL N N 39 119.259 119.259 119.445 -0.186 25125 1586 1 3 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.105 -0.337 25125 1587 1 3 . 1 1 39 39 VAL C C 39 176.431 176.431 177.362 -0.931 25125 1588 1 3 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.069 -0.126 25125 1589 1 3 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.921 -0.846 25125 1590 1 3 . 1 1 39 39 VAL H H 39 6.883 6.883 7.079 -0.196 25125 1591 1 3 . 1 1 40 40 LEU N N 40 119.627 119.627 120.980 -1.353 25125 1592 1 3 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.975 -0.048 25125 1593 1 3 . 1 1 40 40 LEU C C 40 179.538 179.538 177.989 1.549 25125 1594 1 3 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.013 -0.073 25125 1595 1 3 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.524 -0.456 25125 1596 1 3 . 1 1 40 40 LEU H H 40 7.692 7.692 8.469 -0.777 25125 1597 1 3 . 1 1 41 41 ALA N N 41 120.051 120.051 120.129 -0.078 25125 1598 1 3 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.122 0.018 25125 1599 1 3 . 1 1 41 41 ALA C C 41 180.528 180.528 179.694 0.834 25125 1600 1 3 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.590 0.060 25125 1601 1 3 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.859 0.007 25125 1602 1 3 . 1 1 41 41 ALA H H 41 7.553 7.553 7.946 -0.393 25125 1603 1 3 . 1 1 42 42 ALA N N 42 122.731 122.731 122.357 0.374 25125 1604 1 3 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.168 0.031 25125 1605 1 3 . 1 1 42 42 ALA C C 42 180.198 180.198 180.162 0.036 25125 1606 1 3 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.626 0.406 25125 1607 1 3 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.010 1.389 25125 1608 1 3 . 1 1 42 42 ALA H H 42 7.604 7.604 7.283 0.321 25125 1609 1 3 . 1 1 43 43 LEU N N 43 119.131 119.131 117.733 1.398 25125 1610 1 3 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.147 1.059 25125 1611 1 3 . 1 1 43 43 LEU C C 43 177.421 177.421 178.147 -0.726 25125 1612 1 3 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.168 -1.623 25125 1613 1 3 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.174 1.430 25125 1614 1 3 . 1 1 43 43 LEU H H 43 8.288 8.288 7.894 0.394 25125 1615 1 3 . 1 1 44 44 ALA N N 44 119.065 119.065 118.918 0.147 25125 1616 1 3 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.348 -0.119 25125 1617 1 3 . 1 1 44 44 ALA C C 44 178.686 178.686 178.066 0.620 25125 1618 1 3 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.461 0.777 25125 1619 1 3 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.795 -0.279 25125 1620 1 3 . 1 1 44 44 ALA H H 44 7.302 7.302 7.765 -0.463 25125 1621 1 3 . 1 1 45 45 SER N N 45 108.656 108.656 112.009 -3.353 25125 1622 1 3 . 1 1 45 45 SER HA H 45 4.742 4.742 4.664 0.078 25125 1623 1 3 . 1 1 45 45 SER C C 45 173.296 173.296 173.884 -0.588 25125 1624 1 3 . 1 1 45 45 SER CA C 45 58.656 58.656 58.641 0.015 25125 1625 1 3 . 1 1 45 45 SER CB C 45 65.407 65.407 63.981 1.426 25125 1626 1 3 . 1 1 45 45 SER H H 45 7.728 7.728 7.657 0.071 25125 1627 1 3 . 1 1 46 46 LYS N N 46 123.016 123.016 119.683 3.333 25125 1628 1 3 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.424 0.162 25125 1629 1 3 . 1 1 46 46 LYS C C 46 172.719 172.719 175.094 -2.375 25125 1630 1 3 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.918 -1.406 25125 1631 1 3 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.186 2.039 25125 1632 1 3 . 1 1 46 46 LYS H H 46 8.101 8.101 7.704 0.397 25125 1633 1 3 . 1 1 47 47 THR N N 47 111.780 111.780 115.020 -3.240 25125 1634 1 3 . 1 1 47 47 THR HA H 47 4.282 4.282 3.811 0.471 25125 1635 1 3 . 1 1 47 47 THR CA C 47 57.806 57.806 61.686 -3.880 25125 1636 1 3 . 1 1 47 47 THR CB C 47 70.594 70.594 67.470 3.124 25125 1637 1 3 . 1 1 47 47 THR H H 47 7.677 7.677 7.803 -0.126 25125 1638 1 3 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.867 0.038 25125 1639 1 3 . 1 1 48 48 PRO C C 48 172.966 172.966 175.973 -3.007 25125 1640 1 3 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.029 -1.164 25125 1641 1 3 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.685 -1.408 25125 1642 1 3 . 1 1 49 49 ASP N N 49 115.035 115.035 118.577 -3.542 25125 1643 1 3 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.651 -0.207 25125 1644 1 3 . 1 1 49 49 ASP C C 49 175.634 175.634 174.797 0.837 25125 1645 1 3 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.462 0.985 25125 1646 1 3 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.086 0.426 25125 1647 1 3 . 1 1 49 49 ASP H H 49 8.502 8.502 8.226 0.276 25125 1648 1 3 . 1 1 50 50 VAL N N 50 112.082 112.082 115.233 -3.151 25125 1649 1 3 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.640 -0.360 25125 1650 1 3 . 1 1 50 50 VAL C C 50 171.454 171.454 173.051 -1.597 25125 1651 1 3 . 1 1 50 50 VAL CA C 50 60.562 60.562 60.953 -0.391 25125 1652 1 3 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.841 0.795 25125 1653 1 3 . 1 1 50 50 VAL H H 50 7.173 7.173 7.118 0.055 25125 1654 1 3 . 1 1 51 51 LEU N N 51 128.247 128.247 124.811 3.436 25125 1655 1 3 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.227 0.092 25125 1656 1 3 . 1 1 51 51 LEU C C 51 173.104 173.104 174.525 -1.421 25125 1657 1 3 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.665 -0.447 25125 1658 1 3 . 1 1 51 51 LEU CB C 51 46.506 46.506 47.158 -0.652 25125 1659 1 3 . 1 1 51 51 LEU H H 51 8.059 8.059 8.095 -0.036 25125 1660 1 3 . 1 1 52 52 LEU N N 52 128.407 128.407 122.609 5.798 25125 1661 1 3 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.336 0.165 25125 1662 1 3 . 1 1 52 52 LEU C C 52 175.414 175.414 176.382 -0.968 25125 1663 1 3 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.793 0.530 25125 1664 1 3 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.402 2.119 25125 1665 1 3 . 1 1 52 52 LEU H H 52 9.242 9.242 8.527 0.715 25125 1666 1 3 . 1 1 53 53 SER N N 53 114.946 114.946 118.769 -3.823 25125 1667 1 3 . 1 1 53 53 SER HA H 53 5.595 5.595 4.459 1.136 25125 1668 1 3 . 1 1 53 53 SER C C 53 174.644 174.644 173.609 1.035 25125 1669 1 3 . 1 1 53 53 SER CA C 53 55.954 55.954 58.273 -2.319 25125 1670 1 3 . 1 1 53 53 SER CB C 53 66.473 66.473 65.093 1.380 25125 1671 1 3 . 1 1 53 53 SER H H 53 8.695 8.695 8.141 0.554 25125 1672 1 3 . 1 1 54 54 ASP N N 54 128.341 128.341 125.501 2.840 25125 1673 1 3 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.875 0.450 25125 1674 1 3 . 1 1 54 54 ASP C C 54 176.816 176.816 176.394 0.422 25125 1675 1 3 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.869 0.624 25125 1676 1 3 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.578 -0.249 25125 1677 1 3 . 1 1 54 54 ASP H H 54 7.886 7.886 8.085 -0.199 25125 1678 1 3 . 1 1 55 55 ILE N N 55 121.229 121.229 117.779 3.450 25125 1679 1 3 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.772 0.413 25125 1680 1 3 . 1 1 55 55 ILE C C 55 175.084 175.084 174.508 0.576 25125 1681 1 3 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.113 -0.571 25125 1682 1 3 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.135 2.894 25125 1683 1 3 . 1 1 55 55 ILE H H 55 8.722 8.722 7.857 0.865 25125 1684 1 3 . 1 1 56 56 ARG N N 56 124.188 124.188 121.916 2.272 25125 1685 1 3 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.368 0.137 25125 1686 1 3 . 1 1 56 56 ARG C C 56 175.661 175.661 175.894 -0.233 25125 1687 1 3 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.225 -0.784 25125 1688 1 3 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.943 -2.581 25125 1689 1 3 . 1 1 56 56 ARG H H 56 8.499 8.499 8.540 -0.041 25125 1690 1 3 . 1 1 57 57 MET N N 57 122.581 122.581 118.632 3.949 25125 1691 1 3 . 1 1 57 57 MET HA H 57 4.821 4.821 4.492 0.329 25125 1692 1 3 . 1 1 57 57 MET CA C 57 53.132 53.132 55.122 -1.990 25125 1693 1 3 . 1 1 57 57 MET CB C 57 33.445 33.445 31.998 1.447 25125 1694 1 3 . 1 1 57 57 MET H H 57 7.956 7.956 8.013 -0.057 25125 1695 1 3 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.423 -0.030 25125 1696 1 3 . 1 1 58 58 PRO C C 58 177.806 177.806 178.318 -0.512 25125 1697 1 3 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.541 -1.042 25125 1698 1 3 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.939 -0.132 25125 1699 1 3 . 1 1 59 59 GLY N N 59 111.082 111.082 108.259 2.823 25125 1700 1 3 . 1 1 59 59 GLY C C 59 173.626 173.626 174.523 -0.897 25125 1701 1 3 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.310 0.280 25125 1702 1 3 . 1 1 59 59 GLY H H 59 8.653 8.653 8.318 0.335 25125 1703 1 3 . 1 1 60 60 MET N N 60 120.052 120.052 120.250 -0.198 25125 1704 1 3 . 1 1 60 60 MET HA H 60 4.525 4.525 4.452 0.073 25125 1705 1 3 . 1 1 60 60 MET C C 60 173.956 173.956 176.083 -2.127 25125 1706 1 3 . 1 1 60 60 MET CA C 60 55.047 55.047 55.136 -0.089 25125 1707 1 3 . 1 1 60 60 MET CB C 60 34.506 34.506 33.114 1.392 25125 1708 1 3 . 1 1 60 60 MET H H 60 7.968 7.968 8.075 -0.107 25125 1709 1 3 . 1 1 61 61 ASP N N 61 121.306 121.306 121.775 -0.469 25125 1710 1 3 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.561 0.143 25125 1711 1 3 . 1 1 61 61 ASP C C 61 176.761 176.761 177.331 -0.570 25125 1712 1 3 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.069 -1.340 25125 1713 1 3 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.689 -0.620 25125 1714 1 3 . 1 1 61 61 ASP H H 61 8.379 8.379 8.622 -0.243 25125 1715 1 3 . 1 1 62 62 GLY N N 62 110.874 110.874 107.193 3.681 25125 1716 1 3 . 1 1 62 62 GLY C C 62 175.194 175.194 175.455 -0.261 25125 1717 1 3 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.853 1.248 25125 1718 1 3 . 1 1 62 62 GLY H H 62 8.707 8.707 8.117 0.590 25125 1719 1 3 . 1 1 63 63 LEU N N 63 121.299 121.299 121.863 -0.564 25125 1720 1 3 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.641 -0.464 25125 1721 1 3 . 1 1 63 63 LEU C C 63 178.356 178.356 178.098 0.258 25125 1722 1 3 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.649 1.229 25125 1723 1 3 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.565 0.673 25125 1724 1 3 . 1 1 63 63 LEU H H 63 8.045 8.045 7.871 0.174 25125 1725 1 3 . 1 1 64 64 ALA N N 64 122.741 122.741 122.856 -0.115 25125 1726 1 3 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125 1727 1 3 . 1 1 64 64 ALA C C 64 180.556 180.556 179.340 1.216 25125 1728 1 3 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.114 -0.499 25125 1729 1 3 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.778 0.222 25125 1730 1 3 . 1 1 64 64 ALA H H 64 7.859 7.859 8.251 -0.392 25125 1731 1 3 . 1 1 65 65 LEU N N 65 120.287 120.287 115.012 5.275 25125 1732 1 3 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.421 -0.359 25125 1733 1 3 . 1 1 65 65 LEU C C 65 178.191 178.191 178.462 -0.271 25125 1734 1 3 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.816 1.203 25125 1735 1 3 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.179 -0.941 25125 1736 1 3 . 1 1 65 65 LEU H H 65 8.022 8.022 7.647 0.375 25125 1737 1 3 . 1 1 66 66 LEU N N 66 118.738 118.738 120.737 -1.999 25125 1738 1 3 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.188 -0.330 25125 1739 1 3 . 1 1 66 66 LEU C C 66 178.631 178.631 178.873 -0.242 25125 1740 1 3 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.482 1.864 25125 1741 1 3 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.779 0.459 25125 1742 1 3 . 1 1 66 66 LEU H H 66 8.101 8.101 7.716 0.385 25125 1743 1 3 . 1 1 67 67 LYS N N 67 117.842 117.842 117.791 0.051 25125 1744 1 3 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.116 -0.134 25125 1745 1 3 . 1 1 67 67 LYS C C 67 179.263 179.263 178.851 0.412 25125 1746 1 3 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.219 0.578 25125 1747 1 3 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.260 -0.053 25125 1748 1 3 . 1 1 67 67 LYS H H 67 8.010 8.010 8.374 -0.364 25125 1749 1 3 . 1 1 68 68 GLN N N 68 118.875 118.875 118.299 0.576 25125 1750 1 3 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.264 -0.208 25125 1751 1 3 . 1 1 68 68 GLN C C 68 179.071 179.071 177.473 1.598 25125 1752 1 3 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.281 0.792 25125 1753 1 3 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.609 0.002 25125 1754 1 3 . 1 1 68 68 GLN H H 68 7.809 7.809 7.514 0.295 25125 1755 1 3 . 1 1 69 69 ILE N N 69 120.377 120.377 121.867 -1.490 25125 1756 1 3 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.969 -0.439 25125 1757 1 3 . 1 1 69 69 ILE C C 69 177.421 177.421 178.326 -0.905 25125 1758 1 3 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.825 1.053 25125 1759 1 3 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.746 -0.162 25125 1760 1 3 . 1 1 69 69 ILE H H 69 8.481 8.481 7.667 0.814 25125 1761 1 3 . 1 1 70 70 LYS N N 70 117.873 117.873 118.811 -0.938 25125 1762 1 3 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.103 -0.143 25125 1763 1 3 . 1 1 70 70 LYS C C 70 178.053 178.053 178.327 -0.274 25125 1764 1 3 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.955 -1.867 25125 1765 1 3 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.028 -0.816 25125 1766 1 3 . 1 1 70 70 LYS H H 70 8.220 8.220 7.708 0.512 25125 1767 1 3 . 1 1 71 71 GLN N N 71 116.315 116.315 118.669 -2.354 25125 1768 1 3 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.096 -0.104 25125 1769 1 3 . 1 1 71 71 GLN C C 71 177.366 177.366 177.783 -0.417 25125 1770 1 3 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.319 -0.129 25125 1771 1 3 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.911 -0.246 25125 1772 1 3 . 1 1 71 71 GLN H H 71 7.601 7.601 7.669 -0.068 25125 1773 1 3 . 1 1 72 72 ARG N N 72 116.530 116.530 117.089 -0.559 25125 1774 1 3 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.000 0.030 25125 1775 1 3 . 1 1 72 72 ARG C C 72 175.826 175.826 176.198 -0.372 25125 1776 1 3 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.015 0.207 25125 1777 1 3 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.975 0.827 25125 1778 1 3 . 1 1 72 72 ARG H H 72 7.301 7.301 8.001 -0.700 25125 1779 1 3 . 1 1 73 73 HIS N N 73 116.755 116.755 116.537 0.218 25125 1780 1 3 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.864 0.096 25125 1781 1 3 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.160 0.058 25125 1782 1 3 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.295 0.267 25125 1783 1 3 . 1 1 73 73 HIS H H 73 8.331 8.331 7.643 0.688 25125 1784 1 3 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.447 0.052 25125 1785 1 3 . 1 1 74 74 PRO C C 74 178.466 178.466 178.043 0.423 25125 1786 1 3 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.044 0.068 25125 1787 1 3 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.277 -0.182 25125 1788 1 3 . 1 1 75 75 MET N N 75 114.814 114.814 114.299 0.515 25125 1789 1 3 . 1 1 75 75 MET HA H 75 4.567 4.567 4.601 -0.034 25125 1790 1 3 . 1 1 75 75 MET C C 75 176.046 176.046 175.728 0.318 25125 1791 1 3 . 1 1 75 75 MET CA C 75 54.266 54.266 55.457 -1.191 25125 1792 1 3 . 1 1 75 75 MET CB C 75 31.288 31.288 32.237 -0.949 25125 1793 1 3 . 1 1 75 75 MET H H 75 8.623 8.623 7.726 0.897 25125 1794 1 3 . 1 1 76 76 LEU N N 76 125.533 125.533 123.774 1.759 25125 1795 1 3 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.776 -0.471 25125 1796 1 3 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.004 2.108 25125 1797 1 3 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.017 -0.331 25125 1798 1 3 . 1 1 76 76 LEU H H 76 7.337 7.337 7.233 0.104 25125 1799 1 3 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.537 -0.091 25125 1800 1 3 . 1 1 77 77 PRO C C 77 174.974 174.974 175.686 -0.712 25125 1801 1 3 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.694 0.133 25125 1802 1 3 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.033 -0.311 25125 1803 1 3 . 1 1 78 78 VAL N N 78 123.779 123.779 122.367 1.412 25125 1804 1 3 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.577 0.447 25125 1805 1 3 . 1 1 78 78 VAL C C 78 175.441 175.441 175.262 0.179 25125 1806 1 3 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.610 -0.417 25125 1807 1 3 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.416 -1.122 25125 1808 1 3 . 1 1 78 78 VAL H H 78 8.317 8.317 8.089 0.228 25125 1809 1 3 . 1 1 79 79 ILE N N 79 128.334 128.334 120.323 8.011 25125 1810 1 3 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.830 -0.349 25125 1811 1 3 . 1 1 79 79 ILE C C 79 174.479 174.479 174.595 -0.116 25125 1812 1 3 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.056 -0.534 25125 1813 1 3 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.231 -2.268 25125 1814 1 3 . 1 1 79 79 ILE H H 79 9.292 9.292 8.815 0.477 25125 1815 1 3 . 1 1 80 80 ILE N N 80 127.023 127.023 125.361 1.662 25125 1816 1 3 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.299 0.560 25125 1817 1 3 . 1 1 80 80 ILE C C 80 175.029 175.029 175.284 -0.255 25125 1818 1 3 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.760 -1.603 25125 1819 1 3 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.356 -1.412 25125 1820 1 3 . 1 1 80 80 ILE H H 80 7.938 7.938 8.853 -0.915 25125 1821 1 3 . 1 1 81 81 MET N N 81 127.255 127.255 124.672 2.583 25125 1822 1 3 . 1 1 81 81 MET HA H 81 5.521 5.521 5.403 0.118 25125 1823 1 3 . 1 1 81 81 MET C C 81 174.534 174.534 175.884 -1.350 25125 1824 1 3 . 1 1 81 81 MET CA C 81 53.513 53.513 54.967 -1.454 25125 1825 1 3 . 1 1 81 81 MET CB C 81 35.483 35.483 35.777 -0.294 25125 1826 1 3 . 1 1 81 81 MET H H 81 8.801 8.801 8.780 0.021 25125 1827 1 3 . 1 1 82 82 THR N N 82 112.857 112.857 117.225 -4.368 25125 1828 1 3 . 1 1 82 82 THR HA H 82 4.914 4.914 4.433 0.481 25125 1829 1 3 . 1 1 82 82 THR C C 82 172.581 172.581 174.393 -1.812 25125 1830 1 3 . 1 1 82 82 THR CA C 82 59.561 59.561 64.527 -4.966 25125 1831 1 3 . 1 1 82 82 THR CB C 82 69.989 69.989 69.584 0.405 25125 1832 1 3 . 1 1 82 82 THR H H 82 7.623 7.623 8.480 -0.857 25125 1833 1 3 . 1 1 83 83 ALA N N 83 129.541 129.541 123.658 5.883 25125 1834 1 3 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.942 0.766 25125 1835 1 3 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.179 -1.641 25125 1836 1 3 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.901 2.246 25125 1837 1 3 . 1 1 83 83 ALA H H 83 9.149 9.149 8.260 0.889 25125 1838 1 3 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.475 -0.203 25125 1839 1 3 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.223 4.477 25125 1840 1 3 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.390 0.628 25125 1841 1 3 . 1 1 85 85 SER N N 85 112.633 112.633 114.166 -1.533 25125 1842 1 3 . 1 1 85 85 SER HA H 85 4.198 4.198 4.061 0.137 25125 1843 1 3 . 1 1 85 85 SER C C 85 174.506 174.506 173.434 1.072 25125 1844 1 3 . 1 1 85 85 SER CA C 85 59.823 59.823 60.319 -0.496 25125 1845 1 3 . 1 1 85 85 SER CB C 85 62.693 62.693 62.362 0.331 25125 1846 1 3 . 1 1 85 85 SER H H 85 8.224 8.224 8.604 -0.380 25125 1847 1 3 . 1 1 86 86 ASP N N 86 120.886 120.886 123.885 -2.999 25125 1848 1 3 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.399 0.537 25125 1849 1 3 . 1 1 86 86 ASP C C 86 175.881 175.881 176.541 -0.660 25125 1850 1 3 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.763 -1.829 25125 1851 1 3 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.995 1.008 25125 1852 1 3 . 1 1 86 86 ASP H H 86 7.608 7.608 8.088 -0.480 25125 1853 1 3 . 1 1 87 87 LEU N N 87 121.913 121.913 121.713 0.200 25125 1854 1 3 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.781 0.138 25125 1855 1 3 . 1 1 87 87 LEU C C 87 177.586 177.586 177.774 -0.188 25125 1856 1 3 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.298 -0.461 25125 1857 1 3 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.674 0.641 25125 1858 1 3 . 1 1 87 87 LEU H H 87 7.498 7.498 7.508 -0.010 25125 1859 1 3 . 1 1 88 88 ASP N N 88 117.621 117.621 117.788 -0.167 25125 1860 1 3 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.222 0.050 25125 1861 1 3 . 1 1 88 88 ASP C C 88 178.246 178.246 177.615 0.631 25125 1862 1 3 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.332 -0.522 25125 1863 1 3 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.514 -0.380 25125 1864 1 3 . 1 1 88 88 ASP H H 88 8.322 8.322 8.789 -0.467 25125 1865 1 3 . 1 1 89 89 ALA N N 89 122.874 122.874 120.552 2.322 25125 1866 1 3 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.344 -0.250 25125 1867 1 3 . 1 1 89 89 ALA C C 89 179.346 179.346 179.165 0.181 25125 1868 1 3 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.265 -0.112 25125 1869 1 3 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.656 -0.395 25125 1870 1 3 . 1 1 89 89 ALA H H 89 7.838 7.838 7.125 0.713 25125 1871 1 3 . 1 1 90 90 ALA N N 90 121.673 121.673 121.495 0.178 25125 1872 1 3 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.109 -0.176 25125 1873 1 3 . 1 1 90 90 ALA C C 90 178.686 178.686 179.990 -1.304 25125 1874 1 3 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.441 0.222 25125 1875 1 3 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.478 -0.096 25125 1876 1 3 . 1 1 90 90 ALA H H 90 7.896 7.896 7.574 0.322 25125 1877 1 3 . 1 1 91 91 VAL N N 91 117.749 117.749 119.502 -1.753 25125 1878 1 3 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.972 -0.360 25125 1879 1 3 . 1 1 91 91 VAL C C 91 178.411 178.411 177.349 1.062 25125 1880 1 3 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.088 -0.907 25125 1881 1 3 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.758 -0.121 25125 1882 1 3 . 1 1 91 91 VAL H H 91 8.098 8.098 8.696 -0.598 25125 1883 1 3 . 1 1 92 92 SER N N 92 114.942 114.942 113.331 1.611 25125 1884 1 3 . 1 1 92 92 SER HA H 92 4.231 4.231 4.450 -0.219 25125 1885 1 3 . 1 1 92 92 SER C C 92 175.826 175.826 175.318 0.508 25125 1886 1 3 . 1 1 92 92 SER CA C 92 60.649 60.649 59.944 0.705 25125 1887 1 3 . 1 1 92 92 SER CB C 92 63.063 63.063 63.788 -0.726 25125 1888 1 3 . 1 1 92 92 SER H H 92 7.825 7.825 7.815 0.010 25125 1889 1 3 . 1 1 93 93 ALA N N 93 122.580 122.580 124.566 -1.986 25125 1890 1 3 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.183 -0.126 25125 1891 1 3 . 1 1 93 93 ALA C C 93 178.906 178.906 179.293 -0.387 25125 1892 1 3 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.571 -0.254 25125 1893 1 3 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.343 -0.045 25125 1894 1 3 . 1 1 93 93 ALA H H 93 7.861 7.861 7.965 -0.104 25125 1895 1 3 . 1 1 94 94 TYR N N 94 118.447 118.447 120.686 -2.239 25125 1896 1 3 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.348 0.144 25125 1897 1 3 . 1 1 94 94 TYR C C 94 177.393 177.393 177.571 -0.178 25125 1898 1 3 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.767 -0.516 25125 1899 1 3 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.199 0.235 25125 1900 1 3 . 1 1 94 94 TYR H H 94 8.150 8.150 7.976 0.174 25125 1901 1 3 . 1 1 95 95 GLN N N 95 119.787 119.787 115.719 4.068 25125 1902 1 3 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.031 0.012 25125 1903 1 3 . 1 1 95 95 GLN C C 95 176.981 176.981 176.384 0.597 25125 1904 1 3 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.867 0.599 25125 1905 1 3 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.945 0.144 25125 1906 1 3 . 1 1 95 95 GLN H H 95 8.271 8.271 8.101 0.170 25125 1907 1 3 . 1 1 96 96 GLN N N 96 117.878 117.878 117.232 0.646 25125 1908 1 3 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.219 0.126 25125 1909 1 3 . 1 1 96 96 GLN C C 96 175.854 175.854 176.305 -0.451 25125 1910 1 3 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.194 -0.023 25125 1911 1 3 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.242 0.233 25125 1912 1 3 . 1 1 96 96 GLN H H 96 7.944 7.944 7.675 0.269 25125 1913 1 3 . 1 1 97 97 GLY N N 97 106.670 106.670 106.008 0.662 25125 1914 1 3 . 1 1 97 97 GLY C C 97 174.231 174.231 173.048 1.183 25125 1915 1 3 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.737 0.749 25125 1916 1 3 . 1 1 97 97 GLY H H 97 7.949 7.949 7.866 0.083 25125 1917 1 3 . 1 1 98 98 ALA N N 98 122.898 122.898 121.214 1.684 25125 1918 1 3 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.458 -0.083 25125 1919 1 3 . 1 1 98 98 ALA C C 98 175.991 175.991 175.589 0.402 25125 1920 1 3 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.042 2.126 25125 1921 1 3 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.157 -1.188 25125 1922 1 3 . 1 1 98 98 ALA H H 98 7.808 7.808 7.152 0.656 25125 1923 1 3 . 1 1 99 99 PHE N N 99 123.484 123.484 120.239 3.245 25125 1924 1 3 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.386 -0.036 25125 1925 1 3 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.730 1.726 25125 1926 1 3 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.024 -0.584 25125 1927 1 3 . 1 1 99 99 PHE H H 99 7.704 7.704 8.331 -0.627 25125 1928 1 3 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.879 0.625 25125 1929 1 3 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.681 -2.199 25125 1930 1 3 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.338 3.862 25125 1931 1 3 . 1 1 101 101 TYR N N 101 118.148 118.148 119.235 -1.087 25125 1932 1 3 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.505 0.943 25125 1933 1 3 . 1 1 101 101 TYR C C 101 173.159 173.159 174.495 -1.336 25125 1934 1 3 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.580 -0.593 25125 1935 1 3 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.118 2.780 25125 1936 1 3 . 1 1 101 101 TYR H H 101 9.546 9.546 7.394 2.152 25125 1937 1 3 . 1 1 102 102 LEU N N 102 124.100 124.100 120.721 3.379 25125 1938 1 3 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.064 -0.344 25125 1939 1 3 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.398 -0.898 25125 1940 1 3 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.715 -0.654 25125 1941 1 3 . 1 1 102 102 LEU H H 102 8.901 8.901 8.854 0.047 25125 1942 1 3 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.548 0.344 25125 1943 1 3 . 1 1 103 103 PRO C C 103 175.524 175.524 175.498 0.026 25125 1944 1 3 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.539 -0.654 25125 1945 1 3 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.329 -0.522 25125 1946 1 3 . 1 1 104 104 LYS N N 104 118.848 118.848 120.216 -1.368 25125 1947 1 3 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.975 -0.462 25125 1948 1 3 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.846 0.372 25125 1949 1 3 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.742 2.002 25125 1950 1 3 . 1 1 104 104 LYS H H 104 8.279 8.279 8.144 0.135 25125 1951 1 3 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.323 -0.024 25125 1952 1 3 . 1 1 105 105 PRO C C 105 175.001 175.001 175.577 -0.576 25125 1953 1 3 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.875 -0.481 25125 1954 1 3 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.079 2.016 25125 1955 1 3 . 1 1 106 106 PHE N N 106 116.607 116.607 115.847 0.760 25125 1956 1 3 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.728 0.442 25125 1957 1 3 . 1 1 106 106 PHE C C 106 175.221 175.221 174.202 1.019 25125 1958 1 3 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.157 -2.721 25125 1959 1 3 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.210 0.190 25125 1960 1 3 . 1 1 106 106 PHE H H 106 7.457 7.457 7.618 -0.161 25125 1961 1 3 . 1 1 107 107 ASP N N 107 122.214 122.214 121.987 0.227 25125 1962 1 3 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.077 -0.245 25125 1963 1 3 . 1 1 107 107 ASP C C 107 177.778 177.778 177.191 0.587 25125 1964 1 3 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.562 -0.320 25125 1965 1 3 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.571 1.026 25125 1966 1 3 . 1 1 107 107 ASP H H 107 9.022 9.022 8.511 0.511 25125 1967 1 3 . 1 1 108 108 ILE N N 108 127.706 127.706 124.860 2.846 25125 1968 1 3 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.728 0.237 25125 1969 1 3 . 1 1 108 108 ILE C C 108 176.046 176.046 177.496 -1.450 25125 1970 1 3 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.615 -1.626 25125 1971 1 3 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.067 -0.313 25125 1972 1 3 . 1 1 108 108 ILE H H 108 8.860 8.860 8.864 -0.004 25125 1973 1 3 . 1 1 109 109 ASP N N 109 120.058 120.058 119.174 0.884 25125 1974 1 3 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.380 0.008 25125 1975 1 3 . 1 1 109 109 ASP C C 109 179.786 179.786 178.704 1.082 25125 1976 1 3 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.561 -0.067 25125 1977 1 3 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.497 -0.443 25125 1978 1 3 . 1 1 109 109 ASP H H 109 8.079 8.079 8.598 -0.519 25125 1979 1 3 . 1 1 110 110 GLU N N 110 121.559 121.559 119.445 2.114 25125 1980 1 3 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125 1981 1 3 . 1 1 110 110 GLU C C 110 179.043 179.043 178.390 0.653 25125 1982 1 3 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.382 0.444 25125 1983 1 3 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.859 -0.516 25125 1984 1 3 . 1 1 110 110 GLU H H 110 8.012 8.012 7.998 0.014 25125 1985 1 3 . 1 1 111 111 ALA N N 111 122.267 122.267 123.630 -1.363 25125 1986 1 3 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.923 -0.169 25125 1987 1 3 . 1 1 111 111 ALA C C 111 178.493 178.493 179.435 -0.942 25125 1988 1 3 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.258 -0.086 25125 1989 1 3 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.087 0.295 25125 1990 1 3 . 1 1 111 111 ALA H H 111 7.897 7.897 8.285 -0.388 25125 1991 1 3 . 1 1 112 112 VAL N N 112 116.527 116.527 117.870 -1.343 25125 1992 1 3 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.623 -0.456 25125 1993 1 3 . 1 1 112 112 VAL C C 112 177.201 177.201 178.176 -0.975 25125 1994 1 3 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.567 0.578 25125 1995 1 3 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.092 0.460 25125 1996 1 3 . 1 1 112 112 VAL H H 112 8.018 8.018 8.327 -0.309 25125 1997 1 3 . 1 1 113 113 ALA N N 113 119.895 119.895 121.525 -1.630 25125 1998 1 3 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.167 -0.029 25125 1999 1 3 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.557 0.275 25125 2000 1 3 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.526 -0.654 25125 2001 1 3 . 1 1 113 113 ALA H H 113 7.673 7.673 7.368 0.305 25125 2002 1 3 . 1 1 114 114 LEU N N 114 120.650 120.650 120.554 0.096 25125 2003 1 3 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.062 0.021 25125 2004 1 3 . 1 1 114 114 LEU C C 114 178.466 178.466 178.544 -0.078 25125 2005 1 3 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.732 0.288 25125 2006 1 3 . 1 1 114 114 LEU CB C 114 41.833 41.833 41.965 -0.132 25125 2007 1 3 . 1 1 114 114 LEU H H 114 7.840 7.840 7.720 0.120 25125 2008 1 3 . 1 1 115 115 VAL N N 115 119.480 119.480 118.237 1.243 25125 2009 1 3 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.494 -0.282 25125 2010 1 3 . 1 1 115 115 VAL C C 115 177.448 177.448 177.052 0.396 25125 2011 1 3 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.100 1.101 25125 2012 1 3 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.686 -1.014 25125 2013 1 3 . 1 1 115 115 VAL H H 115 7.824 7.824 7.842 -0.018 25125 2014 1 3 . 1 1 116 116 GLU N N 116 117.473 117.473 118.342 -0.869 25125 2015 1 3 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.876 -0.087 25125 2016 1 3 . 1 1 116 116 GLU C C 116 179.566 179.566 178.642 0.924 25125 2017 1 3 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.769 0.161 25125 2018 1 3 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.323 -0.227 25125 2019 1 3 . 1 1 116 116 GLU H H 116 8.465 8.465 7.661 0.804 25125 2020 1 3 . 1 1 117 117 ARG N N 117 120.128 120.128 117.993 2.135 25125 2021 1 3 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.051 0.013 25125 2022 1 3 . 1 1 117 117 ARG C C 117 178.438 178.438 178.280 0.158 25125 2023 1 3 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.661 0.617 25125 2024 1 3 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.897 0.380 25125 2025 1 3 . 1 1 117 117 ARG H H 117 8.012 8.012 7.494 0.518 25125 2026 1 3 . 1 1 118 118 ALA N N 118 122.270 122.270 120.974 1.296 25125 2027 1 3 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.850 -0.394 25125 2028 1 3 . 1 1 118 118 ALA C C 118 178.741 178.741 178.600 0.141 25125 2029 1 3 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.089 0.489 25125 2030 1 3 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.262 -0.104 25125 2031 1 3 . 1 1 118 118 ALA H H 118 7.958 7.958 7.194 0.764 25125 2032 1 3 . 1 1 119 119 ILE N N 119 115.269 115.269 117.388 -2.119 25125 2033 1 3 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.350 0.378 25125 2034 1 3 . 1 1 119 119 ILE C C 119 177.366 177.366 177.918 -0.552 25125 2035 1 3 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.540 -0.871 25125 2036 1 3 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.150 -0.352 25125 2037 1 3 . 1 1 119 119 ILE H H 119 7.753 7.753 7.639 0.114 25125 2038 1 3 . 1 1 120 120 SER N N 120 115.135 115.135 114.641 0.494 25125 2039 1 3 . 1 1 120 120 SER HA H 120 4.275 4.275 4.112 0.163 25125 2040 1 3 . 1 1 120 120 SER C C 120 175.084 175.084 176.552 -1.468 25125 2041 1 3 . 1 1 120 120 SER CA C 120 59.816 59.816 61.222 -1.406 25125 2042 1 3 . 1 1 120 120 SER CB C 120 63.380 63.380 62.779 0.601 25125 2043 1 3 . 1 1 120 120 SER H H 120 7.816 7.816 8.395 -0.579 25125 2044 1 3 . 1 1 121 121 HIS N N 121 119.908 119.908 121.079 -1.171 25125 2045 1 3 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.222 0.200 25125 2046 1 3 . 1 1 121 121 HIS C C 121 175.029 175.029 175.175 -0.146 25125 2047 1 3 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.244 -1.008 25125 2048 1 3 . 1 1 121 121 HIS CB C 121 29.428 29.428 30.084 -0.656 25125 2049 1 3 . 1 1 121 121 HIS H H 121 7.910 7.910 7.304 0.606 25125 2050 1 3 . 1 1 122 122 TYR N N 122 118.880 118.880 114.007 4.873 25125 2051 1 3 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.887 -0.461 25125 2052 1 3 . 1 1 122 122 TYR C C 122 175.276 175.276 174.364 0.912 25125 2053 1 3 . 1 1 122 122 TYR CA C 122 58.449 58.449 56.655 1.794 25125 2054 1 3 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.629 0.975 25125 2055 1 3 . 1 1 122 122 TYR H H 122 7.766 7.766 7.318 0.448 25125 2056 1 3 . 1 1 123 123 GLN N N 123 121.479 121.479 117.662 3.817 25125 2057 1 3 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.315 -0.045 25125 2058 1 3 . 1 1 123 123 GLN C C 123 174.534 174.534 175.536 -1.002 25125 2059 1 3 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.847 -0.335 25125 2060 1 3 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.181 -1.413 25125 2061 1 3 . 1 1 123 123 GLN H H 123 7.878 7.878 7.923 -0.045 25125 2062 1 4 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.620 -0.187 25125 2063 1 4 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.481 0.083 25125 2064 1 4 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.181 2.419 25125 2065 1 4 . 1 1 3 3 ARG N N 3 121.252 121.252 120.141 1.111 25125 2066 1 4 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.158 0.207 25125 2067 1 4 . 1 1 3 3 ARG C C 3 175.634 175.634 176.078 -0.444 25125 2068 1 4 . 1 1 3 3 ARG CA C 3 55.991 55.991 57.092 -1.101 25125 2069 1 4 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.301 0.996 25125 2070 1 4 . 1 1 3 3 ARG H H 3 8.429 8.429 7.632 0.797 25125 2071 1 4 . 1 1 4 4 GLY N N 4 107.663 107.663 108.359 -0.696 25125 2072 1 4 . 1 1 4 4 GLY C C 4 171.041 171.041 173.123 -2.082 25125 2073 1 4 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.239 1.077 25125 2074 1 4 . 1 1 4 4 GLY H H 4 7.963 7.963 7.819 0.144 25125 2075 1 4 . 1 1 5 5 ILE N N 5 122.603 122.603 124.898 -2.295 25125 2076 1 4 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.025 0.674 25125 2077 1 4 . 1 1 5 5 ILE C C 5 175.359 175.359 175.100 0.259 25125 2078 1 4 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.552 -0.942 25125 2079 1 4 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.385 0.191 25125 2080 1 4 . 1 1 5 5 ILE H H 5 9.610 9.610 8.348 1.262 25125 2081 1 4 . 1 1 6 6 VAL N N 6 127.905 127.905 124.892 3.013 25125 2082 1 4 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.935 -0.123 25125 2083 1 4 . 1 1 6 6 VAL C C 6 174.204 174.204 175.398 -1.194 25125 2084 1 4 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.799 -1.240 25125 2085 1 4 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.765 0.761 25125 2086 1 4 . 1 1 6 6 VAL H H 6 9.090 9.090 7.893 1.197 25125 2087 1 4 . 1 1 7 7 TRP N N 7 127.467 127.467 128.380 -0.913 25125 2088 1 4 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.268 1.186 25125 2089 1 4 . 1 1 7 7 TRP C C 7 175.056 175.056 175.446 -0.390 25125 2090 1 4 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.458 -1.579 25125 2091 1 4 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.776 1.358 25125 2092 1 4 . 1 1 7 7 TRP H H 7 8.497 8.497 8.656 -0.159 25125 2093 1 4 . 1 1 8 8 VAL N N 8 122.068 122.068 118.046 4.022 25125 2094 1 4 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.484 0.602 25125 2095 1 4 . 1 1 8 8 VAL C C 8 173.874 173.874 173.864 0.010 25125 2096 1 4 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.586 -1.099 25125 2097 1 4 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.749 -0.034 25125 2098 1 4 . 1 1 8 8 VAL H H 8 8.583 8.583 9.381 -0.798 25125 2099 1 4 . 1 1 9 9 VAL N N 9 127.733 127.733 124.128 3.605 25125 2100 1 4 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.624 0.337 25125 2101 1 4 . 1 1 9 9 VAL C C 9 173.131 173.131 173.507 -0.376 25125 2102 1 4 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.766 -1.091 25125 2103 1 4 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.370 -2.459 25125 2104 1 4 . 1 1 9 9 VAL H H 9 9.107 9.107 8.477 0.630 25125 2105 1 4 . 1 1 10 10 ASP N N 10 124.306 124.306 127.059 -2.753 25125 2106 1 4 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.059 -0.490 25125 2107 1 4 . 1 1 10 10 ASP C C 10 175.029 175.029 174.834 0.195 25125 2108 1 4 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.250 1.497 25125 2109 1 4 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.953 0.156 25125 2110 1 4 . 1 1 10 10 ASP H H 10 7.775 7.775 8.036 -0.261 25125 2111 1 4 . 1 1 11 11 ASP N N 11 126.714 126.714 117.341 9.373 25125 2112 1 4 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.894 -0.359 25125 2113 1 4 . 1 1 11 11 ASP C C 11 175.689 175.689 175.208 0.481 25125 2114 1 4 . 1 1 11 11 ASP CA C 11 55.718 55.718 52.992 2.726 25125 2115 1 4 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.281 -0.207 25125 2116 1 4 . 1 1 11 11 ASP H H 11 9.033 9.033 8.558 0.475 25125 2117 1 4 . 1 1 12 12 ASP N N 12 121.877 121.877 119.121 2.756 25125 2118 1 4 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.927 -0.281 25125 2119 1 4 . 1 1 12 12 ASP C C 12 177.036 177.036 176.586 0.450 25125 2120 1 4 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.993 0.310 25125 2121 1 4 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.769 -2.605 25125 2122 1 4 . 1 1 12 12 ASP H H 12 9.570 9.570 8.463 1.107 25125 2123 1 4 . 1 1 13 13 SER N N 13 123.799 123.799 117.667 6.132 25125 2124 1 4 . 1 1 13 13 SER HA H 13 3.761 3.761 4.294 -0.533 25125 2125 1 4 . 1 1 13 13 SER C C 13 176.156 176.156 176.077 0.079 25125 2126 1 4 . 1 1 13 13 SER CA C 13 61.186 61.186 61.618 -0.432 25125 2127 1 4 . 1 1 13 13 SER CB C 13 62.749 62.749 63.545 -0.796 25125 2128 1 4 . 1 1 13 13 SER H H 13 8.850 8.850 8.819 0.031 25125 2129 1 4 . 1 1 14 14 SER N N 14 119.123 119.123 116.959 2.164 25125 2130 1 4 . 1 1 14 14 SER HA H 14 4.361 4.361 4.439 -0.078 25125 2131 1 4 . 1 1 14 14 SER C C 14 176.404 176.404 176.727 -0.323 25125 2132 1 4 . 1 1 14 14 SER CA C 14 61.730 61.730 61.047 0.683 25125 2133 1 4 . 1 1 14 14 SER CB C 14 62.548 62.548 62.876 -0.328 25125 2134 1 4 . 1 1 14 14 SER H H 14 8.531 8.531 8.542 -0.011 25125 2135 1 4 . 1 1 15 15 ILE N N 15 123.637 123.637 122.153 1.484 25125 2136 1 4 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.869 0.076 25125 2137 1 4 . 1 1 15 15 ILE C C 15 177.861 177.861 177.825 0.036 25125 2138 1 4 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.837 -2.637 25125 2139 1 4 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.985 -1.099 25125 2140 1 4 . 1 1 15 15 ILE H H 15 7.206 7.206 8.205 -0.999 25125 2141 1 4 . 1 1 16 16 ARG N N 16 116.694 116.694 118.420 -1.726 25125 2142 1 4 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.301 -0.578 25125 2143 1 4 . 1 1 16 16 ARG C C 16 177.448 177.448 178.108 -0.660 25125 2144 1 4 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.680 2.893 25125 2145 1 4 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.188 0.259 25125 2146 1 4 . 1 1 16 16 ARG H H 16 7.562 7.562 7.531 0.031 25125 2147 1 4 . 1 1 17 17 TRP N N 17 116.848 116.848 122.826 -5.978 25125 2148 1 4 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.406 0.065 25125 2149 1 4 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.693 -0.253 25125 2150 1 4 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.607 -0.315 25125 2151 1 4 . 1 1 17 17 TRP H H 17 8.005 8.005 7.738 0.267 25125 2152 1 4 . 1 1 18 18 VAL N N 18 116.964 116.964 119.499 -2.535 25125 2153 1 4 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.664 1.011 25125 2154 1 4 . 1 1 18 18 VAL C C 18 179.181 179.181 177.718 1.463 25125 2155 1 4 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.883 -0.175 25125 2156 1 4 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.441 0.196 25125 2157 1 4 . 1 1 18 18 VAL H H 18 8.110 8.110 8.673 -0.563 25125 2158 1 4 . 1 1 19 19 LEU N N 19 120.186 120.186 118.168 2.018 25125 2159 1 4 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.215 -0.140 25125 2160 1 4 . 1 1 19 19 LEU C C 19 177.778 177.778 178.984 -1.206 25125 2161 1 4 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.304 0.518 25125 2162 1 4 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.644 0.137 25125 2163 1 4 . 1 1 19 19 LEU H H 19 8.073 8.073 7.587 0.486 25125 2164 1 4 . 1 1 20 20 GLU N N 20 120.193 120.193 119.904 0.289 25125 2165 1 4 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.195 -0.254 25125 2166 1 4 . 1 1 20 20 GLU C C 20 178.603 178.603 178.771 -0.168 25125 2167 1 4 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.968 1.642 25125 2168 1 4 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.905 -0.817 25125 2169 1 4 . 1 1 20 20 GLU H H 20 8.387 8.387 8.120 0.267 25125 2170 1 4 . 1 1 21 21 ARG N N 21 116.076 116.076 118.899 -2.823 25125 2171 1 4 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.951 -0.058 25125 2172 1 4 . 1 1 21 21 ARG C C 21 179.676 179.676 178.412 1.264 25125 2173 1 4 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.572 -0.123 25125 2174 1 4 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.230 0.623 25125 2175 1 4 . 1 1 21 21 ARG H H 21 7.602 7.602 7.804 -0.202 25125 2176 1 4 . 1 1 22 22 ALA N N 22 122.405 122.405 122.861 -0.456 25125 2177 1 4 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.066 0.031 25125 2178 1 4 . 1 1 22 22 ALA C C 22 180.501 180.501 179.092 1.409 25125 2179 1 4 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.611 -0.033 25125 2180 1 4 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.093 1.139 25125 2181 1 4 . 1 1 22 22 ALA H H 22 7.992 7.992 7.792 0.200 25125 2182 1 4 . 1 1 23 23 LEU N N 23 118.026 118.026 118.032 -0.006 25125 2183 1 4 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.354 -0.353 25125 2184 1 4 . 1 1 23 23 LEU C C 23 178.878 178.878 179.385 -0.507 25125 2185 1 4 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.127 1.594 25125 2186 1 4 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.014 -2.359 25125 2187 1 4 . 1 1 23 23 LEU H H 23 8.825 8.825 7.687 1.138 25125 2188 1 4 . 1 1 24 24 ALA N N 24 122.159 122.159 123.128 -0.969 25125 2189 1 4 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.074 0.559 25125 2190 1 4 . 1 1 24 24 ALA C C 24 183.141 183.141 178.888 4.253 25125 2191 1 4 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.606 0.141 25125 2192 1 4 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.387 -0.685 25125 2193 1 4 . 1 1 24 24 ALA H H 24 8.125 8.125 7.891 0.234 25125 2194 1 4 . 1 1 25 25 GLY N N 25 106.891 106.891 104.354 2.537 25125 2195 1 4 . 1 1 25 25 GLY C C 25 174.286 174.286 174.312 -0.026 25125 2196 1 4 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.091 1.330 25125 2197 1 4 . 1 1 25 25 GLY H H 25 7.870 7.870 7.822 0.048 25125 2198 1 4 . 1 1 26 26 ALA N N 26 121.819 121.819 123.685 -1.866 25125 2199 1 4 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.686 -0.187 25125 2200 1 4 . 1 1 26 26 ALA C C 26 176.953 176.953 177.479 -0.526 25125 2201 1 4 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.506 -0.987 25125 2202 1 4 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.253 -1.531 25125 2203 1 4 . 1 1 26 26 ALA H H 26 7.285 7.285 7.829 -0.544 25125 2204 1 4 . 1 1 27 27 GLY N N 27 106.197 106.197 106.071 0.126 25125 2205 1 4 . 1 1 27 27 GLY C C 27 173.956 173.956 172.477 1.479 25125 2206 1 4 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.553 -0.237 25125 2207 1 4 . 1 1 27 27 GLY H H 27 7.824 7.824 7.838 -0.014 25125 2208 1 4 . 1 1 28 28 LEU N N 28 120.291 120.291 119.133 1.158 25125 2209 1 4 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.769 -0.194 25125 2210 1 4 . 1 1 28 28 LEU C C 28 175.881 175.881 176.461 -0.580 25125 2211 1 4 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.438 0.205 25125 2212 1 4 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.716 -2.231 25125 2213 1 4 . 1 1 28 28 LEU H H 28 7.678 7.678 7.329 0.349 25125 2214 1 4 . 1 1 29 29 THR N N 29 118.040 118.040 116.613 1.427 25125 2215 1 4 . 1 1 29 29 THR HA H 29 4.335 4.335 4.154 0.181 25125 2216 1 4 . 1 1 29 29 THR C C 29 173.186 173.186 174.149 -0.963 25125 2217 1 4 . 1 1 29 29 THR CA C 29 62.479 62.479 64.184 -1.705 25125 2218 1 4 . 1 1 29 29 THR CB C 29 69.465 69.465 69.516 -0.052 25125 2219 1 4 . 1 1 29 29 THR H H 29 8.527 8.527 8.500 0.027 25125 2220 1 4 . 1 1 30 30 CYS N N 30 128.387 128.387 123.201 5.186 25125 2221 1 4 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.319 0.624 25125 2222 1 4 . 1 1 30 30 CYS C C 30 173.846 173.846 174.003 -0.157 25125 2223 1 4 . 1 1 30 30 CYS CA C 30 56.362 56.362 58.202 -1.839 25125 2224 1 4 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.645 -0.165 25125 2225 1 4 . 1 1 30 30 CYS H H 30 8.968 8.968 8.623 0.345 25125 2226 1 4 . 1 1 31 31 THR N N 31 126.481 126.481 123.814 2.667 25125 2227 1 4 . 1 1 31 31 THR HA H 31 4.433 4.433 4.278 0.155 25125 2228 1 4 . 1 1 31 31 THR C C 31 172.609 172.609 173.329 -0.720 25125 2229 1 4 . 1 1 31 31 THR CA C 31 61.951 61.951 62.260 -0.309 25125 2230 1 4 . 1 1 31 31 THR CB C 31 70.567 70.567 69.167 1.400 25125 2231 1 4 . 1 1 31 31 THR H H 31 8.614 8.614 8.467 0.147 25125 2232 1 4 . 1 1 32 32 THR N N 32 116.418 116.418 118.161 -1.743 25125 2233 1 4 . 1 1 32 32 THR HA H 32 5.330 5.330 5.397 -0.067 25125 2234 1 4 . 1 1 32 32 THR C C 32 172.306 172.306 173.494 -1.188 25125 2235 1 4 . 1 1 32 32 THR CA C 32 59.173 59.173 60.139 -0.966 25125 2236 1 4 . 1 1 32 32 THR CB C 32 70.917 70.917 70.150 0.767 25125 2237 1 4 . 1 1 32 32 THR H H 32 8.299 8.299 8.135 0.164 25125 2238 1 4 . 1 1 33 33 PHE N N 33 118.067 118.067 124.807 -6.740 25125 2239 1 4 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.776 -0.133 25125 2240 1 4 . 1 1 33 33 PHE C C 33 174.341 174.341 175.175 -0.834 25125 2241 1 4 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.482 0.050 25125 2242 1 4 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.644 0.665 25125 2243 1 4 . 1 1 33 33 PHE H H 33 8.890 8.890 9.021 -0.131 25125 2244 1 4 . 1 1 34 34 GLU N N 34 118.499 118.499 118.045 0.454 25125 2245 1 4 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.854 -0.500 25125 2246 1 4 . 1 1 34 34 GLU C C 34 175.414 175.414 175.067 0.347 25125 2247 1 4 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.419 0.273 25125 2248 1 4 . 1 1 34 34 GLU CB C 34 31.467 31.467 28.926 2.541 25125 2249 1 4 . 1 1 34 34 GLU H H 34 9.023 9.023 8.821 0.202 25125 2250 1 4 . 1 1 35 35 ASN N N 35 109.907 109.907 118.217 -8.310 25125 2251 1 4 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.676 0.105 25125 2252 1 4 . 1 1 35 35 ASN C C 35 175.139 175.139 175.834 -0.695 25125 2253 1 4 . 1 1 35 35 ASN CA C 35 52.146 52.146 54.181 -2.035 25125 2254 1 4 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.867 1.456 25125 2255 1 4 . 1 1 35 35 ASN H H 35 7.401 7.401 8.238 -0.837 25125 2256 1 4 . 1 1 36 36 GLY N N 36 106.739 106.739 108.828 -2.089 25125 2257 1 4 . 1 1 36 36 GLY C C 36 174.616 174.616 175.574 -0.958 25125 2258 1 4 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.955 1.061 25125 2259 1 4 . 1 1 36 36 GLY H H 36 8.877 8.877 8.442 0.435 25125 2260 1 4 . 1 1 37 37 ASN N N 37 120.462 120.462 120.363 0.099 25125 2261 1 4 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.561 -0.199 25125 2262 1 4 . 1 1 37 37 ASN C C 37 178.686 178.686 176.109 2.577 25125 2263 1 4 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.026 1.506 25125 2264 1 4 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.493 -0.909 25125 2265 1 4 . 1 1 37 37 ASN H H 37 8.366 8.366 8.090 0.276 25125 2266 1 4 . 1 1 38 38 GLU N N 38 119.360 119.360 117.893 1.467 25125 2267 1 4 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.137 -0.067 25125 2268 1 4 . 1 1 38 38 GLU C C 38 179.263 179.263 177.559 1.704 25125 2269 1 4 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.455 0.177 25125 2270 1 4 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.272 1.260 25125 2271 1 4 . 1 1 38 38 GLU H H 38 7.990 7.990 8.755 -0.765 25125 2272 1 4 . 1 1 39 39 VAL N N 39 119.259 119.259 118.374 0.885 25125 2273 1 4 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.058 -0.290 25125 2274 1 4 . 1 1 39 39 VAL C C 39 176.431 176.431 177.012 -0.581 25125 2275 1 4 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.969 -0.026 25125 2276 1 4 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.707 -0.632 25125 2277 1 4 . 1 1 39 39 VAL H H 39 6.883 6.883 7.155 -0.272 25125 2278 1 4 . 1 1 40 40 LEU N N 40 119.627 119.627 121.950 -2.323 25125 2279 1 4 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.968 -0.041 25125 2280 1 4 . 1 1 40 40 LEU C C 40 179.538 179.538 178.059 1.479 25125 2281 1 4 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.032 -0.092 25125 2282 1 4 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.374 -0.306 25125 2283 1 4 . 1 1 40 40 LEU H H 40 7.692 7.692 7.295 0.397 25125 2284 1 4 . 1 1 41 41 ALA N N 41 120.051 120.051 119.685 0.366 25125 2285 1 4 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.153 -0.013 25125 2286 1 4 . 1 1 41 41 ALA C C 41 180.528 180.528 179.647 0.881 25125 2287 1 4 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.432 0.218 25125 2288 1 4 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.980 -0.114 25125 2289 1 4 . 1 1 41 41 ALA H H 41 7.553 7.553 7.669 -0.116 25125 2290 1 4 . 1 1 42 42 ALA N N 42 122.731 122.731 122.617 0.114 25125 2291 1 4 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.155 0.044 25125 2292 1 4 . 1 1 42 42 ALA C C 42 180.198 180.198 180.155 0.043 25125 2293 1 4 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.600 0.432 25125 2294 1 4 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.983 1.416 25125 2295 1 4 . 1 1 42 42 ALA H H 42 7.604 7.604 7.288 0.316 25125 2296 1 4 . 1 1 43 43 LEU N N 43 119.131 119.131 118.544 0.587 25125 2297 1 4 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.007 1.199 25125 2298 1 4 . 1 1 43 43 LEU C C 43 177.421 177.421 178.929 -1.508 25125 2299 1 4 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.530 -1.985 25125 2300 1 4 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.048 1.556 25125 2301 1 4 . 1 1 43 43 LEU H H 43 8.288 8.288 8.029 0.259 25125 2302 1 4 . 1 1 44 44 ALA N N 44 119.065 119.065 118.477 0.588 25125 2303 1 4 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.185 0.044 25125 2304 1 4 . 1 1 44 44 ALA C C 44 178.686 178.686 178.627 0.059 25125 2305 1 4 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.867 0.371 25125 2306 1 4 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.405 0.111 25125 2307 1 4 . 1 1 44 44 ALA H H 44 7.302 7.302 7.712 -0.410 25125 2308 1 4 . 1 1 45 45 SER N N 45 108.656 108.656 114.963 -6.307 25125 2309 1 4 . 1 1 45 45 SER HA H 45 4.742 4.742 4.383 0.359 25125 2310 1 4 . 1 1 45 45 SER C C 45 173.296 173.296 176.239 -2.943 25125 2311 1 4 . 1 1 45 45 SER CA C 45 58.656 58.656 60.728 -2.072 25125 2312 1 4 . 1 1 45 45 SER CB C 45 65.407 65.407 64.053 1.354 25125 2313 1 4 . 1 1 45 45 SER H H 45 7.728 7.728 8.102 -0.374 25125 2314 1 4 . 1 1 46 46 LYS N N 46 123.016 123.016 116.868 6.148 25125 2315 1 4 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.589 -0.003 25125 2316 1 4 . 1 1 46 46 LYS C C 46 172.719 172.719 175.668 -2.949 25125 2317 1 4 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.253 -0.741 25125 2318 1 4 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.689 1.536 25125 2319 1 4 . 1 1 46 46 LYS H H 46 8.101 8.101 7.833 0.268 25125 2320 1 4 . 1 1 47 47 THR N N 47 111.780 111.780 114.511 -2.731 25125 2321 1 4 . 1 1 47 47 THR HA H 47 4.282 4.282 3.996 0.286 25125 2322 1 4 . 1 1 47 47 THR CA C 47 57.806 57.806 61.762 -3.956 25125 2323 1 4 . 1 1 47 47 THR CB C 47 70.594 70.594 67.793 2.801 25125 2324 1 4 . 1 1 47 47 THR H H 47 7.677 7.677 7.781 -0.104 25125 2325 1 4 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.886 0.019 25125 2326 1 4 . 1 1 48 48 PRO C C 48 172.966 172.966 175.147 -2.181 25125 2327 1 4 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.210 -1.345 25125 2328 1 4 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.565 -1.288 25125 2329 1 4 . 1 1 49 49 ASP N N 49 115.035 115.035 118.016 -2.981 25125 2330 1 4 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.767 -0.323 25125 2331 1 4 . 1 1 49 49 ASP C C 49 175.634 175.634 175.320 0.314 25125 2332 1 4 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.194 2.253 25125 2333 1 4 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.406 -0.894 25125 2334 1 4 . 1 1 49 49 ASP H H 49 8.502 8.502 7.843 0.659 25125 2335 1 4 . 1 1 50 50 VAL N N 50 112.082 112.082 116.184 -4.102 25125 2336 1 4 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.490 -0.210 25125 2337 1 4 . 1 1 50 50 VAL C C 50 171.454 171.454 172.721 -1.267 25125 2338 1 4 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.918 -1.356 25125 2339 1 4 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.630 0.006 25125 2340 1 4 . 1 1 50 50 VAL H H 50 7.173 7.173 7.071 0.102 25125 2341 1 4 . 1 1 51 51 LEU N N 51 128.247 128.247 126.747 1.500 25125 2342 1 4 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.515 -0.196 25125 2343 1 4 . 1 1 51 51 LEU C C 51 173.104 173.104 174.956 -1.852 25125 2344 1 4 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.129 0.089 25125 2345 1 4 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.588 -0.082 25125 2346 1 4 . 1 1 51 51 LEU H H 51 8.059 8.059 7.953 0.106 25125 2347 1 4 . 1 1 52 52 LEU N N 52 128.407 128.407 122.676 5.731 25125 2348 1 4 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.926 0.575 25125 2349 1 4 . 1 1 52 52 LEU C C 52 175.414 175.414 176.349 -0.935 25125 2350 1 4 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.979 0.344 25125 2351 1 4 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.261 2.260 25125 2352 1 4 . 1 1 52 52 LEU H H 52 9.242 9.242 8.853 0.389 25125 2353 1 4 . 1 1 53 53 SER N N 53 114.946 114.946 117.460 -2.514 25125 2354 1 4 . 1 1 53 53 SER HA H 53 5.595 5.595 4.409 1.186 25125 2355 1 4 . 1 1 53 53 SER C C 53 174.644 174.644 173.695 0.949 25125 2356 1 4 . 1 1 53 53 SER CA C 53 55.954 55.954 59.636 -3.682 25125 2357 1 4 . 1 1 53 53 SER CB C 53 66.473 66.473 64.419 2.054 25125 2358 1 4 . 1 1 53 53 SER H H 53 8.695 8.695 7.998 0.697 25125 2359 1 4 . 1 1 54 54 ASP N N 54 128.341 128.341 122.947 5.394 25125 2360 1 4 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.132 0.193 25125 2361 1 4 . 1 1 54 54 ASP C C 54 176.816 176.816 175.778 1.038 25125 2362 1 4 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.830 1.663 25125 2363 1 4 . 1 1 54 54 ASP CB C 54 42.328 42.328 44.256 -1.928 25125 2364 1 4 . 1 1 54 54 ASP H H 54 7.886 7.886 8.536 -0.650 25125 2365 1 4 . 1 1 55 55 ILE N N 55 121.229 121.229 122.482 -1.253 25125 2366 1 4 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.250 -0.065 25125 2367 1 4 . 1 1 55 55 ILE C C 55 175.084 175.084 174.249 0.835 25125 2368 1 4 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.604 0.938 25125 2369 1 4 . 1 1 55 55 ILE CB C 55 39.029 39.029 38.044 0.985 25125 2370 1 4 . 1 1 55 55 ILE H H 55 8.722 8.722 8.839 -0.117 25125 2371 1 4 . 1 1 56 56 ARG N N 56 124.188 124.188 122.295 1.893 25125 2372 1 4 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.484 0.021 25125 2373 1 4 . 1 1 56 56 ARG C C 56 175.661 175.661 174.747 0.914 25125 2374 1 4 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.143 -0.702 25125 2375 1 4 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.362 0.000 25125 2376 1 4 . 1 1 56 56 ARG H H 56 8.499 8.499 8.519 -0.020 25125 2377 1 4 . 1 1 57 57 MET N N 57 122.581 122.581 118.374 4.207 25125 2378 1 4 . 1 1 57 57 MET HA H 57 4.821 4.821 4.968 -0.147 25125 2379 1 4 . 1 1 57 57 MET CA C 57 53.132 53.132 52.123 1.010 25125 2380 1 4 . 1 1 57 57 MET CB C 57 33.445 33.445 32.731 0.714 25125 2381 1 4 . 1 1 57 57 MET H H 57 7.956 7.956 7.827 0.129 25125 2382 1 4 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.525 -0.132 25125 2383 1 4 . 1 1 58 58 PRO C C 58 177.806 177.806 178.401 -0.595 25125 2384 1 4 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.052 0.447 25125 2385 1 4 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.603 -0.796 25125 2386 1 4 . 1 1 59 59 GLY N N 59 111.082 111.082 107.904 3.178 25125 2387 1 4 . 1 1 59 59 GLY C C 59 173.626 173.626 174.537 -0.911 25125 2388 1 4 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.648 -0.058 25125 2389 1 4 . 1 1 59 59 GLY H H 59 8.653 8.653 8.454 0.199 25125 2390 1 4 . 1 1 60 60 MET N N 60 120.052 120.052 123.351 -3.299 25125 2391 1 4 . 1 1 60 60 MET HA H 60 4.525 4.525 4.468 0.057 25125 2392 1 4 . 1 1 60 60 MET C C 60 173.956 173.956 175.533 -1.577 25125 2393 1 4 . 1 1 60 60 MET CA C 60 55.047 55.047 55.675 -0.628 25125 2394 1 4 . 1 1 60 60 MET CB C 60 34.506 34.506 33.584 0.922 25125 2395 1 4 . 1 1 60 60 MET H H 60 7.968 7.968 8.067 -0.099 25125 2396 1 4 . 1 1 61 61 ASP N N 61 121.306 121.306 120.711 0.595 25125 2397 1 4 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.703 0.001 25125 2398 1 4 . 1 1 61 61 ASP C C 61 176.761 176.761 177.405 -0.644 25125 2399 1 4 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.162 -0.433 25125 2400 1 4 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.129 -0.060 25125 2401 1 4 . 1 1 61 61 ASP H H 61 8.379 8.379 8.453 -0.074 25125 2402 1 4 . 1 1 62 62 GLY N N 62 110.874 110.874 108.837 2.037 25125 2403 1 4 . 1 1 62 62 GLY C C 62 175.194 175.194 175.911 -0.717 25125 2404 1 4 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.818 0.283 25125 2405 1 4 . 1 1 62 62 GLY H H 62 8.707 8.707 8.373 0.334 25125 2406 1 4 . 1 1 63 63 LEU N N 63 121.299 121.299 120.897 0.402 25125 2407 1 4 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.581 -0.404 25125 2408 1 4 . 1 1 63 63 LEU C C 63 178.356 178.356 178.268 0.088 25125 2409 1 4 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.750 1.128 25125 2410 1 4 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.556 0.682 25125 2411 1 4 . 1 1 63 63 LEU H H 63 8.045 8.045 8.011 0.034 25125 2412 1 4 . 1 1 64 64 ALA N N 64 122.741 122.741 123.477 -0.736 25125 2413 1 4 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.071 -0.009 25125 2414 1 4 . 1 1 64 64 ALA C C 64 180.556 180.556 179.099 1.457 25125 2415 1 4 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.015 -0.400 25125 2416 1 4 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.112 -0.112 25125 2417 1 4 . 1 1 64 64 ALA H H 64 7.859 7.859 8.239 -0.380 25125 2418 1 4 . 1 1 65 65 LEU N N 65 120.287 120.287 114.603 5.684 25125 2419 1 4 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.326 -0.264 25125 2420 1 4 . 1 1 65 65 LEU C C 65 178.191 178.191 179.000 -0.809 25125 2421 1 4 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.555 1.464 25125 2422 1 4 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.847 -0.609 25125 2423 1 4 . 1 1 65 65 LEU H H 65 8.022 8.022 7.684 0.338 25125 2424 1 4 . 1 1 66 66 LEU N N 66 118.738 118.738 121.476 -2.738 25125 2425 1 4 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.003 -0.145 25125 2426 1 4 . 1 1 66 66 LEU C C 66 178.631 178.631 178.572 0.059 25125 2427 1 4 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.595 0.751 25125 2428 1 4 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.796 -0.558 25125 2429 1 4 . 1 1 66 66 LEU H H 66 8.101 8.101 7.711 0.390 25125 2430 1 4 . 1 1 67 67 LYS N N 67 117.842 117.842 118.439 -0.597 25125 2431 1 4 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.083 -0.101 25125 2432 1 4 . 1 1 67 67 LYS C C 67 179.263 179.263 178.093 1.170 25125 2433 1 4 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.656 1.141 25125 2434 1 4 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.089 0.118 25125 2435 1 4 . 1 1 67 67 LYS H H 67 8.010 8.010 7.963 0.047 25125 2436 1 4 . 1 1 68 68 GLN N N 68 118.875 118.875 117.167 1.708 25125 2437 1 4 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.250 -0.194 25125 2438 1 4 . 1 1 68 68 GLN C C 68 179.071 179.071 177.505 1.566 25125 2439 1 4 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.221 0.852 25125 2440 1 4 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.008 -0.397 25125 2441 1 4 . 1 1 68 68 GLN H H 68 7.809 7.809 8.192 -0.383 25125 2442 1 4 . 1 1 69 69 ILE N N 69 120.377 120.377 121.356 -0.979 25125 2443 1 4 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.898 -0.368 25125 2444 1 4 . 1 1 69 69 ILE C C 69 177.421 177.421 178.086 -0.665 25125 2445 1 4 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.916 0.962 25125 2446 1 4 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.644 -0.060 25125 2447 1 4 . 1 1 69 69 ILE H H 69 8.481 8.481 7.480 1.001 25125 2448 1 4 . 1 1 70 70 LYS N N 70 117.873 117.873 116.671 1.202 25125 2449 1 4 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.253 -0.293 25125 2450 1 4 . 1 1 70 70 LYS C C 70 178.053 178.053 178.046 0.007 25125 2451 1 4 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.361 -0.273 25125 2452 1 4 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.866 -0.654 25125 2453 1 4 . 1 1 70 70 LYS H H 70 8.220 8.220 7.994 0.226 25125 2454 1 4 . 1 1 71 71 GLN N N 71 116.315 116.315 117.907 -1.592 25125 2455 1 4 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.256 -0.264 25125 2456 1 4 . 1 1 71 71 GLN C C 71 177.366 177.366 177.678 -0.312 25125 2457 1 4 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.465 0.725 25125 2458 1 4 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.048 -0.383 25125 2459 1 4 . 1 1 71 71 GLN H H 71 7.601 7.601 7.658 -0.057 25125 2460 1 4 . 1 1 72 72 ARG N N 72 116.530 116.530 117.538 -1.008 25125 2461 1 4 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.254 -0.224 25125 2462 1 4 . 1 1 72 72 ARG C C 72 175.826 175.826 176.636 -0.810 25125 2463 1 4 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.209 0.014 25125 2464 1 4 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.223 -0.421 25125 2465 1 4 . 1 1 72 72 ARG H H 72 7.301 7.301 8.149 -0.848 25125 2466 1 4 . 1 1 73 73 HIS N N 73 116.755 116.755 117.150 -0.395 25125 2467 1 4 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.017 -0.057 25125 2468 1 4 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.570 -0.352 25125 2469 1 4 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.168 0.394 25125 2470 1 4 . 1 1 73 73 HIS H H 73 8.331 8.331 7.955 0.376 25125 2471 1 4 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.359 0.140 25125 2472 1 4 . 1 1 74 74 PRO C C 74 178.466 178.466 177.886 0.580 25125 2473 1 4 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.237 -0.124 25125 2474 1 4 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.164 -0.069 25125 2475 1 4 . 1 1 75 75 MET N N 75 114.814 114.814 113.717 1.097 25125 2476 1 4 . 1 1 75 75 MET HA H 75 4.567 4.567 4.469 0.098 25125 2477 1 4 . 1 1 75 75 MET C C 75 176.046 176.046 175.738 0.308 25125 2478 1 4 . 1 1 75 75 MET CA C 75 54.266 54.266 55.698 -1.432 25125 2479 1 4 . 1 1 75 75 MET CB C 75 31.288 31.288 31.937 -0.649 25125 2480 1 4 . 1 1 75 75 MET H H 75 8.623 8.623 7.780 0.843 25125 2481 1 4 . 1 1 76 76 LEU N N 76 125.533 125.533 123.610 1.923 25125 2482 1 4 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.741 -0.436 25125 2483 1 4 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.256 1.856 25125 2484 1 4 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.475 -0.790 25125 2485 1 4 . 1 1 76 76 LEU H H 76 7.337 7.337 7.134 0.203 25125 2486 1 4 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.551 -0.105 25125 2487 1 4 . 1 1 77 77 PRO C C 77 174.974 174.974 175.556 -0.582 25125 2488 1 4 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.702 0.125 25125 2489 1 4 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.986 -0.264 25125 2490 1 4 . 1 1 78 78 VAL N N 78 123.779 123.779 123.091 0.688 25125 2491 1 4 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.721 0.303 25125 2492 1 4 . 1 1 78 78 VAL C C 78 175.441 175.441 175.320 0.121 25125 2493 1 4 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.604 -0.411 25125 2494 1 4 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.476 -1.182 25125 2495 1 4 . 1 1 78 78 VAL H H 78 8.317 8.317 8.138 0.179 25125 2496 1 4 . 1 1 79 79 ILE N N 79 128.334 128.334 121.725 6.609 25125 2497 1 4 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.804 -0.323 25125 2498 1 4 . 1 1 79 79 ILE C C 79 174.479 174.479 175.084 -0.605 25125 2499 1 4 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.897 -0.375 25125 2500 1 4 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.666 -1.703 25125 2501 1 4 . 1 1 79 79 ILE H H 79 9.292 9.292 8.815 0.477 25125 2502 1 4 . 1 1 80 80 ILE N N 80 127.023 127.023 125.207 1.816 25125 2503 1 4 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.361 0.498 25125 2504 1 4 . 1 1 80 80 ILE C C 80 175.029 175.029 175.113 -0.084 25125 2505 1 4 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.683 -1.526 25125 2506 1 4 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.481 -1.537 25125 2507 1 4 . 1 1 80 80 ILE H H 80 7.938 7.938 8.856 -0.918 25125 2508 1 4 . 1 1 81 81 MET N N 81 127.255 127.255 124.427 2.828 25125 2509 1 4 . 1 1 81 81 MET HA H 81 5.521 5.521 5.599 -0.078 25125 2510 1 4 . 1 1 81 81 MET C C 81 174.534 174.534 175.673 -1.139 25125 2511 1 4 . 1 1 81 81 MET CA C 81 53.513 53.513 54.788 -1.275 25125 2512 1 4 . 1 1 81 81 MET CB C 81 35.483 35.483 35.559 -0.076 25125 2513 1 4 . 1 1 81 81 MET H H 81 8.801 8.801 8.251 0.550 25125 2514 1 4 . 1 1 82 82 THR N N 82 112.857 112.857 117.012 -4.155 25125 2515 1 4 . 1 1 82 82 THR HA H 82 4.914 4.914 4.389 0.525 25125 2516 1 4 . 1 1 82 82 THR C C 82 172.581 172.581 173.231 -0.650 25125 2517 1 4 . 1 1 82 82 THR CA C 82 59.561 59.561 62.453 -2.892 25125 2518 1 4 . 1 1 82 82 THR CB C 82 69.989 69.989 69.638 0.351 25125 2519 1 4 . 1 1 82 82 THR H H 82 7.623 7.623 8.550 -0.927 25125 2520 1 4 . 1 1 83 83 ALA N N 83 129.541 129.541 123.668 5.873 25125 2521 1 4 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.911 0.797 25125 2522 1 4 . 1 1 83 83 ALA CA C 83 52.538 52.538 52.776 -0.238 25125 2523 1 4 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.998 1.149 25125 2524 1 4 . 1 1 83 83 ALA H H 83 9.149 9.149 7.808 1.341 25125 2525 1 4 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.203 0.069 25125 2526 1 4 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.522 3.178 25125 2527 1 4 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.293 1.725 25125 2528 1 4 . 1 1 85 85 SER N N 85 112.633 112.633 117.692 -5.059 25125 2529 1 4 . 1 1 85 85 SER HA H 85 4.198 4.198 4.048 0.150 25125 2530 1 4 . 1 1 85 85 SER C C 85 174.506 174.506 173.719 0.787 25125 2531 1 4 . 1 1 85 85 SER CA C 85 59.823 59.823 60.499 -0.676 25125 2532 1 4 . 1 1 85 85 SER CB C 85 62.693 62.693 62.843 -0.150 25125 2533 1 4 . 1 1 85 85 SER H H 85 8.224 8.224 8.665 -0.441 25125 2534 1 4 . 1 1 86 86 ASP N N 86 120.886 120.886 124.503 -3.617 25125 2535 1 4 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.397 0.539 25125 2536 1 4 . 1 1 86 86 ASP C C 86 175.881 175.881 176.966 -1.085 25125 2537 1 4 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.479 -1.545 25125 2538 1 4 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.756 1.247 25125 2539 1 4 . 1 1 86 86 ASP H H 86 7.608 7.608 8.256 -0.648 25125 2540 1 4 . 1 1 87 87 LEU N N 87 121.913 121.913 121.475 0.438 25125 2541 1 4 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.715 0.204 25125 2542 1 4 . 1 1 87 87 LEU C C 87 177.586 177.586 177.780 -0.194 25125 2543 1 4 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.015 -0.178 25125 2544 1 4 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.795 0.520 25125 2545 1 4 . 1 1 87 87 LEU H H 87 7.498 7.498 7.579 -0.081 25125 2546 1 4 . 1 1 88 88 ASP N N 88 117.621 117.621 117.950 -0.329 25125 2547 1 4 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.246 0.026 25125 2548 1 4 . 1 1 88 88 ASP C C 88 178.246 178.246 177.341 0.905 25125 2549 1 4 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.073 -0.263 25125 2550 1 4 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.561 -0.427 25125 2551 1 4 . 1 1 88 88 ASP H H 88 8.322 8.322 8.641 -0.319 25125 2552 1 4 . 1 1 89 89 ALA N N 89 122.874 122.874 119.984 2.890 25125 2553 1 4 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.379 -0.285 25125 2554 1 4 . 1 1 89 89 ALA C C 89 179.346 179.346 178.992 0.354 25125 2555 1 4 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.249 -0.096 25125 2556 1 4 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.732 -0.471 25125 2557 1 4 . 1 1 89 89 ALA H H 89 7.838 7.838 7.488 0.350 25125 2558 1 4 . 1 1 90 90 ALA N N 90 121.673 121.673 121.713 -0.040 25125 2559 1 4 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.358 -0.425 25125 2560 1 4 . 1 1 90 90 ALA C C 90 178.686 178.686 180.100 -1.414 25125 2561 1 4 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.133 0.530 25125 2562 1 4 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.352 0.030 25125 2563 1 4 . 1 1 90 90 ALA H H 90 7.896 7.896 7.498 0.398 25125 2564 1 4 . 1 1 91 91 VAL N N 91 117.749 117.749 119.505 -1.756 25125 2565 1 4 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.992 -0.380 25125 2566 1 4 . 1 1 91 91 VAL C C 91 178.411 178.411 177.541 0.870 25125 2567 1 4 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.211 -1.030 25125 2568 1 4 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.645 -0.008 25125 2569 1 4 . 1 1 91 91 VAL H H 91 8.098 8.098 8.645 -0.546 25125 2570 1 4 . 1 1 92 92 SER N N 92 114.942 114.942 114.467 0.475 25125 2571 1 4 . 1 1 92 92 SER HA H 92 4.231 4.231 4.414 -0.183 25125 2572 1 4 . 1 1 92 92 SER C C 92 175.826 175.826 175.436 0.390 25125 2573 1 4 . 1 1 92 92 SER CA C 92 60.649 60.649 59.994 0.655 25125 2574 1 4 . 1 1 92 92 SER CB C 92 63.063 63.063 64.044 -0.981 25125 2575 1 4 . 1 1 92 92 SER H H 92 7.825 7.825 8.308 -0.483 25125 2576 1 4 . 1 1 93 93 ALA N N 93 122.580 122.580 123.417 -0.837 25125 2577 1 4 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.225 -0.168 25125 2578 1 4 . 1 1 93 93 ALA C C 93 178.906 178.906 179.576 -0.670 25125 2579 1 4 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.590 -0.273 25125 2580 1 4 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.738 -0.441 25125 2581 1 4 . 1 1 93 93 ALA H H 93 7.861 7.861 7.626 0.235 25125 2582 1 4 . 1 1 94 94 TYR N N 94 118.447 118.447 120.639 -2.192 25125 2583 1 4 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.294 0.198 25125 2584 1 4 . 1 1 94 94 TYR C C 94 177.393 177.393 177.441 -0.048 25125 2585 1 4 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.838 -0.587 25125 2586 1 4 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.414 0.020 25125 2587 1 4 . 1 1 94 94 TYR H H 94 8.150 8.150 7.906 0.244 25125 2588 1 4 . 1 1 95 95 GLN N N 95 119.787 119.787 116.082 3.705 25125 2589 1 4 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.066 -0.023 25125 2590 1 4 . 1 1 95 95 GLN C C 95 176.981 176.981 176.627 0.354 25125 2591 1 4 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.958 0.508 25125 2592 1 4 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.738 0.351 25125 2593 1 4 . 1 1 95 95 GLN H H 95 8.271 8.271 8.049 0.222 25125 2594 1 4 . 1 1 96 96 GLN N N 96 117.878 117.878 118.449 -0.571 25125 2595 1 4 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.245 0.100 25125 2596 1 4 . 1 1 96 96 GLN C C 96 175.854 175.854 176.118 -0.264 25125 2597 1 4 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.904 0.267 25125 2598 1 4 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.087 0.388 25125 2599 1 4 . 1 1 96 96 GLN H H 96 7.944 7.944 7.693 0.251 25125 2600 1 4 . 1 1 97 97 GLY N N 97 106.670 106.670 105.633 1.037 25125 2601 1 4 . 1 1 97 97 GLY C C 97 174.231 174.231 173.001 1.230 25125 2602 1 4 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.731 0.755 25125 2603 1 4 . 1 1 97 97 GLY H H 97 7.949 7.949 7.809 0.140 25125 2604 1 4 . 1 1 98 98 ALA N N 98 122.898 122.898 121.412 1.486 25125 2605 1 4 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.456 -0.081 25125 2606 1 4 . 1 1 98 98 ALA C C 98 175.991 175.991 175.502 0.489 25125 2607 1 4 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.959 2.209 25125 2608 1 4 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.161 -1.192 25125 2609 1 4 . 1 1 98 98 ALA H H 98 7.808 7.808 7.162 0.646 25125 2610 1 4 . 1 1 99 99 PHE N N 99 123.484 123.484 119.088 4.396 25125 2611 1 4 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.424 -0.074 25125 2612 1 4 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.745 1.711 25125 2613 1 4 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.234 -0.794 25125 2614 1 4 . 1 1 99 99 PHE H H 99 7.704 7.704 8.277 -0.573 25125 2615 1 4 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.941 0.563 25125 2616 1 4 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.351 -1.869 25125 2617 1 4 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.427 3.773 25125 2618 1 4 . 1 1 101 101 TYR N N 101 118.148 118.148 121.374 -3.226 25125 2619 1 4 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.532 0.916 25125 2620 1 4 . 1 1 101 101 TYR C C 101 173.159 173.159 174.444 -1.285 25125 2621 1 4 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.225 -1.238 25125 2622 1 4 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.972 2.926 25125 2623 1 4 . 1 1 101 101 TYR H H 101 9.546 9.546 7.373 2.173 25125 2624 1 4 . 1 1 102 102 LEU N N 102 124.100 124.100 119.192 4.908 25125 2625 1 4 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.127 -0.406 25125 2626 1 4 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.660 -1.161 25125 2627 1 4 . 1 1 102 102 LEU CB C 102 45.061 45.061 46.080 -1.019 25125 2628 1 4 . 1 1 102 102 LEU H H 102 8.901 8.901 8.897 0.004 25125 2629 1 4 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.482 0.410 25125 2630 1 4 . 1 1 103 103 PRO C C 103 175.524 175.524 175.422 0.102 25125 2631 1 4 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.558 -0.673 25125 2632 1 4 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.356 -0.549 25125 2633 1 4 . 1 1 104 104 LYS N N 104 118.848 118.848 121.636 -2.788 25125 2634 1 4 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.849 -0.336 25125 2635 1 4 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.421 -0.203 25125 2636 1 4 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.111 1.633 25125 2637 1 4 . 1 1 104 104 LYS H H 104 8.279 8.279 7.948 0.331 25125 2638 1 4 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.524 -0.225 25125 2639 1 4 . 1 1 105 105 PRO C C 105 175.001 175.001 175.384 -0.383 25125 2640 1 4 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.569 -0.175 25125 2641 1 4 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.309 1.786 25125 2642 1 4 . 1 1 106 106 PHE N N 106 116.607 116.607 114.432 2.175 25125 2643 1 4 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.791 0.379 25125 2644 1 4 . 1 1 106 106 PHE C C 106 175.221 175.221 173.874 1.347 25125 2645 1 4 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.668 -2.233 25125 2646 1 4 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.893 -0.493 25125 2647 1 4 . 1 1 106 106 PHE H H 106 7.457 7.457 7.486 -0.029 25125 2648 1 4 . 1 1 107 107 ASP N N 107 122.214 122.214 122.726 -0.512 25125 2649 1 4 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125 2650 1 4 . 1 1 107 107 ASP C C 107 177.778 177.778 176.997 0.781 25125 2651 1 4 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.643 -0.401 25125 2652 1 4 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.201 1.396 25125 2653 1 4 . 1 1 107 107 ASP H H 107 9.022 9.022 8.759 0.263 25125 2654 1 4 . 1 1 108 108 ILE N N 108 127.706 127.706 125.416 2.290 25125 2655 1 4 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.768 0.197 25125 2656 1 4 . 1 1 108 108 ILE C C 108 176.046 176.046 177.106 -1.060 25125 2657 1 4 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.938 -1.949 25125 2658 1 4 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.028 -0.273 25125 2659 1 4 . 1 1 108 108 ILE H H 108 8.860 8.860 8.819 0.041 25125 2660 1 4 . 1 1 109 109 ASP N N 109 120.058 120.058 118.718 1.340 25125 2661 1 4 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.405 -0.017 25125 2662 1 4 . 1 1 109 109 ASP C C 109 179.786 179.786 179.067 0.719 25125 2663 1 4 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.751 -0.257 25125 2664 1 4 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.978 0.076 25125 2665 1 4 . 1 1 109 109 ASP H H 109 8.079 8.079 8.636 -0.557 25125 2666 1 4 . 1 1 110 110 GLU N N 110 121.559 121.559 119.890 1.669 25125 2667 1 4 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.308 -0.240 25125 2668 1 4 . 1 1 110 110 GLU C C 110 179.043 179.043 178.355 0.688 25125 2669 1 4 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.152 0.674 25125 2670 1 4 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.694 -0.351 25125 2671 1 4 . 1 1 110 110 GLU H H 110 8.012 8.012 7.974 0.038 25125 2672 1 4 . 1 1 111 111 ALA N N 111 122.267 122.267 123.231 -0.964 25125 2673 1 4 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.060 -0.306 25125 2674 1 4 . 1 1 111 111 ALA C C 111 178.493 178.493 179.403 -0.910 25125 2675 1 4 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.252 -0.080 25125 2676 1 4 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.231 0.151 25125 2677 1 4 . 1 1 111 111 ALA H H 111 7.897 7.897 8.504 -0.607 25125 2678 1 4 . 1 1 112 112 VAL N N 112 116.527 116.527 118.329 -1.802 25125 2679 1 4 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.535 -0.368 25125 2680 1 4 . 1 1 112 112 VAL C C 112 177.201 177.201 177.941 -0.740 25125 2681 1 4 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.518 0.627 25125 2682 1 4 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.637 -0.085 25125 2683 1 4 . 1 1 112 112 VAL H H 112 8.018 8.018 8.175 -0.157 25125 2684 1 4 . 1 1 113 113 ALA N N 113 119.895 119.895 120.989 -1.094 25125 2685 1 4 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.218 -0.081 25125 2686 1 4 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.440 0.392 25125 2687 1 4 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.550 -0.678 25125 2688 1 4 . 1 1 113 113 ALA H H 113 7.673 7.673 7.484 0.189 25125 2689 1 4 . 1 1 114 114 LEU N N 114 120.650 120.650 120.485 0.165 25125 2690 1 4 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.159 -0.076 25125 2691 1 4 . 1 1 114 114 LEU C C 114 178.466 178.466 178.102 0.364 25125 2692 1 4 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.735 0.285 25125 2693 1 4 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.058 -0.225 25125 2694 1 4 . 1 1 114 114 LEU H H 114 7.840 7.840 7.795 0.045 25125 2695 1 4 . 1 1 115 115 VAL N N 115 119.480 119.480 116.661 2.819 25125 2696 1 4 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.710 -0.498 25125 2697 1 4 . 1 1 115 115 VAL C C 115 177.448 177.448 177.188 0.260 25125 2698 1 4 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.728 2.473 25125 2699 1 4 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.790 -1.118 25125 2700 1 4 . 1 1 115 115 VAL H H 115 7.824 7.824 7.792 0.032 25125 2701 1 4 . 1 1 116 116 GLU N N 116 117.473 117.473 120.454 -2.981 25125 2702 1 4 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.872 -0.083 25125 2703 1 4 . 1 1 116 116 GLU C C 116 179.566 179.566 178.754 0.812 25125 2704 1 4 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.242 -0.312 25125 2705 1 4 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.356 -0.260 25125 2706 1 4 . 1 1 116 116 GLU H H 116 8.465 8.465 7.554 0.911 25125 2707 1 4 . 1 1 117 117 ARG N N 117 120.128 120.128 116.724 3.404 25125 2708 1 4 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.153 -0.089 25125 2709 1 4 . 1 1 117 117 ARG C C 117 178.438 178.438 177.420 1.018 25125 2710 1 4 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.394 0.884 25125 2711 1 4 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.732 0.545 25125 2712 1 4 . 1 1 117 117 ARG H H 117 8.012 8.012 7.877 0.135 25125 2713 1 4 . 1 1 118 118 ALA N N 118 122.270 122.270 121.224 1.046 25125 2714 1 4 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.052 -0.596 25125 2715 1 4 . 1 1 118 118 ALA C C 118 178.741 178.741 178.426 0.315 25125 2716 1 4 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.557 1.021 25125 2717 1 4 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.237 -1.079 25125 2718 1 4 . 1 1 118 118 ALA H H 118 7.958 7.958 7.514 0.444 25125 2719 1 4 . 1 1 119 119 ILE N N 119 115.269 115.269 117.425 -2.156 25125 2720 1 4 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.018 -0.289 25125 2721 1 4 . 1 1 119 119 ILE C C 119 177.366 177.366 178.173 -0.807 25125 2722 1 4 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.496 -0.827 25125 2723 1 4 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.649 -0.851 25125 2724 1 4 . 1 1 119 119 ILE H H 119 7.753 7.753 7.806 -0.053 25125 2725 1 4 . 1 1 120 120 SER N N 120 115.135 115.135 115.521 -0.386 25125 2726 1 4 . 1 1 120 120 SER HA H 120 4.275 4.275 4.082 0.193 25125 2727 1 4 . 1 1 120 120 SER C C 120 175.084 175.084 175.008 0.076 25125 2728 1 4 . 1 1 120 120 SER CA C 120 59.816 59.816 61.039 -1.223 25125 2729 1 4 . 1 1 120 120 SER CB C 120 63.380 63.380 63.055 0.325 25125 2730 1 4 . 1 1 120 120 SER H H 120 7.816 7.816 8.348 -0.532 25125 2731 1 4 . 1 1 121 121 HIS N N 121 119.908 119.908 117.671 2.237 25125 2732 1 4 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.155 0.267 25125 2733 1 4 . 1 1 121 121 HIS C C 121 175.029 175.029 175.940 -0.911 25125 2734 1 4 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.304 -1.068 25125 2735 1 4 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.489 -0.061 25125 2736 1 4 . 1 1 121 121 HIS H H 121 7.910 7.910 7.906 0.004 25125 2737 1 4 . 1 1 122 122 TYR N N 122 118.880 118.880 115.825 3.055 25125 2738 1 4 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.646 -0.220 25125 2739 1 4 . 1 1 122 122 TYR C C 122 175.276 175.276 176.197 -0.921 25125 2740 1 4 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.630 -0.181 25125 2741 1 4 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.713 -1.109 25125 2742 1 4 . 1 1 122 122 TYR H H 122 7.766 7.766 7.791 -0.025 25125 2743 1 4 . 1 1 123 123 GLN N N 123 121.479 121.479 118.393 3.086 25125 2744 1 4 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.459 -0.189 25125 2745 1 4 . 1 1 123 123 GLN C C 123 174.534 174.534 175.343 -0.809 25125 2746 1 4 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.060 0.452 25125 2747 1 4 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.233 0.535 25125 2748 1 4 . 1 1 123 123 GLN H H 123 7.878 7.878 7.851 0.027 25125 2749 1 5 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.605 -0.172 25125 2750 1 5 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.415 0.149 25125 2751 1 5 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.005 2.595 25125 2752 1 5 . 1 1 3 3 ARG N N 3 121.252 121.252 119.273 1.979 25125 2753 1 5 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.136 0.229 25125 2754 1 5 . 1 1 3 3 ARG C C 3 175.634 175.634 176.577 -0.943 25125 2755 1 5 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.876 -0.885 25125 2756 1 5 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.085 1.212 25125 2757 1 5 . 1 1 3 3 ARG H H 3 8.429 8.429 7.788 0.641 25125 2758 1 5 . 1 1 4 4 GLY N N 4 107.663 107.663 107.911 -0.248 25125 2759 1 5 . 1 1 4 4 GLY C C 4 171.041 171.041 173.346 -2.305 25125 2760 1 5 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.509 0.807 25125 2761 1 5 . 1 1 4 4 GLY H H 4 7.963 7.963 7.802 0.161 25125 2762 1 5 . 1 1 5 5 ILE N N 5 122.603 122.603 125.008 -2.405 25125 2763 1 5 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.007 0.692 25125 2764 1 5 . 1 1 5 5 ILE C C 5 175.359 175.359 175.066 0.293 25125 2765 1 5 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.806 -1.196 25125 2766 1 5 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.365 0.211 25125 2767 1 5 . 1 1 5 5 ILE H H 5 9.610 9.610 8.189 1.421 25125 2768 1 5 . 1 1 6 6 VAL N N 6 127.905 127.905 124.429 3.476 25125 2769 1 5 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.969 -0.157 25125 2770 1 5 . 1 1 6 6 VAL C C 6 174.204 174.204 175.220 -1.016 25125 2771 1 5 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.403 -0.844 25125 2772 1 5 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.512 0.014 25125 2773 1 5 . 1 1 6 6 VAL H H 6 9.090 9.090 7.914 1.176 25125 2774 1 5 . 1 1 7 7 TRP N N 7 127.467 127.467 127.065 0.402 25125 2775 1 5 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.152 1.302 25125 2776 1 5 . 1 1 7 7 TRP C C 7 175.056 175.056 175.175 -0.119 25125 2777 1 5 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.400 -1.522 25125 2778 1 5 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.696 1.438 25125 2779 1 5 . 1 1 7 7 TRP H H 7 8.497 8.497 8.190 0.307 25125 2780 1 5 . 1 1 8 8 VAL N N 8 122.068 122.068 119.913 2.155 25125 2781 1 5 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.562 0.524 25125 2782 1 5 . 1 1 8 8 VAL C C 8 173.874 173.874 174.541 -0.667 25125 2783 1 5 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.940 -0.453 25125 2784 1 5 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.315 1.400 25125 2785 1 5 . 1 1 8 8 VAL H H 8 8.583 8.583 9.233 -0.650 25125 2786 1 5 . 1 1 9 9 VAL N N 9 127.733 127.733 123.160 4.573 25125 2787 1 5 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.512 0.449 25125 2788 1 5 . 1 1 9 9 VAL C C 9 173.131 173.131 173.510 -0.379 25125 2789 1 5 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.620 -1.945 25125 2790 1 5 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.288 -2.377 25125 2791 1 5 . 1 1 9 9 VAL H H 9 9.107 9.107 7.930 1.177 25125 2792 1 5 . 1 1 10 10 ASP N N 10 124.306 124.306 127.217 -2.911 25125 2793 1 5 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.875 -0.306 25125 2794 1 5 . 1 1 10 10 ASP C C 10 175.029 175.029 174.840 0.189 25125 2795 1 5 . 1 1 10 10 ASP CA C 10 54.747 54.747 54.904 -0.157 25125 2796 1 5 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.109 2.000 25125 2797 1 5 . 1 1 10 10 ASP H H 10 7.775 7.775 8.807 -1.032 25125 2798 1 5 . 1 1 11 11 ASP N N 11 126.714 126.714 118.436 8.278 25125 2799 1 5 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.687 -0.152 25125 2800 1 5 . 1 1 11 11 ASP C C 11 175.689 175.689 174.672 1.017 25125 2801 1 5 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.378 1.340 25125 2802 1 5 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.513 -0.439 25125 2803 1 5 . 1 1 11 11 ASP H H 11 9.033 9.033 8.413 0.620 25125 2804 1 5 . 1 1 12 12 ASP N N 12 121.877 121.877 120.431 1.446 25125 2805 1 5 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.873 -0.227 25125 2806 1 5 . 1 1 12 12 ASP C C 12 177.036 177.036 177.339 -0.303 25125 2807 1 5 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.045 -0.742 25125 2808 1 5 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.019 -1.855 25125 2809 1 5 . 1 1 12 12 ASP H H 12 9.570 9.570 7.970 1.600 25125 2810 1 5 . 1 1 13 13 SER N N 13 123.799 123.799 118.320 5.479 25125 2811 1 5 . 1 1 13 13 SER HA H 13 3.761 3.761 4.265 -0.504 25125 2812 1 5 . 1 1 13 13 SER C C 13 176.156 176.156 176.210 -0.054 25125 2813 1 5 . 1 1 13 13 SER CA C 13 61.186 61.186 61.301 -0.115 25125 2814 1 5 . 1 1 13 13 SER CB C 13 62.749 62.749 63.552 -0.803 25125 2815 1 5 . 1 1 13 13 SER H H 13 8.850 8.850 8.723 0.127 25125 2816 1 5 . 1 1 14 14 SER N N 14 119.123 119.123 119.190 -0.067 25125 2817 1 5 . 1 1 14 14 SER HA H 14 4.361 4.361 4.274 0.087 25125 2818 1 5 . 1 1 14 14 SER C C 14 176.404 176.404 176.798 -0.394 25125 2819 1 5 . 1 1 14 14 SER CA C 14 61.730 61.730 61.949 -0.219 25125 2820 1 5 . 1 1 14 14 SER CB C 14 62.548 62.548 62.550 -0.002 25125 2821 1 5 . 1 1 14 14 SER H H 14 8.531 8.531 8.498 0.033 25125 2822 1 5 . 1 1 15 15 ILE N N 15 123.637 123.637 119.543 4.094 25125 2823 1 5 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.800 0.145 25125 2824 1 5 . 1 1 15 15 ILE C C 15 177.861 177.861 178.199 -0.338 25125 2825 1 5 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.165 -2.965 25125 2826 1 5 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.701 -0.815 25125 2827 1 5 . 1 1 15 15 ILE H H 15 7.206 7.206 8.572 -1.366 25125 2828 1 5 . 1 1 16 16 ARG N N 16 116.694 116.694 117.800 -1.106 25125 2829 1 5 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.220 -0.497 25125 2830 1 5 . 1 1 16 16 ARG C C 16 177.448 177.448 178.455 -1.007 25125 2831 1 5 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.010 2.563 25125 2832 1 5 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.347 0.100 25125 2833 1 5 . 1 1 16 16 ARG H H 16 7.562 7.562 7.523 0.039 25125 2834 1 5 . 1 1 17 17 TRP N N 17 116.848 116.848 122.595 -5.747 25125 2835 1 5 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.459 0.012 25125 2836 1 5 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.587 -0.148 25125 2837 1 5 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.564 -0.272 25125 2838 1 5 . 1 1 17 17 TRP H H 17 8.005 8.005 7.425 0.580 25125 2839 1 5 . 1 1 18 18 VAL N N 18 116.964 116.964 117.112 -0.148 25125 2840 1 5 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.895 0.780 25125 2841 1 5 . 1 1 18 18 VAL C C 18 179.181 179.181 176.863 2.318 25125 2842 1 5 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.763 -0.055 25125 2843 1 5 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.702 0.935 25125 2844 1 5 . 1 1 18 18 VAL H H 18 8.110 8.110 8.733 -0.623 25125 2845 1 5 . 1 1 19 19 LEU N N 19 120.186 120.186 118.624 1.562 25125 2846 1 5 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.276 -0.201 25125 2847 1 5 . 1 1 19 19 LEU C C 19 177.778 177.778 178.923 -1.145 25125 2848 1 5 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.795 1.027 25125 2849 1 5 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.105 -0.324 25125 2850 1 5 . 1 1 19 19 LEU H H 19 8.073 8.073 7.581 0.492 25125 2851 1 5 . 1 1 20 20 GLU N N 20 120.193 120.193 120.849 -0.656 25125 2852 1 5 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.953 -0.012 25125 2853 1 5 . 1 1 20 20 GLU C C 20 178.603 178.603 178.791 -0.188 25125 2854 1 5 . 1 1 20 20 GLU CA C 20 60.610 60.610 60.066 0.544 25125 2855 1 5 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.804 -0.716 25125 2856 1 5 . 1 1 20 20 GLU H H 20 8.387 8.387 7.963 0.424 25125 2857 1 5 . 1 1 21 21 ARG N N 21 116.076 116.076 117.556 -1.480 25125 2858 1 5 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.897 -0.004 25125 2859 1 5 . 1 1 21 21 ARG C C 21 179.676 179.676 178.281 1.395 25125 2860 1 5 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.888 -0.438 25125 2861 1 5 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.186 0.667 25125 2862 1 5 . 1 1 21 21 ARG H H 21 7.602 7.602 8.301 -0.699 25125 2863 1 5 . 1 1 22 22 ALA N N 22 122.405 122.405 121.613 0.792 25125 2864 1 5 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.122 -0.025 25125 2865 1 5 . 1 1 22 22 ALA C C 22 180.501 180.501 178.967 1.534 25125 2866 1 5 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.320 0.258 25125 2867 1 5 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.140 1.092 25125 2868 1 5 . 1 1 22 22 ALA H H 22 7.992 7.992 7.786 0.206 25125 2869 1 5 . 1 1 23 23 LEU N N 23 118.026 118.026 118.425 -0.399 25125 2870 1 5 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.079 -0.078 25125 2871 1 5 . 1 1 23 23 LEU C C 23 178.878 178.878 178.810 0.068 25125 2872 1 5 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.627 1.094 25125 2873 1 5 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.996 -2.341 25125 2874 1 5 . 1 1 23 23 LEU H H 23 8.825 8.825 7.393 1.432 25125 2875 1 5 . 1 1 24 24 ALA N N 24 122.159 122.159 120.846 1.313 25125 2876 1 5 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.061 0.572 25125 2877 1 5 . 1 1 24 24 ALA C C 24 183.141 183.141 178.598 4.543 25125 2878 1 5 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.345 0.402 25125 2879 1 5 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.645 -0.943 25125 2880 1 5 . 1 1 24 24 ALA H H 24 8.125 8.125 8.304 -0.179 25125 2881 1 5 . 1 1 25 25 GLY N N 25 106.891 106.891 105.357 1.534 25125 2882 1 5 . 1 1 25 25 GLY C C 25 174.286 174.286 174.191 0.095 25125 2883 1 5 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.009 1.412 25125 2884 1 5 . 1 1 25 25 GLY H H 25 7.870 7.870 7.944 -0.074 25125 2885 1 5 . 1 1 26 26 ALA N N 26 121.819 121.819 123.586 -1.767 25125 2886 1 5 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.607 -0.108 25125 2887 1 5 . 1 1 26 26 ALA C C 26 176.953 176.953 177.301 -0.348 25125 2888 1 5 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.278 0.242 25125 2889 1 5 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.133 -1.411 25125 2890 1 5 . 1 1 26 26 ALA H H 26 7.285 7.285 7.388 -0.103 25125 2891 1 5 . 1 1 27 27 GLY N N 27 106.197 106.197 106.785 -0.588 25125 2892 1 5 . 1 1 27 27 GLY C C 27 173.956 173.956 173.210 0.746 25125 2893 1 5 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.993 0.323 25125 2894 1 5 . 1 1 27 27 GLY H H 27 7.824 7.824 8.378 -0.554 25125 2895 1 5 . 1 1 28 28 LEU N N 28 120.291 120.291 119.065 1.226 25125 2896 1 5 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.846 -0.271 25125 2897 1 5 . 1 1 28 28 LEU C C 28 175.881 175.881 176.090 -0.209 25125 2898 1 5 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.988 0.655 25125 2899 1 5 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.646 -2.161 25125 2900 1 5 . 1 1 28 28 LEU H H 28 7.678 7.678 7.184 0.494 25125 2901 1 5 . 1 1 29 29 THR N N 29 118.040 118.040 116.540 1.500 25125 2902 1 5 . 1 1 29 29 THR HA H 29 4.335 4.335 4.301 0.034 25125 2903 1 5 . 1 1 29 29 THR C C 29 173.186 173.186 174.354 -1.168 25125 2904 1 5 . 1 1 29 29 THR CA C 29 62.479 62.479 63.685 -1.206 25125 2905 1 5 . 1 1 29 29 THR CB C 29 69.465 69.465 69.491 -0.026 25125 2906 1 5 . 1 1 29 29 THR H H 29 8.527 8.527 8.573 -0.046 25125 2907 1 5 . 1 1 30 30 CYS N N 30 128.387 128.387 121.703 6.684 25125 2908 1 5 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.598 0.345 25125 2909 1 5 . 1 1 30 30 CYS C C 30 173.846 173.846 174.021 -0.175 25125 2910 1 5 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.636 -0.274 25125 2911 1 5 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.749 -1.269 25125 2912 1 5 . 1 1 30 30 CYS H H 30 8.968 8.968 8.398 0.570 25125 2913 1 5 . 1 1 31 31 THR N N 31 126.481 126.481 123.153 3.328 25125 2914 1 5 . 1 1 31 31 THR HA H 31 4.433 4.433 4.413 0.020 25125 2915 1 5 . 1 1 31 31 THR C C 31 172.609 172.609 173.537 -0.928 25125 2916 1 5 . 1 1 31 31 THR CA C 31 61.951 61.951 61.558 0.393 25125 2917 1 5 . 1 1 31 31 THR CB C 31 70.567 70.567 69.988 0.579 25125 2918 1 5 . 1 1 31 31 THR H H 31 8.614 8.614 8.494 0.120 25125 2919 1 5 . 1 1 32 32 THR N N 32 116.418 116.418 118.283 -1.865 25125 2920 1 5 . 1 1 32 32 THR HA H 32 5.330 5.330 5.202 0.128 25125 2921 1 5 . 1 1 32 32 THR C C 32 172.306 172.306 173.411 -1.105 25125 2922 1 5 . 1 1 32 32 THR CA C 32 59.173 59.173 60.640 -1.467 25125 2923 1 5 . 1 1 32 32 THR CB C 32 70.917 70.917 69.965 0.952 25125 2924 1 5 . 1 1 32 32 THR H H 32 8.299 8.299 8.237 0.062 25125 2925 1 5 . 1 1 33 33 PHE N N 33 118.067 118.067 125.295 -7.228 25125 2926 1 5 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.753 -0.110 25125 2927 1 5 . 1 1 33 33 PHE C C 33 174.341 174.341 176.350 -2.009 25125 2928 1 5 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.296 0.236 25125 2929 1 5 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.546 1.763 25125 2930 1 5 . 1 1 33 33 PHE H H 33 8.890 8.890 8.931 -0.041 25125 2931 1 5 . 1 1 34 34 GLU N N 34 118.499 118.499 117.199 1.300 25125 2932 1 5 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.392 -0.038 25125 2933 1 5 . 1 1 34 34 GLU C C 34 175.414 175.414 175.745 -0.331 25125 2934 1 5 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.972 -0.280 25125 2935 1 5 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.002 0.465 25125 2936 1 5 . 1 1 34 34 GLU H H 34 9.023 9.023 8.734 0.289 25125 2937 1 5 . 1 1 35 35 ASN N N 35 109.907 109.907 117.440 -7.533 25125 2938 1 5 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.974 -0.193 25125 2939 1 5 . 1 1 35 35 ASN C C 35 175.139 175.139 176.676 -1.537 25125 2940 1 5 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.138 0.008 25125 2941 1 5 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.260 1.063 25125 2942 1 5 . 1 1 35 35 ASN H H 35 7.401 7.401 8.124 -0.723 25125 2943 1 5 . 1 1 36 36 GLY N N 36 106.739 106.739 112.138 -5.399 25125 2944 1 5 . 1 1 36 36 GLY C C 36 174.616 174.616 175.586 -0.970 25125 2945 1 5 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.180 -0.164 25125 2946 1 5 . 1 1 36 36 GLY H H 36 8.877 8.877 8.989 -0.113 25125 2947 1 5 . 1 1 37 37 ASN N N 37 120.462 120.462 119.187 1.275 25125 2948 1 5 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.491 -0.129 25125 2949 1 5 . 1 1 37 37 ASN C C 37 178.686 178.686 177.245 1.441 25125 2950 1 5 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.988 0.544 25125 2951 1 5 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.396 -0.812 25125 2952 1 5 . 1 1 37 37 ASN H H 37 8.366 8.366 8.547 -0.181 25125 2953 1 5 . 1 1 38 38 GLU N N 38 119.360 119.360 117.684 1.676 25125 2954 1 5 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.306 -0.236 25125 2955 1 5 . 1 1 38 38 GLU C C 38 179.263 179.263 178.060 1.203 25125 2956 1 5 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.161 1.471 25125 2957 1 5 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.632 0.900 25125 2958 1 5 . 1 1 38 38 GLU H H 38 7.990 7.990 8.199 -0.209 25125 2959 1 5 . 1 1 39 39 VAL N N 39 119.259 119.259 119.526 -0.267 25125 2960 1 5 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.140 -0.372 25125 2961 1 5 . 1 1 39 39 VAL C C 39 176.431 176.431 177.506 -1.075 25125 2962 1 5 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.757 0.186 25125 2963 1 5 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.816 -0.741 25125 2964 1 5 . 1 1 39 39 VAL H H 39 6.883 6.883 7.680 -0.797 25125 2965 1 5 . 1 1 40 40 LEU N N 40 119.627 119.627 121.150 -1.523 25125 2966 1 5 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.005 -0.078 25125 2967 1 5 . 1 1 40 40 LEU C C 40 179.538 179.538 177.905 1.633 25125 2968 1 5 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.082 -0.142 25125 2969 1 5 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.432 -0.364 25125 2970 1 5 . 1 1 40 40 LEU H H 40 7.692 7.692 7.984 -0.292 25125 2971 1 5 . 1 1 41 41 ALA N N 41 120.051 120.051 120.374 -0.323 25125 2972 1 5 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.126 0.014 25125 2973 1 5 . 1 1 41 41 ALA C C 41 180.528 180.528 179.654 0.874 25125 2974 1 5 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.621 0.029 25125 2975 1 5 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.872 -0.006 25125 2976 1 5 . 1 1 41 41 ALA H H 41 7.553 7.553 7.984 -0.431 25125 2977 1 5 . 1 1 42 42 ALA N N 42 122.731 122.731 122.207 0.524 25125 2978 1 5 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.132 0.067 25125 2979 1 5 . 1 1 42 42 ALA C C 42 180.198 180.198 180.304 -0.106 25125 2980 1 5 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.527 0.505 25125 2981 1 5 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.204 1.195 25125 2982 1 5 . 1 1 42 42 ALA H H 42 7.604 7.604 7.212 0.392 25125 2983 1 5 . 1 1 43 43 LEU N N 43 119.131 119.131 118.661 0.470 25125 2984 1 5 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.936 1.270 25125 2985 1 5 . 1 1 43 43 LEU C C 43 177.421 177.421 179.119 -1.698 25125 2986 1 5 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.449 -1.904 25125 2987 1 5 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.032 1.572 25125 2988 1 5 . 1 1 43 43 LEU H H 43 8.288 8.288 8.039 0.249 25125 2989 1 5 . 1 1 44 44 ALA N N 44 119.065 119.065 118.619 0.446 25125 2990 1 5 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.150 0.079 25125 2991 1 5 . 1 1 44 44 ALA C C 44 178.686 178.686 178.521 0.165 25125 2992 1 5 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.883 0.355 25125 2993 1 5 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.314 0.202 25125 2994 1 5 . 1 1 44 44 ALA H H 44 7.302 7.302 7.649 -0.347 25125 2995 1 5 . 1 1 45 45 SER N N 45 108.656 108.656 114.530 -5.874 25125 2996 1 5 . 1 1 45 45 SER HA H 45 4.742 4.742 4.363 0.379 25125 2997 1 5 . 1 1 45 45 SER C C 45 173.296 173.296 176.154 -2.858 25125 2998 1 5 . 1 1 45 45 SER CA C 45 58.656 58.656 60.783 -2.127 25125 2999 1 5 . 1 1 45 45 SER CB C 45 65.407 65.407 63.777 1.630 25125 3000 1 5 . 1 1 45 45 SER H H 45 7.728 7.728 8.131 -0.403 25125 3001 1 5 . 1 1 46 46 LYS N N 46 123.016 123.016 117.367 5.649 25125 3002 1 5 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.616 -0.030 25125 3003 1 5 . 1 1 46 46 LYS C C 46 172.719 172.719 175.597 -2.878 25125 3004 1 5 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.319 -0.807 25125 3005 1 5 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.078 2.147 25125 3006 1 5 . 1 1 46 46 LYS H H 46 8.101 8.101 8.034 0.067 25125 3007 1 5 . 1 1 47 47 THR N N 47 111.780 111.780 114.362 -2.582 25125 3008 1 5 . 1 1 47 47 THR HA H 47 4.282 4.282 3.858 0.424 25125 3009 1 5 . 1 1 47 47 THR CA C 47 57.806 57.806 62.269 -4.463 25125 3010 1 5 . 1 1 47 47 THR CB C 47 70.594 70.594 67.932 2.662 25125 3011 1 5 . 1 1 47 47 THR H H 47 7.677 7.677 7.830 -0.153 25125 3012 1 5 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.894 0.011 25125 3013 1 5 . 1 1 48 48 PRO C C 48 172.966 172.966 175.572 -2.606 25125 3014 1 5 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.267 -1.402 25125 3015 1 5 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.627 -1.350 25125 3016 1 5 . 1 1 49 49 ASP N N 49 115.035 115.035 118.781 -3.746 25125 3017 1 5 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.597 -0.153 25125 3018 1 5 . 1 1 49 49 ASP C C 49 175.634 175.634 175.198 0.436 25125 3019 1 5 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.687 0.760 25125 3020 1 5 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.071 0.441 25125 3021 1 5 . 1 1 49 49 ASP H H 49 8.502 8.502 8.238 0.264 25125 3022 1 5 . 1 1 50 50 VAL N N 50 112.082 112.082 114.209 -2.127 25125 3023 1 5 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.495 -0.215 25125 3024 1 5 . 1 1 50 50 VAL C C 50 171.454 171.454 172.872 -1.418 25125 3025 1 5 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.625 -1.063 25125 3026 1 5 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.701 -0.065 25125 3027 1 5 . 1 1 50 50 VAL H H 50 7.173 7.173 7.070 0.103 25125 3028 1 5 . 1 1 51 51 LEU N N 51 128.247 128.247 125.420 2.827 25125 3029 1 5 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.410 -0.091 25125 3030 1 5 . 1 1 51 51 LEU C C 51 173.104 173.104 174.951 -1.847 25125 3031 1 5 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.925 0.293 25125 3032 1 5 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.883 -0.377 25125 3033 1 5 . 1 1 51 51 LEU H H 51 8.059 8.059 8.062 -0.003 25125 3034 1 5 . 1 1 52 52 LEU N N 52 128.407 128.407 120.509 7.898 25125 3035 1 5 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.243 0.258 25125 3036 1 5 . 1 1 52 52 LEU C C 52 175.414 175.414 175.780 -0.366 25125 3037 1 5 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.254 0.069 25125 3038 1 5 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.673 1.848 25125 3039 1 5 . 1 1 52 52 LEU H H 52 9.242 9.242 8.291 0.951 25125 3040 1 5 . 1 1 53 53 SER N N 53 114.946 114.946 117.943 -2.997 25125 3041 1 5 . 1 1 53 53 SER HA H 53 5.595 5.595 5.287 0.308 25125 3042 1 5 . 1 1 53 53 SER C C 53 174.644 174.644 174.302 0.342 25125 3043 1 5 . 1 1 53 53 SER CA C 53 55.954 55.954 56.243 -0.289 25125 3044 1 5 . 1 1 53 53 SER CB C 53 66.473 66.473 65.680 0.793 25125 3045 1 5 . 1 1 53 53 SER H H 53 8.695 8.695 7.955 0.740 25125 3046 1 5 . 1 1 54 54 ASP N N 54 128.341 128.341 127.485 0.856 25125 3047 1 5 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.840 0.485 25125 3048 1 5 . 1 1 54 54 ASP C C 54 176.816 176.816 175.958 0.858 25125 3049 1 5 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.365 0.128 25125 3050 1 5 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.234 0.094 25125 3051 1 5 . 1 1 54 54 ASP H H 54 7.886 7.886 8.175 -0.289 25125 3052 1 5 . 1 1 55 55 ILE N N 55 121.229 121.229 118.755 2.474 25125 3053 1 5 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.703 0.482 25125 3054 1 5 . 1 1 55 55 ILE C C 55 175.084 175.084 174.248 0.836 25125 3055 1 5 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.326 -0.784 25125 3056 1 5 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.143 2.886 25125 3057 1 5 . 1 1 55 55 ILE H H 55 8.722 8.722 7.572 1.150 25125 3058 1 5 . 1 1 56 56 ARG N N 56 124.188 124.188 124.794 -0.606 25125 3059 1 5 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.534 -0.029 25125 3060 1 5 . 1 1 56 56 ARG C C 56 175.661 175.661 175.018 0.643 25125 3061 1 5 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.815 -0.374 25125 3062 1 5 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.560 -1.198 25125 3063 1 5 . 1 1 56 56 ARG H H 56 8.499 8.499 8.602 -0.103 25125 3064 1 5 . 1 1 57 57 MET N N 57 122.581 122.581 118.946 3.635 25125 3065 1 5 . 1 1 57 57 MET HA H 57 4.821 4.821 5.339 -0.518 25125 3066 1 5 . 1 1 57 57 MET CA C 57 53.132 53.132 52.068 1.064 25125 3067 1 5 . 1 1 57 57 MET CB C 57 33.445 33.445 32.930 0.515 25125 3068 1 5 . 1 1 57 57 MET H H 57 7.956 7.956 7.959 -0.003 25125 3069 1 5 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.323 0.070 25125 3070 1 5 . 1 1 58 58 PRO C C 58 177.806 177.806 177.746 0.060 25125 3071 1 5 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.927 -1.429 25125 3072 1 5 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.700 0.107 25125 3073 1 5 . 1 1 59 59 GLY N N 59 111.082 111.082 108.499 2.583 25125 3074 1 5 . 1 1 59 59 GLY C C 59 173.626 173.626 174.454 -0.828 25125 3075 1 5 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.292 0.298 25125 3076 1 5 . 1 1 59 59 GLY H H 59 8.653 8.653 8.458 0.195 25125 3077 1 5 . 1 1 60 60 MET N N 60 120.052 120.052 119.711 0.341 25125 3078 1 5 . 1 1 60 60 MET HA H 60 4.525 4.525 4.512 0.013 25125 3079 1 5 . 1 1 60 60 MET C C 60 173.956 173.956 175.284 -1.328 25125 3080 1 5 . 1 1 60 60 MET CA C 60 55.047 55.047 55.865 -0.818 25125 3081 1 5 . 1 1 60 60 MET CB C 60 34.506 34.506 34.072 0.435 25125 3082 1 5 . 1 1 60 60 MET H H 60 7.968 7.968 7.925 0.043 25125 3083 1 5 . 1 1 61 61 ASP N N 61 121.306 121.306 120.597 0.709 25125 3084 1 5 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.674 0.030 25125 3085 1 5 . 1 1 61 61 ASP C C 61 176.761 176.761 177.501 -0.740 25125 3086 1 5 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.458 -0.729 25125 3087 1 5 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.071 -0.002 25125 3088 1 5 . 1 1 61 61 ASP H H 61 8.379 8.379 8.673 -0.294 25125 3089 1 5 . 1 1 62 62 GLY N N 62 110.874 110.874 107.892 2.982 25125 3090 1 5 . 1 1 62 62 GLY C C 62 175.194 175.194 175.534 -0.340 25125 3091 1 5 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.052 1.049 25125 3092 1 5 . 1 1 62 62 GLY H H 62 8.707 8.707 8.067 0.640 25125 3093 1 5 . 1 1 63 63 LEU N N 63 121.299 121.299 122.598 -1.299 25125 3094 1 5 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.222 -0.045 25125 3095 1 5 . 1 1 63 63 LEU C C 63 178.356 178.356 178.408 -0.052 25125 3096 1 5 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.538 0.340 25125 3097 1 5 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.270 0.968 25125 3098 1 5 . 1 1 63 63 LEU H H 63 8.045 8.045 7.683 0.362 25125 3099 1 5 . 1 1 64 64 ALA N N 64 122.741 122.741 123.293 -0.552 25125 3100 1 5 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.024 0.038 25125 3101 1 5 . 1 1 64 64 ALA C C 64 180.556 180.556 178.717 1.839 25125 3102 1 5 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.934 -0.320 25125 3103 1 5 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.056 -0.056 25125 3104 1 5 . 1 1 64 64 ALA H H 64 7.859 7.859 8.040 -0.181 25125 3105 1 5 . 1 1 65 65 LEU N N 65 120.287 120.287 114.696 5.591 25125 3106 1 5 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.448 -0.386 25125 3107 1 5 . 1 1 65 65 LEU C C 65 178.191 178.191 179.082 -0.891 25125 3108 1 5 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.364 1.655 25125 3109 1 5 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.289 -1.051 25125 3110 1 5 . 1 1 65 65 LEU H H 65 8.022 8.022 7.629 0.393 25125 3111 1 5 . 1 1 66 66 LEU N N 66 118.738 118.738 121.216 -2.478 25125 3112 1 5 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.171 -0.313 25125 3113 1 5 . 1 1 66 66 LEU C C 66 178.631 178.631 178.542 0.089 25125 3114 1 5 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.431 1.915 25125 3115 1 5 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.674 0.564 25125 3116 1 5 . 1 1 66 66 LEU H H 66 8.101 8.101 7.690 0.411 25125 3117 1 5 . 1 1 67 67 LYS N N 67 117.842 117.842 118.401 -0.559 25125 3118 1 5 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.105 -0.123 25125 3119 1 5 . 1 1 67 67 LYS C C 67 179.263 179.263 178.806 0.457 25125 3120 1 5 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.020 0.777 25125 3121 1 5 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.281 -0.074 25125 3122 1 5 . 1 1 67 67 LYS H H 67 8.010 8.010 8.193 -0.183 25125 3123 1 5 . 1 1 68 68 GLN N N 68 118.875 118.875 118.488 0.387 25125 3124 1 5 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.210 -0.154 25125 3125 1 5 . 1 1 68 68 GLN C C 68 179.071 179.071 177.728 1.343 25125 3126 1 5 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.239 0.835 25125 3127 1 5 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.645 -0.035 25125 3128 1 5 . 1 1 68 68 GLN H H 68 7.809 7.809 7.724 0.085 25125 3129 1 5 . 1 1 69 69 ILE N N 69 120.377 120.377 121.482 -1.105 25125 3130 1 5 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.918 -0.388 25125 3131 1 5 . 1 1 69 69 ILE C C 69 177.421 177.421 178.238 -0.817 25125 3132 1 5 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.049 0.829 25125 3133 1 5 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.735 -0.151 25125 3134 1 5 . 1 1 69 69 ILE H H 69 8.481 8.481 7.520 0.961 25125 3135 1 5 . 1 1 70 70 LYS N N 70 117.873 117.873 117.961 -0.088 25125 3136 1 5 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.192 -0.232 25125 3137 1 5 . 1 1 70 70 LYS C C 70 178.053 178.053 177.780 0.273 25125 3138 1 5 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.491 -1.403 25125 3139 1 5 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.349 -1.137 25125 3140 1 5 . 1 1 70 70 LYS H H 70 8.220 8.220 7.776 0.444 25125 3141 1 5 . 1 1 71 71 GLN N N 71 116.315 116.315 116.466 -0.151 25125 3142 1 5 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.173 -0.181 25125 3143 1 5 . 1 1 71 71 GLN C C 71 177.366 177.366 177.325 0.041 25125 3144 1 5 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.914 0.276 25125 3145 1 5 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.515 -0.850 25125 3146 1 5 . 1 1 71 71 GLN H H 71 7.601 7.601 7.697 -0.096 25125 3147 1 5 . 1 1 72 72 ARG N N 72 116.530 116.530 118.317 -1.787 25125 3148 1 5 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.261 -0.231 25125 3149 1 5 . 1 1 72 72 ARG C C 72 175.826 175.826 176.501 -0.675 25125 3150 1 5 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.696 0.526 25125 3151 1 5 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.208 -0.406 25125 3152 1 5 . 1 1 72 72 ARG H H 72 7.301 7.301 7.959 -0.658 25125 3153 1 5 . 1 1 73 73 HIS N N 73 116.755 116.755 117.727 -0.972 25125 3154 1 5 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.010 -0.050 25125 3155 1 5 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.529 -0.311 25125 3156 1 5 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.670 0.892 25125 3157 1 5 . 1 1 73 73 HIS H H 73 8.331 8.331 7.834 0.497 25125 3158 1 5 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.327 0.172 25125 3159 1 5 . 1 1 74 74 PRO C C 74 178.466 178.466 178.003 0.463 25125 3160 1 5 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.390 -0.277 25125 3161 1 5 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.181 -0.086 25125 3162 1 5 . 1 1 75 75 MET N N 75 114.814 114.814 114.148 0.666 25125 3163 1 5 . 1 1 75 75 MET HA H 75 4.567 4.567 4.449 0.118 25125 3164 1 5 . 1 1 75 75 MET C C 75 176.046 176.046 176.048 -0.002 25125 3165 1 5 . 1 1 75 75 MET CA C 75 54.266 54.266 56.414 -2.148 25125 3166 1 5 . 1 1 75 75 MET CB C 75 31.288 31.288 31.991 -0.703 25125 3167 1 5 . 1 1 75 75 MET H H 75 8.623 8.623 7.911 0.712 25125 3168 1 5 . 1 1 76 76 LEU N N 76 125.533 125.533 123.576 1.957 25125 3169 1 5 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.696 -0.391 25125 3170 1 5 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.321 1.791 25125 3171 1 5 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.929 0.756 25125 3172 1 5 . 1 1 76 76 LEU H H 76 7.337 7.337 7.163 0.174 25125 3173 1 5 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.519 -0.073 25125 3174 1 5 . 1 1 77 77 PRO C C 77 174.974 174.974 175.288 -0.314 25125 3175 1 5 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.602 0.225 25125 3176 1 5 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.427 -0.705 25125 3177 1 5 . 1 1 78 78 VAL N N 78 123.779 123.779 121.055 2.724 25125 3178 1 5 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.507 0.517 25125 3179 1 5 . 1 1 78 78 VAL C C 78 175.441 175.441 175.794 -0.353 25125 3180 1 5 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.809 -0.615 25125 3181 1 5 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.706 -1.412 25125 3182 1 5 . 1 1 78 78 VAL H H 78 8.317 8.317 8.188 0.129 25125 3183 1 5 . 1 1 79 79 ILE N N 79 128.334 128.334 124.586 3.748 25125 3184 1 5 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.763 -0.282 25125 3185 1 5 . 1 1 79 79 ILE C C 79 174.479 174.479 174.851 -0.372 25125 3186 1 5 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.357 -0.835 25125 3187 1 5 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.008 -2.045 25125 3188 1 5 . 1 1 79 79 ILE H H 79 9.292 9.292 8.806 0.486 25125 3189 1 5 . 1 1 80 80 ILE N N 80 127.023 127.023 125.872 1.151 25125 3190 1 5 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.375 0.484 25125 3191 1 5 . 1 1 80 80 ILE C C 80 175.029 175.029 175.008 0.021 25125 3192 1 5 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.697 -1.540 25125 3193 1 5 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.998 -1.054 25125 3194 1 5 . 1 1 80 80 ILE H H 80 7.938 7.938 8.842 -0.904 25125 3195 1 5 . 1 1 81 81 MET N N 81 127.255 127.255 124.800 2.455 25125 3196 1 5 . 1 1 81 81 MET HA H 81 5.521 5.521 5.344 0.177 25125 3197 1 5 . 1 1 81 81 MET C C 81 174.534 174.534 175.561 -1.027 25125 3198 1 5 . 1 1 81 81 MET CA C 81 53.513 53.513 55.244 -1.731 25125 3199 1 5 . 1 1 81 81 MET CB C 81 35.483 35.483 36.153 -0.670 25125 3200 1 5 . 1 1 81 81 MET H H 81 8.801 8.801 8.838 -0.037 25125 3201 1 5 . 1 1 82 82 THR N N 82 112.857 112.857 116.882 -4.025 25125 3202 1 5 . 1 1 82 82 THR HA H 82 4.914 4.914 4.452 0.462 25125 3203 1 5 . 1 1 82 82 THR C C 82 172.581 172.581 174.283 -1.702 25125 3204 1 5 . 1 1 82 82 THR CA C 82 59.561 59.561 63.752 -4.191 25125 3205 1 5 . 1 1 82 82 THR CB C 82 69.989 69.989 69.350 0.639 25125 3206 1 5 . 1 1 82 82 THR H H 82 7.623 7.623 8.544 -0.921 25125 3207 1 5 . 1 1 83 83 ALA N N 83 129.541 129.541 123.845 5.696 25125 3208 1 5 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.967 0.741 25125 3209 1 5 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.203 -1.665 25125 3210 1 5 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.927 2.220 25125 3211 1 5 . 1 1 83 83 ALA H H 83 9.149 9.149 8.322 0.827 25125 3212 1 5 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.487 -0.215 25125 3213 1 5 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.189 4.511 25125 3214 1 5 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.418 0.600 25125 3215 1 5 . 1 1 85 85 SER N N 85 112.633 112.633 116.642 -4.009 25125 3216 1 5 . 1 1 85 85 SER HA H 85 4.198 4.198 3.996 0.202 25125 3217 1 5 . 1 1 85 85 SER C C 85 174.506 174.506 173.390 1.116 25125 3218 1 5 . 1 1 85 85 SER CA C 85 59.823 59.823 60.406 -0.583 25125 3219 1 5 . 1 1 85 85 SER CB C 85 62.693 62.693 62.341 0.352 25125 3220 1 5 . 1 1 85 85 SER H H 85 8.224 8.224 8.672 -0.448 25125 3221 1 5 . 1 1 86 86 ASP N N 86 120.886 120.886 123.974 -3.088 25125 3222 1 5 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.405 0.531 25125 3223 1 5 . 1 1 86 86 ASP C C 86 175.881 175.881 176.569 -0.688 25125 3224 1 5 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.408 -1.474 25125 3225 1 5 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.798 1.205 25125 3226 1 5 . 1 1 86 86 ASP H H 86 7.608 7.608 8.213 -0.605 25125 3227 1 5 . 1 1 87 87 LEU N N 87 121.913 121.913 121.429 0.484 25125 3228 1 5 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.766 0.153 25125 3229 1 5 . 1 1 87 87 LEU C C 87 177.586 177.586 177.679 -0.093 25125 3230 1 5 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.392 -0.555 25125 3231 1 5 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.907 0.408 25125 3232 1 5 . 1 1 87 87 LEU H H 87 7.498 7.498 7.409 0.089 25125 3233 1 5 . 1 1 88 88 ASP N N 88 117.621 117.621 118.137 -0.516 25125 3234 1 5 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.174 0.098 25125 3235 1 5 . 1 1 88 88 ASP C C 88 178.246 178.246 177.454 0.792 25125 3236 1 5 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.537 -0.727 25125 3237 1 5 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.696 -0.562 25125 3238 1 5 . 1 1 88 88 ASP H H 88 8.322 8.322 8.827 -0.505 25125 3239 1 5 . 1 1 89 89 ALA N N 89 122.874 122.874 120.467 2.407 25125 3240 1 5 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.346 -0.252 25125 3241 1 5 . 1 1 89 89 ALA C C 89 179.346 179.346 179.177 0.169 25125 3242 1 5 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.251 -0.098 25125 3243 1 5 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.605 -0.344 25125 3244 1 5 . 1 1 89 89 ALA H H 89 7.838 7.838 7.257 0.581 25125 3245 1 5 . 1 1 90 90 ALA N N 90 121.673 121.673 121.767 -0.094 25125 3246 1 5 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.141 -0.208 25125 3247 1 5 . 1 1 90 90 ALA C C 90 178.686 178.686 180.263 -1.577 25125 3248 1 5 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.731 -0.068 25125 3249 1 5 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.155 0.227 25125 3250 1 5 . 1 1 90 90 ALA H H 90 7.896 7.896 7.630 0.266 25125 3251 1 5 . 1 1 91 91 VAL N N 91 117.749 117.749 119.252 -1.503 25125 3252 1 5 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.013 -0.401 25125 3253 1 5 . 1 1 91 91 VAL C C 91 178.411 178.411 177.246 1.165 25125 3254 1 5 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.340 -1.159 25125 3255 1 5 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.624 0.013 25125 3256 1 5 . 1 1 91 91 VAL H H 91 8.098 8.098 8.606 -0.508 25125 3257 1 5 . 1 1 92 92 SER N N 92 114.942 114.942 113.920 1.022 25125 3258 1 5 . 1 1 92 92 SER HA H 92 4.231 4.231 4.425 -0.194 25125 3259 1 5 . 1 1 92 92 SER C C 92 175.826 175.826 175.217 0.609 25125 3260 1 5 . 1 1 92 92 SER CA C 92 60.649 60.649 59.948 0.701 25125 3261 1 5 . 1 1 92 92 SER CB C 92 63.063 63.063 64.205 -1.142 25125 3262 1 5 . 1 1 92 92 SER H H 92 7.825 7.825 7.911 -0.086 25125 3263 1 5 . 1 1 93 93 ALA N N 93 122.580 122.580 123.037 -0.457 25125 3264 1 5 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.196 -0.139 25125 3265 1 5 . 1 1 93 93 ALA C C 93 178.906 178.906 179.724 -0.818 25125 3266 1 5 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.566 -0.249 25125 3267 1 5 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.634 -0.337 25125 3268 1 5 . 1 1 93 93 ALA H H 93 7.861 7.861 8.125 -0.264 25125 3269 1 5 . 1 1 94 94 TYR N N 94 118.447 118.447 120.550 -2.103 25125 3270 1 5 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.297 0.195 25125 3271 1 5 . 1 1 94 94 TYR C C 94 177.393 177.393 177.395 -0.002 25125 3272 1 5 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.876 -0.625 25125 3273 1 5 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.418 0.016 25125 3274 1 5 . 1 1 94 94 TYR H H 94 8.150 8.150 7.862 0.288 25125 3275 1 5 . 1 1 95 95 GLN N N 95 119.787 119.787 116.051 3.736 25125 3276 1 5 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125 3277 1 5 . 1 1 95 95 GLN C C 95 176.981 176.981 176.676 0.305 25125 3278 1 5 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.042 0.423 25125 3279 1 5 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.710 0.379 25125 3280 1 5 . 1 1 95 95 GLN H H 95 8.271 8.271 8.185 0.086 25125 3281 1 5 . 1 1 96 96 GLN N N 96 117.878 117.878 118.030 -0.152 25125 3282 1 5 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.222 0.123 25125 3283 1 5 . 1 1 96 96 GLN C C 96 175.854 175.854 176.579 -0.725 25125 3284 1 5 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.531 -0.360 25125 3285 1 5 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.402 0.073 25125 3286 1 5 . 1 1 96 96 GLN H H 96 7.944 7.944 7.684 0.260 25125 3287 1 5 . 1 1 97 97 GLY N N 97 106.670 106.670 105.813 0.857 25125 3288 1 5 . 1 1 97 97 GLY C C 97 174.231 174.231 173.189 1.042 25125 3289 1 5 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.613 0.873 25125 3290 1 5 . 1 1 97 97 GLY H H 97 7.949 7.949 7.720 0.229 25125 3291 1 5 . 1 1 98 98 ALA N N 98 122.898 122.898 122.424 0.474 25125 3292 1 5 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.448 -0.073 25125 3293 1 5 . 1 1 98 98 ALA C C 98 175.991 175.991 175.489 0.502 25125 3294 1 5 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.273 1.895 25125 3295 1 5 . 1 1 98 98 ALA CB C 98 18.969 18.969 19.925 -0.956 25125 3296 1 5 . 1 1 98 98 ALA H H 98 7.808 7.808 7.208 0.600 25125 3297 1 5 . 1 1 99 99 PHE N N 99 123.484 123.484 118.358 5.126 25125 3298 1 5 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.546 -0.196 25125 3299 1 5 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.072 2.385 25125 3300 1 5 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.736 -1.296 25125 3301 1 5 . 1 1 99 99 PHE H H 99 7.704 7.704 8.126 -0.422 25125 3302 1 5 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.873 0.631 25125 3303 1 5 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.676 -1.194 25125 3304 1 5 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.789 3.411 25125 3305 1 5 . 1 1 101 101 TYR N N 101 118.148 118.148 120.519 -2.371 25125 3306 1 5 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.506 0.942 25125 3307 1 5 . 1 1 101 101 TYR C C 101 173.159 173.159 174.717 -1.558 25125 3308 1 5 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.683 0.304 25125 3309 1 5 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.872 3.026 25125 3310 1 5 . 1 1 101 101 TYR H H 101 9.546 9.546 7.338 2.208 25125 3311 1 5 . 1 1 102 102 LEU N N 102 124.100 124.100 122.088 2.012 25125 3312 1 5 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.062 -0.342 25125 3313 1 5 . 1 1 102 102 LEU CA C 102 50.499 50.499 50.944 -0.445 25125 3314 1 5 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.579 0.482 25125 3315 1 5 . 1 1 102 102 LEU H H 102 8.901 8.901 8.688 0.213 25125 3316 1 5 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.553 0.340 25125 3317 1 5 . 1 1 103 103 PRO C C 103 175.524 175.524 175.693 -0.169 25125 3318 1 5 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.765 -0.880 25125 3319 1 5 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.524 -0.717 25125 3320 1 5 . 1 1 104 104 LYS N N 104 118.848 118.848 120.584 -1.736 25125 3321 1 5 . 1 1 104 104 LYS HA H 104 4.513 4.513 5.048 -0.535 25125 3322 1 5 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.784 0.434 25125 3323 1 5 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.562 2.182 25125 3324 1 5 . 1 1 104 104 LYS H H 104 8.279 8.279 8.245 0.034 25125 3325 1 5 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.338 -0.039 25125 3326 1 5 . 1 1 105 105 PRO C C 105 175.001 175.001 175.883 -0.882 25125 3327 1 5 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.670 -0.276 25125 3328 1 5 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.102 1.993 25125 3329 1 5 . 1 1 106 106 PHE N N 106 116.607 116.607 116.068 0.539 25125 3330 1 5 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.697 0.473 25125 3331 1 5 . 1 1 106 106 PHE C C 106 175.221 175.221 174.201 1.020 25125 3332 1 5 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.118 -2.683 25125 3333 1 5 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.355 0.045 25125 3334 1 5 . 1 1 106 106 PHE H H 106 7.457 7.457 7.637 -0.180 25125 3335 1 5 . 1 1 107 107 ASP N N 107 122.214 122.214 122.145 0.069 25125 3336 1 5 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.005 -0.173 25125 3337 1 5 . 1 1 107 107 ASP C C 107 177.778 177.778 176.929 0.849 25125 3338 1 5 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.842 -0.600 25125 3339 1 5 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.683 0.914 25125 3340 1 5 . 1 1 107 107 ASP H H 107 9.022 9.022 8.590 0.432 25125 3341 1 5 . 1 1 108 108 ILE N N 108 127.706 127.706 124.887 2.819 25125 3342 1 5 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.775 0.190 25125 3343 1 5 . 1 1 108 108 ILE C C 108 176.046 176.046 177.370 -1.324 25125 3344 1 5 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.787 -1.798 25125 3345 1 5 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.115 -0.361 25125 3346 1 5 . 1 1 108 108 ILE H H 108 8.860 8.860 8.800 0.060 25125 3347 1 5 . 1 1 109 109 ASP N N 109 120.058 120.058 119.336 0.722 25125 3348 1 5 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.349 0.039 25125 3349 1 5 . 1 1 109 109 ASP C C 109 179.786 179.786 178.703 1.083 25125 3350 1 5 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.582 -0.088 25125 3351 1 5 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.507 -0.453 25125 3352 1 5 . 1 1 109 109 ASP H H 109 8.079 8.079 8.528 -0.449 25125 3353 1 5 . 1 1 110 110 GLU N N 110 121.559 121.559 119.307 2.252 25125 3354 1 5 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.206 -0.138 25125 3355 1 5 . 1 1 110 110 GLU C C 110 179.043 179.043 178.380 0.663 25125 3356 1 5 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.557 0.269 25125 3357 1 5 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.712 -0.369 25125 3358 1 5 . 1 1 110 110 GLU H H 110 8.012 8.012 8.070 -0.058 25125 3359 1 5 . 1 1 111 111 ALA N N 111 122.267 122.267 123.287 -1.020 25125 3360 1 5 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.980 -0.226 25125 3361 1 5 . 1 1 111 111 ALA C C 111 178.493 178.493 179.470 -0.977 25125 3362 1 5 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.217 -0.044 25125 3363 1 5 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.282 0.100 25125 3364 1 5 . 1 1 111 111 ALA H H 111 7.897 7.897 7.817 0.080 25125 3365 1 5 . 1 1 112 112 VAL N N 112 116.527 116.527 117.914 -1.387 25125 3366 1 5 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.528 -0.361 25125 3367 1 5 . 1 1 112 112 VAL C C 112 177.201 177.201 177.761 -0.560 25125 3368 1 5 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.496 0.648 25125 3369 1 5 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.621 -0.069 25125 3370 1 5 . 1 1 112 112 VAL H H 112 8.018 8.018 8.427 -0.409 25125 3371 1 5 . 1 1 113 113 ALA N N 113 119.895 119.895 120.906 -1.011 25125 3372 1 5 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.360 -0.222 25125 3373 1 5 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.239 0.593 25125 3374 1 5 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.611 -0.739 25125 3375 1 5 . 1 1 113 113 ALA H H 113 7.673 7.673 7.397 0.276 25125 3376 1 5 . 1 1 114 114 LEU N N 114 120.650 120.650 120.606 0.044 25125 3377 1 5 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.135 -0.052 25125 3378 1 5 . 1 1 114 114 LEU C C 114 178.466 178.466 178.541 -0.075 25125 3379 1 5 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.685 0.335 25125 3380 1 5 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.106 -0.273 25125 3381 1 5 . 1 1 114 114 LEU H H 114 7.840 7.840 7.809 0.032 25125 3382 1 5 . 1 1 115 115 VAL N N 115 119.480 119.480 118.228 1.252 25125 3383 1 5 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.536 -0.324 25125 3384 1 5 . 1 1 115 115 VAL C C 115 177.448 177.448 177.059 0.389 25125 3385 1 5 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.972 1.229 25125 3386 1 5 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.834 -1.162 25125 3387 1 5 . 1 1 115 115 VAL H H 115 7.824 7.824 8.033 -0.209 25125 3388 1 5 . 1 1 116 116 GLU N N 116 117.473 117.473 119.396 -1.923 25125 3389 1 5 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.891 -0.102 25125 3390 1 5 . 1 1 116 116 GLU C C 116 179.566 179.566 178.715 0.851 25125 3391 1 5 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.787 0.143 25125 3392 1 5 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.187 -0.091 25125 3393 1 5 . 1 1 116 116 GLU H H 116 8.465 8.465 7.598 0.867 25125 3394 1 5 . 1 1 117 117 ARG N N 117 120.128 120.128 119.364 0.764 25125 3395 1 5 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.039 0.025 25125 3396 1 5 . 1 1 117 117 ARG C C 117 178.438 178.438 176.985 1.453 25125 3397 1 5 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.912 0.366 25125 3398 1 5 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.067 0.210 25125 3399 1 5 . 1 1 117 117 ARG H H 117 8.012 8.012 7.628 0.385 25125 3400 1 5 . 1 1 118 118 ALA N N 118 122.270 122.270 120.692 1.578 25125 3401 1 5 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.909 -0.453 25125 3402 1 5 . 1 1 118 118 ALA C C 118 178.741 178.741 178.815 -0.074 25125 3403 1 5 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.715 0.862 25125 3404 1 5 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.155 -0.997 25125 3405 1 5 . 1 1 118 118 ALA H H 118 7.958 7.958 7.112 0.846 25125 3406 1 5 . 1 1 119 119 ILE N N 119 115.269 115.269 118.214 -2.945 25125 3407 1 5 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.819 -0.091 25125 3408 1 5 . 1 1 119 119 ILE C C 119 177.366 177.366 178.604 -1.238 25125 3409 1 5 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.806 -1.137 25125 3410 1 5 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.003 -0.205 25125 3411 1 5 . 1 1 119 119 ILE H H 119 7.753 7.753 7.861 -0.108 25125 3412 1 5 . 1 1 120 120 SER N N 120 115.135 115.135 114.803 0.332 25125 3413 1 5 . 1 1 120 120 SER HA H 120 4.275 4.275 4.161 0.114 25125 3414 1 5 . 1 1 120 120 SER C C 120 175.084 175.084 176.429 -1.345 25125 3415 1 5 . 1 1 120 120 SER CA C 120 59.816 59.816 61.553 -1.737 25125 3416 1 5 . 1 1 120 120 SER CB C 120 63.380 63.380 62.316 1.064 25125 3417 1 5 . 1 1 120 120 SER H H 120 7.816 7.816 8.448 -0.632 25125 3418 1 5 . 1 1 121 121 HIS N N 121 119.908 119.908 119.722 0.186 25125 3419 1 5 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.341 0.081 25125 3420 1 5 . 1 1 121 121 HIS C C 121 175.029 175.029 175.395 -0.366 25125 3421 1 5 . 1 1 121 121 HIS CA C 121 57.236 57.236 57.958 -0.722 25125 3422 1 5 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.117 0.311 25125 3423 1 5 . 1 1 121 121 HIS H H 121 7.910 7.910 7.658 0.252 25125 3424 1 5 . 1 1 122 122 TYR N N 122 118.880 118.880 115.795 3.085 25125 3425 1 5 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.813 -0.387 25125 3426 1 5 . 1 1 122 122 TYR C C 122 175.276 175.276 175.035 0.241 25125 3427 1 5 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.786 0.663 25125 3428 1 5 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.672 -0.069 25125 3429 1 5 . 1 1 122 122 TYR H H 122 7.766 7.766 7.840 -0.074 25125 3430 1 5 . 1 1 123 123 GLN N N 123 121.479 121.479 117.468 4.011 25125 3431 1 5 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.393 -0.123 25125 3432 1 5 . 1 1 123 123 GLN C C 123 174.534 174.534 175.454 -0.920 25125 3433 1 5 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.769 -0.257 25125 3434 1 5 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.743 -1.975 25125 3435 1 5 . 1 1 123 123 GLN H H 123 7.878 7.878 8.032 -0.154 25125 3436 1 6 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.907 0.526 25125 3437 1 6 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.194 -0.630 25125 3438 1 6 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.315 2.285 25125 3439 1 6 . 1 1 3 3 ARG N N 3 121.252 121.252 117.100 4.152 25125 3440 1 6 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.093 0.272 25125 3441 1 6 . 1 1 3 3 ARG C C 3 175.634 175.634 175.443 0.191 25125 3442 1 6 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.786 -0.795 25125 3443 1 6 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.253 1.044 25125 3444 1 6 . 1 1 3 3 ARG H H 3 8.429 8.429 8.199 0.230 25125 3445 1 6 . 1 1 4 4 GLY N N 4 107.663 107.663 106.557 1.106 25125 3446 1 6 . 1 1 4 4 GLY C C 4 171.041 171.041 173.371 -2.330 25125 3447 1 6 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.392 0.924 25125 3448 1 6 . 1 1 4 4 GLY H H 4 7.963 7.963 7.660 0.303 25125 3449 1 6 . 1 1 5 5 ILE N N 5 122.603 122.603 124.530 -1.927 25125 3450 1 6 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.013 0.686 25125 3451 1 6 . 1 1 5 5 ILE C C 5 175.359 175.359 174.855 0.504 25125 3452 1 6 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.587 -0.977 25125 3453 1 6 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.376 0.200 25125 3454 1 6 . 1 1 5 5 ILE H H 5 9.610 9.610 8.333 1.277 25125 3455 1 6 . 1 1 6 6 VAL N N 6 127.905 127.905 124.613 3.292 25125 3456 1 6 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.946 -0.134 25125 3457 1 6 . 1 1 6 6 VAL C C 6 174.204 174.204 175.131 -0.927 25125 3458 1 6 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.790 -1.231 25125 3459 1 6 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.793 0.733 25125 3460 1 6 . 1 1 6 6 VAL H H 6 9.090 9.090 7.898 1.192 25125 3461 1 6 . 1 1 7 7 TRP N N 7 127.467 127.467 126.952 0.515 25125 3462 1 6 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.336 1.118 25125 3463 1 6 . 1 1 7 7 TRP C C 7 175.056 175.056 175.142 -0.086 25125 3464 1 6 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.352 -1.474 25125 3465 1 6 . 1 1 7 7 TRP CB C 7 33.134 33.134 33.056 0.077 25125 3466 1 6 . 1 1 7 7 TRP H H 7 8.497 8.497 8.535 -0.038 25125 3467 1 6 . 1 1 8 8 VAL N N 8 122.068 122.068 117.732 4.336 25125 3468 1 6 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.686 0.400 25125 3469 1 6 . 1 1 8 8 VAL C C 8 173.874 173.874 174.200 -0.326 25125 3470 1 6 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.292 -0.806 25125 3471 1 6 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.236 -0.521 25125 3472 1 6 . 1 1 8 8 VAL H H 8 8.583 8.583 9.515 -0.932 25125 3473 1 6 . 1 1 9 9 VAL N N 9 127.733 127.733 124.510 3.223 25125 3474 1 6 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.648 0.313 25125 3475 1 6 . 1 1 9 9 VAL C C 9 173.131 173.131 173.922 -0.791 25125 3476 1 6 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.774 -1.099 25125 3477 1 6 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.809 0.102 25125 3478 1 6 . 1 1 9 9 VAL H H 9 9.107 9.107 8.670 0.437 25125 3479 1 6 . 1 1 10 10 ASP N N 10 124.306 124.306 124.938 -0.632 25125 3480 1 6 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.899 -0.330 25125 3481 1 6 . 1 1 10 10 ASP C C 10 175.029 175.029 174.702 0.327 25125 3482 1 6 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.573 2.174 25125 3483 1 6 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.545 0.564 25125 3484 1 6 . 1 1 10 10 ASP H H 10 7.775 7.775 7.956 -0.181 25125 3485 1 6 . 1 1 11 11 ASP N N 11 126.714 126.714 118.100 8.614 25125 3486 1 6 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.908 -0.373 25125 3487 1 6 . 1 1 11 11 ASP C C 11 175.689 175.689 174.821 0.868 25125 3488 1 6 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.258 2.460 25125 3489 1 6 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.864 0.210 25125 3490 1 6 . 1 1 11 11 ASP H H 11 9.033 9.033 8.637 0.396 25125 3491 1 6 . 1 1 12 12 ASP N N 12 121.877 121.877 119.903 1.974 25125 3492 1 6 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.990 -0.344 25125 3493 1 6 . 1 1 12 12 ASP C C 12 177.036 177.036 176.133 0.903 25125 3494 1 6 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.137 0.166 25125 3495 1 6 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.388 -3.224 25125 3496 1 6 . 1 1 12 12 ASP H H 12 9.570 9.570 8.166 1.404 25125 3497 1 6 . 1 1 13 13 SER N N 13 123.799 123.799 117.778 6.021 25125 3498 1 6 . 1 1 13 13 SER HA H 13 3.761 3.761 4.264 -0.503 25125 3499 1 6 . 1 1 13 13 SER C C 13 176.156 176.156 176.164 -0.008 25125 3500 1 6 . 1 1 13 13 SER CA C 13 61.186 61.186 61.467 -0.281 25125 3501 1 6 . 1 1 13 13 SER CB C 13 62.749 62.749 63.464 -0.715 25125 3502 1 6 . 1 1 13 13 SER H H 13 8.850 8.850 8.759 0.091 25125 3503 1 6 . 1 1 14 14 SER N N 14 119.123 119.123 116.977 2.146 25125 3504 1 6 . 1 1 14 14 SER HA H 14 4.361 4.361 4.350 0.011 25125 3505 1 6 . 1 1 14 14 SER C C 14 176.404 176.404 176.525 -0.121 25125 3506 1 6 . 1 1 14 14 SER CA C 14 61.730 61.730 61.582 0.148 25125 3507 1 6 . 1 1 14 14 SER CB C 14 62.548 62.548 62.615 -0.067 25125 3508 1 6 . 1 1 14 14 SER H H 14 8.531 8.531 8.665 -0.134 25125 3509 1 6 . 1 1 15 15 ILE N N 15 123.637 123.637 120.431 3.206 25125 3510 1 6 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.875 0.070 25125 3511 1 6 . 1 1 15 15 ILE C C 15 177.861 177.861 178.059 -0.198 25125 3512 1 6 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.220 -3.020 25125 3513 1 6 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.986 -1.100 25125 3514 1 6 . 1 1 15 15 ILE H H 15 7.206 7.206 8.170 -0.964 25125 3515 1 6 . 1 1 16 16 ARG N N 16 116.694 116.694 118.999 -2.305 25125 3516 1 6 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.264 -0.541 25125 3517 1 6 . 1 1 16 16 ARG C C 16 177.448 177.448 178.473 -1.025 25125 3518 1 6 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.880 2.693 25125 3519 1 6 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.182 0.265 25125 3520 1 6 . 1 1 16 16 ARG H H 16 7.562 7.562 7.507 0.055 25125 3521 1 6 . 1 1 17 17 TRP N N 17 116.848 116.848 123.146 -6.298 25125 3522 1 6 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.262 0.209 25125 3523 1 6 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.169 -0.729 25125 3524 1 6 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.297 -0.004 25125 3525 1 6 . 1 1 17 17 TRP H H 17 8.005 8.005 8.356 -0.351 25125 3526 1 6 . 1 1 18 18 VAL N N 18 116.964 116.964 118.974 -2.010 25125 3527 1 6 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.705 0.970 25125 3528 1 6 . 1 1 18 18 VAL C C 18 179.181 179.181 177.686 1.495 25125 3529 1 6 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.140 0.568 25125 3530 1 6 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.279 0.358 25125 3531 1 6 . 1 1 18 18 VAL H H 18 8.110 8.110 8.364 -0.254 25125 3532 1 6 . 1 1 19 19 LEU N N 19 120.186 120.186 117.585 2.601 25125 3533 1 6 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.149 -0.074 25125 3534 1 6 . 1 1 19 19 LEU C C 19 177.778 177.778 178.949 -1.171 25125 3535 1 6 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.188 0.634 25125 3536 1 6 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.515 0.266 25125 3537 1 6 . 1 1 19 19 LEU H H 19 8.073 8.073 7.386 0.687 25125 3538 1 6 . 1 1 20 20 GLU N N 20 120.193 120.193 120.416 -0.223 25125 3539 1 6 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.090 -0.149 25125 3540 1 6 . 1 1 20 20 GLU C C 20 178.603 178.603 178.664 -0.061 25125 3541 1 6 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.365 1.245 25125 3542 1 6 . 1 1 20 20 GLU CB C 20 29.088 29.088 30.002 -0.914 25125 3543 1 6 . 1 1 20 20 GLU H H 20 8.387 8.387 8.137 0.250 25125 3544 1 6 . 1 1 21 21 ARG N N 21 116.076 116.076 118.418 -2.342 25125 3545 1 6 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.961 -0.068 25125 3546 1 6 . 1 1 21 21 ARG C C 21 179.676 179.676 178.380 1.296 25125 3547 1 6 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.040 -0.591 25125 3548 1 6 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.303 0.550 25125 3549 1 6 . 1 1 21 21 ARG H H 21 7.602 7.602 7.948 -0.346 25125 3550 1 6 . 1 1 22 22 ALA N N 22 122.405 122.405 122.420 -0.015 25125 3551 1 6 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.045 0.052 25125 3552 1 6 . 1 1 22 22 ALA C C 22 180.501 180.501 179.072 1.429 25125 3553 1 6 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.622 -0.044 25125 3554 1 6 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.246 0.986 25125 3555 1 6 . 1 1 22 22 ALA H H 22 7.992 7.992 7.772 0.220 25125 3556 1 6 . 1 1 23 23 LEU N N 23 118.026 118.026 117.792 0.234 25125 3557 1 6 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.250 -0.249 25125 3558 1 6 . 1 1 23 23 LEU C C 23 178.878 178.878 178.976 -0.098 25125 3559 1 6 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.402 1.319 25125 3560 1 6 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.171 -2.516 25125 3561 1 6 . 1 1 23 23 LEU H H 23 8.825 8.825 7.462 1.363 25125 3562 1 6 . 1 1 24 24 ALA N N 24 122.159 122.159 123.160 -1.001 25125 3563 1 6 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.032 0.601 25125 3564 1 6 . 1 1 24 24 ALA C C 24 183.141 183.141 180.276 2.865 25125 3565 1 6 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.891 -0.144 25125 3566 1 6 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.310 -0.608 25125 3567 1 6 . 1 1 24 24 ALA H H 24 8.125 8.125 7.935 0.190 25125 3568 1 6 . 1 1 25 25 GLY N N 25 106.891 106.891 104.641 2.250 25125 3569 1 6 . 1 1 25 25 GLY C C 25 174.286 174.286 174.446 -0.160 25125 3570 1 6 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.351 1.070 25125 3571 1 6 . 1 1 25 25 GLY H H 25 7.870 7.870 8.211 -0.341 25125 3572 1 6 . 1 1 26 26 ALA N N 26 121.819 121.819 123.566 -1.747 25125 3573 1 6 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.408 0.091 25125 3574 1 6 . 1 1 26 26 ALA C C 26 176.953 176.953 177.344 -0.391 25125 3575 1 6 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.496 0.023 25125 3576 1 6 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.089 -1.367 25125 3577 1 6 . 1 1 26 26 ALA H H 26 7.285 7.285 7.447 -0.162 25125 3578 1 6 . 1 1 27 27 GLY N N 27 106.197 106.197 106.816 -0.619 25125 3579 1 6 . 1 1 27 27 GLY C C 27 173.956 173.956 173.680 0.276 25125 3580 1 6 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.263 0.053 25125 3581 1 6 . 1 1 27 27 GLY H H 27 7.824 7.824 7.750 0.074 25125 3582 1 6 . 1 1 28 28 LEU N N 28 120.291 120.291 117.865 2.426 25125 3583 1 6 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125 3584 1 6 . 1 1 28 28 LEU C C 28 175.881 175.881 176.255 -0.374 25125 3585 1 6 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.875 0.768 25125 3586 1 6 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.340 -1.855 25125 3587 1 6 . 1 1 28 28 LEU H H 28 7.678 7.678 7.575 0.103 25125 3588 1 6 . 1 1 29 29 THR N N 29 118.040 118.040 116.365 1.675 25125 3589 1 6 . 1 1 29 29 THR HA H 29 4.335 4.335 4.184 0.151 25125 3590 1 6 . 1 1 29 29 THR C C 29 173.186 173.186 174.030 -0.844 25125 3591 1 6 . 1 1 29 29 THR CA C 29 62.479 62.479 64.769 -2.290 25125 3592 1 6 . 1 1 29 29 THR CB C 29 69.465 69.465 69.499 -0.035 25125 3593 1 6 . 1 1 29 29 THR H H 29 8.527 8.527 8.516 0.011 25125 3594 1 6 . 1 1 30 30 CYS N N 30 128.387 128.387 120.455 7.932 25125 3595 1 6 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.521 0.422 25125 3596 1 6 . 1 1 30 30 CYS C C 30 173.846 173.846 174.083 -0.237 25125 3597 1 6 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.696 -0.334 25125 3598 1 6 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.465 -1.985 25125 3599 1 6 . 1 1 30 30 CYS H H 30 8.968 8.968 8.282 0.686 25125 3600 1 6 . 1 1 31 31 THR N N 31 126.481 126.481 123.344 3.137 25125 3601 1 6 . 1 1 31 31 THR HA H 31 4.433 4.433 4.338 0.095 25125 3602 1 6 . 1 1 31 31 THR C C 31 172.609 172.609 173.265 -0.656 25125 3603 1 6 . 1 1 31 31 THR CA C 31 61.951 61.951 61.316 0.635 25125 3604 1 6 . 1 1 31 31 THR CB C 31 70.567 70.567 69.380 1.187 25125 3605 1 6 . 1 1 31 31 THR H H 31 8.614 8.614 8.407 0.207 25125 3606 1 6 . 1 1 32 32 THR N N 32 116.418 116.418 118.247 -1.829 25125 3607 1 6 . 1 1 32 32 THR HA H 32 5.330 5.330 4.777 0.553 25125 3608 1 6 . 1 1 32 32 THR C C 32 172.306 172.306 173.195 -0.889 25125 3609 1 6 . 1 1 32 32 THR CA C 32 59.173 59.173 60.738 -1.565 25125 3610 1 6 . 1 1 32 32 THR CB C 32 70.917 70.917 69.902 1.015 25125 3611 1 6 . 1 1 32 32 THR H H 32 8.299 8.299 8.251 0.048 25125 3612 1 6 . 1 1 33 33 PHE N N 33 118.067 118.067 124.481 -6.414 25125 3613 1 6 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.904 -0.261 25125 3614 1 6 . 1 1 33 33 PHE C C 33 174.341 174.341 174.463 -0.122 25125 3615 1 6 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.483 0.049 25125 3616 1 6 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.399 0.910 25125 3617 1 6 . 1 1 33 33 PHE H H 33 8.890 8.890 8.831 0.059 25125 3618 1 6 . 1 1 34 34 GLU N N 34 118.499 118.499 116.555 1.944 25125 3619 1 6 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.873 -0.519 25125 3620 1 6 . 1 1 34 34 GLU C C 34 175.414 175.414 174.935 0.479 25125 3621 1 6 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.490 0.202 25125 3622 1 6 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.310 1.157 25125 3623 1 6 . 1 1 34 34 GLU H H 34 9.023 9.023 9.031 -0.008 25125 3624 1 6 . 1 1 35 35 ASN N N 35 109.907 109.907 118.444 -8.537 25125 3625 1 6 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.717 0.064 25125 3626 1 6 . 1 1 35 35 ASN C C 35 175.139 175.139 174.793 0.346 25125 3627 1 6 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.505 -1.359 25125 3628 1 6 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.283 2.040 25125 3629 1 6 . 1 1 35 35 ASN H H 35 7.401 7.401 8.264 -0.863 25125 3630 1 6 . 1 1 36 36 GLY N N 36 106.739 106.739 106.031 0.708 25125 3631 1 6 . 1 1 36 36 GLY C C 36 174.616 174.616 175.197 -0.581 25125 3632 1 6 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.255 1.761 25125 3633 1 6 . 1 1 36 36 GLY H H 36 8.877 8.877 8.041 0.836 25125 3634 1 6 . 1 1 37 37 ASN N N 37 120.462 120.462 121.541 -1.079 25125 3635 1 6 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.378 -0.016 25125 3636 1 6 . 1 1 37 37 ASN C C 37 178.686 178.686 176.322 2.364 25125 3637 1 6 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.743 0.789 25125 3638 1 6 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.448 -0.864 25125 3639 1 6 . 1 1 37 37 ASN H H 37 8.366 8.366 8.692 -0.326 25125 3640 1 6 . 1 1 38 38 GLU N N 38 119.360 119.360 117.536 1.824 25125 3641 1 6 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.111 -0.041 25125 3642 1 6 . 1 1 38 38 GLU C C 38 179.263 179.263 177.562 1.701 25125 3643 1 6 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.450 0.181 25125 3644 1 6 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.936 1.595 25125 3645 1 6 . 1 1 38 38 GLU H H 38 7.990 7.990 8.331 -0.341 25125 3646 1 6 . 1 1 39 39 VAL N N 39 119.259 119.259 119.739 -0.480 25125 3647 1 6 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.228 -0.460 25125 3648 1 6 . 1 1 39 39 VAL C C 39 176.431 176.431 177.533 -1.102 25125 3649 1 6 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.477 1.466 25125 3650 1 6 . 1 1 39 39 VAL CB C 39 31.075 31.075 30.953 0.122 25125 3651 1 6 . 1 1 39 39 VAL H H 39 6.883 6.883 7.784 -0.901 25125 3652 1 6 . 1 1 40 40 LEU N N 40 119.627 119.627 121.979 -2.352 25125 3653 1 6 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125 3654 1 6 . 1 1 40 40 LEU C C 40 179.538 179.538 178.350 1.188 25125 3655 1 6 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.206 -0.266 25125 3656 1 6 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.217 -0.149 25125 3657 1 6 . 1 1 40 40 LEU H H 40 7.692 7.692 7.546 0.146 25125 3658 1 6 . 1 1 41 41 ALA N N 41 120.051 120.051 119.592 0.459 25125 3659 1 6 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.128 0.012 25125 3660 1 6 . 1 1 41 41 ALA C C 41 180.528 180.528 179.655 0.873 25125 3661 1 6 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.459 0.191 25125 3662 1 6 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.038 -0.172 25125 3663 1 6 . 1 1 41 41 ALA H H 41 7.553 7.553 7.591 -0.038 25125 3664 1 6 . 1 1 42 42 ALA N N 42 122.731 122.731 122.507 0.224 25125 3665 1 6 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.137 0.062 25125 3666 1 6 . 1 1 42 42 ALA C C 42 180.198 180.198 180.159 0.039 25125 3667 1 6 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.549 0.483 25125 3668 1 6 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.294 1.105 25125 3669 1 6 . 1 1 42 42 ALA H H 42 7.604 7.604 7.580 0.024 25125 3670 1 6 . 1 1 43 43 LEU N N 43 119.131 119.131 118.635 0.496 25125 3671 1 6 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.950 1.256 25125 3672 1 6 . 1 1 43 43 LEU C C 43 177.421 177.421 178.483 -1.062 25125 3673 1 6 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.462 -1.917 25125 3674 1 6 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.027 1.577 25125 3675 1 6 . 1 1 43 43 LEU H H 43 8.288 8.288 7.959 0.329 25125 3676 1 6 . 1 1 44 44 ALA N N 44 119.065 119.065 119.553 -0.488 25125 3677 1 6 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.165 0.064 25125 3678 1 6 . 1 1 44 44 ALA C C 44 178.686 178.686 178.631 0.055 25125 3679 1 6 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.060 0.178 25125 3680 1 6 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.311 0.205 25125 3681 1 6 . 1 1 44 44 ALA H H 44 7.302 7.302 7.874 -0.572 25125 3682 1 6 . 1 1 45 45 SER N N 45 108.656 108.656 114.903 -6.247 25125 3683 1 6 . 1 1 45 45 SER HA H 45 4.742 4.742 4.322 0.420 25125 3684 1 6 . 1 1 45 45 SER C C 45 173.296 173.296 176.493 -3.197 25125 3685 1 6 . 1 1 45 45 SER CA C 45 58.656 58.656 60.632 -1.976 25125 3686 1 6 . 1 1 45 45 SER CB C 45 65.407 65.407 63.827 1.580 25125 3687 1 6 . 1 1 45 45 SER H H 45 7.728 7.728 8.067 -0.339 25125 3688 1 6 . 1 1 46 46 LYS N N 46 123.016 123.016 117.138 5.878 25125 3689 1 6 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.556 0.030 25125 3690 1 6 . 1 1 46 46 LYS C C 46 172.719 172.719 175.509 -2.790 25125 3691 1 6 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.642 -1.130 25125 3692 1 6 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.810 2.415 25125 3693 1 6 . 1 1 46 46 LYS H H 46 8.101 8.101 7.963 0.138 25125 3694 1 6 . 1 1 47 47 THR N N 47 111.780 111.780 113.097 -1.317 25125 3695 1 6 . 1 1 47 47 THR HA H 47 4.282 4.282 3.880 0.402 25125 3696 1 6 . 1 1 47 47 THR CA C 47 57.806 57.806 61.945 -4.139 25125 3697 1 6 . 1 1 47 47 THR CB C 47 70.594 70.594 68.053 2.541 25125 3698 1 6 . 1 1 47 47 THR H H 47 7.677 7.677 7.580 0.097 25125 3699 1 6 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.912 -0.007 25125 3700 1 6 . 1 1 48 48 PRO C C 48 172.966 172.966 175.899 -2.933 25125 3701 1 6 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.810 -0.945 25125 3702 1 6 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.450 -1.173 25125 3703 1 6 . 1 1 49 49 ASP N N 49 115.035 115.035 120.134 -5.099 25125 3704 1 6 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.516 -0.072 25125 3705 1 6 . 1 1 49 49 ASP C C 49 175.634 175.634 175.296 0.338 25125 3706 1 6 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.936 1.511 25125 3707 1 6 . 1 1 49 49 ASP CB C 49 42.512 42.512 41.874 0.638 25125 3708 1 6 . 1 1 49 49 ASP H H 49 8.502 8.502 8.199 0.303 25125 3709 1 6 . 1 1 50 50 VAL N N 50 112.082 112.082 115.414 -3.332 25125 3710 1 6 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.503 -0.223 25125 3711 1 6 . 1 1 50 50 VAL C C 50 171.454 171.454 172.912 -1.458 25125 3712 1 6 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.093 -0.531 25125 3713 1 6 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.010 0.626 25125 3714 1 6 . 1 1 50 50 VAL H H 50 7.173 7.173 7.119 0.054 25125 3715 1 6 . 1 1 51 51 LEU N N 51 128.247 128.247 125.902 2.345 25125 3716 1 6 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.174 0.145 25125 3717 1 6 . 1 1 51 51 LEU C C 51 173.104 173.104 174.845 -1.741 25125 3718 1 6 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.344 -0.127 25125 3719 1 6 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.411 0.095 25125 3720 1 6 . 1 1 51 51 LEU H H 51 8.059 8.059 7.982 0.077 25125 3721 1 6 . 1 1 52 52 LEU N N 52 128.407 128.407 122.864 5.543 25125 3722 1 6 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.032 0.469 25125 3723 1 6 . 1 1 52 52 LEU C C 52 175.414 175.414 175.832 -0.418 25125 3724 1 6 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.300 0.023 25125 3725 1 6 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.064 1.457 25125 3726 1 6 . 1 1 52 52 LEU H H 52 9.242 9.242 8.612 0.630 25125 3727 1 6 . 1 1 53 53 SER N N 53 114.946 114.946 118.068 -3.122 25125 3728 1 6 . 1 1 53 53 SER HA H 53 5.595 5.595 4.456 1.139 25125 3729 1 6 . 1 1 53 53 SER C C 53 174.644 174.644 173.942 0.702 25125 3730 1 6 . 1 1 53 53 SER CA C 53 55.954 55.954 59.252 -3.298 25125 3731 1 6 . 1 1 53 53 SER CB C 53 66.473 66.473 64.852 1.621 25125 3732 1 6 . 1 1 53 53 SER H H 53 8.695 8.695 7.864 0.831 25125 3733 1 6 . 1 1 54 54 ASP N N 54 128.341 128.341 125.964 2.377 25125 3734 1 6 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.987 0.338 25125 3735 1 6 . 1 1 54 54 ASP C C 54 176.816 176.816 175.804 1.012 25125 3736 1 6 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.085 1.408 25125 3737 1 6 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.606 -0.278 25125 3738 1 6 . 1 1 54 54 ASP H H 54 7.886 7.886 8.262 -0.376 25125 3739 1 6 . 1 1 55 55 ILE N N 55 121.229 121.229 118.957 2.272 25125 3740 1 6 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.791 0.394 25125 3741 1 6 . 1 1 55 55 ILE C C 55 175.084 175.084 174.259 0.825 25125 3742 1 6 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.118 -0.576 25125 3743 1 6 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.617 3.412 25125 3744 1 6 . 1 1 55 55 ILE H H 55 8.722 8.722 7.444 1.278 25125 3745 1 6 . 1 1 56 56 ARG N N 56 124.188 124.188 120.491 3.697 25125 3746 1 6 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.642 -0.137 25125 3747 1 6 . 1 1 56 56 ARG C C 56 175.661 175.661 174.996 0.665 25125 3748 1 6 . 1 1 56 56 ARG CA C 56 55.441 55.441 54.666 0.776 25125 3749 1 6 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.668 -0.305 25125 3750 1 6 . 1 1 56 56 ARG H H 56 8.499 8.499 8.678 -0.179 25125 3751 1 6 . 1 1 57 57 MET N N 57 122.581 122.581 120.018 2.563 25125 3752 1 6 . 1 1 57 57 MET HA H 57 4.821 4.821 5.020 -0.199 25125 3753 1 6 . 1 1 57 57 MET CA C 57 53.132 53.132 52.307 0.825 25125 3754 1 6 . 1 1 57 57 MET CB C 57 33.445 33.445 33.582 -0.137 25125 3755 1 6 . 1 1 57 57 MET H H 57 7.956 7.956 7.899 0.057 25125 3756 1 6 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.306 0.087 25125 3757 1 6 . 1 1 58 58 PRO C C 58 177.806 177.806 177.715 0.091 25125 3758 1 6 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.845 -1.346 25125 3759 1 6 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.718 0.089 25125 3760 1 6 . 1 1 59 59 GLY N N 59 111.082 111.082 108.953 2.129 25125 3761 1 6 . 1 1 59 59 GLY C C 59 173.626 173.626 174.245 -0.619 25125 3762 1 6 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.410 0.180 25125 3763 1 6 . 1 1 59 59 GLY H H 59 8.653 8.653 8.440 0.213 25125 3764 1 6 . 1 1 60 60 MET N N 60 120.052 120.052 119.662 0.390 25125 3765 1 6 . 1 1 60 60 MET HA H 60 4.525 4.525 4.510 0.015 25125 3766 1 6 . 1 1 60 60 MET C C 60 173.956 173.956 175.301 -1.345 25125 3767 1 6 . 1 1 60 60 MET CA C 60 55.047 55.047 55.902 -0.855 25125 3768 1 6 . 1 1 60 60 MET CB C 60 34.506 34.506 33.834 0.672 25125 3769 1 6 . 1 1 60 60 MET H H 60 7.968 7.968 7.771 0.197 25125 3770 1 6 . 1 1 61 61 ASP N N 61 121.306 121.306 120.595 0.711 25125 3771 1 6 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.725 -0.021 25125 3772 1 6 . 1 1 61 61 ASP C C 61 176.761 176.761 177.555 -0.794 25125 3773 1 6 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.917 -0.188 25125 3774 1 6 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.754 0.315 25125 3775 1 6 . 1 1 61 61 ASP H H 61 8.379 8.379 8.579 -0.200 25125 3776 1 6 . 1 1 62 62 GLY N N 62 110.874 110.874 108.436 2.438 25125 3777 1 6 . 1 1 62 62 GLY C C 62 175.194 175.194 175.748 -0.554 25125 3778 1 6 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.755 0.346 25125 3779 1 6 . 1 1 62 62 GLY H H 62 8.707 8.707 8.362 0.345 25125 3780 1 6 . 1 1 63 63 LEU N N 63 121.299 121.299 121.091 0.208 25125 3781 1 6 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.425 -0.248 25125 3782 1 6 . 1 1 63 63 LEU C C 63 178.356 178.356 178.267 0.089 25125 3783 1 6 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.222 0.656 25125 3784 1 6 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.374 0.864 25125 3785 1 6 . 1 1 63 63 LEU H H 63 8.045 8.045 7.673 0.372 25125 3786 1 6 . 1 1 64 64 ALA N N 64 122.741 122.741 124.086 -1.345 25125 3787 1 6 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.017 0.045 25125 3788 1 6 . 1 1 64 64 ALA C C 64 180.556 180.556 178.813 1.743 25125 3789 1 6 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.087 -0.472 25125 3790 1 6 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.901 0.099 25125 3791 1 6 . 1 1 64 64 ALA H H 64 7.859 7.859 8.217 -0.358 25125 3792 1 6 . 1 1 65 65 LEU N N 65 120.287 120.287 113.751 6.536 25125 3793 1 6 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.407 -0.345 25125 3794 1 6 . 1 1 65 65 LEU C C 65 178.191 178.191 178.520 -0.329 25125 3795 1 6 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.298 1.721 25125 3796 1 6 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.111 -0.873 25125 3797 1 6 . 1 1 65 65 LEU H H 65 8.022 8.022 7.771 0.251 25125 3798 1 6 . 1 1 66 66 LEU N N 66 118.738 118.738 120.507 -1.769 25125 3799 1 6 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.198 -0.340 25125 3800 1 6 . 1 1 66 66 LEU C C 66 178.631 178.631 178.899 -0.268 25125 3801 1 6 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.324 2.022 25125 3802 1 6 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.724 0.514 25125 3803 1 6 . 1 1 66 66 LEU H H 66 8.101 8.101 7.649 0.452 25125 3804 1 6 . 1 1 67 67 LYS N N 67 117.842 117.842 118.513 -0.671 25125 3805 1 6 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.121 -0.139 25125 3806 1 6 . 1 1 67 67 LYS C C 67 179.263 179.263 178.104 1.159 25125 3807 1 6 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.915 0.882 25125 3808 1 6 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.299 -0.092 25125 3809 1 6 . 1 1 67 67 LYS H H 67 8.010 8.010 8.242 -0.232 25125 3810 1 6 . 1 1 68 68 GLN N N 68 118.875 118.875 117.856 1.019 25125 3811 1 6 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.237 -0.181 25125 3812 1 6 . 1 1 68 68 GLN C C 68 179.071 179.071 177.497 1.574 25125 3813 1 6 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.116 0.957 25125 3814 1 6 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.916 -0.305 25125 3815 1 6 . 1 1 68 68 GLN H H 68 7.809 7.809 7.609 0.200 25125 3816 1 6 . 1 1 69 69 ILE N N 69 120.377 120.377 121.870 -1.493 25125 3817 1 6 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.937 -0.407 25125 3818 1 6 . 1 1 69 69 ILE C C 69 177.421 177.421 178.346 -0.925 25125 3819 1 6 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.969 0.909 25125 3820 1 6 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.682 -0.098 25125 3821 1 6 . 1 1 69 69 ILE H H 69 8.481 8.481 7.559 0.922 25125 3822 1 6 . 1 1 70 70 LYS N N 70 117.873 117.873 118.298 -0.425 25125 3823 1 6 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.100 -0.140 25125 3824 1 6 . 1 1 70 70 LYS C C 70 178.053 178.053 178.280 -0.227 25125 3825 1 6 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.983 -1.895 25125 3826 1 6 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.248 -1.036 25125 3827 1 6 . 1 1 70 70 LYS H H 70 8.220 8.220 8.003 0.217 25125 3828 1 6 . 1 1 71 71 GLN N N 71 116.315 116.315 118.756 -2.441 25125 3829 1 6 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.160 -0.168 25125 3830 1 6 . 1 1 71 71 GLN C C 71 177.366 177.366 177.703 -0.337 25125 3831 1 6 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.157 0.033 25125 3832 1 6 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.970 -0.305 25125 3833 1 6 . 1 1 71 71 GLN H H 71 7.601 7.601 7.564 0.037 25125 3834 1 6 . 1 1 72 72 ARG N N 72 116.530 116.530 117.405 -0.875 25125 3835 1 6 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.989 0.041 25125 3836 1 6 . 1 1 72 72 ARG C C 72 175.826 175.826 176.327 -0.501 25125 3837 1 6 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.289 -0.067 25125 3838 1 6 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.080 0.722 25125 3839 1 6 . 1 1 72 72 ARG H H 72 7.301 7.301 8.131 -0.830 25125 3840 1 6 . 1 1 73 73 HIS N N 73 116.755 116.755 116.365 0.390 25125 3841 1 6 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.865 0.095 25125 3842 1 6 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.992 0.226 25125 3843 1 6 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.169 0.393 25125 3844 1 6 . 1 1 73 73 HIS H H 73 8.331 8.331 7.682 0.649 25125 3845 1 6 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.432 0.067 25125 3846 1 6 . 1 1 74 74 PRO C C 74 178.466 178.466 177.468 0.998 25125 3847 1 6 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.960 0.153 25125 3848 1 6 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.208 -0.113 25125 3849 1 6 . 1 1 75 75 MET N N 75 114.814 114.814 113.232 1.582 25125 3850 1 6 . 1 1 75 75 MET HA H 75 4.567 4.567 4.581 -0.014 25125 3851 1 6 . 1 1 75 75 MET C C 75 176.046 176.046 175.503 0.543 25125 3852 1 6 . 1 1 75 75 MET CA C 75 54.266 54.266 55.489 -1.224 25125 3853 1 6 . 1 1 75 75 MET CB C 75 31.288 31.288 31.939 -0.651 25125 3854 1 6 . 1 1 75 75 MET H H 75 8.623 8.623 7.708 0.915 25125 3855 1 6 . 1 1 76 76 LEU N N 76 125.533 125.533 124.001 1.532 25125 3856 1 6 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.727 -0.422 25125 3857 1 6 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.063 2.049 25125 3858 1 6 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.284 0.401 25125 3859 1 6 . 1 1 76 76 LEU H H 76 7.337 7.337 7.182 0.155 25125 3860 1 6 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.519 -0.073 25125 3861 1 6 . 1 1 77 77 PRO C C 77 174.974 174.974 175.310 -0.336 25125 3862 1 6 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.446 0.381 25125 3863 1 6 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.075 -0.353 25125 3864 1 6 . 1 1 78 78 VAL N N 78 123.779 123.779 122.659 1.120 25125 3865 1 6 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.473 0.551 25125 3866 1 6 . 1 1 78 78 VAL C C 78 175.441 175.441 175.316 0.125 25125 3867 1 6 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.917 -0.724 25125 3868 1 6 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.334 -1.040 25125 3869 1 6 . 1 1 78 78 VAL H H 78 8.317 8.317 8.250 0.067 25125 3870 1 6 . 1 1 79 79 ILE N N 79 128.334 128.334 121.674 6.660 25125 3871 1 6 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.792 -0.311 25125 3872 1 6 . 1 1 79 79 ILE C C 79 174.479 174.479 174.585 -0.106 25125 3873 1 6 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.898 -0.376 25125 3874 1 6 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.959 -1.996 25125 3875 1 6 . 1 1 79 79 ILE H H 79 9.292 9.292 8.871 0.421 25125 3876 1 6 . 1 1 80 80 ILE N N 80 127.023 127.023 123.286 3.737 25125 3877 1 6 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.561 0.298 25125 3878 1 6 . 1 1 80 80 ILE C C 80 175.029 175.029 175.095 -0.066 25125 3879 1 6 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.385 -1.228 25125 3880 1 6 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.864 -1.920 25125 3881 1 6 . 1 1 80 80 ILE H H 80 7.938 7.938 8.729 -0.791 25125 3882 1 6 . 1 1 81 81 MET N N 81 127.255 127.255 124.763 2.492 25125 3883 1 6 . 1 1 81 81 MET HA H 81 5.521 5.521 5.605 -0.084 25125 3884 1 6 . 1 1 81 81 MET C C 81 174.534 174.534 175.723 -1.189 25125 3885 1 6 . 1 1 81 81 MET CA C 81 53.513 53.513 54.796 -1.283 25125 3886 1 6 . 1 1 81 81 MET CB C 81 35.483 35.483 35.651 -0.168 25125 3887 1 6 . 1 1 81 81 MET H H 81 8.801 8.801 8.884 -0.083 25125 3888 1 6 . 1 1 82 82 THR N N 82 112.857 112.857 117.412 -4.555 25125 3889 1 6 . 1 1 82 82 THR HA H 82 4.914 4.914 4.477 0.437 25125 3890 1 6 . 1 1 82 82 THR C C 82 172.581 172.581 173.495 -0.914 25125 3891 1 6 . 1 1 82 82 THR CA C 82 59.561 59.561 63.434 -3.873 25125 3892 1 6 . 1 1 82 82 THR CB C 82 69.989 69.989 69.674 0.315 25125 3893 1 6 . 1 1 82 82 THR H H 82 7.623 7.623 8.387 -0.764 25125 3894 1 6 . 1 1 83 83 ALA N N 83 129.541 129.541 126.085 3.456 25125 3895 1 6 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.015 0.693 25125 3896 1 6 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.828 -1.290 25125 3897 1 6 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.846 2.301 25125 3898 1 6 . 1 1 83 83 ALA H H 83 9.149 9.149 8.324 0.825 25125 3899 1 6 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.553 -0.281 25125 3900 1 6 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.953 3.747 25125 3901 1 6 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.962 -0.944 25125 3902 1 6 . 1 1 85 85 SER N N 85 112.633 112.633 114.038 -1.405 25125 3903 1 6 . 1 1 85 85 SER HA H 85 4.198 4.198 4.450 -0.252 25125 3904 1 6 . 1 1 85 85 SER C C 85 174.506 174.506 172.982 1.524 25125 3905 1 6 . 1 1 85 85 SER CA C 85 59.823 59.823 58.768 1.055 25125 3906 1 6 . 1 1 85 85 SER CB C 85 62.693 62.693 63.593 -0.900 25125 3907 1 6 . 1 1 85 85 SER H H 85 8.224 8.224 7.224 1.000 25125 3908 1 6 . 1 1 86 86 ASP N N 86 120.886 120.886 120.333 0.553 25125 3909 1 6 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.643 0.293 25125 3910 1 6 . 1 1 86 86 ASP C C 86 175.881 175.881 176.493 -0.612 25125 3911 1 6 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.852 -0.918 25125 3912 1 6 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.721 0.282 25125 3913 1 6 . 1 1 86 86 ASP H H 86 7.608 7.608 8.081 -0.473 25125 3914 1 6 . 1 1 87 87 LEU N N 87 121.913 121.913 121.224 0.689 25125 3915 1 6 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.574 0.345 25125 3916 1 6 . 1 1 87 87 LEU C C 87 177.586 177.586 177.980 -0.394 25125 3917 1 6 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.721 -0.884 25125 3918 1 6 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.343 0.972 25125 3919 1 6 . 1 1 87 87 LEU H H 87 7.498 7.498 8.138 -0.640 25125 3920 1 6 . 1 1 88 88 ASP N N 88 117.621 117.621 117.484 0.137 25125 3921 1 6 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.221 0.051 25125 3922 1 6 . 1 1 88 88 ASP C C 88 178.246 178.246 177.440 0.806 25125 3923 1 6 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.330 -0.519 25125 3924 1 6 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.270 -0.137 25125 3925 1 6 . 1 1 88 88 ASP H H 88 8.322 8.322 8.518 -0.196 25125 3926 1 6 . 1 1 89 89 ALA N N 89 122.874 122.874 121.258 1.616 25125 3927 1 6 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.333 -0.239 25125 3928 1 6 . 1 1 89 89 ALA C C 89 179.346 179.346 179.348 -0.002 25125 3929 1 6 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.358 -0.206 25125 3930 1 6 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.755 -0.494 25125 3931 1 6 . 1 1 89 89 ALA H H 89 7.838 7.838 7.583 0.255 25125 3932 1 6 . 1 1 90 90 ALA N N 90 121.673 121.673 122.182 -0.509 25125 3933 1 6 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.012 -0.079 25125 3934 1 6 . 1 1 90 90 ALA C C 90 178.686 178.686 179.837 -1.151 25125 3935 1 6 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.016 -0.353 25125 3936 1 6 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.992 0.390 25125 3937 1 6 . 1 1 90 90 ALA H H 90 7.896 7.896 8.319 -0.423 25125 3938 1 6 . 1 1 91 91 VAL N N 91 117.749 117.749 116.984 0.765 25125 3939 1 6 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.972 -0.360 25125 3940 1 6 . 1 1 91 91 VAL C C 91 178.411 178.411 177.328 1.083 25125 3941 1 6 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.481 -1.300 25125 3942 1 6 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.997 -0.360 25125 3943 1 6 . 1 1 91 91 VAL H H 91 8.098 8.098 8.491 -0.393 25125 3944 1 6 . 1 1 92 92 SER N N 92 114.942 114.942 113.451 1.491 25125 3945 1 6 . 1 1 92 92 SER HA H 92 4.231 4.231 4.431 -0.200 25125 3946 1 6 . 1 1 92 92 SER C C 92 175.826 175.826 175.334 0.492 25125 3947 1 6 . 1 1 92 92 SER CA C 92 60.649 60.649 60.142 0.506 25125 3948 1 6 . 1 1 92 92 SER CB C 92 63.063 63.063 64.507 -1.444 25125 3949 1 6 . 1 1 92 92 SER H H 92 7.825 7.825 7.837 -0.012 25125 3950 1 6 . 1 1 93 93 ALA N N 93 122.580 122.580 122.726 -0.146 25125 3951 1 6 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125 3952 1 6 . 1 1 93 93 ALA C C 93 178.906 178.906 179.640 -0.734 25125 3953 1 6 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.518 -0.201 25125 3954 1 6 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.683 -0.386 25125 3955 1 6 . 1 1 93 93 ALA H H 93 7.861 7.861 8.379 -0.518 25125 3956 1 6 . 1 1 94 94 TYR N N 94 118.447 118.447 120.704 -2.257 25125 3957 1 6 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.289 0.203 25125 3958 1 6 . 1 1 94 94 TYR C C 94 177.393 177.393 177.491 -0.098 25125 3959 1 6 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.989 -0.738 25125 3960 1 6 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.394 0.040 25125 3961 1 6 . 1 1 94 94 TYR H H 94 8.150 8.150 7.904 0.246 25125 3962 1 6 . 1 1 95 95 GLN N N 95 119.787 119.787 116.121 3.666 25125 3963 1 6 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.068 -0.025 25125 3964 1 6 . 1 1 95 95 GLN C C 95 176.981 176.981 176.719 0.262 25125 3965 1 6 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.999 0.467 25125 3966 1 6 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.743 0.346 25125 3967 1 6 . 1 1 95 95 GLN H H 95 8.271 8.271 8.028 0.243 25125 3968 1 6 . 1 1 96 96 GLN N N 96 117.878 117.878 118.058 -0.180 25125 3969 1 6 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.232 0.113 25125 3970 1 6 . 1 1 96 96 GLN C C 96 175.854 175.854 176.582 -0.728 25125 3971 1 6 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.373 -0.202 25125 3972 1 6 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.303 0.172 25125 3973 1 6 . 1 1 96 96 GLN H H 96 7.944 7.944 7.811 0.133 25125 3974 1 6 . 1 1 97 97 GLY N N 97 106.670 106.670 105.501 1.169 25125 3975 1 6 . 1 1 97 97 GLY C C 97 174.231 174.231 173.138 1.093 25125 3976 1 6 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.776 0.710 25125 3977 1 6 . 1 1 97 97 GLY H H 97 7.949 7.949 7.785 0.164 25125 3978 1 6 . 1 1 98 98 ALA N N 98 122.898 122.898 120.913 1.985 25125 3979 1 6 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.387 -0.012 25125 3980 1 6 . 1 1 98 98 ALA C C 98 175.991 175.991 175.706 0.285 25125 3981 1 6 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.198 1.970 25125 3982 1 6 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.227 -1.258 25125 3983 1 6 . 1 1 98 98 ALA H H 98 7.808 7.808 7.180 0.628 25125 3984 1 6 . 1 1 99 99 PHE N N 99 123.484 123.484 118.668 4.816 25125 3985 1 6 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.489 -0.139 25125 3986 1 6 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.458 1.998 25125 3987 1 6 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.360 -0.920 25125 3988 1 6 . 1 1 99 99 PHE H H 99 7.704 7.704 8.230 -0.526 25125 3989 1 6 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.935 0.569 25125 3990 1 6 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.102 -1.620 25125 3991 1 6 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.979 3.221 25125 3992 1 6 . 1 1 101 101 TYR N N 101 118.148 118.148 121.278 -3.130 25125 3993 1 6 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.548 0.900 25125 3994 1 6 . 1 1 101 101 TYR C C 101 173.159 173.159 174.712 -1.553 25125 3995 1 6 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.001 -0.014 25125 3996 1 6 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.730 3.168 25125 3997 1 6 . 1 1 101 101 TYR H H 101 9.546 9.546 7.401 2.145 25125 3998 1 6 . 1 1 102 102 LEU N N 102 124.100 124.100 121.222 2.878 25125 3999 1 6 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.077 -0.357 25125 4000 1 6 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.130 -0.631 25125 4001 1 6 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.672 -0.611 25125 4002 1 6 . 1 1 102 102 LEU H H 102 8.901 8.901 8.707 0.194 25125 4003 1 6 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.681 0.212 25125 4004 1 6 . 1 1 103 103 PRO C C 103 175.524 175.524 175.365 0.159 25125 4005 1 6 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.424 -0.539 25125 4006 1 6 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.221 -0.415 25125 4007 1 6 . 1 1 104 104 LYS N N 104 118.848 118.848 121.376 -2.528 25125 4008 1 6 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.849 -0.336 25125 4009 1 6 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.703 -0.485 25125 4010 1 6 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.026 1.718 25125 4011 1 6 . 1 1 104 104 LYS H H 104 8.279 8.279 8.081 0.198 25125 4012 1 6 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.555 -0.256 25125 4013 1 6 . 1 1 105 105 PRO C C 105 175.001 175.001 175.347 -0.346 25125 4014 1 6 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.519 -0.125 25125 4015 1 6 . 1 1 105 105 PRO CB C 105 34.095 34.095 31.930 2.165 25125 4016 1 6 . 1 1 106 106 PHE N N 106 116.607 116.607 114.421 2.186 25125 4017 1 6 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.727 0.443 25125 4018 1 6 . 1 1 106 106 PHE C C 106 175.221 175.221 173.876 1.345 25125 4019 1 6 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.906 -2.471 25125 4020 1 6 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.434 -0.035 25125 4021 1 6 . 1 1 106 106 PHE H H 106 7.457 7.457 7.512 -0.055 25125 4022 1 6 . 1 1 107 107 ASP N N 107 122.214 122.214 122.638 -0.424 25125 4023 1 6 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.054 -0.222 25125 4024 1 6 . 1 1 107 107 ASP C C 107 177.778 177.778 176.800 0.978 25125 4025 1 6 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.690 -0.448 25125 4026 1 6 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.650 0.947 25125 4027 1 6 . 1 1 107 107 ASP H H 107 9.022 9.022 8.704 0.318 25125 4028 1 6 . 1 1 108 108 ILE N N 108 127.706 127.706 124.924 2.782 25125 4029 1 6 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.749 0.216 25125 4030 1 6 . 1 1 108 108 ILE C C 108 176.046 176.046 177.041 -0.995 25125 4031 1 6 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.003 -2.014 25125 4032 1 6 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.961 -0.207 25125 4033 1 6 . 1 1 108 108 ILE H H 108 8.860 8.860 8.895 -0.035 25125 4034 1 6 . 1 1 109 109 ASP N N 109 120.058 120.058 118.729 1.329 25125 4035 1 6 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.378 0.010 25125 4036 1 6 . 1 1 109 109 ASP C C 109 179.786 179.786 179.099 0.687 25125 4037 1 6 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.730 -0.236 25125 4038 1 6 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.839 0.215 25125 4039 1 6 . 1 1 109 109 ASP H H 109 8.079 8.079 8.680 -0.601 25125 4040 1 6 . 1 1 110 110 GLU N N 110 121.559 121.559 119.952 1.607 25125 4041 1 6 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.238 -0.170 25125 4042 1 6 . 1 1 110 110 GLU C C 110 179.043 179.043 178.382 0.661 25125 4043 1 6 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.481 0.345 25125 4044 1 6 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.806 -0.463 25125 4045 1 6 . 1 1 110 110 GLU H H 110 8.012 8.012 8.022 -0.010 25125 4046 1 6 . 1 1 111 111 ALA N N 111 122.267 122.267 123.460 -1.193 25125 4047 1 6 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.997 -0.243 25125 4048 1 6 . 1 1 111 111 ALA C C 111 178.493 178.493 179.465 -0.972 25125 4049 1 6 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.297 -0.124 25125 4050 1 6 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.162 0.220 25125 4051 1 6 . 1 1 111 111 ALA H H 111 7.897 7.897 8.382 -0.485 25125 4052 1 6 . 1 1 112 112 VAL N N 112 116.527 116.527 117.753 -1.226 25125 4053 1 6 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.634 -0.467 25125 4054 1 6 . 1 1 112 112 VAL C C 112 177.201 177.201 178.135 -0.934 25125 4055 1 6 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.489 0.656 25125 4056 1 6 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.082 0.470 25125 4057 1 6 . 1 1 112 112 VAL H H 112 8.018 8.018 8.432 -0.414 25125 4058 1 6 . 1 1 113 113 ALA N N 113 119.895 119.895 121.644 -1.749 25125 4059 1 6 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.190 -0.052 25125 4060 1 6 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.551 0.281 25125 4061 1 6 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.566 -0.694 25125 4062 1 6 . 1 1 113 113 ALA H H 113 7.673 7.673 7.393 0.280 25125 4063 1 6 . 1 1 114 114 LEU N N 114 120.650 120.650 120.343 0.307 25125 4064 1 6 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.091 -0.008 25125 4065 1 6 . 1 1 114 114 LEU C C 114 178.466 178.466 178.334 0.132 25125 4066 1 6 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.743 0.277 25125 4067 1 6 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.001 -0.168 25125 4068 1 6 . 1 1 114 114 LEU H H 114 7.840 7.840 7.850 -0.010 25125 4069 1 6 . 1 1 115 115 VAL N N 115 119.480 119.480 117.752 1.728 25125 4070 1 6 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.560 -0.348 25125 4071 1 6 . 1 1 115 115 VAL C C 115 177.448 177.448 176.883 0.565 25125 4072 1 6 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.500 1.701 25125 4073 1 6 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.573 -0.901 25125 4074 1 6 . 1 1 115 115 VAL H H 115 7.824 7.824 7.759 0.065 25125 4075 1 6 . 1 1 116 116 GLU N N 116 117.473 117.473 119.560 -2.087 25125 4076 1 6 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.972 -0.183 25125 4077 1 6 . 1 1 116 116 GLU C C 116 179.566 179.566 179.139 0.427 25125 4078 1 6 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.646 0.284 25125 4079 1 6 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.075 0.022 25125 4080 1 6 . 1 1 116 116 GLU H H 116 8.465 8.465 7.610 0.855 25125 4081 1 6 . 1 1 117 117 ARG N N 117 120.128 120.128 118.645 1.483 25125 4082 1 6 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125 4083 1 6 . 1 1 117 117 ARG C C 117 178.438 178.438 178.296 0.142 25125 4084 1 6 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.090 0.188 25125 4085 1 6 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.780 0.497 25125 4086 1 6 . 1 1 117 117 ARG H H 117 8.012 8.012 7.698 0.314 25125 4087 1 6 . 1 1 118 118 ALA N N 118 122.270 122.270 121.430 0.840 25125 4088 1 6 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.849 -0.393 25125 4089 1 6 . 1 1 118 118 ALA C C 118 178.741 178.741 179.110 -0.369 25125 4090 1 6 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.366 0.212 25125 4091 1 6 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.149 0.009 25125 4092 1 6 . 1 1 118 118 ALA H H 118 7.958 7.958 7.243 0.715 25125 4093 1 6 . 1 1 119 119 ILE N N 119 115.269 115.269 117.733 -2.464 25125 4094 1 6 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.965 -0.237 25125 4095 1 6 . 1 1 119 119 ILE C C 119 177.366 177.366 178.658 -1.292 25125 4096 1 6 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.910 -1.241 25125 4097 1 6 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.039 -0.241 25125 4098 1 6 . 1 1 119 119 ILE H H 119 7.753 7.753 7.629 0.124 25125 4099 1 6 . 1 1 120 120 SER N N 120 115.135 115.135 114.844 0.291 25125 4100 1 6 . 1 1 120 120 SER HA H 120 4.275 4.275 4.025 0.250 25125 4101 1 6 . 1 1 120 120 SER C C 120 175.084 175.084 176.547 -1.463 25125 4102 1 6 . 1 1 120 120 SER CA C 120 59.816 59.816 61.010 -1.194 25125 4103 1 6 . 1 1 120 120 SER CB C 120 63.380 63.380 62.827 0.553 25125 4104 1 6 . 1 1 120 120 SER H H 120 7.816 7.816 8.114 -0.298 25125 4105 1 6 . 1 1 121 121 HIS N N 121 119.908 119.908 120.177 -0.269 25125 4106 1 6 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.169 0.253 25125 4107 1 6 . 1 1 121 121 HIS C C 121 175.029 175.029 175.550 -0.521 25125 4108 1 6 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.143 -0.907 25125 4109 1 6 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.729 -0.301 25125 4110 1 6 . 1 1 121 121 HIS H H 121 7.910 7.910 7.304 0.606 25125 4111 1 6 . 1 1 122 122 TYR N N 122 118.880 118.880 116.550 2.330 25125 4112 1 6 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.734 -0.308 25125 4113 1 6 . 1 1 122 122 TYR C C 122 175.276 175.276 174.901 0.375 25125 4114 1 6 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.618 0.831 25125 4115 1 6 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.212 0.393 25125 4116 1 6 . 1 1 122 122 TYR H H 122 7.766 7.766 7.830 -0.064 25125 4117 1 6 . 1 1 123 123 GLN N N 123 121.479 121.479 117.389 4.090 25125 4118 1 6 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.332 -0.062 25125 4119 1 6 . 1 1 123 123 GLN C C 123 174.534 174.534 175.296 -0.762 25125 4120 1 6 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.872 -0.360 25125 4121 1 6 . 1 1 123 123 GLN CB C 123 29.768 29.768 31.001 -1.233 25125 4122 1 6 . 1 1 123 123 GLN H H 123 7.878 7.878 7.953 -0.075 25125 4123 1 7 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.132 0.301 25125 4124 1 7 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.703 -1.139 25125 4125 1 7 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.073 2.527 25125 4126 1 7 . 1 1 3 3 ARG N N 3 121.252 121.252 117.613 3.639 25125 4127 1 7 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.335 0.030 25125 4128 1 7 . 1 1 3 3 ARG C C 3 175.634 175.634 175.208 0.426 25125 4129 1 7 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.059 -0.069 25125 4130 1 7 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.410 0.887 25125 4131 1 7 . 1 1 3 3 ARG H H 3 8.429 8.429 8.058 0.371 25125 4132 1 7 . 1 1 4 4 GLY N N 4 107.663 107.663 109.076 -1.413 25125 4133 1 7 . 1 1 4 4 GLY C C 4 171.041 171.041 173.138 -2.097 25125 4134 1 7 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.710 0.606 25125 4135 1 7 . 1 1 4 4 GLY H H 4 7.963 7.963 7.794 0.169 25125 4136 1 7 . 1 1 5 5 ILE N N 5 122.603 122.603 124.036 -1.433 25125 4137 1 7 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.023 0.676 25125 4138 1 7 . 1 1 5 5 ILE C C 5 175.359 175.359 174.961 0.398 25125 4139 1 7 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.498 -0.888 25125 4140 1 7 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.309 0.266 25125 4141 1 7 . 1 1 5 5 ILE H H 5 9.610 9.610 8.103 1.507 25125 4142 1 7 . 1 1 6 6 VAL N N 6 127.905 127.905 125.770 2.135 25125 4143 1 7 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.909 -0.097 25125 4144 1 7 . 1 1 6 6 VAL C C 6 174.204 174.204 175.419 -1.215 25125 4145 1 7 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.852 -1.293 25125 4146 1 7 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.821 1.705 25125 4147 1 7 . 1 1 6 6 VAL H H 6 9.090 9.090 7.986 1.104 25125 4148 1 7 . 1 1 7 7 TRP N N 7 127.467 127.467 128.854 -1.387 25125 4149 1 7 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.260 1.194 25125 4150 1 7 . 1 1 7 7 TRP C C 7 175.056 175.056 175.317 -0.261 25125 4151 1 7 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.281 -1.403 25125 4152 1 7 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.867 1.267 25125 4153 1 7 . 1 1 7 7 TRP H H 7 8.497 8.497 8.532 -0.035 25125 4154 1 7 . 1 1 8 8 VAL N N 8 122.068 122.068 119.293 2.775 25125 4155 1 7 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.536 0.550 25125 4156 1 7 . 1 1 8 8 VAL C C 8 173.874 173.874 173.906 -0.032 25125 4157 1 7 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.036 -0.550 25125 4158 1 7 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.786 -0.071 25125 4159 1 7 . 1 1 8 8 VAL H H 8 8.583 8.583 9.340 -0.757 25125 4160 1 7 . 1 1 9 9 VAL N N 9 127.733 127.733 123.997 3.736 25125 4161 1 7 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.649 0.312 25125 4162 1 7 . 1 1 9 9 VAL C C 9 173.131 173.131 173.554 -0.423 25125 4163 1 7 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.254 -0.579 25125 4164 1 7 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.301 -1.391 25125 4165 1 7 . 1 1 9 9 VAL H H 9 9.107 9.107 8.457 0.650 25125 4166 1 7 . 1 1 10 10 ASP N N 10 124.306 124.306 126.252 -1.946 25125 4167 1 7 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.072 -0.503 25125 4168 1 7 . 1 1 10 10 ASP C C 10 175.029 175.029 174.361 0.668 25125 4169 1 7 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.278 1.469 25125 4170 1 7 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.280 0.829 25125 4171 1 7 . 1 1 10 10 ASP H H 10 7.775 7.775 8.084 -0.309 25125 4172 1 7 . 1 1 11 11 ASP N N 11 126.714 126.714 117.524 9.190 25125 4173 1 7 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.816 -0.281 25125 4174 1 7 . 1 1 11 11 ASP C C 11 175.689 175.689 175.326 0.363 25125 4175 1 7 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.846 1.872 25125 4176 1 7 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.529 -0.455 25125 4177 1 7 . 1 1 11 11 ASP H H 11 9.033 9.033 8.553 0.480 25125 4178 1 7 . 1 1 12 12 ASP N N 12 121.877 121.877 118.776 3.101 25125 4179 1 7 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.865 -0.219 25125 4180 1 7 . 1 1 12 12 ASP C C 12 177.036 177.036 176.520 0.516 25125 4181 1 7 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.504 -0.201 25125 4182 1 7 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.396 -2.232 25125 4183 1 7 . 1 1 12 12 ASP H H 12 9.570 9.570 7.913 1.657 25125 4184 1 7 . 1 1 13 13 SER N N 13 123.799 123.799 119.003 4.796 25125 4185 1 7 . 1 1 13 13 SER HA H 13 3.761 3.761 4.256 -0.495 25125 4186 1 7 . 1 1 13 13 SER C C 13 176.156 176.156 175.951 0.205 25125 4187 1 7 . 1 1 13 13 SER CA C 13 61.186 61.186 61.961 -0.775 25125 4188 1 7 . 1 1 13 13 SER CB C 13 62.749 62.749 63.151 -0.402 25125 4189 1 7 . 1 1 13 13 SER H H 13 8.850 8.850 8.808 0.042 25125 4190 1 7 . 1 1 14 14 SER N N 14 119.123 119.123 117.679 1.444 25125 4191 1 7 . 1 1 14 14 SER HA H 14 4.361 4.361 4.364 -0.003 25125 4192 1 7 . 1 1 14 14 SER C C 14 176.404 176.404 176.309 0.095 25125 4193 1 7 . 1 1 14 14 SER CA C 14 61.730 61.730 61.001 0.729 25125 4194 1 7 . 1 1 14 14 SER CB C 14 62.548 62.548 62.696 -0.148 25125 4195 1 7 . 1 1 14 14 SER H H 14 8.531 8.531 8.536 -0.005 25125 4196 1 7 . 1 1 15 15 ILE N N 15 123.637 123.637 121.566 2.071 25125 4197 1 7 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.968 -0.023 25125 4198 1 7 . 1 1 15 15 ILE C C 15 177.861 177.861 177.660 0.201 25125 4199 1 7 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.329 -2.129 25125 4200 1 7 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.066 -1.180 25125 4201 1 7 . 1 1 15 15 ILE H H 15 7.206 7.206 8.021 -0.815 25125 4202 1 7 . 1 1 16 16 ARG N N 16 116.694 116.694 118.688 -1.994 25125 4203 1 7 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.203 -0.480 25125 4204 1 7 . 1 1 16 16 ARG C C 16 177.448 177.448 178.112 -0.664 25125 4205 1 7 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.792 2.781 25125 4206 1 7 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.624 0.823 25125 4207 1 7 . 1 1 16 16 ARG H H 16 7.562 7.562 7.459 0.103 25125 4208 1 7 . 1 1 17 17 TRP N N 17 116.848 116.848 123.364 -6.516 25125 4209 1 7 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.340 0.131 25125 4210 1 7 . 1 1 17 17 TRP CA C 17 60.440 60.440 62.211 -1.770 25125 4211 1 7 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.680 -0.388 25125 4212 1 7 . 1 1 17 17 TRP H H 17 8.005 8.005 8.364 -0.359 25125 4213 1 7 . 1 1 18 18 VAL N N 18 116.964 116.964 115.761 1.203 25125 4214 1 7 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125 4215 1 7 . 1 1 18 18 VAL C C 18 179.181 179.181 177.668 1.513 25125 4216 1 7 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.423 0.285 25125 4217 1 7 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.287 0.350 25125 4218 1 7 . 1 1 18 18 VAL H H 18 8.110 8.110 7.536 0.574 25125 4219 1 7 . 1 1 19 19 LEU N N 19 120.186 120.186 119.000 1.186 25125 4220 1 7 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.223 -0.148 25125 4221 1 7 . 1 1 19 19 LEU C C 19 177.778 177.778 178.802 -1.024 25125 4222 1 7 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.882 0.940 25125 4223 1 7 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.831 -0.050 25125 4224 1 7 . 1 1 19 19 LEU H H 19 8.073 8.073 7.433 0.640 25125 4225 1 7 . 1 1 20 20 GLU N N 20 120.193 120.193 120.717 -0.524 25125 4226 1 7 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.972 -0.031 25125 4227 1 7 . 1 1 20 20 GLU C C 20 178.603 178.603 179.039 -0.436 25125 4228 1 7 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.995 0.615 25125 4229 1 7 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.616 -0.528 25125 4230 1 7 . 1 1 20 20 GLU H H 20 8.387 8.387 8.225 0.162 25125 4231 1 7 . 1 1 21 21 ARG N N 21 116.076 116.076 118.157 -2.081 25125 4232 1 7 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.925 -0.032 25125 4233 1 7 . 1 1 21 21 ARG C C 21 179.676 179.676 178.460 1.216 25125 4234 1 7 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.253 -0.804 25125 4235 1 7 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.713 0.140 25125 4236 1 7 . 1 1 21 21 ARG H H 21 7.602 7.602 8.139 -0.537 25125 4237 1 7 . 1 1 22 22 ALA N N 22 122.405 122.405 122.165 0.240 25125 4238 1 7 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.040 0.057 25125 4239 1 7 . 1 1 22 22 ALA C C 22 180.501 180.501 179.426 1.075 25125 4240 1 7 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.830 -0.252 25125 4241 1 7 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.221 1.011 25125 4242 1 7 . 1 1 22 22 ALA H H 22 7.992 7.992 7.487 0.505 25125 4243 1 7 . 1 1 23 23 LEU N N 23 118.026 118.026 116.848 1.178 25125 4244 1 7 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.229 -0.228 25125 4245 1 7 . 1 1 23 23 LEU C C 23 178.878 178.878 179.140 -0.262 25125 4246 1 7 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.615 1.106 25125 4247 1 7 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.999 -2.344 25125 4248 1 7 . 1 1 23 23 LEU H H 23 8.825 8.825 7.322 1.503 25125 4249 1 7 . 1 1 24 24 ALA N N 24 122.159 122.159 122.533 -0.374 25125 4250 1 7 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.062 0.571 25125 4251 1 7 . 1 1 24 24 ALA C C 24 183.141 183.141 179.037 4.104 25125 4252 1 7 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.537 0.210 25125 4253 1 7 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.698 -0.997 25125 4254 1 7 . 1 1 24 24 ALA H H 24 8.125 8.125 8.259 -0.134 25125 4255 1 7 . 1 1 25 25 GLY N N 25 106.891 106.891 105.317 1.574 25125 4256 1 7 . 1 1 25 25 GLY C C 25 174.286 174.286 174.075 0.211 25125 4257 1 7 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.889 1.532 25125 4258 1 7 . 1 1 25 25 GLY H H 25 7.870 7.870 8.112 -0.242 25125 4259 1 7 . 1 1 26 26 ALA N N 26 121.819 121.819 123.546 -1.727 25125 4260 1 7 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.562 -0.063 25125 4261 1 7 . 1 1 26 26 ALA C C 26 176.953 176.953 177.983 -1.030 25125 4262 1 7 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.092 0.427 25125 4263 1 7 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.993 -1.271 25125 4264 1 7 . 1 1 26 26 ALA H H 26 7.285 7.285 7.198 0.087 25125 4265 1 7 . 1 1 27 27 GLY N N 27 106.197 106.197 106.955 -0.758 25125 4266 1 7 . 1 1 27 27 GLY C C 27 173.956 173.956 172.865 1.091 25125 4267 1 7 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.250 0.066 25125 4268 1 7 . 1 1 27 27 GLY H H 27 7.824 7.824 8.586 -0.762 25125 4269 1 7 . 1 1 28 28 LEU N N 28 120.291 120.291 117.427 2.864 25125 4270 1 7 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.710 -0.135 25125 4271 1 7 . 1 1 28 28 LEU C C 28 175.881 175.881 176.752 -0.871 25125 4272 1 7 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.831 0.812 25125 4273 1 7 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.843 -2.357 25125 4274 1 7 . 1 1 28 28 LEU H H 28 7.678 7.678 7.080 0.598 25125 4275 1 7 . 1 1 29 29 THR N N 29 118.040 118.040 117.990 0.050 25125 4276 1 7 . 1 1 29 29 THR HA H 29 4.335 4.335 4.241 0.094 25125 4277 1 7 . 1 1 29 29 THR C C 29 173.186 173.186 174.019 -0.833 25125 4278 1 7 . 1 1 29 29 THR CA C 29 62.479 62.479 64.448 -1.969 25125 4279 1 7 . 1 1 29 29 THR CB C 29 69.465 69.465 69.414 0.051 25125 4280 1 7 . 1 1 29 29 THR H H 29 8.527 8.527 8.675 -0.148 25125 4281 1 7 . 1 1 30 30 CYS N N 30 128.387 128.387 121.778 6.609 25125 4282 1 7 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.251 0.692 25125 4283 1 7 . 1 1 30 30 CYS C C 30 173.846 173.846 174.344 -0.498 25125 4284 1 7 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.954 -0.592 25125 4285 1 7 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.767 -0.287 25125 4286 1 7 . 1 1 30 30 CYS H H 30 8.968 8.968 8.532 0.436 25125 4287 1 7 . 1 1 31 31 THR N N 31 126.481 126.481 123.519 2.962 25125 4288 1 7 . 1 1 31 31 THR HA H 31 4.433 4.433 4.407 0.026 25125 4289 1 7 . 1 1 31 31 THR C C 31 172.609 172.609 173.291 -0.682 25125 4290 1 7 . 1 1 31 31 THR CA C 31 61.951 61.951 61.547 0.404 25125 4291 1 7 . 1 1 31 31 THR CB C 31 70.567 70.567 69.913 0.654 25125 4292 1 7 . 1 1 31 31 THR H H 31 8.614 8.614 8.574 0.040 25125 4293 1 7 . 1 1 32 32 THR N N 32 116.418 116.418 118.397 -1.979 25125 4294 1 7 . 1 1 32 32 THR HA H 32 5.330 5.330 5.264 0.066 25125 4295 1 7 . 1 1 32 32 THR C C 32 172.306 172.306 172.829 -0.523 25125 4296 1 7 . 1 1 32 32 THR CA C 32 59.173 59.173 60.359 -1.186 25125 4297 1 7 . 1 1 32 32 THR CB C 32 70.917 70.917 69.648 1.269 25125 4298 1 7 . 1 1 32 32 THR H H 32 8.299 8.299 8.207 0.092 25125 4299 1 7 . 1 1 33 33 PHE N N 33 118.067 118.067 123.623 -5.556 25125 4300 1 7 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.821 -0.178 25125 4301 1 7 . 1 1 33 33 PHE C C 33 174.341 174.341 176.603 -2.262 25125 4302 1 7 . 1 1 33 33 PHE CA C 33 56.532 56.532 55.980 0.552 25125 4303 1 7 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.990 1.319 25125 4304 1 7 . 1 1 33 33 PHE H H 33 8.890 8.890 8.865 0.025 25125 4305 1 7 . 1 1 34 34 GLU N N 34 118.499 118.499 118.232 0.267 25125 4306 1 7 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.703 -0.349 25125 4307 1 7 . 1 1 34 34 GLU C C 34 175.414 175.414 175.639 -0.225 25125 4308 1 7 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.157 0.535 25125 4309 1 7 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.764 -0.297 25125 4310 1 7 . 1 1 34 34 GLU H H 34 9.023 9.023 8.953 0.070 25125 4311 1 7 . 1 1 35 35 ASN N N 35 109.907 109.907 118.828 -8.921 25125 4312 1 7 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.030 -0.249 25125 4313 1 7 . 1 1 35 35 ASN C C 35 175.139 175.139 176.634 -1.495 25125 4314 1 7 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.415 -0.269 25125 4315 1 7 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.352 0.971 25125 4316 1 7 . 1 1 35 35 ASN H H 35 7.401 7.401 7.690 -0.289 25125 4317 1 7 . 1 1 36 36 GLY N N 36 106.739 106.739 113.114 -6.375 25125 4318 1 7 . 1 1 36 36 GLY C C 36 174.616 174.616 175.355 -0.739 25125 4319 1 7 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.306 -0.290 25125 4320 1 7 . 1 1 36 36 GLY H H 36 8.877 8.877 9.073 -0.196 25125 4321 1 7 . 1 1 37 37 ASN N N 37 120.462 120.462 118.637 1.825 25125 4322 1 7 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.436 -0.074 25125 4323 1 7 . 1 1 37 37 ASN C C 37 178.686 178.686 177.289 1.397 25125 4324 1 7 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.636 0.896 25125 4325 1 7 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.489 -0.904 25125 4326 1 7 . 1 1 37 37 ASN H H 37 8.366 8.366 8.611 -0.245 25125 4327 1 7 . 1 1 38 38 GLU N N 38 119.360 119.360 117.501 1.859 25125 4328 1 7 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.249 -0.179 25125 4329 1 7 . 1 1 38 38 GLU C C 38 179.263 179.263 177.685 1.578 25125 4330 1 7 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.823 0.809 25125 4331 1 7 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.024 0.508 25125 4332 1 7 . 1 1 38 38 GLU H H 38 7.990 7.990 8.229 -0.239 25125 4333 1 7 . 1 1 39 39 VAL N N 39 119.259 119.259 119.526 -0.267 25125 4334 1 7 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.134 -0.366 25125 4335 1 7 . 1 1 39 39 VAL C C 39 176.431 176.431 177.273 -0.842 25125 4336 1 7 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.449 -0.506 25125 4337 1 7 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.867 -0.792 25125 4338 1 7 . 1 1 39 39 VAL H H 39 6.883 6.883 7.661 -0.778 25125 4339 1 7 . 1 1 40 40 LEU N N 40 119.627 119.627 121.165 -1.538 25125 4340 1 7 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.989 -0.062 25125 4341 1 7 . 1 1 40 40 LEU C C 40 179.538 179.538 178.034 1.504 25125 4342 1 7 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.077 -0.137 25125 4343 1 7 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.494 -0.426 25125 4344 1 7 . 1 1 40 40 LEU H H 40 7.692 7.692 8.015 -0.323 25125 4345 1 7 . 1 1 41 41 ALA N N 41 120.051 120.051 119.669 0.382 25125 4346 1 7 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.141 -0.001 25125 4347 1 7 . 1 1 41 41 ALA C C 41 180.528 180.528 179.283 1.245 25125 4348 1 7 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.447 0.203 25125 4349 1 7 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.961 -0.095 25125 4350 1 7 . 1 1 41 41 ALA H H 41 7.553 7.553 7.891 -0.338 25125 4351 1 7 . 1 1 42 42 ALA N N 42 122.731 122.731 122.446 0.285 25125 4352 1 7 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.160 0.039 25125 4353 1 7 . 1 1 42 42 ALA C C 42 180.198 180.198 180.413 -0.215 25125 4354 1 7 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.557 0.475 25125 4355 1 7 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.207 1.192 25125 4356 1 7 . 1 1 42 42 ALA H H 42 7.604 7.604 7.204 0.400 25125 4357 1 7 . 1 1 43 43 LEU N N 43 119.131 119.131 118.519 0.612 25125 4358 1 7 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.989 1.217 25125 4359 1 7 . 1 1 43 43 LEU C C 43 177.421 177.421 179.066 -1.645 25125 4360 1 7 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.473 -1.928 25125 4361 1 7 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.034 1.570 25125 4362 1 7 . 1 1 43 43 LEU H H 43 8.288 8.288 8.035 0.253 25125 4363 1 7 . 1 1 44 44 ALA N N 44 119.065 119.065 119.207 -0.142 25125 4364 1 7 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.217 0.012 25125 4365 1 7 . 1 1 44 44 ALA C C 44 178.686 178.686 178.563 0.123 25125 4366 1 7 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.766 0.472 25125 4367 1 7 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.384 0.132 25125 4368 1 7 . 1 1 44 44 ALA H H 44 7.302 7.302 7.778 -0.476 25125 4369 1 7 . 1 1 45 45 SER N N 45 108.656 108.656 115.723 -7.067 25125 4370 1 7 . 1 1 45 45 SER HA H 45 4.742 4.742 4.387 0.355 25125 4371 1 7 . 1 1 45 45 SER C C 45 173.296 173.296 176.325 -3.029 25125 4372 1 7 . 1 1 45 45 SER CA C 45 58.656 58.656 60.904 -2.248 25125 4373 1 7 . 1 1 45 45 SER CB C 45 65.407 65.407 63.766 1.641 25125 4374 1 7 . 1 1 45 45 SER H H 45 7.728 7.728 8.174 -0.446 25125 4375 1 7 . 1 1 46 46 LYS N N 46 123.016 123.016 117.138 5.878 25125 4376 1 7 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.584 0.002 25125 4377 1 7 . 1 1 46 46 LYS C C 46 172.719 172.719 175.899 -3.180 25125 4378 1 7 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.263 -0.751 25125 4379 1 7 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.549 1.676 25125 4380 1 7 . 1 1 46 46 LYS H H 46 8.101 8.101 7.857 0.244 25125 4381 1 7 . 1 1 47 47 THR N N 47 111.780 111.780 115.445 -3.665 25125 4382 1 7 . 1 1 47 47 THR HA H 47 4.282 4.282 3.975 0.307 25125 4383 1 7 . 1 1 47 47 THR CA C 47 57.806 57.806 62.239 -4.433 25125 4384 1 7 . 1 1 47 47 THR CB C 47 70.594 70.594 68.079 2.514 25125 4385 1 7 . 1 1 47 47 THR H H 47 7.677 7.677 7.884 -0.207 25125 4386 1 7 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.937 -0.032 25125 4387 1 7 . 1 1 48 48 PRO C C 48 172.966 172.966 175.063 -2.097 25125 4388 1 7 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.032 -1.167 25125 4389 1 7 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.620 -1.343 25125 4390 1 7 . 1 1 49 49 ASP N N 49 115.035 115.035 118.033 -2.998 25125 4391 1 7 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.722 -0.278 25125 4392 1 7 . 1 1 49 49 ASP C C 49 175.634 175.634 175.818 -0.184 25125 4393 1 7 . 1 1 49 49 ASP CA C 49 56.447 56.447 53.997 2.450 25125 4394 1 7 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.421 -0.909 25125 4395 1 7 . 1 1 49 49 ASP H H 49 8.502 8.502 8.018 0.484 25125 4396 1 7 . 1 1 50 50 VAL N N 50 112.082 112.082 116.123 -4.041 25125 4397 1 7 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.679 -0.399 25125 4398 1 7 . 1 1 50 50 VAL C C 50 171.454 171.454 172.664 -1.210 25125 4399 1 7 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.239 -0.677 25125 4400 1 7 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.840 0.796 25125 4401 1 7 . 1 1 50 50 VAL H H 50 7.173 7.173 7.222 -0.049 25125 4402 1 7 . 1 1 51 51 LEU N N 51 128.247 128.247 125.022 3.225 25125 4403 1 7 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.497 -0.178 25125 4404 1 7 . 1 1 51 51 LEU C C 51 173.104 173.104 174.906 -1.802 25125 4405 1 7 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.060 0.158 25125 4406 1 7 . 1 1 51 51 LEU CB C 51 46.506 46.506 47.125 -0.619 25125 4407 1 7 . 1 1 51 51 LEU H H 51 8.059 8.059 7.917 0.142 25125 4408 1 7 . 1 1 52 52 LEU N N 52 128.407 128.407 120.821 7.586 25125 4409 1 7 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.197 0.304 25125 4410 1 7 . 1 1 52 52 LEU C C 52 175.414 175.414 176.249 -0.835 25125 4411 1 7 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.065 0.258 25125 4412 1 7 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.001 2.520 25125 4413 1 7 . 1 1 52 52 LEU H H 52 9.242 9.242 8.215 1.027 25125 4414 1 7 . 1 1 53 53 SER N N 53 114.946 114.946 118.428 -3.482 25125 4415 1 7 . 1 1 53 53 SER HA H 53 5.595 5.595 4.338 1.257 25125 4416 1 7 . 1 1 53 53 SER C C 53 174.644 174.644 173.613 1.031 25125 4417 1 7 . 1 1 53 53 SER CA C 53 55.954 55.954 58.670 -2.716 25125 4418 1 7 . 1 1 53 53 SER CB C 53 66.473 66.473 64.239 2.234 25125 4419 1 7 . 1 1 53 53 SER H H 53 8.695 8.695 8.177 0.518 25125 4420 1 7 . 1 1 54 54 ASP N N 54 128.341 128.341 126.159 2.182 25125 4421 1 7 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.161 0.164 25125 4422 1 7 . 1 1 54 54 ASP C C 54 176.816 176.816 175.819 0.997 25125 4423 1 7 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.809 1.684 25125 4424 1 7 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.230 0.098 25125 4425 1 7 . 1 1 54 54 ASP H H 54 7.886 7.886 8.204 -0.318 25125 4426 1 7 . 1 1 55 55 ILE N N 55 121.229 121.229 124.704 -3.475 25125 4427 1 7 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.943 0.242 25125 4428 1 7 . 1 1 55 55 ILE C C 55 175.084 175.084 174.766 0.318 25125 4429 1 7 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.237 -0.695 25125 4430 1 7 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.446 1.583 25125 4431 1 7 . 1 1 55 55 ILE H H 55 8.722 8.722 8.552 0.170 25125 4432 1 7 . 1 1 56 56 ARG N N 56 124.188 124.188 123.240 0.948 25125 4433 1 7 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.436 0.069 25125 4434 1 7 . 1 1 56 56 ARG C C 56 175.661 175.661 174.480 1.181 25125 4435 1 7 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.055 -0.614 25125 4436 1 7 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.655 0.707 25125 4437 1 7 . 1 1 56 56 ARG H H 56 8.499 8.499 8.213 0.286 25125 4438 1 7 . 1 1 57 57 MET N N 57 122.581 122.581 117.433 5.148 25125 4439 1 7 . 1 1 57 57 MET HA H 57 4.821 4.821 5.017 -0.196 25125 4440 1 7 . 1 1 57 57 MET CA C 57 53.132 53.132 53.054 0.078 25125 4441 1 7 . 1 1 57 57 MET CB C 57 33.445 33.445 33.290 0.155 25125 4442 1 7 . 1 1 57 57 MET H H 57 7.956 7.956 7.710 0.246 25125 4443 1 7 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.479 -0.086 25125 4444 1 7 . 1 1 58 58 PRO C C 58 177.806 177.806 178.043 -0.237 25125 4445 1 7 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.067 0.432 25125 4446 1 7 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.308 -0.501 25125 4447 1 7 . 1 1 59 59 GLY N N 59 111.082 111.082 107.237 3.845 25125 4448 1 7 . 1 1 59 59 GLY C C 59 173.626 173.626 175.036 -1.410 25125 4449 1 7 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.861 -0.271 25125 4450 1 7 . 1 1 59 59 GLY H H 59 8.653 8.653 8.495 0.158 25125 4451 1 7 . 1 1 60 60 MET N N 60 120.052 120.052 121.369 -1.317 25125 4452 1 7 . 1 1 60 60 MET HA H 60 4.525 4.525 4.386 0.139 25125 4453 1 7 . 1 1 60 60 MET C C 60 173.956 173.956 175.570 -1.614 25125 4454 1 7 . 1 1 60 60 MET CA C 60 55.047 55.047 55.993 -0.946 25125 4455 1 7 . 1 1 60 60 MET CB C 60 34.506 34.506 33.260 1.246 25125 4456 1 7 . 1 1 60 60 MET H H 60 7.968 7.968 8.099 -0.131 25125 4457 1 7 . 1 1 61 61 ASP N N 61 121.306 121.306 117.298 4.008 25125 4458 1 7 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.833 -0.129 25125 4459 1 7 . 1 1 61 61 ASP C C 61 176.761 176.761 177.244 -0.483 25125 4460 1 7 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.071 -0.342 25125 4461 1 7 . 1 1 61 61 ASP CB C 61 41.069 41.069 42.318 -1.249 25125 4462 1 7 . 1 1 61 61 ASP H H 61 8.379 8.379 8.352 0.027 25125 4463 1 7 . 1 1 62 62 GLY N N 62 110.874 110.874 109.379 1.495 25125 4464 1 7 . 1 1 62 62 GLY C C 62 175.194 175.194 175.880 -0.686 25125 4465 1 7 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.762 0.339 25125 4466 1 7 . 1 1 62 62 GLY H H 62 8.707 8.707 8.526 0.181 25125 4467 1 7 . 1 1 63 63 LEU N N 63 121.299 121.299 119.309 1.990 25125 4468 1 7 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.525 -0.348 25125 4469 1 7 . 1 1 63 63 LEU C C 63 178.356 178.356 178.356 0.000 25125 4470 1 7 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.278 1.601 25125 4471 1 7 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.567 0.671 25125 4472 1 7 . 1 1 63 63 LEU H H 63 8.045 8.045 7.793 0.252 25125 4473 1 7 . 1 1 64 64 ALA N N 64 122.741 122.741 122.432 0.309 25125 4474 1 7 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.084 -0.022 25125 4475 1 7 . 1 1 64 64 ALA C C 64 180.556 180.556 179.244 1.312 25125 4476 1 7 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.087 -0.472 25125 4477 1 7 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.093 -0.093 25125 4478 1 7 . 1 1 64 64 ALA H H 64 7.859 7.859 8.247 -0.388 25125 4479 1 7 . 1 1 65 65 LEU N N 65 120.287 120.287 114.997 5.290 25125 4480 1 7 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.408 -0.346 25125 4481 1 7 . 1 1 65 65 LEU C C 65 178.191 178.191 178.374 -0.183 25125 4482 1 7 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.693 1.326 25125 4483 1 7 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.208 -0.970 25125 4484 1 7 . 1 1 65 65 LEU H H 65 8.022 8.022 7.568 0.454 25125 4485 1 7 . 1 1 66 66 LEU N N 66 118.738 118.738 120.024 -1.286 25125 4486 1 7 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.196 -0.338 25125 4487 1 7 . 1 1 66 66 LEU C C 66 178.631 178.631 178.773 -0.142 25125 4488 1 7 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.552 1.794 25125 4489 1 7 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.975 0.263 25125 4490 1 7 . 1 1 66 66 LEU H H 66 8.101 8.101 7.837 0.264 25125 4491 1 7 . 1 1 67 67 LYS N N 67 117.842 117.842 117.337 0.505 25125 4492 1 7 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.131 -0.149 25125 4493 1 7 . 1 1 67 67 LYS C C 67 179.263 179.263 178.431 0.832 25125 4494 1 7 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.579 1.218 25125 4495 1 7 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.956 0.251 25125 4496 1 7 . 1 1 67 67 LYS H H 67 8.010 8.010 8.191 -0.181 25125 4497 1 7 . 1 1 68 68 GLN N N 68 118.875 118.875 117.007 1.868 25125 4498 1 7 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.341 -0.285 25125 4499 1 7 . 1 1 68 68 GLN C C 68 179.071 179.071 177.489 1.582 25125 4500 1 7 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.137 0.936 25125 4501 1 7 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.735 -0.124 25125 4502 1 7 . 1 1 68 68 GLN H H 68 7.809 7.809 7.467 0.342 25125 4503 1 7 . 1 1 69 69 ILE N N 69 120.377 120.377 121.772 -1.395 25125 4504 1 7 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.970 -0.440 25125 4505 1 7 . 1 1 69 69 ILE C C 69 177.421 177.421 178.072 -0.651 25125 4506 1 7 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.964 0.914 25125 4507 1 7 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.669 -0.085 25125 4508 1 7 . 1 1 69 69 ILE H H 69 8.481 8.481 7.567 0.914 25125 4509 1 7 . 1 1 70 70 LYS N N 70 117.873 117.873 117.080 0.793 25125 4510 1 7 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.222 -0.262 25125 4511 1 7 . 1 1 70 70 LYS C C 70 178.053 178.053 177.734 0.319 25125 4512 1 7 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.722 -0.634 25125 4513 1 7 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.861 -0.649 25125 4514 1 7 . 1 1 70 70 LYS H H 70 8.220 8.220 7.925 0.295 25125 4515 1 7 . 1 1 71 71 GLN N N 71 116.315 116.315 117.671 -1.356 25125 4516 1 7 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.224 -0.232 25125 4517 1 7 . 1 1 71 71 GLN C C 71 177.366 177.366 177.921 -0.555 25125 4518 1 7 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.746 0.444 25125 4519 1 7 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.323 -0.658 25125 4520 1 7 . 1 1 71 71 GLN H H 71 7.601 7.601 7.534 0.067 25125 4521 1 7 . 1 1 72 72 ARG N N 72 116.530 116.530 117.186 -0.656 25125 4522 1 7 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.171 -0.141 25125 4523 1 7 . 1 1 72 72 ARG C C 72 175.826 175.826 176.474 -0.648 25125 4524 1 7 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.276 -0.054 25125 4525 1 7 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.956 -0.154 25125 4526 1 7 . 1 1 72 72 ARG H H 72 7.301 7.301 8.202 -0.901 25125 4527 1 7 . 1 1 73 73 HIS N N 73 116.755 116.755 116.759 -0.004 25125 4528 1 7 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.016 -0.056 25125 4529 1 7 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.639 -0.421 25125 4530 1 7 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.133 0.429 25125 4531 1 7 . 1 1 73 73 HIS H H 73 8.331 8.331 7.876 0.455 25125 4532 1 7 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.420 0.079 25125 4533 1 7 . 1 1 74 74 PRO C C 74 178.466 178.466 177.641 0.825 25125 4534 1 7 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.810 0.303 25125 4535 1 7 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.262 -0.167 25125 4536 1 7 . 1 1 75 75 MET N N 75 114.814 114.814 116.576 -1.762 25125 4537 1 7 . 1 1 75 75 MET HA H 75 4.567 4.567 4.440 0.127 25125 4538 1 7 . 1 1 75 75 MET C C 75 176.046 176.046 175.462 0.584 25125 4539 1 7 . 1 1 75 75 MET CA C 75 54.266 54.266 55.619 -1.353 25125 4540 1 7 . 1 1 75 75 MET CB C 75 31.288 31.288 32.553 -1.265 25125 4541 1 7 . 1 1 75 75 MET H H 75 8.623 8.623 8.024 0.599 25125 4542 1 7 . 1 1 76 76 LEU N N 76 125.533 125.533 122.184 3.349 25125 4543 1 7 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.715 -0.410 25125 4544 1 7 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.354 1.758 25125 4545 1 7 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.111 0.574 25125 4546 1 7 . 1 1 76 76 LEU H H 76 7.337 7.337 7.104 0.233 25125 4547 1 7 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.571 -0.125 25125 4548 1 7 . 1 1 77 77 PRO C C 77 174.974 174.974 175.647 -0.673 25125 4549 1 7 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.831 -0.005 25125 4550 1 7 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.467 -0.745 25125 4551 1 7 . 1 1 78 78 VAL N N 78 123.779 123.779 119.259 4.520 25125 4552 1 7 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.836 0.188 25125 4553 1 7 . 1 1 78 78 VAL C C 78 175.441 175.441 175.096 0.345 25125 4554 1 7 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.973 -0.780 25125 4555 1 7 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.618 -2.325 25125 4556 1 7 . 1 1 78 78 VAL H H 78 8.317 8.317 8.155 0.162 25125 4557 1 7 . 1 1 79 79 ILE N N 79 128.334 128.334 120.387 7.947 25125 4558 1 7 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.818 -0.337 25125 4559 1 7 . 1 1 79 79 ILE C C 79 174.479 174.479 174.896 -0.417 25125 4560 1 7 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.009 -0.487 25125 4561 1 7 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.927 -1.964 25125 4562 1 7 . 1 1 79 79 ILE H H 79 9.292 9.292 8.317 0.975 25125 4563 1 7 . 1 1 80 80 ILE N N 80 127.023 127.023 127.050 -0.027 25125 4564 1 7 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.174 0.685 25125 4565 1 7 . 1 1 80 80 ILE C C 80 175.029 175.029 175.219 -0.190 25125 4566 1 7 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.397 -2.240 25125 4567 1 7 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.643 -0.699 25125 4568 1 7 . 1 1 80 80 ILE H H 80 7.938 7.938 8.883 -0.945 25125 4569 1 7 . 1 1 81 81 MET N N 81 127.255 127.255 126.851 0.404 25125 4570 1 7 . 1 1 81 81 MET HA H 81 5.521 5.521 5.359 0.162 25125 4571 1 7 . 1 1 81 81 MET C C 81 174.534 174.534 175.326 -0.792 25125 4572 1 7 . 1 1 81 81 MET CA C 81 53.513 53.513 55.148 -1.635 25125 4573 1 7 . 1 1 81 81 MET CB C 81 35.483 35.483 35.572 -0.089 25125 4574 1 7 . 1 1 81 81 MET H H 81 8.801 8.801 8.686 0.115 25125 4575 1 7 . 1 1 82 82 THR N N 82 112.857 112.857 117.421 -4.564 25125 4576 1 7 . 1 1 82 82 THR HA H 82 4.914 4.914 4.421 0.493 25125 4577 1 7 . 1 1 82 82 THR C C 82 172.581 172.581 174.276 -1.695 25125 4578 1 7 . 1 1 82 82 THR CA C 82 59.561 59.561 63.450 -3.889 25125 4579 1 7 . 1 1 82 82 THR CB C 82 69.989 69.989 69.312 0.677 25125 4580 1 7 . 1 1 82 82 THR H H 82 7.623 7.623 8.474 -0.851 25125 4581 1 7 . 1 1 83 83 ALA N N 83 129.541 129.541 123.876 5.665 25125 4582 1 7 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.961 0.747 25125 4583 1 7 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.080 -1.542 25125 4584 1 7 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.172 1.975 25125 4585 1 7 . 1 1 83 83 ALA H H 83 9.149 9.149 8.236 0.913 25125 4586 1 7 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.637 -0.365 25125 4587 1 7 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.563 5.137 25125 4588 1 7 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.415 -0.397 25125 4589 1 7 . 1 1 85 85 SER N N 85 112.633 112.633 117.147 -4.514 25125 4590 1 7 . 1 1 85 85 SER HA H 85 4.198 4.198 4.089 0.109 25125 4591 1 7 . 1 1 85 85 SER C C 85 174.506 174.506 173.375 1.131 25125 4592 1 7 . 1 1 85 85 SER CA C 85 59.823 59.823 59.523 0.301 25125 4593 1 7 . 1 1 85 85 SER CB C 85 62.693 62.693 62.293 0.400 25125 4594 1 7 . 1 1 85 85 SER H H 85 8.224 8.224 8.834 -0.610 25125 4595 1 7 . 1 1 86 86 ASP N N 86 120.886 120.886 117.556 3.330 25125 4596 1 7 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.538 0.398 25125 4597 1 7 . 1 1 86 86 ASP C C 86 175.881 175.881 176.807 -0.926 25125 4598 1 7 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.224 -1.290 25125 4599 1 7 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.727 1.276 25125 4600 1 7 . 1 1 86 86 ASP H H 86 7.608 7.608 8.363 -0.755 25125 4601 1 7 . 1 1 87 87 LEU N N 87 121.913 121.913 122.069 -0.156 25125 4602 1 7 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.626 0.293 25125 4603 1 7 . 1 1 87 87 LEU C C 87 177.586 177.586 178.252 -0.666 25125 4604 1 7 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.535 -0.698 25125 4605 1 7 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.452 0.863 25125 4606 1 7 . 1 1 87 87 LEU H H 87 7.498 7.498 8.064 -0.566 25125 4607 1 7 . 1 1 88 88 ASP N N 88 117.621 117.621 117.881 -0.260 25125 4608 1 7 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.214 0.058 25125 4609 1 7 . 1 1 88 88 ASP C C 88 178.246 178.246 177.810 0.436 25125 4610 1 7 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.596 -0.785 25125 4611 1 7 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.473 -0.339 25125 4612 1 7 . 1 1 88 88 ASP H H 88 8.322 8.322 8.666 -0.344 25125 4613 1 7 . 1 1 89 89 ALA N N 89 122.874 122.874 121.273 1.601 25125 4614 1 7 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.373 -0.279 25125 4615 1 7 . 1 1 89 89 ALA C C 89 179.346 179.346 179.364 -0.018 25125 4616 1 7 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.247 -0.094 25125 4617 1 7 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.860 -0.599 25125 4618 1 7 . 1 1 89 89 ALA H H 89 7.838 7.838 7.780 0.058 25125 4619 1 7 . 1 1 90 90 ALA N N 90 121.673 121.673 122.374 -0.701 25125 4620 1 7 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.046 -0.113 25125 4621 1 7 . 1 1 90 90 ALA C C 90 178.686 178.686 180.336 -1.650 25125 4622 1 7 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.008 -0.345 25125 4623 1 7 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.078 0.304 25125 4624 1 7 . 1 1 90 90 ALA H H 90 7.896 7.896 8.410 -0.514 25125 4625 1 7 . 1 1 91 91 VAL N N 91 117.749 117.749 117.620 0.129 25125 4626 1 7 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.915 -0.303 25125 4627 1 7 . 1 1 91 91 VAL C C 91 178.411 178.411 177.290 1.121 25125 4628 1 7 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.656 -1.474 25125 4629 1 7 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.947 -0.310 25125 4630 1 7 . 1 1 91 91 VAL H H 91 8.098 8.098 8.493 -0.395 25125 4631 1 7 . 1 1 92 92 SER N N 92 114.942 114.942 113.554 1.388 25125 4632 1 7 . 1 1 92 92 SER HA H 92 4.231 4.231 4.470 -0.239 25125 4633 1 7 . 1 1 92 92 SER C C 92 175.826 175.826 175.647 0.179 25125 4634 1 7 . 1 1 92 92 SER CA C 92 60.649 60.649 59.995 0.654 25125 4635 1 7 . 1 1 92 92 SER CB C 92 63.063 63.063 64.407 -1.344 25125 4636 1 7 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125 4637 1 7 . 1 1 93 93 ALA N N 93 122.580 122.580 123.244 -0.664 25125 4638 1 7 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.230 -0.173 25125 4639 1 7 . 1 1 93 93 ALA C C 93 178.906 178.906 179.456 -0.550 25125 4640 1 7 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.601 -0.284 25125 4641 1 7 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.698 -0.401 25125 4642 1 7 . 1 1 93 93 ALA H H 93 7.861 7.861 8.388 -0.527 25125 4643 1 7 . 1 1 94 94 TYR N N 94 118.447 118.447 120.778 -2.331 25125 4644 1 7 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.268 0.224 25125 4645 1 7 . 1 1 94 94 TYR C C 94 177.393 177.393 177.556 -0.163 25125 4646 1 7 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.118 -0.867 25125 4647 1 7 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.400 0.034 25125 4648 1 7 . 1 1 94 94 TYR H H 94 8.150 8.150 7.931 0.219 25125 4649 1 7 . 1 1 95 95 GLN N N 95 119.787 119.787 115.846 3.941 25125 4650 1 7 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.065 -0.022 25125 4651 1 7 . 1 1 95 95 GLN C C 95 176.981 176.981 176.542 0.439 25125 4652 1 7 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.957 0.509 25125 4653 1 7 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.790 0.299 25125 4654 1 7 . 1 1 95 95 GLN H H 95 8.271 8.271 7.915 0.356 25125 4655 1 7 . 1 1 96 96 GLN N N 96 117.878 117.878 118.747 -0.869 25125 4656 1 7 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.269 0.076 25125 4657 1 7 . 1 1 96 96 GLN C C 96 175.854 175.854 176.057 -0.203 25125 4658 1 7 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.878 0.293 25125 4659 1 7 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.026 0.449 25125 4660 1 7 . 1 1 96 96 GLN H H 96 7.944 7.944 7.871 0.073 25125 4661 1 7 . 1 1 97 97 GLY N N 97 106.670 106.670 105.459 1.211 25125 4662 1 7 . 1 1 97 97 GLY C C 97 174.231 174.231 172.960 1.271 25125 4663 1 7 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.762 0.724 25125 4664 1 7 . 1 1 97 97 GLY H H 97 7.949 7.949 7.867 0.082 25125 4665 1 7 . 1 1 98 98 ALA N N 98 122.898 122.898 121.555 1.343 25125 4666 1 7 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.502 -0.127 25125 4667 1 7 . 1 1 98 98 ALA C C 98 175.991 175.991 175.456 0.535 25125 4668 1 7 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.958 2.210 25125 4669 1 7 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.306 -1.337 25125 4670 1 7 . 1 1 98 98 ALA H H 98 7.808 7.808 7.169 0.639 25125 4671 1 7 . 1 1 99 99 PHE N N 99 123.484 123.484 121.531 1.953 25125 4672 1 7 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.378 -0.028 25125 4673 1 7 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.787 1.669 25125 4674 1 7 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.071 -0.631 25125 4675 1 7 . 1 1 99 99 PHE H H 99 7.704 7.704 8.334 -0.630 25125 4676 1 7 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.856 0.648 25125 4677 1 7 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.334 -1.852 25125 4678 1 7 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.058 4.142 25125 4679 1 7 . 1 1 101 101 TYR N N 101 118.148 118.148 119.705 -1.557 25125 4680 1 7 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.461 0.987 25125 4681 1 7 . 1 1 101 101 TYR C C 101 173.159 173.159 174.654 -1.495 25125 4682 1 7 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.629 -0.642 25125 4683 1 7 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.991 2.907 25125 4684 1 7 . 1 1 101 101 TYR H H 101 9.546 9.546 7.449 2.097 25125 4685 1 7 . 1 1 102 102 LEU N N 102 124.100 124.100 120.240 3.860 25125 4686 1 7 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.090 -0.370 25125 4687 1 7 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.673 -1.174 25125 4688 1 7 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.403 -0.342 25125 4689 1 7 . 1 1 102 102 LEU H H 102 8.901 8.901 8.665 0.236 25125 4690 1 7 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.561 0.332 25125 4691 1 7 . 1 1 103 103 PRO C C 103 175.524 175.524 175.787 -0.263 25125 4692 1 7 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.674 -0.789 25125 4693 1 7 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.481 -0.674 25125 4694 1 7 . 1 1 104 104 LYS N N 104 118.848 118.848 121.290 -2.442 25125 4695 1 7 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.782 -0.269 25125 4696 1 7 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.183 0.035 25125 4697 1 7 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.806 0.938 25125 4698 1 7 . 1 1 104 104 LYS H H 104 8.279 8.279 8.181 0.098 25125 4699 1 7 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.267 0.032 25125 4700 1 7 . 1 1 105 105 PRO C C 105 175.001 175.001 175.901 -0.900 25125 4701 1 7 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.621 -0.227 25125 4702 1 7 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.157 1.938 25125 4703 1 7 . 1 1 106 106 PHE N N 106 116.607 116.607 114.830 1.777 25125 4704 1 7 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.784 0.386 25125 4705 1 7 . 1 1 106 106 PHE C C 106 175.221 175.221 174.346 0.875 25125 4706 1 7 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.833 -2.398 25125 4707 1 7 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.931 0.469 25125 4708 1 7 . 1 1 106 106 PHE H H 106 7.457 7.457 7.374 0.083 25125 4709 1 7 . 1 1 107 107 ASP N N 107 122.214 122.214 121.996 0.218 25125 4710 1 7 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.067 -0.235 25125 4711 1 7 . 1 1 107 107 ASP C C 107 177.778 177.778 177.295 0.483 25125 4712 1 7 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.346 -0.104 25125 4713 1 7 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.266 1.331 25125 4714 1 7 . 1 1 107 107 ASP H H 107 9.022 9.022 8.641 0.381 25125 4715 1 7 . 1 1 108 108 ILE N N 108 127.706 127.706 125.049 2.657 25125 4716 1 7 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.726 0.239 25125 4717 1 7 . 1 1 108 108 ILE C C 108 176.046 176.046 177.410 -1.364 25125 4718 1 7 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.791 -1.802 25125 4719 1 7 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.139 -0.385 25125 4720 1 7 . 1 1 108 108 ILE H H 108 8.860 8.860 8.767 0.093 25125 4721 1 7 . 1 1 109 109 ASP N N 109 120.058 120.058 119.290 0.768 25125 4722 1 7 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.369 0.019 25125 4723 1 7 . 1 1 109 109 ASP C C 109 179.786 179.786 178.921 0.865 25125 4724 1 7 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.465 0.029 25125 4725 1 7 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.338 -0.284 25125 4726 1 7 . 1 1 109 109 ASP H H 109 8.079 8.079 8.567 -0.488 25125 4727 1 7 . 1 1 110 110 GLU N N 110 121.559 121.559 119.093 2.466 25125 4728 1 7 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.204 -0.136 25125 4729 1 7 . 1 1 110 110 GLU C C 110 179.043 179.043 178.538 0.505 25125 4730 1 7 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.342 0.484 25125 4731 1 7 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.014 -0.670 25125 4732 1 7 . 1 1 110 110 GLU H H 110 8.012 8.012 8.020 -0.008 25125 4733 1 7 . 1 1 111 111 ALA N N 111 122.267 122.267 123.487 -1.220 25125 4734 1 7 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.960 -0.206 25125 4735 1 7 . 1 1 111 111 ALA C C 111 178.493 178.493 179.512 -1.019 25125 4736 1 7 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.205 -0.033 25125 4737 1 7 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.123 0.259 25125 4738 1 7 . 1 1 111 111 ALA H H 111 7.897 7.897 8.084 -0.187 25125 4739 1 7 . 1 1 112 112 VAL N N 112 116.527 116.527 117.951 -1.424 25125 4740 1 7 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.504 -0.337 25125 4741 1 7 . 1 1 112 112 VAL C C 112 177.201 177.201 177.745 -0.544 25125 4742 1 7 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.465 0.680 25125 4743 1 7 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.598 -0.046 25125 4744 1 7 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125 4745 1 7 . 1 1 113 113 ALA N N 113 119.895 119.895 120.626 -0.731 25125 4746 1 7 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.230 -0.092 25125 4747 1 7 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.870 0.962 25125 4748 1 7 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.974 -1.102 25125 4749 1 7 . 1 1 113 113 ALA H H 113 7.673 7.673 7.477 0.196 25125 4750 1 7 . 1 1 114 114 LEU N N 114 120.650 120.650 121.041 -0.391 25125 4751 1 7 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.069 0.014 25125 4752 1 7 . 1 1 114 114 LEU C C 114 178.466 178.466 178.491 -0.025 25125 4753 1 7 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.683 0.337 25125 4754 1 7 . 1 1 114 114 LEU CB C 114 41.833 41.833 41.972 -0.139 25125 4755 1 7 . 1 1 114 114 LEU H H 114 7.840 7.840 7.731 0.109 25125 4756 1 7 . 1 1 115 115 VAL N N 115 119.480 119.480 118.423 1.057 25125 4757 1 7 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.384 -0.172 25125 4758 1 7 . 1 1 115 115 VAL C C 115 177.448 177.448 177.048 0.400 25125 4759 1 7 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.053 1.148 25125 4760 1 7 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.750 -1.078 25125 4761 1 7 . 1 1 115 115 VAL H H 115 7.824 7.824 8.067 -0.243 25125 4762 1 7 . 1 1 116 116 GLU N N 116 117.473 117.473 118.702 -1.229 25125 4763 1 7 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.948 -0.159 25125 4764 1 7 . 1 1 116 116 GLU C C 116 179.566 179.566 178.471 1.095 25125 4765 1 7 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.447 0.483 25125 4766 1 7 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.248 -0.152 25125 4767 1 7 . 1 1 116 116 GLU H H 116 8.465 8.465 7.794 0.671 25125 4768 1 7 . 1 1 117 117 ARG N N 117 120.128 120.128 119.067 1.061 25125 4769 1 7 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.094 -0.030 25125 4770 1 7 . 1 1 117 117 ARG C C 117 178.438 178.438 177.085 1.353 25125 4771 1 7 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.436 0.842 25125 4772 1 7 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.989 0.288 25125 4773 1 7 . 1 1 117 117 ARG H H 117 8.012 8.012 7.395 0.617 25125 4774 1 7 . 1 1 118 118 ALA N N 118 122.270 122.270 120.478 1.792 25125 4775 1 7 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.913 -0.457 25125 4776 1 7 . 1 1 118 118 ALA C C 118 178.741 178.741 178.436 0.305 25125 4777 1 7 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.780 0.798 25125 4778 1 7 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.024 -0.866 25125 4779 1 7 . 1 1 118 118 ALA H H 118 7.958 7.958 7.313 0.645 25125 4780 1 7 . 1 1 119 119 ILE N N 119 115.269 115.269 117.569 -2.300 25125 4781 1 7 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.094 -0.366 25125 4782 1 7 . 1 1 119 119 ILE C C 119 177.366 177.366 178.190 -0.824 25125 4783 1 7 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.092 -0.423 25125 4784 1 7 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.802 -1.004 25125 4785 1 7 . 1 1 119 119 ILE H H 119 7.753 7.753 7.510 0.243 25125 4786 1 7 . 1 1 120 120 SER N N 120 115.135 115.135 115.880 -0.745 25125 4787 1 7 . 1 1 120 120 SER HA H 120 4.275 4.275 4.053 0.222 25125 4788 1 7 . 1 1 120 120 SER C C 120 175.084 175.084 175.290 -0.206 25125 4789 1 7 . 1 1 120 120 SER CA C 120 59.816 59.816 61.303 -1.487 25125 4790 1 7 . 1 1 120 120 SER CB C 120 63.380 63.380 62.978 0.402 25125 4791 1 7 . 1 1 120 120 SER H H 120 7.816 7.816 8.260 -0.444 25125 4792 1 7 . 1 1 121 121 HIS N N 121 119.908 119.908 118.217 1.691 25125 4793 1 7 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.147 0.275 25125 4794 1 7 . 1 1 121 121 HIS C C 121 175.029 175.029 176.321 -1.292 25125 4795 1 7 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.613 -1.377 25125 4796 1 7 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.612 -0.184 25125 4797 1 7 . 1 1 121 121 HIS H H 121 7.910 7.910 7.849 0.061 25125 4798 1 7 . 1 1 122 122 TYR N N 122 118.880 118.880 117.003 1.877 25125 4799 1 7 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.562 -0.136 25125 4800 1 7 . 1 1 122 122 TYR C C 122 175.276 175.276 176.701 -1.425 25125 4801 1 7 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.213 -0.764 25125 4802 1 7 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.311 -0.707 25125 4803 1 7 . 1 1 122 122 TYR H H 122 7.766 7.766 7.660 0.106 25125 4804 1 7 . 1 1 123 123 GLN N N 123 121.479 121.479 119.132 2.347 25125 4805 1 7 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.387 -0.117 25125 4806 1 7 . 1 1 123 123 GLN C C 123 174.534 174.534 174.993 -0.459 25125 4807 1 7 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.937 -0.425 25125 4808 1 7 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.746 1.022 25125 4809 1 7 . 1 1 123 123 GLN H H 123 7.878 7.878 7.682 0.196 25125 4810 1 8 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.560 -0.127 25125 4811 1 8 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.046 -0.482 25125 4812 1 8 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.039 2.561 25125 4813 1 8 . 1 1 3 3 ARG N N 3 121.252 121.252 120.607 0.645 25125 4814 1 8 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.242 0.123 25125 4815 1 8 . 1 1 3 3 ARG C C 3 175.634 175.634 175.764 -0.130 25125 4816 1 8 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.621 -0.630 25125 4817 1 8 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.414 0.883 25125 4818 1 8 . 1 1 3 3 ARG H H 3 8.429 8.429 7.930 0.499 25125 4819 1 8 . 1 1 4 4 GLY N N 4 107.663 107.663 108.566 -0.903 25125 4820 1 8 . 1 1 4 4 GLY C C 4 171.041 171.041 172.982 -1.941 25125 4821 1 8 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.383 0.933 25125 4822 1 8 . 1 1 4 4 GLY H H 4 7.963 7.963 7.721 0.242 25125 4823 1 8 . 1 1 5 5 ILE N N 5 122.603 122.603 125.746 -3.143 25125 4824 1 8 . 1 1 5 5 ILE HA H 5 4.699 4.699 3.987 0.712 25125 4825 1 8 . 1 1 5 5 ILE C C 5 175.359 175.359 175.013 0.346 25125 4826 1 8 . 1 1 5 5 ILE CA C 5 60.610 60.610 62.035 -1.425 25125 4827 1 8 . 1 1 5 5 ILE CB C 5 39.576 39.576 38.865 0.711 25125 4828 1 8 . 1 1 5 5 ILE H H 5 9.610 9.610 8.327 1.283 25125 4829 1 8 . 1 1 6 6 VAL N N 6 127.905 127.905 126.892 1.013 25125 4830 1 8 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.971 -0.159 25125 4831 1 8 . 1 1 6 6 VAL C C 6 174.204 174.204 175.435 -1.231 25125 4832 1 8 . 1 1 6 6 VAL CA C 6 59.559 59.559 59.636 -0.078 25125 4833 1 8 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.140 1.386 25125 4834 1 8 . 1 1 6 6 VAL H H 6 9.090 9.090 7.937 1.153 25125 4835 1 8 . 1 1 7 7 TRP N N 7 127.467 127.467 126.945 0.522 25125 4836 1 8 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.334 1.120 25125 4837 1 8 . 1 1 7 7 TRP C C 7 175.056 175.056 175.367 -0.311 25125 4838 1 8 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.422 -1.544 25125 4839 1 8 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.915 0.219 25125 4840 1 8 . 1 1 7 7 TRP H H 7 8.497 8.497 8.091 0.406 25125 4841 1 8 . 1 1 8 8 VAL N N 8 122.068 122.068 117.734 4.334 25125 4842 1 8 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.665 0.421 25125 4843 1 8 . 1 1 8 8 VAL C C 8 173.874 173.874 174.029 -0.155 25125 4844 1 8 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.320 -0.834 25125 4845 1 8 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.381 -0.666 25125 4846 1 8 . 1 1 8 8 VAL H H 8 8.583 8.583 9.434 -0.851 25125 4847 1 8 . 1 1 9 9 VAL N N 9 127.733 127.733 124.702 3.031 25125 4848 1 8 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.639 0.322 25125 4849 1 8 . 1 1 9 9 VAL C C 9 173.131 173.131 173.965 -0.834 25125 4850 1 8 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.576 -0.901 25125 4851 1 8 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.069 0.841 25125 4852 1 8 . 1 1 9 9 VAL H H 9 9.107 9.107 8.786 0.321 25125 4853 1 8 . 1 1 10 10 ASP N N 10 124.306 124.306 124.499 -0.193 25125 4854 1 8 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.889 -0.320 25125 4855 1 8 . 1 1 10 10 ASP C C 10 175.029 175.029 174.928 0.101 25125 4856 1 8 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.699 2.048 25125 4857 1 8 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.827 0.282 25125 4858 1 8 . 1 1 10 10 ASP H H 10 7.775 7.775 7.824 -0.049 25125 4859 1 8 . 1 1 11 11 ASP N N 11 126.714 126.714 117.903 8.811 25125 4860 1 8 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.956 -0.421 25125 4861 1 8 . 1 1 11 11 ASP C C 11 175.689 175.689 174.875 0.814 25125 4862 1 8 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.218 2.500 25125 4863 1 8 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.643 0.431 25125 4864 1 8 . 1 1 11 11 ASP H H 11 9.033 9.033 8.633 0.400 25125 4865 1 8 . 1 1 12 12 ASP N N 12 121.877 121.877 119.199 2.678 25125 4866 1 8 . 1 1 12 12 ASP HA H 12 4.646 4.646 5.025 -0.379 25125 4867 1 8 . 1 1 12 12 ASP C C 12 177.036 177.036 176.409 0.627 25125 4868 1 8 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.853 0.450 25125 4869 1 8 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.232 -3.068 25125 4870 1 8 . 1 1 12 12 ASP H H 12 9.570 9.570 7.922 1.648 25125 4871 1 8 . 1 1 13 13 SER N N 13 123.799 123.799 117.696 6.103 25125 4872 1 8 . 1 1 13 13 SER HA H 13 3.761 3.761 4.242 -0.481 25125 4873 1 8 . 1 1 13 13 SER C C 13 176.156 176.156 176.036 0.120 25125 4874 1 8 . 1 1 13 13 SER CA C 13 61.186 61.186 61.399 -0.213 25125 4875 1 8 . 1 1 13 13 SER CB C 13 62.749 62.749 63.336 -0.587 25125 4876 1 8 . 1 1 13 13 SER H H 13 8.850 8.850 8.746 0.104 25125 4877 1 8 . 1 1 14 14 SER N N 14 119.123 119.123 117.837 1.286 25125 4878 1 8 . 1 1 14 14 SER HA H 14 4.361 4.361 4.322 0.039 25125 4879 1 8 . 1 1 14 14 SER C C 14 176.404 176.404 176.800 -0.396 25125 4880 1 8 . 1 1 14 14 SER CA C 14 61.730 61.730 61.911 -0.181 25125 4881 1 8 . 1 1 14 14 SER CB C 14 62.548 62.548 62.411 0.137 25125 4882 1 8 . 1 1 14 14 SER H H 14 8.531 8.531 8.534 -0.003 25125 4883 1 8 . 1 1 15 15 ILE N N 15 123.637 123.637 120.465 3.172 25125 4884 1 8 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.789 0.156 25125 4885 1 8 . 1 1 15 15 ILE C C 15 177.861 177.861 178.138 -0.277 25125 4886 1 8 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.746 -3.546 25125 4887 1 8 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.684 -0.798 25125 4888 1 8 . 1 1 15 15 ILE H H 15 7.206 7.206 8.467 -1.261 25125 4889 1 8 . 1 1 16 16 ARG N N 16 116.694 116.694 118.752 -2.058 25125 4890 1 8 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.250 -0.527 25125 4891 1 8 . 1 1 16 16 ARG C C 16 177.448 177.448 178.431 -0.983 25125 4892 1 8 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.627 2.946 25125 4893 1 8 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.580 0.867 25125 4894 1 8 . 1 1 16 16 ARG H H 16 7.562 7.562 7.843 -0.281 25125 4895 1 8 . 1 1 17 17 TRP N N 17 116.848 116.848 122.939 -6.091 25125 4896 1 8 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.350 0.121 25125 4897 1 8 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.191 -0.751 25125 4898 1 8 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.523 -0.232 25125 4899 1 8 . 1 1 17 17 TRP H H 17 8.005 8.005 7.979 0.026 25125 4900 1 8 . 1 1 18 18 VAL N N 18 116.964 116.964 119.822 -2.858 25125 4901 1 8 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.983 0.692 25125 4902 1 8 . 1 1 18 18 VAL C C 18 179.181 179.181 177.624 1.557 25125 4903 1 8 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.592 0.116 25125 4904 1 8 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.469 0.168 25125 4905 1 8 . 1 1 18 18 VAL H H 18 8.110 8.110 8.610 -0.500 25125 4906 1 8 . 1 1 19 19 LEU N N 19 120.186 120.186 117.965 2.221 25125 4907 1 8 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.088 -0.013 25125 4908 1 8 . 1 1 19 19 LEU C C 19 177.778 177.778 179.040 -1.262 25125 4909 1 8 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.665 0.157 25125 4910 1 8 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.456 0.325 25125 4911 1 8 . 1 1 19 19 LEU H H 19 8.073 8.073 7.481 0.592 25125 4912 1 8 . 1 1 20 20 GLU N N 20 120.193 120.193 119.580 0.613 25125 4913 1 8 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.174 -0.233 25125 4914 1 8 . 1 1 20 20 GLU C C 20 178.603 178.603 178.957 -0.354 25125 4915 1 8 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.562 2.048 25125 4916 1 8 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.542 -0.454 25125 4917 1 8 . 1 1 20 20 GLU H H 20 8.387 8.387 7.999 0.388 25125 4918 1 8 . 1 1 21 21 ARG N N 21 116.076 116.076 118.532 -2.456 25125 4919 1 8 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.876 0.017 25125 4920 1 8 . 1 1 21 21 ARG C C 21 179.676 179.676 178.577 1.099 25125 4921 1 8 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.638 0.811 25125 4922 1 8 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.678 1.175 25125 4923 1 8 . 1 1 21 21 ARG H H 21 7.602 7.602 8.047 -0.445 25125 4924 1 8 . 1 1 22 22 ALA N N 22 122.405 122.405 122.805 -0.400 25125 4925 1 8 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.084 0.013 25125 4926 1 8 . 1 1 22 22 ALA C C 22 180.501 180.501 179.153 1.348 25125 4927 1 8 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.743 -0.165 25125 4928 1 8 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.144 1.088 25125 4929 1 8 . 1 1 22 22 ALA H H 22 7.992 7.992 7.686 0.306 25125 4930 1 8 . 1 1 23 23 LEU N N 23 118.026 118.026 118.311 -0.285 25125 4931 1 8 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.271 -0.270 25125 4932 1 8 . 1 1 23 23 LEU C C 23 178.878 178.878 179.218 -0.340 25125 4933 1 8 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.157 1.564 25125 4934 1 8 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.153 -2.498 25125 4935 1 8 . 1 1 23 23 LEU H H 23 8.825 8.825 7.640 1.185 25125 4936 1 8 . 1 1 24 24 ALA N N 24 122.159 122.159 122.383 -0.224 25125 4937 1 8 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.990 0.643 25125 4938 1 8 . 1 1 24 24 ALA C C 24 183.141 183.141 179.315 3.826 25125 4939 1 8 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.776 -0.029 25125 4940 1 8 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.341 -0.639 25125 4941 1 8 . 1 1 24 24 ALA H H 24 8.125 8.125 8.466 -0.341 25125 4942 1 8 . 1 1 25 25 GLY N N 25 106.891 106.891 104.291 2.600 25125 4943 1 8 . 1 1 25 25 GLY C C 25 174.286 174.286 174.112 0.174 25125 4944 1 8 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.038 1.383 25125 4945 1 8 . 1 1 25 25 GLY H H 25 7.870 7.870 7.969 -0.099 25125 4946 1 8 . 1 1 26 26 ALA N N 26 121.819 121.819 123.508 -1.689 25125 4947 1 8 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.720 -0.221 25125 4948 1 8 . 1 1 26 26 ALA C C 26 176.953 176.953 177.298 -0.345 25125 4949 1 8 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.377 -0.858 25125 4950 1 8 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.285 -1.563 25125 4951 1 8 . 1 1 26 26 ALA H H 26 7.285 7.285 7.745 -0.460 25125 4952 1 8 . 1 1 27 27 GLY N N 27 106.197 106.197 106.276 -0.079 25125 4953 1 8 . 1 1 27 27 GLY C C 27 173.956 173.956 172.523 1.433 25125 4954 1 8 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.468 -0.152 25125 4955 1 8 . 1 1 27 27 GLY H H 27 7.824 7.824 7.965 -0.141 25125 4956 1 8 . 1 1 28 28 LEU N N 28 120.291 120.291 118.962 1.329 25125 4957 1 8 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.766 -0.192 25125 4958 1 8 . 1 1 28 28 LEU C C 28 175.881 175.881 176.275 -0.394 25125 4959 1 8 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.429 0.214 25125 4960 1 8 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.668 -2.183 25125 4961 1 8 . 1 1 28 28 LEU H H 28 7.678 7.678 7.431 0.247 25125 4962 1 8 . 1 1 29 29 THR N N 29 118.040 118.040 116.310 1.730 25125 4963 1 8 . 1 1 29 29 THR HA H 29 4.335 4.335 4.178 0.157 25125 4964 1 8 . 1 1 29 29 THR C C 29 173.186 173.186 173.750 -0.564 25125 4965 1 8 . 1 1 29 29 THR CA C 29 62.479 62.479 64.126 -1.647 25125 4966 1 8 . 1 1 29 29 THR CB C 29 69.465 69.465 69.634 -0.169 25125 4967 1 8 . 1 1 29 29 THR H H 29 8.527 8.527 8.505 0.022 25125 4968 1 8 . 1 1 30 30 CYS N N 30 128.387 128.387 121.875 6.512 25125 4969 1 8 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.566 0.377 25125 4970 1 8 . 1 1 30 30 CYS C C 30 173.846 173.846 174.325 -0.479 25125 4971 1 8 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.991 -1.629 25125 4972 1 8 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.196 -1.716 25125 4973 1 8 . 1 1 30 30 CYS H H 30 8.968 8.968 8.541 0.427 25125 4974 1 8 . 1 1 31 31 THR N N 31 126.481 126.481 123.674 2.807 25125 4975 1 8 . 1 1 31 31 THR HA H 31 4.433 4.433 4.407 0.026 25125 4976 1 8 . 1 1 31 31 THR C C 31 172.609 172.609 172.706 -0.097 25125 4977 1 8 . 1 1 31 31 THR CA C 31 61.951 61.951 61.274 0.677 25125 4978 1 8 . 1 1 31 31 THR CB C 31 70.567 70.567 69.876 0.691 25125 4979 1 8 . 1 1 31 31 THR H H 31 8.614 8.614 8.608 0.006 25125 4980 1 8 . 1 1 32 32 THR N N 32 116.418 116.418 118.519 -2.101 25125 4981 1 8 . 1 1 32 32 THR HA H 32 5.330 5.330 4.854 0.476 25125 4982 1 8 . 1 1 32 32 THR C C 32 172.306 172.306 173.260 -0.954 25125 4983 1 8 . 1 1 32 32 THR CA C 32 59.173 59.173 60.840 -1.667 25125 4984 1 8 . 1 1 32 32 THR CB C 32 70.917 70.917 69.844 1.073 25125 4985 1 8 . 1 1 32 32 THR H H 32 8.299 8.299 8.272 0.027 25125 4986 1 8 . 1 1 33 33 PHE N N 33 118.067 118.067 124.002 -5.935 25125 4987 1 8 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.954 -0.311 25125 4988 1 8 . 1 1 33 33 PHE C C 33 174.341 174.341 174.779 -0.438 25125 4989 1 8 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.564 -0.032 25125 4990 1 8 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.485 0.824 25125 4991 1 8 . 1 1 33 33 PHE H H 33 8.890 8.890 8.802 0.088 25125 4992 1 8 . 1 1 34 34 GLU N N 34 118.499 118.499 118.251 0.248 25125 4993 1 8 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.864 -0.510 25125 4994 1 8 . 1 1 34 34 GLU C C 34 175.414 175.414 174.903 0.511 25125 4995 1 8 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.957 0.735 25125 4996 1 8 . 1 1 34 34 GLU CB C 34 31.467 31.467 29.598 1.869 25125 4997 1 8 . 1 1 34 34 GLU H H 34 9.023 9.023 9.141 -0.118 25125 4998 1 8 . 1 1 35 35 ASN N N 35 109.907 109.907 119.042 -9.135 25125 4999 1 8 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.677 0.104 25125 5000 1 8 . 1 1 35 35 ASN C C 35 175.139 175.139 174.549 0.590 25125 5001 1 8 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.717 -1.571 25125 5002 1 8 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.004 1.319 25125 5003 1 8 . 1 1 35 35 ASN H H 35 7.401 7.401 8.529 -1.128 25125 5004 1 8 . 1 1 36 36 GLY N N 36 106.739 106.739 106.333 0.406 25125 5005 1 8 . 1 1 36 36 GLY C C 36 174.616 174.616 175.415 -0.799 25125 5006 1 8 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.492 1.524 25125 5007 1 8 . 1 1 36 36 GLY H H 36 8.877 8.877 8.068 0.809 25125 5008 1 8 . 1 1 37 37 ASN N N 37 120.462 120.462 122.575 -2.113 25125 5009 1 8 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.363 -0.001 25125 5010 1 8 . 1 1 37 37 ASN C C 37 178.686 178.686 176.571 2.115 25125 5011 1 8 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.074 0.458 25125 5012 1 8 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.727 -0.143 25125 5013 1 8 . 1 1 37 37 ASN H H 37 8.366 8.366 8.517 -0.151 25125 5014 1 8 . 1 1 38 38 GLU N N 38 119.360 119.360 118.855 0.505 25125 5015 1 8 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.160 -0.090 25125 5016 1 8 . 1 1 38 38 GLU C C 38 179.263 179.263 177.486 1.777 25125 5017 1 8 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.204 0.428 25125 5018 1 8 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.675 1.857 25125 5019 1 8 . 1 1 38 38 GLU H H 38 7.990 7.990 8.361 -0.371 25125 5020 1 8 . 1 1 39 39 VAL N N 39 119.259 119.259 119.113 0.146 25125 5021 1 8 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.182 -0.414 25125 5022 1 8 . 1 1 39 39 VAL C C 39 176.431 176.431 177.248 -0.817 25125 5023 1 8 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.311 -0.368 25125 5024 1 8 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.815 -0.740 25125 5025 1 8 . 1 1 39 39 VAL H H 39 6.883 6.883 7.623 -0.740 25125 5026 1 8 . 1 1 40 40 LEU N N 40 119.627 119.627 121.789 -2.162 25125 5027 1 8 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.009 -0.082 25125 5028 1 8 . 1 1 40 40 LEU C C 40 179.538 179.538 178.162 1.376 25125 5029 1 8 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.050 -0.111 25125 5030 1 8 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.439 -0.371 25125 5031 1 8 . 1 1 40 40 LEU H H 40 7.692 7.692 7.539 0.153 25125 5032 1 8 . 1 1 41 41 ALA N N 41 120.051 120.051 120.100 -0.049 25125 5033 1 8 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.148 -0.008 25125 5034 1 8 . 1 1 41 41 ALA C C 41 180.528 180.528 179.684 0.844 25125 5035 1 8 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.544 0.106 25125 5036 1 8 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.932 -0.066 25125 5037 1 8 . 1 1 41 41 ALA H H 41 7.553 7.553 7.573 -0.020 25125 5038 1 8 . 1 1 42 42 ALA N N 42 122.731 122.731 122.476 0.255 25125 5039 1 8 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.138 0.061 25125 5040 1 8 . 1 1 42 42 ALA C C 42 180.198 180.198 180.297 -0.099 25125 5041 1 8 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.546 0.486 25125 5042 1 8 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.226 1.173 25125 5043 1 8 . 1 1 42 42 ALA H H 42 7.604 7.604 7.215 0.389 25125 5044 1 8 . 1 1 43 43 LEU N N 43 119.131 119.131 118.475 0.656 25125 5045 1 8 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.973 1.233 25125 5046 1 8 . 1 1 43 43 LEU C C 43 177.421 177.421 178.500 -1.079 25125 5047 1 8 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.571 -2.026 25125 5048 1 8 . 1 1 43 43 LEU CB C 43 42.604 42.604 40.904 1.700 25125 5049 1 8 . 1 1 43 43 LEU H H 43 8.288 8.288 8.013 0.275 25125 5050 1 8 . 1 1 44 44 ALA N N 44 119.065 119.065 119.419 -0.354 25125 5051 1 8 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.186 0.043 25125 5052 1 8 . 1 1 44 44 ALA C C 44 178.686 178.686 178.617 0.069 25125 5053 1 8 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.882 0.356 25125 5054 1 8 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.323 0.194 25125 5055 1 8 . 1 1 44 44 ALA H H 44 7.302 7.302 7.819 -0.517 25125 5056 1 8 . 1 1 45 45 SER N N 45 108.656 108.656 115.072 -6.416 25125 5057 1 8 . 1 1 45 45 SER HA H 45 4.742 4.742 4.324 0.418 25125 5058 1 8 . 1 1 45 45 SER C C 45 173.296 173.296 176.523 -3.227 25125 5059 1 8 . 1 1 45 45 SER CA C 45 58.656 58.656 60.780 -2.124 25125 5060 1 8 . 1 1 45 45 SER CB C 45 65.407 65.407 63.813 1.594 25125 5061 1 8 . 1 1 45 45 SER H H 45 7.728 7.728 8.230 -0.502 25125 5062 1 8 . 1 1 46 46 LYS N N 46 123.016 123.016 116.965 6.051 25125 5063 1 8 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.605 -0.019 25125 5064 1 8 . 1 1 46 46 LYS C C 46 172.719 172.719 175.620 -2.901 25125 5065 1 8 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.511 -0.999 25125 5066 1 8 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.258 1.966 25125 5067 1 8 . 1 1 46 46 LYS H H 46 8.101 8.101 8.013 0.088 25125 5068 1 8 . 1 1 47 47 THR N N 47 111.780 111.780 114.691 -2.911 25125 5069 1 8 . 1 1 47 47 THR HA H 47 4.282 4.282 3.897 0.385 25125 5070 1 8 . 1 1 47 47 THR CA C 47 57.806 57.806 62.133 -4.327 25125 5071 1 8 . 1 1 47 47 THR CB C 47 70.594 70.594 67.986 2.608 25125 5072 1 8 . 1 1 47 47 THR H H 47 7.677 7.677 7.764 -0.087 25125 5073 1 8 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.923 -0.018 25125 5074 1 8 . 1 1 48 48 PRO C C 48 172.966 172.966 175.621 -2.655 25125 5075 1 8 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.029 -1.164 25125 5076 1 8 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.765 -1.488 25125 5077 1 8 . 1 1 49 49 ASP N N 49 115.035 115.035 118.555 -3.520 25125 5078 1 8 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.569 -0.125 25125 5079 1 8 . 1 1 49 49 ASP C C 49 175.634 175.634 175.013 0.621 25125 5080 1 8 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.386 1.061 25125 5081 1 8 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.914 -0.402 25125 5082 1 8 . 1 1 49 49 ASP H H 49 8.502 8.502 8.309 0.193 25125 5083 1 8 . 1 1 50 50 VAL N N 50 112.082 112.082 115.943 -3.861 25125 5084 1 8 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.410 -0.130 25125 5085 1 8 . 1 1 50 50 VAL C C 50 171.454 171.454 172.985 -1.531 25125 5086 1 8 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.091 -1.529 25125 5087 1 8 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.017 0.619 25125 5088 1 8 . 1 1 50 50 VAL H H 50 7.173 7.173 7.077 0.096 25125 5089 1 8 . 1 1 51 51 LEU N N 51 128.247 128.247 127.389 0.858 25125 5090 1 8 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.105 0.214 25125 5091 1 8 . 1 1 51 51 LEU C C 51 173.104 173.104 175.329 -2.225 25125 5092 1 8 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.863 -0.645 25125 5093 1 8 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.248 1.258 25125 5094 1 8 . 1 1 51 51 LEU H H 51 8.059 8.059 8.141 -0.082 25125 5095 1 8 . 1 1 52 52 LEU N N 52 128.407 128.407 120.861 7.546 25125 5096 1 8 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.945 0.556 25125 5097 1 8 . 1 1 52 52 LEU C C 52 175.414 175.414 175.965 -0.551 25125 5098 1 8 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.335 -0.012 25125 5099 1 8 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.234 1.287 25125 5100 1 8 . 1 1 52 52 LEU H H 52 9.242 9.242 8.472 0.770 25125 5101 1 8 . 1 1 53 53 SER N N 53 114.946 114.946 117.119 -2.173 25125 5102 1 8 . 1 1 53 53 SER HA H 53 5.595 5.595 4.406 1.189 25125 5103 1 8 . 1 1 53 53 SER C C 53 174.644 174.644 173.809 0.835 25125 5104 1 8 . 1 1 53 53 SER CA C 53 55.954 55.954 58.704 -2.750 25125 5105 1 8 . 1 1 53 53 SER CB C 53 66.473 66.473 64.772 1.700 25125 5106 1 8 . 1 1 53 53 SER H H 53 8.695 8.695 7.993 0.702 25125 5107 1 8 . 1 1 54 54 ASP N N 54 128.341 128.341 124.159 4.182 25125 5108 1 8 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.866 0.459 25125 5109 1 8 . 1 1 54 54 ASP C C 54 176.816 176.816 175.903 0.913 25125 5110 1 8 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.374 1.119 25125 5111 1 8 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.293 -0.965 25125 5112 1 8 . 1 1 54 54 ASP H H 54 7.886 7.886 8.215 -0.329 25125 5113 1 8 . 1 1 55 55 ILE N N 55 121.229 121.229 119.743 1.486 25125 5114 1 8 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.802 0.383 25125 5115 1 8 . 1 1 55 55 ILE C C 55 175.084 175.084 173.874 1.210 25125 5116 1 8 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.172 -0.630 25125 5117 1 8 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.786 3.243 25125 5118 1 8 . 1 1 55 55 ILE H H 55 8.722 8.722 7.648 1.074 25125 5119 1 8 . 1 1 56 56 ARG N N 56 124.188 124.188 120.573 3.615 25125 5120 1 8 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.438 0.067 25125 5121 1 8 . 1 1 56 56 ARG C C 56 175.661 175.661 174.492 1.169 25125 5122 1 8 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.811 -0.370 25125 5123 1 8 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.238 -0.875 25125 5124 1 8 . 1 1 56 56 ARG H H 56 8.499 8.499 8.453 0.046 25125 5125 1 8 . 1 1 57 57 MET N N 57 122.581 122.581 118.018 4.563 25125 5126 1 8 . 1 1 57 57 MET HA H 57 4.821 4.821 5.264 -0.443 25125 5127 1 8 . 1 1 57 57 MET CA C 57 53.132 53.132 52.606 0.526 25125 5128 1 8 . 1 1 57 57 MET CB C 57 33.445 33.445 33.949 -0.504 25125 5129 1 8 . 1 1 57 57 MET H H 57 7.956 7.956 7.818 0.138 25125 5130 1 8 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.478 -0.085 25125 5131 1 8 . 1 1 58 58 PRO C C 58 177.806 177.806 178.220 -0.414 25125 5132 1 8 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.157 0.342 25125 5133 1 8 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.373 -0.566 25125 5134 1 8 . 1 1 59 59 GLY N N 59 111.082 111.082 107.465 3.617 25125 5135 1 8 . 1 1 59 59 GLY C C 59 173.626 173.626 174.535 -0.909 25125 5136 1 8 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.627 -0.037 25125 5137 1 8 . 1 1 59 59 GLY H H 59 8.653 8.653 8.464 0.189 25125 5138 1 8 . 1 1 60 60 MET N N 60 120.052 120.052 122.675 -2.623 25125 5139 1 8 . 1 1 60 60 MET HA H 60 4.525 4.525 4.485 0.040 25125 5140 1 8 . 1 1 60 60 MET C C 60 173.956 173.956 175.141 -1.185 25125 5141 1 8 . 1 1 60 60 MET CA C 60 55.047 55.047 55.547 -0.500 25125 5142 1 8 . 1 1 60 60 MET CB C 60 34.506 34.506 33.845 0.661 25125 5143 1 8 . 1 1 60 60 MET H H 60 7.968 7.968 8.039 -0.071 25125 5144 1 8 . 1 1 61 61 ASP N N 61 121.306 121.306 120.049 1.257 25125 5145 1 8 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.724 -0.020 25125 5146 1 8 . 1 1 61 61 ASP C C 61 176.761 176.761 177.269 -0.508 25125 5147 1 8 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.622 0.107 25125 5148 1 8 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.850 0.219 25125 5149 1 8 . 1 1 61 61 ASP H H 61 8.379 8.379 8.360 0.019 25125 5150 1 8 . 1 1 62 62 GLY N N 62 110.874 110.874 108.969 1.905 25125 5151 1 8 . 1 1 62 62 GLY C C 62 175.194 175.194 175.873 -0.679 25125 5152 1 8 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.840 0.261 25125 5153 1 8 . 1 1 62 62 GLY H H 62 8.707 8.707 8.380 0.327 25125 5154 1 8 . 1 1 63 63 LEU N N 63 121.299 121.299 120.786 0.513 25125 5155 1 8 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.594 -0.417 25125 5156 1 8 . 1 1 63 63 LEU C C 63 178.356 178.356 178.171 0.185 25125 5157 1 8 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.723 1.155 25125 5158 1 8 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.525 0.713 25125 5159 1 8 . 1 1 63 63 LEU H H 63 8.045 8.045 7.988 0.057 25125 5160 1 8 . 1 1 64 64 ALA N N 64 122.741 122.741 123.054 -0.313 25125 5161 1 8 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.089 -0.027 25125 5162 1 8 . 1 1 64 64 ALA C C 64 180.556 180.556 179.501 1.055 25125 5163 1 8 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.178 -0.563 25125 5164 1 8 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.784 0.216 25125 5165 1 8 . 1 1 64 64 ALA H H 64 7.859 7.859 8.213 -0.354 25125 5166 1 8 . 1 1 65 65 LEU N N 65 120.287 120.287 114.404 5.883 25125 5167 1 8 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.303 -0.241 25125 5168 1 8 . 1 1 65 65 LEU C C 65 178.191 178.191 178.306 -0.115 25125 5169 1 8 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.653 1.366 25125 5170 1 8 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.966 -0.728 25125 5171 1 8 . 1 1 65 65 LEU H H 65 8.022 8.022 7.786 0.236 25125 5172 1 8 . 1 1 66 66 LEU N N 66 118.738 118.738 120.397 -1.659 25125 5173 1 8 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.216 -0.358 25125 5174 1 8 . 1 1 66 66 LEU C C 66 178.631 178.631 178.643 -0.012 25125 5175 1 8 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.294 2.052 25125 5176 1 8 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.777 0.461 25125 5177 1 8 . 1 1 66 66 LEU H H 66 8.101 8.101 7.738 0.363 25125 5178 1 8 . 1 1 67 67 LYS N N 67 117.842 117.842 117.592 0.250 25125 5179 1 8 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.146 -0.164 25125 5180 1 8 . 1 1 67 67 LYS C C 67 179.263 179.263 178.293 0.970 25125 5181 1 8 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.777 1.020 25125 5182 1 8 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.234 -0.027 25125 5183 1 8 . 1 1 67 67 LYS H H 67 8.010 8.010 8.145 -0.135 25125 5184 1 8 . 1 1 68 68 GLN N N 68 118.875 118.875 117.938 0.937 25125 5185 1 8 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.246 -0.190 25125 5186 1 8 . 1 1 68 68 GLN C C 68 179.071 179.071 177.506 1.565 25125 5187 1 8 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.058 1.015 25125 5188 1 8 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.893 -0.282 25125 5189 1 8 . 1 1 68 68 GLN H H 68 7.809 7.809 7.557 0.252 25125 5190 1 8 . 1 1 69 69 ILE N N 69 120.377 120.377 121.309 -0.932 25125 5191 1 8 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.928 -0.398 25125 5192 1 8 . 1 1 69 69 ILE C C 69 177.421 177.421 177.713 -0.292 25125 5193 1 8 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.694 1.184 25125 5194 1 8 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.898 -0.314 25125 5195 1 8 . 1 1 69 69 ILE H H 69 8.481 8.481 7.501 0.980 25125 5196 1 8 . 1 1 70 70 LYS N N 70 117.873 117.873 116.858 1.015 25125 5197 1 8 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.180 -0.220 25125 5198 1 8 . 1 1 70 70 LYS C C 70 178.053 178.053 177.882 0.171 25125 5199 1 8 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.126 -1.038 25125 5200 1 8 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.803 -0.591 25125 5201 1 8 . 1 1 70 70 LYS H H 70 8.220 8.220 8.033 0.187 25125 5202 1 8 . 1 1 71 71 GLN N N 71 116.315 116.315 117.504 -1.189 25125 5203 1 8 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.256 -0.264 25125 5204 1 8 . 1 1 71 71 GLN C C 71 177.366 177.366 177.932 -0.566 25125 5205 1 8 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.635 0.555 25125 5206 1 8 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.331 -0.666 25125 5207 1 8 . 1 1 71 71 GLN H H 71 7.601 7.601 7.512 0.089 25125 5208 1 8 . 1 1 72 72 ARG N N 72 116.530 116.530 117.400 -0.870 25125 5209 1 8 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.113 -0.083 25125 5210 1 8 . 1 1 72 72 ARG C C 72 175.826 175.826 175.676 0.150 25125 5211 1 8 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.015 0.207 25125 5212 1 8 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.791 0.011 25125 5213 1 8 . 1 1 72 72 ARG H H 72 7.301 7.301 8.175 -0.874 25125 5214 1 8 . 1 1 73 73 HIS N N 73 116.755 116.755 116.787 -0.032 25125 5215 1 8 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.827 0.133 25125 5216 1 8 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.184 0.034 25125 5217 1 8 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.340 0.222 25125 5218 1 8 . 1 1 73 73 HIS H H 73 8.331 8.331 7.794 0.537 25125 5219 1 8 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.527 -0.028 25125 5220 1 8 . 1 1 74 74 PRO C C 74 178.466 178.466 177.503 0.963 25125 5221 1 8 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.648 0.465 25125 5222 1 8 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.278 -0.183 25125 5223 1 8 . 1 1 75 75 MET N N 75 114.814 114.814 116.410 -1.596 25125 5224 1 8 . 1 1 75 75 MET HA H 75 4.567 4.567 4.399 0.168 25125 5225 1 8 . 1 1 75 75 MET C C 75 176.046 176.046 175.723 0.323 25125 5226 1 8 . 1 1 75 75 MET CA C 75 54.266 54.266 55.868 -1.602 25125 5227 1 8 . 1 1 75 75 MET CB C 75 31.288 31.288 32.566 -1.278 25125 5228 1 8 . 1 1 75 75 MET H H 75 8.623 8.623 7.827 0.796 25125 5229 1 8 . 1 1 76 76 LEU N N 76 125.533 125.533 121.846 3.687 25125 5230 1 8 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.637 -0.332 25125 5231 1 8 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.442 1.670 25125 5232 1 8 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.338 1.347 25125 5233 1 8 . 1 1 76 76 LEU H H 76 7.337 7.337 7.108 0.229 25125 5234 1 8 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.554 -0.108 25125 5235 1 8 . 1 1 77 77 PRO C C 77 174.974 174.974 175.473 -0.499 25125 5236 1 8 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.370 0.457 25125 5237 1 8 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.416 -0.694 25125 5238 1 8 . 1 1 78 78 VAL N N 78 123.779 123.779 120.088 3.691 25125 5239 1 8 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.566 0.458 25125 5240 1 8 . 1 1 78 78 VAL C C 78 175.441 175.441 175.252 0.189 25125 5241 1 8 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.523 -0.330 25125 5242 1 8 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.054 -1.760 25125 5243 1 8 . 1 1 78 78 VAL H H 78 8.317 8.317 8.061 0.256 25125 5244 1 8 . 1 1 79 79 ILE N N 79 128.334 128.334 120.840 7.494 25125 5245 1 8 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.792 -0.311 25125 5246 1 8 . 1 1 79 79 ILE C C 79 174.479 174.479 174.482 -0.003 25125 5247 1 8 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.903 -0.381 25125 5248 1 8 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.255 -2.292 25125 5249 1 8 . 1 1 79 79 ILE H H 79 9.292 9.292 8.229 1.063 25125 5250 1 8 . 1 1 80 80 ILE N N 80 127.023 127.023 123.107 3.916 25125 5251 1 8 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.352 0.507 25125 5252 1 8 . 1 1 80 80 ILE C C 80 175.029 175.029 174.900 0.129 25125 5253 1 8 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.344 -1.187 25125 5254 1 8 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.858 -1.914 25125 5255 1 8 . 1 1 80 80 ILE H H 80 7.938 7.938 8.718 -0.780 25125 5256 1 8 . 1 1 81 81 MET N N 81 127.255 127.255 125.791 1.464 25125 5257 1 8 . 1 1 81 81 MET HA H 81 5.521 5.521 5.624 -0.103 25125 5258 1 8 . 1 1 81 81 MET C C 81 174.534 174.534 175.498 -0.964 25125 5259 1 8 . 1 1 81 81 MET CA C 81 53.513 53.513 54.984 -1.471 25125 5260 1 8 . 1 1 81 81 MET CB C 81 35.483 35.483 35.580 -0.097 25125 5261 1 8 . 1 1 81 81 MET H H 81 8.801 8.801 8.285 0.516 25125 5262 1 8 . 1 1 82 82 THR N N 82 112.857 112.857 117.983 -5.126 25125 5263 1 8 . 1 1 82 82 THR HA H 82 4.914 4.914 4.489 0.425 25125 5264 1 8 . 1 1 82 82 THR C C 82 172.581 172.581 173.180 -0.599 25125 5265 1 8 . 1 1 82 82 THR CA C 82 59.561 59.561 63.145 -3.584 25125 5266 1 8 . 1 1 82 82 THR CB C 82 69.989 69.989 69.556 0.433 25125 5267 1 8 . 1 1 82 82 THR H H 82 7.623 7.623 8.306 -0.683 25125 5268 1 8 . 1 1 83 83 ALA N N 83 129.541 129.541 126.267 3.274 25125 5269 1 8 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.976 0.732 25125 5270 1 8 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.772 -1.234 25125 5271 1 8 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.252 1.895 25125 5272 1 8 . 1 1 83 83 ALA H H 83 9.149 9.149 8.293 0.856 25125 5273 1 8 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.604 -0.332 25125 5274 1 8 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.983 3.716 25125 5275 1 8 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.547 -0.529 25125 5276 1 8 . 1 1 85 85 SER N N 85 112.633 112.633 114.253 -1.620 25125 5277 1 8 . 1 1 85 85 SER HA H 85 4.198 4.198 4.441 -0.243 25125 5278 1 8 . 1 1 85 85 SER C C 85 174.506 174.506 173.191 1.315 25125 5279 1 8 . 1 1 85 85 SER CA C 85 59.823 59.823 58.647 1.176 25125 5280 1 8 . 1 1 85 85 SER CB C 85 62.693 62.693 64.112 -1.419 25125 5281 1 8 . 1 1 85 85 SER H H 85 8.224 8.224 7.209 1.015 25125 5282 1 8 . 1 1 86 86 ASP N N 86 120.886 120.886 120.929 -0.043 25125 5283 1 8 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.656 0.280 25125 5284 1 8 . 1 1 86 86 ASP C C 86 175.881 175.881 176.118 -0.237 25125 5285 1 8 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.869 -0.935 25125 5286 1 8 . 1 1 86 86 ASP CB C 86 42.003 42.003 42.307 -0.304 25125 5287 1 8 . 1 1 86 86 ASP H H 86 7.608 7.608 8.100 -0.492 25125 5288 1 8 . 1 1 87 87 LEU N N 87 121.913 121.913 120.783 1.130 25125 5289 1 8 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.577 0.342 25125 5290 1 8 . 1 1 87 87 LEU C C 87 177.586 177.586 177.942 -0.356 25125 5291 1 8 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.549 -0.712 25125 5292 1 8 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.469 0.846 25125 5293 1 8 . 1 1 87 87 LEU H H 87 7.498 7.498 8.112 -0.614 25125 5294 1 8 . 1 1 88 88 ASP N N 88 117.621 117.621 117.588 0.033 25125 5295 1 8 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.188 0.084 25125 5296 1 8 . 1 1 88 88 ASP C C 88 178.246 178.246 177.302 0.944 25125 5297 1 8 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.293 -0.483 25125 5298 1 8 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.425 -0.291 25125 5299 1 8 . 1 1 88 88 ASP H H 88 8.322 8.322 8.478 -0.156 25125 5300 1 8 . 1 1 89 89 ALA N N 89 122.874 122.874 121.061 1.813 25125 5301 1 8 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.344 -0.250 25125 5302 1 8 . 1 1 89 89 ALA C C 89 179.346 179.346 179.437 -0.091 25125 5303 1 8 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.304 -0.151 25125 5304 1 8 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.823 -0.562 25125 5305 1 8 . 1 1 89 89 ALA H H 89 7.838 7.838 7.501 0.337 25125 5306 1 8 . 1 1 90 90 ALA N N 90 121.673 121.673 122.066 -0.393 25125 5307 1 8 . 1 1 90 90 ALA HA H 90 3.933 3.933 3.960 -0.027 25125 5308 1 8 . 1 1 90 90 ALA C C 90 178.686 178.686 179.562 -0.876 25125 5309 1 8 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.043 -0.380 25125 5310 1 8 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.366 0.016 25125 5311 1 8 . 1 1 90 90 ALA H H 90 7.896 7.896 8.393 -0.497 25125 5312 1 8 . 1 1 91 91 VAL N N 91 117.749 117.749 117.401 0.348 25125 5313 1 8 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.982 -0.370 25125 5314 1 8 . 1 1 91 91 VAL C C 91 178.411 178.411 177.290 1.121 25125 5315 1 8 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.673 -1.492 25125 5316 1 8 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.784 -0.147 25125 5317 1 8 . 1 1 91 91 VAL H H 91 8.098 8.098 8.481 -0.383 25125 5318 1 8 . 1 1 92 92 SER N N 92 114.942 114.942 113.509 1.433 25125 5319 1 8 . 1 1 92 92 SER HA H 92 4.231 4.231 4.430 -0.199 25125 5320 1 8 . 1 1 92 92 SER C C 92 175.826 175.826 175.353 0.473 25125 5321 1 8 . 1 1 92 92 SER CA C 92 60.649 60.649 59.751 0.898 25125 5322 1 8 . 1 1 92 92 SER CB C 92 63.063 63.063 64.236 -1.173 25125 5323 1 8 . 1 1 92 92 SER H H 92 7.825 7.825 7.835 -0.010 25125 5324 1 8 . 1 1 93 93 ALA N N 93 122.580 122.580 122.758 -0.178 25125 5325 1 8 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.202 -0.145 25125 5326 1 8 . 1 1 93 93 ALA C C 93 178.906 178.906 179.609 -0.703 25125 5327 1 8 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.567 -0.250 25125 5328 1 8 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.710 -0.413 25125 5329 1 8 . 1 1 93 93 ALA H H 93 7.861 7.861 8.367 -0.506 25125 5330 1 8 . 1 1 94 94 TYR N N 94 118.447 118.447 120.436 -1.989 25125 5331 1 8 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.255 0.237 25125 5332 1 8 . 1 1 94 94 TYR C C 94 177.393 177.393 177.645 -0.252 25125 5333 1 8 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.960 -0.709 25125 5334 1 8 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.106 0.328 25125 5335 1 8 . 1 1 94 94 TYR H H 94 8.150 8.150 7.978 0.172 25125 5336 1 8 . 1 1 95 95 GLN N N 95 119.787 119.787 116.199 3.588 25125 5337 1 8 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.038 0.005 25125 5338 1 8 . 1 1 95 95 GLN C C 95 176.981 176.981 176.684 0.297 25125 5339 1 8 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.875 0.591 25125 5340 1 8 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.732 0.357 25125 5341 1 8 . 1 1 95 95 GLN H H 95 8.271 8.271 8.059 0.212 25125 5342 1 8 . 1 1 96 96 GLN N N 96 117.878 117.878 118.369 -0.491 25125 5343 1 8 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.213 0.132 25125 5344 1 8 . 1 1 96 96 GLN C C 96 175.854 175.854 176.472 -0.618 25125 5345 1 8 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.698 -0.527 25125 5346 1 8 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.588 -0.113 25125 5347 1 8 . 1 1 96 96 GLN H H 96 7.944 7.944 7.819 0.125 25125 5348 1 8 . 1 1 97 97 GLY N N 97 106.670 106.670 105.662 1.008 25125 5349 1 8 . 1 1 97 97 GLY C C 97 174.231 174.231 173.159 1.072 25125 5350 1 8 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.746 0.740 25125 5351 1 8 . 1 1 97 97 GLY H H 97 7.949 7.949 8.195 -0.246 25125 5352 1 8 . 1 1 98 98 ALA N N 98 122.898 122.898 121.022 1.876 25125 5353 1 8 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.409 -0.034 25125 5354 1 8 . 1 1 98 98 ALA C C 98 175.991 175.991 175.661 0.330 25125 5355 1 8 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.048 2.119 25125 5356 1 8 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.272 -1.303 25125 5357 1 8 . 1 1 98 98 ALA H H 98 7.808 7.808 7.191 0.617 25125 5358 1 8 . 1 1 99 99 PHE N N 99 123.484 123.484 118.968 4.516 25125 5359 1 8 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.445 -0.095 25125 5360 1 8 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.612 1.844 25125 5361 1 8 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.256 -0.816 25125 5362 1 8 . 1 1 99 99 PHE H H 99 7.704 7.704 8.270 -0.566 25125 5363 1 8 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.938 0.566 25125 5364 1 8 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.081 -1.599 25125 5365 1 8 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.497 3.703 25125 5366 1 8 . 1 1 101 101 TYR N N 101 118.148 118.148 121.907 -3.759 25125 5367 1 8 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.492 0.956 25125 5368 1 8 . 1 1 101 101 TYR C C 101 173.159 173.159 174.174 -1.015 25125 5369 1 8 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.809 -0.822 25125 5370 1 8 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.075 2.823 25125 5371 1 8 . 1 1 101 101 TYR H H 101 9.546 9.546 7.587 1.959 25125 5372 1 8 . 1 1 102 102 LEU N N 102 124.100 124.100 120.865 3.235 25125 5373 1 8 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.079 -0.359 25125 5374 1 8 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.135 -0.635 25125 5375 1 8 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.756 -0.695 25125 5376 1 8 . 1 1 102 102 LEU H H 102 8.901 8.901 8.705 0.196 25125 5377 1 8 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.678 0.215 25125 5378 1 8 . 1 1 103 103 PRO C C 103 175.524 175.524 175.378 0.146 25125 5379 1 8 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.400 -0.515 25125 5380 1 8 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.129 -0.322 25125 5381 1 8 . 1 1 104 104 LYS N N 104 118.848 118.848 121.104 -2.256 25125 5382 1 8 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.889 -0.376 25125 5383 1 8 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.766 -0.548 25125 5384 1 8 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.129 1.615 25125 5385 1 8 . 1 1 104 104 LYS H H 104 8.279 8.279 8.091 0.188 25125 5386 1 8 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.452 -0.153 25125 5387 1 8 . 1 1 105 105 PRO C C 105 175.001 175.001 175.327 -0.326 25125 5388 1 8 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.627 -0.233 25125 5389 1 8 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.162 1.933 25125 5390 1 8 . 1 1 106 106 PHE N N 106 116.607 116.607 114.209 2.398 25125 5391 1 8 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.711 0.459 25125 5392 1 8 . 1 1 106 106 PHE C C 106 175.221 175.221 173.847 1.374 25125 5393 1 8 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.931 -2.495 25125 5394 1 8 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.400 0.000 25125 5395 1 8 . 1 1 106 106 PHE H H 106 7.457 7.457 7.533 -0.076 25125 5396 1 8 . 1 1 107 107 ASP N N 107 122.214 122.214 122.006 0.208 25125 5397 1 8 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.071 -0.239 25125 5398 1 8 . 1 1 107 107 ASP C C 107 177.778 177.778 177.147 0.631 25125 5399 1 8 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.630 -0.388 25125 5400 1 8 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.213 1.384 25125 5401 1 8 . 1 1 107 107 ASP H H 107 9.022 9.022 8.796 0.226 25125 5402 1 8 . 1 1 108 108 ILE N N 108 127.706 127.706 125.163 2.543 25125 5403 1 8 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.761 0.204 25125 5404 1 8 . 1 1 108 108 ILE C C 108 176.046 176.046 177.494 -1.448 25125 5405 1 8 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.900 -1.911 25125 5406 1 8 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.140 -0.386 25125 5407 1 8 . 1 1 108 108 ILE H H 108 8.860 8.860 8.779 0.081 25125 5408 1 8 . 1 1 109 109 ASP N N 109 120.058 120.058 119.238 0.820 25125 5409 1 8 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.378 0.010 25125 5410 1 8 . 1 1 109 109 ASP C C 109 179.786 179.786 178.761 1.025 25125 5411 1 8 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.642 -0.148 25125 5412 1 8 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.612 -0.558 25125 5413 1 8 . 1 1 109 109 ASP H H 109 8.079 8.079 8.667 -0.588 25125 5414 1 8 . 1 1 110 110 GLU N N 110 121.559 121.559 119.270 2.289 25125 5415 1 8 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.174 -0.106 25125 5416 1 8 . 1 1 110 110 GLU C C 110 179.043 179.043 178.548 0.495 25125 5417 1 8 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.459 0.367 25125 5418 1 8 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.071 -0.728 25125 5419 1 8 . 1 1 110 110 GLU H H 110 8.012 8.012 8.082 -0.070 25125 5420 1 8 . 1 1 111 111 ALA N N 111 122.267 122.267 123.602 -1.335 25125 5421 1 8 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.965 -0.211 25125 5422 1 8 . 1 1 111 111 ALA C C 111 178.493 178.493 179.586 -1.093 25125 5423 1 8 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.321 -0.149 25125 5424 1 8 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.249 0.133 25125 5425 1 8 . 1 1 111 111 ALA H H 111 7.897 7.897 8.144 -0.247 25125 5426 1 8 . 1 1 112 112 VAL N N 112 116.527 116.527 118.028 -1.501 25125 5427 1 8 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.582 -0.415 25125 5428 1 8 . 1 1 112 112 VAL C C 112 177.201 177.201 177.806 -0.605 25125 5429 1 8 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.688 0.457 25125 5430 1 8 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.295 0.257 25125 5431 1 8 . 1 1 112 112 VAL H H 112 8.018 8.018 8.353 -0.335 25125 5432 1 8 . 1 1 113 113 ALA N N 113 119.895 119.895 120.564 -0.669 25125 5433 1 8 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.088 0.050 25125 5434 1 8 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.383 0.449 25125 5435 1 8 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.764 -0.892 25125 5436 1 8 . 1 1 113 113 ALA H H 113 7.673 7.673 7.344 0.329 25125 5437 1 8 . 1 1 114 114 LEU N N 114 120.650 120.650 120.632 0.018 25125 5438 1 8 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.094 -0.011 25125 5439 1 8 . 1 1 114 114 LEU C C 114 178.466 178.466 178.526 -0.060 25125 5440 1 8 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.716 0.304 25125 5441 1 8 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.040 -0.207 25125 5442 1 8 . 1 1 114 114 LEU H H 114 7.840 7.840 7.767 0.073 25125 5443 1 8 . 1 1 115 115 VAL N N 115 119.480 119.480 118.299 1.181 25125 5444 1 8 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.429 -0.217 25125 5445 1 8 . 1 1 115 115 VAL C C 115 177.448 177.448 176.987 0.461 25125 5446 1 8 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.035 1.166 25125 5447 1 8 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.946 -1.274 25125 5448 1 8 . 1 1 115 115 VAL H H 115 7.824 7.824 7.977 -0.153 25125 5449 1 8 . 1 1 116 116 GLU N N 116 117.473 117.473 119.105 -1.632 25125 5450 1 8 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.907 -0.118 25125 5451 1 8 . 1 1 116 116 GLU C C 116 179.566 179.566 178.804 0.762 25125 5452 1 8 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.672 0.258 25125 5453 1 8 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.308 -0.212 25125 5454 1 8 . 1 1 116 116 GLU H H 116 8.465 8.465 7.582 0.883 25125 5455 1 8 . 1 1 117 117 ARG N N 117 120.128 120.128 119.187 0.941 25125 5456 1 8 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.090 -0.026 25125 5457 1 8 . 1 1 117 117 ARG C C 117 178.438 178.438 177.281 1.157 25125 5458 1 8 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.895 0.383 25125 5459 1 8 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.084 0.193 25125 5460 1 8 . 1 1 117 117 ARG H H 117 8.012 8.012 7.633 0.379 25125 5461 1 8 . 1 1 118 118 ALA N N 118 122.270 122.270 120.447 1.823 25125 5462 1 8 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.960 -0.504 25125 5463 1 8 . 1 1 118 118 ALA C C 118 178.741 178.741 178.608 0.133 25125 5464 1 8 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.803 0.775 25125 5465 1 8 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.997 -0.839 25125 5466 1 8 . 1 1 118 118 ALA H H 118 7.958 7.958 7.175 0.783 25125 5467 1 8 . 1 1 119 119 ILE N N 119 115.269 115.269 118.371 -3.102 25125 5468 1 8 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.139 -0.411 25125 5469 1 8 . 1 1 119 119 ILE C C 119 177.366 177.366 178.532 -1.166 25125 5470 1 8 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.646 -0.977 25125 5471 1 8 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.468 -0.670 25125 5472 1 8 . 1 1 119 119 ILE H H 119 7.753 7.753 7.835 -0.082 25125 5473 1 8 . 1 1 120 120 SER N N 120 115.135 115.135 114.748 0.387 25125 5474 1 8 . 1 1 120 120 SER HA H 120 4.275 4.275 4.093 0.181 25125 5475 1 8 . 1 1 120 120 SER C C 120 175.084 175.084 175.101 -0.017 25125 5476 1 8 . 1 1 120 120 SER CA C 120 59.816 59.816 61.649 -1.833 25125 5477 1 8 . 1 1 120 120 SER CB C 120 63.380 63.380 62.932 0.448 25125 5478 1 8 . 1 1 120 120 SER H H 120 7.816 7.816 8.146 -0.330 25125 5479 1 8 . 1 1 121 121 HIS N N 121 119.908 119.908 118.907 1.001 25125 5480 1 8 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.170 0.252 25125 5481 1 8 . 1 1 121 121 HIS C C 121 175.029 175.029 176.123 -1.094 25125 5482 1 8 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.599 -1.363 25125 5483 1 8 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.575 -0.147 25125 5484 1 8 . 1 1 121 121 HIS H H 121 7.910 7.910 7.795 0.115 25125 5485 1 8 . 1 1 122 122 TYR N N 122 118.880 118.880 116.566 2.314 25125 5486 1 8 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.637 -0.211 25125 5487 1 8 . 1 1 122 122 TYR C C 122 175.276 175.276 176.181 -0.905 25125 5488 1 8 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.739 -0.290 25125 5489 1 8 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.499 -0.895 25125 5490 1 8 . 1 1 122 122 TYR H H 122 7.766 7.766 7.757 0.009 25125 5491 1 8 . 1 1 123 123 GLN N N 123 121.479 121.479 118.285 3.194 25125 5492 1 8 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.486 -0.216 25125 5493 1 8 . 1 1 123 123 GLN C C 123 174.534 174.534 174.985 -0.451 25125 5494 1 8 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.997 0.515 25125 5495 1 8 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.524 1.244 25125 5496 1 8 . 1 1 123 123 GLN H H 123 7.878 7.878 7.663 0.215 25125 5497 1 9 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.633 -0.200 25125 5498 1 9 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.659 -1.095 25125 5499 1 9 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.519 1.081 25125 5500 1 9 . 1 1 3 3 ARG N N 3 121.252 121.252 124.643 -3.391 25125 5501 1 9 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.438 -0.073 25125 5502 1 9 . 1 1 3 3 ARG C C 3 175.634 175.634 175.234 0.400 25125 5503 1 9 . 1 1 3 3 ARG CA C 3 55.991 55.991 55.757 0.234 25125 5504 1 9 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.732 0.565 25125 5505 1 9 . 1 1 3 3 ARG H H 3 8.429 8.429 8.088 0.341 25125 5506 1 9 . 1 1 4 4 GLY N N 4 107.663 107.663 108.205 -0.542 25125 5507 1 9 . 1 1 4 4 GLY C C 4 171.041 171.041 173.185 -2.144 25125 5508 1 9 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.364 0.952 25125 5509 1 9 . 1 1 4 4 GLY H H 4 7.963 7.963 7.736 0.227 25125 5510 1 9 . 1 1 5 5 ILE N N 5 122.603 122.603 123.825 -1.222 25125 5511 1 9 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.033 0.666 25125 5512 1 9 . 1 1 5 5 ILE C C 5 175.359 175.359 174.897 0.462 25125 5513 1 9 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.471 -0.861 25125 5514 1 9 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.335 0.241 25125 5515 1 9 . 1 1 5 5 ILE H H 5 9.610 9.610 7.957 1.653 25125 5516 1 9 . 1 1 6 6 VAL N N 6 127.905 127.905 125.970 1.935 25125 5517 1 9 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.907 -0.095 25125 5518 1 9 . 1 1 6 6 VAL C C 6 174.204 174.204 175.329 -1.125 25125 5519 1 9 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.791 -1.232 25125 5520 1 9 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.125 1.401 25125 5521 1 9 . 1 1 6 6 VAL H H 6 9.090 9.090 7.987 1.103 25125 5522 1 9 . 1 1 7 7 TRP N N 7 127.467 127.467 128.526 -1.059 25125 5523 1 9 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.255 1.199 25125 5524 1 9 . 1 1 7 7 TRP C C 7 175.056 175.056 175.018 0.038 25125 5525 1 9 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.209 -1.331 25125 5526 1 9 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.321 0.813 25125 5527 1 9 . 1 1 7 7 TRP H H 7 8.497 8.497 8.770 -0.273 25125 5528 1 9 . 1 1 8 8 VAL N N 8 122.068 122.068 120.619 1.449 25125 5529 1 9 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.673 0.413 25125 5530 1 9 . 1 1 8 8 VAL C C 8 173.874 173.874 173.929 -0.055 25125 5531 1 9 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.904 -0.418 25125 5532 1 9 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.091 0.624 25125 5533 1 9 . 1 1 8 8 VAL H H 8 8.583 8.583 9.453 -0.870 25125 5534 1 9 . 1 1 9 9 VAL N N 9 127.733 127.733 125.329 2.404 25125 5535 1 9 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.622 0.339 25125 5536 1 9 . 1 1 9 9 VAL C C 9 173.131 173.131 173.764 -0.633 25125 5537 1 9 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.047 -1.373 25125 5538 1 9 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.194 -0.284 25125 5539 1 9 . 1 1 9 9 VAL H H 9 9.107 9.107 8.467 0.640 25125 5540 1 9 . 1 1 10 10 ASP N N 10 124.306 124.306 127.410 -3.104 25125 5541 1 9 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.365 -0.796 25125 5542 1 9 . 1 1 10 10 ASP C C 10 175.029 175.029 175.630 -0.601 25125 5543 1 9 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.620 2.127 25125 5544 1 9 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.248 -0.139 25125 5545 1 9 . 1 1 10 10 ASP H H 10 7.775 7.775 7.979 -0.204 25125 5546 1 9 . 1 1 11 11 ASP N N 11 126.714 126.714 119.836 6.878 25125 5547 1 9 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.656 -0.121 25125 5548 1 9 . 1 1 11 11 ASP C C 11 175.689 175.689 174.957 0.732 25125 5549 1 9 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.805 0.913 25125 5550 1 9 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.499 0.575 25125 5551 1 9 . 1 1 11 11 ASP H H 11 9.033 9.033 8.633 0.400 25125 5552 1 9 . 1 1 12 12 ASP N N 12 121.877 121.877 118.178 3.699 25125 5553 1 9 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.842 -0.196 25125 5554 1 9 . 1 1 12 12 ASP C C 12 177.036 177.036 176.541 0.495 25125 5555 1 9 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.608 -0.305 25125 5556 1 9 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.452 -2.288 25125 5557 1 9 . 1 1 12 12 ASP H H 12 9.570 9.570 7.816 1.754 25125 5558 1 9 . 1 1 13 13 SER N N 13 123.799 123.799 118.945 4.854 25125 5559 1 9 . 1 1 13 13 SER HA H 13 3.761 3.761 4.257 -0.496 25125 5560 1 9 . 1 1 13 13 SER C C 13 176.156 176.156 175.813 0.343 25125 5561 1 9 . 1 1 13 13 SER CA C 13 61.186 61.186 62.167 -0.981 25125 5562 1 9 . 1 1 13 13 SER CB C 13 62.749 62.749 63.183 -0.434 25125 5563 1 9 . 1 1 13 13 SER H H 13 8.850 8.850 8.885 -0.035 25125 5564 1 9 . 1 1 14 14 SER N N 14 119.123 119.123 118.042 1.081 25125 5565 1 9 . 1 1 14 14 SER HA H 14 4.361 4.361 4.433 -0.072 25125 5566 1 9 . 1 1 14 14 SER C C 14 176.404 176.404 176.160 0.244 25125 5567 1 9 . 1 1 14 14 SER CA C 14 61.730 61.730 61.431 0.298 25125 5568 1 9 . 1 1 14 14 SER CB C 14 62.548 62.548 62.798 -0.250 25125 5569 1 9 . 1 1 14 14 SER H H 14 8.531 8.531 8.700 -0.169 25125 5570 1 9 . 1 1 15 15 ILE N N 15 123.637 123.637 123.100 0.537 25125 5571 1 9 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.094 -0.149 25125 5572 1 9 . 1 1 15 15 ILE C C 15 177.861 177.861 177.732 0.129 25125 5573 1 9 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.129 -1.929 25125 5574 1 9 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.127 -1.241 25125 5575 1 9 . 1 1 15 15 ILE H H 15 7.206 7.206 7.831 -0.625 25125 5576 1 9 . 1 1 16 16 ARG N N 16 116.694 116.694 119.891 -3.197 25125 5577 1 9 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.382 -0.659 25125 5578 1 9 . 1 1 16 16 ARG C C 16 177.448 177.448 178.510 -1.062 25125 5579 1 9 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.836 2.737 25125 5580 1 9 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.045 0.402 25125 5581 1 9 . 1 1 16 16 ARG H H 16 7.562 7.562 7.925 -0.363 25125 5582 1 9 . 1 1 17 17 TRP N N 17 116.848 116.848 122.991 -6.143 25125 5583 1 9 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.338 0.133 25125 5584 1 9 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.787 -1.347 25125 5585 1 9 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.460 -0.168 25125 5586 1 9 . 1 1 17 17 TRP H H 17 8.005 8.005 8.504 -0.499 25125 5587 1 9 . 1 1 18 18 VAL N N 18 116.964 116.964 118.988 -2.024 25125 5588 1 9 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.542 1.133 25125 5589 1 9 . 1 1 18 18 VAL C C 18 179.181 179.181 177.452 1.729 25125 5590 1 9 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.568 0.140 25125 5591 1 9 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.499 0.138 25125 5592 1 9 . 1 1 18 18 VAL H H 18 8.110 8.110 7.591 0.519 25125 5593 1 9 . 1 1 19 19 LEU N N 19 120.186 120.186 117.763 2.423 25125 5594 1 9 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.029 0.046 25125 5595 1 9 . 1 1 19 19 LEU C C 19 177.778 177.778 178.970 -1.192 25125 5596 1 9 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.457 0.365 25125 5597 1 9 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.489 0.291 25125 5598 1 9 . 1 1 19 19 LEU H H 19 8.073 8.073 7.578 0.495 25125 5599 1 9 . 1 1 20 20 GLU N N 20 120.193 120.193 119.165 1.028 25125 5600 1 9 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.017 -0.076 25125 5601 1 9 . 1 1 20 20 GLU C C 20 178.603 178.603 178.678 -0.075 25125 5602 1 9 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.345 1.265 25125 5603 1 9 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.731 -0.643 25125 5604 1 9 . 1 1 20 20 GLU H H 20 8.387 8.387 8.195 0.192 25125 5605 1 9 . 1 1 21 21 ARG N N 21 116.076 116.076 118.978 -2.902 25125 5606 1 9 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.911 -0.018 25125 5607 1 9 . 1 1 21 21 ARG C C 21 179.676 179.676 178.601 1.075 25125 5608 1 9 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.651 0.798 25125 5609 1 9 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.818 1.035 25125 5610 1 9 . 1 1 21 21 ARG H H 21 7.602 7.602 7.538 0.064 25125 5611 1 9 . 1 1 22 22 ALA N N 22 122.405 122.405 121.847 0.558 25125 5612 1 9 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.027 0.070 25125 5613 1 9 . 1 1 22 22 ALA C C 22 180.501 180.501 179.955 0.546 25125 5614 1 9 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.972 -0.394 25125 5615 1 9 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.072 1.160 25125 5616 1 9 . 1 1 22 22 ALA H H 22 7.992 7.992 7.592 0.400 25125 5617 1 9 . 1 1 23 23 LEU N N 23 118.026 118.026 118.396 -0.370 25125 5618 1 9 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.945 0.056 25125 5619 1 9 . 1 1 23 23 LEU C C 23 178.878 178.878 179.319 -0.441 25125 5620 1 9 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.305 0.416 25125 5621 1 9 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.660 -2.005 25125 5622 1 9 . 1 1 23 23 LEU H H 23 8.825 8.825 7.403 1.422 25125 5623 1 9 . 1 1 24 24 ALA N N 24 122.159 122.159 120.617 1.542 25125 5624 1 9 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.027 0.606 25125 5625 1 9 . 1 1 24 24 ALA C C 24 183.141 183.141 178.808 4.333 25125 5626 1 9 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.320 0.427 25125 5627 1 9 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.674 -0.972 25125 5628 1 9 . 1 1 24 24 ALA H H 24 8.125 8.125 8.301 -0.176 25125 5629 1 9 . 1 1 25 25 GLY N N 25 106.891 106.891 105.297 1.594 25125 5630 1 9 . 1 1 25 25 GLY C C 25 174.286 174.286 174.095 0.191 25125 5631 1 9 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.970 1.451 25125 5632 1 9 . 1 1 25 25 GLY H H 25 7.870 7.870 7.979 -0.109 25125 5633 1 9 . 1 1 26 26 ALA N N 26 121.819 121.819 122.778 -0.959 25125 5634 1 9 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.626 -0.127 25125 5635 1 9 . 1 1 26 26 ALA C C 26 176.953 176.953 177.994 -1.041 25125 5636 1 9 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.868 0.651 25125 5637 1 9 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.171 -1.449 25125 5638 1 9 . 1 1 26 26 ALA H H 26 7.285 7.285 7.373 -0.088 25125 5639 1 9 . 1 1 27 27 GLY N N 27 106.197 106.197 107.532 -1.335 25125 5640 1 9 . 1 1 27 27 GLY C C 27 173.956 173.956 173.123 0.833 25125 5641 1 9 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.769 0.547 25125 5642 1 9 . 1 1 27 27 GLY H H 27 7.824 7.824 8.644 -0.820 25125 5643 1 9 . 1 1 28 28 LEU N N 28 120.291 120.291 118.305 1.986 25125 5644 1 9 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.691 -0.116 25125 5645 1 9 . 1 1 28 28 LEU C C 28 175.881 175.881 176.140 -0.259 25125 5646 1 9 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.257 0.386 25125 5647 1 9 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.765 -2.280 25125 5648 1 9 . 1 1 28 28 LEU H H 28 7.678 7.678 7.123 0.555 25125 5649 1 9 . 1 1 29 29 THR N N 29 118.040 118.040 116.987 1.053 25125 5650 1 9 . 1 1 29 29 THR HA H 29 4.335 4.335 4.245 0.090 25125 5651 1 9 . 1 1 29 29 THR C C 29 173.186 173.186 173.940 -0.754 25125 5652 1 9 . 1 1 29 29 THR CA C 29 62.479 62.479 64.006 -1.527 25125 5653 1 9 . 1 1 29 29 THR CB C 29 69.465 69.465 69.362 0.103 25125 5654 1 9 . 1 1 29 29 THR H H 29 8.527 8.527 8.459 0.068 25125 5655 1 9 . 1 1 30 30 CYS N N 30 128.387 128.387 121.072 7.315 25125 5656 1 9 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.263 0.680 25125 5657 1 9 . 1 1 30 30 CYS C C 30 173.846 173.846 174.144 -0.298 25125 5658 1 9 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.765 -0.403 25125 5659 1 9 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.690 -0.210 25125 5660 1 9 . 1 1 30 30 CYS H H 30 8.968 8.968 8.431 0.537 25125 5661 1 9 . 1 1 31 31 THR N N 31 126.481 126.481 124.528 1.953 25125 5662 1 9 . 1 1 31 31 THR HA H 31 4.433 4.433 4.375 0.058 25125 5663 1 9 . 1 1 31 31 THR C C 31 172.609 172.609 173.275 -0.666 25125 5664 1 9 . 1 1 31 31 THR CA C 31 61.951 61.951 61.356 0.595 25125 5665 1 9 . 1 1 31 31 THR CB C 31 70.567 70.567 69.782 0.785 25125 5666 1 9 . 1 1 31 31 THR H H 31 8.614 8.614 8.444 0.170 25125 5667 1 9 . 1 1 32 32 THR N N 32 116.418 116.418 118.237 -1.819 25125 5668 1 9 . 1 1 32 32 THR HA H 32 5.330 5.330 5.254 0.076 25125 5669 1 9 . 1 1 32 32 THR C C 32 172.306 172.306 172.962 -0.656 25125 5670 1 9 . 1 1 32 32 THR CA C 32 59.173 59.173 60.005 -0.832 25125 5671 1 9 . 1 1 32 32 THR CB C 32 70.917 70.917 69.757 1.160 25125 5672 1 9 . 1 1 32 32 THR H H 32 8.299 8.299 8.245 0.054 25125 5673 1 9 . 1 1 33 33 PHE N N 33 118.067 118.067 124.645 -6.578 25125 5674 1 9 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.863 -0.220 25125 5675 1 9 . 1 1 33 33 PHE C C 33 174.341 174.341 175.676 -1.335 25125 5676 1 9 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.084 0.448 25125 5677 1 9 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.324 0.985 25125 5678 1 9 . 1 1 33 33 PHE H H 33 8.890 8.890 8.756 0.134 25125 5679 1 9 . 1 1 34 34 GLU N N 34 118.499 118.499 115.873 2.626 25125 5680 1 9 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.430 -0.076 25125 5681 1 9 . 1 1 34 34 GLU C C 34 175.414 175.414 175.535 -0.121 25125 5682 1 9 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.421 0.271 25125 5683 1 9 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.174 0.293 25125 5684 1 9 . 1 1 34 34 GLU H H 34 9.023 9.023 8.666 0.357 25125 5685 1 9 . 1 1 35 35 ASN N N 35 109.907 109.907 119.369 -9.462 25125 5686 1 9 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.970 -0.189 25125 5687 1 9 . 1 1 35 35 ASN C C 35 175.139 175.139 176.117 -0.978 25125 5688 1 9 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.095 0.051 25125 5689 1 9 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.662 1.661 25125 5690 1 9 . 1 1 35 35 ASN H H 35 7.401 7.401 8.077 -0.676 25125 5691 1 9 . 1 1 36 36 GLY N N 36 106.739 106.739 110.708 -3.969 25125 5692 1 9 . 1 1 36 36 GLY C C 36 174.616 174.616 175.266 -0.650 25125 5693 1 9 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.992 0.024 25125 5694 1 9 . 1 1 36 36 GLY H H 36 8.877 8.877 8.955 -0.078 25125 5695 1 9 . 1 1 37 37 ASN N N 37 120.462 120.462 118.710 1.752 25125 5696 1 9 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.502 -0.140 25125 5697 1 9 . 1 1 37 37 ASN C C 37 178.686 178.686 176.598 2.088 25125 5698 1 9 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.897 0.635 25125 5699 1 9 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.413 -0.829 25125 5700 1 9 . 1 1 37 37 ASN H H 37 8.366 8.366 8.402 -0.036 25125 5701 1 9 . 1 1 38 38 GLU N N 38 119.360 119.360 119.867 -0.507 25125 5702 1 9 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.067 0.003 25125 5703 1 9 . 1 1 38 38 GLU C C 38 179.263 179.263 178.346 0.917 25125 5704 1 9 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.944 -0.312 25125 5705 1 9 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.345 1.187 25125 5706 1 9 . 1 1 38 38 GLU H H 38 7.990 7.990 7.695 0.295 25125 5707 1 9 . 1 1 39 39 VAL N N 39 119.259 119.259 117.853 1.406 25125 5708 1 9 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.097 -0.329 25125 5709 1 9 . 1 1 39 39 VAL C C 39 176.431 176.431 177.483 -1.052 25125 5710 1 9 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.013 -0.070 25125 5711 1 9 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.619 -0.544 25125 5712 1 9 . 1 1 39 39 VAL H H 39 6.883 6.883 7.159 -0.276 25125 5713 1 9 . 1 1 40 40 LEU N N 40 119.627 119.627 122.279 -2.652 25125 5714 1 9 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.003 -0.076 25125 5715 1 9 . 1 1 40 40 LEU C C 40 179.538 179.538 178.260 1.278 25125 5716 1 9 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.082 -0.142 25125 5717 1 9 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.216 -0.148 25125 5718 1 9 . 1 1 40 40 LEU H H 40 7.692 7.692 7.310 0.382 25125 5719 1 9 . 1 1 41 41 ALA N N 41 120.051 120.051 120.096 -0.045 25125 5720 1 9 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.153 -0.013 25125 5721 1 9 . 1 1 41 41 ALA C C 41 180.528 180.528 179.392 1.136 25125 5722 1 9 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.475 0.175 25125 5723 1 9 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.963 -0.097 25125 5724 1 9 . 1 1 41 41 ALA H H 41 7.553 7.553 7.576 -0.023 25125 5725 1 9 . 1 1 42 42 ALA N N 42 122.731 122.731 122.105 0.626 25125 5726 1 9 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.160 0.039 25125 5727 1 9 . 1 1 42 42 ALA C C 42 180.198 180.198 180.203 -0.005 25125 5728 1 9 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.520 0.512 25125 5729 1 9 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.104 1.295 25125 5730 1 9 . 1 1 42 42 ALA H H 42 7.604 7.604 7.204 0.400 25125 5731 1 9 . 1 1 43 43 LEU N N 43 119.131 119.131 118.645 0.486 25125 5732 1 9 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.978 1.228 25125 5733 1 9 . 1 1 43 43 LEU C C 43 177.421 177.421 178.410 -0.989 25125 5734 1 9 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.546 -2.001 25125 5735 1 9 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.047 1.557 25125 5736 1 9 . 1 1 43 43 LEU H H 43 8.288 8.288 8.027 0.261 25125 5737 1 9 . 1 1 44 44 ALA N N 44 119.065 119.065 118.366 0.699 25125 5738 1 9 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.205 0.024 25125 5739 1 9 . 1 1 44 44 ALA C C 44 178.686 178.686 178.823 -0.137 25125 5740 1 9 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.820 0.418 25125 5741 1 9 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.437 0.079 25125 5742 1 9 . 1 1 44 44 ALA H H 44 7.302 7.302 7.727 -0.425 25125 5743 1 9 . 1 1 45 45 SER N N 45 108.656 108.656 115.382 -6.726 25125 5744 1 9 . 1 1 45 45 SER HA H 45 4.742 4.742 4.402 0.340 25125 5745 1 9 . 1 1 45 45 SER C C 45 173.296 173.296 176.146 -2.850 25125 5746 1 9 . 1 1 45 45 SER CA C 45 58.656 58.656 60.612 -1.956 25125 5747 1 9 . 1 1 45 45 SER CB C 45 65.407 65.407 64.075 1.332 25125 5748 1 9 . 1 1 45 45 SER H H 45 7.728 7.728 7.996 -0.268 25125 5749 1 9 . 1 1 46 46 LYS N N 46 123.016 123.016 117.196 5.820 25125 5750 1 9 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.607 -0.021 25125 5751 1 9 . 1 1 46 46 LYS C C 46 172.719 172.719 175.834 -3.115 25125 5752 1 9 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.401 -0.889 25125 5753 1 9 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.439 1.786 25125 5754 1 9 . 1 1 46 46 LYS H H 46 8.101 8.101 7.790 0.311 25125 5755 1 9 . 1 1 47 47 THR N N 47 111.780 111.780 115.003 -3.223 25125 5756 1 9 . 1 1 47 47 THR HA H 47 4.282 4.282 3.988 0.294 25125 5757 1 9 . 1 1 47 47 THR CA C 47 57.806 57.806 62.135 -4.329 25125 5758 1 9 . 1 1 47 47 THR CB C 47 70.594 70.594 68.100 2.494 25125 5759 1 9 . 1 1 47 47 THR H H 47 7.677 7.677 7.699 -0.022 25125 5760 1 9 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.961 -0.056 25125 5761 1 9 . 1 1 48 48 PRO C C 48 172.966 172.966 175.183 -2.217 25125 5762 1 9 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.170 -1.306 25125 5763 1 9 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.446 -1.169 25125 5764 1 9 . 1 1 49 49 ASP N N 49 115.035 115.035 117.768 -2.733 25125 5765 1 9 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.771 -0.327 25125 5766 1 9 . 1 1 49 49 ASP C C 49 175.634 175.634 175.243 0.391 25125 5767 1 9 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.374 2.073 25125 5768 1 9 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.981 -0.469 25125 5769 1 9 . 1 1 49 49 ASP H H 49 8.502 8.502 7.964 0.538 25125 5770 1 9 . 1 1 50 50 VAL N N 50 112.082 112.082 115.988 -3.906 25125 5771 1 9 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.626 -0.346 25125 5772 1 9 . 1 1 50 50 VAL C C 50 171.454 171.454 172.807 -1.353 25125 5773 1 9 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.246 -0.684 25125 5774 1 9 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.320 0.316 25125 5775 1 9 . 1 1 50 50 VAL H H 50 7.173 7.173 7.160 0.013 25125 5776 1 9 . 1 1 51 51 LEU N N 51 128.247 128.247 126.400 1.847 25125 5777 1 9 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.405 -0.086 25125 5778 1 9 . 1 1 51 51 LEU C C 51 173.104 173.104 174.797 -1.693 25125 5779 1 9 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.284 -0.066 25125 5780 1 9 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.511 -0.005 25125 5781 1 9 . 1 1 51 51 LEU H H 51 8.059 8.059 8.356 -0.297 25125 5782 1 9 . 1 1 52 52 LEU N N 52 128.407 128.407 123.099 5.308 25125 5783 1 9 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.968 0.533 25125 5784 1 9 . 1 1 52 52 LEU C C 52 175.414 175.414 175.819 -0.405 25125 5785 1 9 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.098 0.225 25125 5786 1 9 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.283 2.238 25125 5787 1 9 . 1 1 52 52 LEU H H 52 9.242 9.242 9.208 0.034 25125 5788 1 9 . 1 1 53 53 SER N N 53 114.946 114.946 116.689 -1.743 25125 5789 1 9 . 1 1 53 53 SER HA H 53 5.595 5.595 4.699 0.896 25125 5790 1 9 . 1 1 53 53 SER C C 53 174.644 174.644 173.805 0.839 25125 5791 1 9 . 1 1 53 53 SER CA C 53 55.954 55.954 57.466 -1.512 25125 5792 1 9 . 1 1 53 53 SER CB C 53 66.473 66.473 64.659 1.814 25125 5793 1 9 . 1 1 53 53 SER H H 53 8.695 8.695 8.039 0.656 25125 5794 1 9 . 1 1 54 54 ASP N N 54 128.341 128.341 124.118 4.223 25125 5795 1 9 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.901 0.424 25125 5796 1 9 . 1 1 54 54 ASP C C 54 176.816 176.816 175.410 1.406 25125 5797 1 9 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.188 1.305 25125 5798 1 9 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.134 -0.806 25125 5799 1 9 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125 5800 1 9 . 1 1 55 55 ILE N N 55 121.229 121.229 117.343 3.886 25125 5801 1 9 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.384 -0.199 25125 5802 1 9 . 1 1 55 55 ILE C C 55 175.084 175.084 174.251 0.833 25125 5803 1 9 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.826 0.716 25125 5804 1 9 . 1 1 55 55 ILE CB C 55 39.029 39.029 39.707 -0.678 25125 5805 1 9 . 1 1 55 55 ILE H H 55 8.722 8.722 8.085 0.637 25125 5806 1 9 . 1 1 56 56 ARG N N 56 124.188 124.188 121.729 2.459 25125 5807 1 9 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.553 -0.048 25125 5808 1 9 . 1 1 56 56 ARG C C 56 175.661 175.661 174.667 0.994 25125 5809 1 9 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.899 -0.458 25125 5810 1 9 . 1 1 56 56 ARG CB C 56 30.362 30.362 30.498 -0.136 25125 5811 1 9 . 1 1 56 56 ARG H H 56 8.499 8.499 8.316 0.183 25125 5812 1 9 . 1 1 57 57 MET N N 57 122.581 122.581 121.528 1.053 25125 5813 1 9 . 1 1 57 57 MET HA H 57 4.821 4.821 4.969 -0.148 25125 5814 1 9 . 1 1 57 57 MET CA C 57 53.132 53.132 53.061 0.071 25125 5815 1 9 . 1 1 57 57 MET CB C 57 33.445 33.445 32.335 1.110 25125 5816 1 9 . 1 1 57 57 MET H H 57 7.956 7.956 7.598 0.358 25125 5817 1 9 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.414 -0.021 25125 5818 1 9 . 1 1 58 58 PRO C C 58 177.806 177.806 177.220 0.586 25125 5819 1 9 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.281 -1.782 25125 5820 1 9 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.816 -0.009 25125 5821 1 9 . 1 1 59 59 GLY N N 59 111.082 111.082 106.513 4.569 25125 5822 1 9 . 1 1 59 59 GLY C C 59 173.626 173.626 175.336 -1.710 25125 5823 1 9 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.062 0.528 25125 5824 1 9 . 1 1 59 59 GLY H H 59 8.653 8.653 8.133 0.520 25125 5825 1 9 . 1 1 60 60 MET N N 60 120.052 120.052 119.776 0.276 25125 5826 1 9 . 1 1 60 60 MET HA H 60 4.525 4.525 4.278 0.247 25125 5827 1 9 . 1 1 60 60 MET C C 60 173.956 173.956 176.575 -2.619 25125 5828 1 9 . 1 1 60 60 MET CA C 60 55.047 55.047 56.303 -1.256 25125 5829 1 9 . 1 1 60 60 MET CB C 60 34.506 34.506 32.867 1.639 25125 5830 1 9 . 1 1 60 60 MET H H 60 7.968 7.968 7.994 -0.026 25125 5831 1 9 . 1 1 61 61 ASP N N 61 121.306 121.306 115.065 6.241 25125 5832 1 9 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.285 0.419 25125 5833 1 9 . 1 1 61 61 ASP C C 61 176.761 176.761 177.226 -0.465 25125 5834 1 9 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.248 -3.519 25125 5835 1 9 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.794 1.275 25125 5836 1 9 . 1 1 61 61 ASP H H 61 8.379 8.379 8.487 -0.108 25125 5837 1 9 . 1 1 62 62 GLY N N 62 110.874 110.874 105.946 4.928 25125 5838 1 9 . 1 1 62 62 GLY C C 62 175.194 175.194 175.120 0.074 25125 5839 1 9 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.620 1.481 25125 5840 1 9 . 1 1 62 62 GLY H H 62 8.707 8.707 8.351 0.356 25125 5841 1 9 . 1 1 63 63 LEU N N 63 121.299 121.299 122.403 -1.104 25125 5842 1 9 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.282 -0.105 25125 5843 1 9 . 1 1 63 63 LEU C C 63 178.356 178.356 178.030 0.326 25125 5844 1 9 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.550 1.328 25125 5845 1 9 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.170 1.068 25125 5846 1 9 . 1 1 63 63 LEU H H 63 8.045 8.045 8.030 0.015 25125 5847 1 9 . 1 1 64 64 ALA N N 64 122.741 122.741 122.729 0.012 25125 5848 1 9 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.995 0.067 25125 5849 1 9 . 1 1 64 64 ALA C C 64 180.556 180.556 179.078 1.478 25125 5850 1 9 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.123 -0.508 25125 5851 1 9 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.110 -0.110 25125 5852 1 9 . 1 1 64 64 ALA H H 64 7.859 7.859 8.196 -0.337 25125 5853 1 9 . 1 1 65 65 LEU N N 65 120.287 120.287 113.779 6.508 25125 5854 1 9 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.410 -0.348 25125 5855 1 9 . 1 1 65 65 LEU C C 65 178.191 178.191 178.770 -0.579 25125 5856 1 9 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.045 0.974 25125 5857 1 9 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.863 -0.625 25125 5858 1 9 . 1 1 65 65 LEU H H 65 8.022 8.022 7.338 0.684 25125 5859 1 9 . 1 1 66 66 LEU N N 66 118.738 118.738 120.984 -2.246 25125 5860 1 9 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.010 -0.152 25125 5861 1 9 . 1 1 66 66 LEU C C 66 178.631 178.631 179.246 -0.615 25125 5862 1 9 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.983 0.363 25125 5863 1 9 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.575 0.663 25125 5864 1 9 . 1 1 66 66 LEU H H 66 8.101 8.101 7.630 0.471 25125 5865 1 9 . 1 1 67 67 LYS N N 67 117.842 117.842 115.885 1.957 25125 5866 1 9 . 1 1 67 67 LYS HA H 67 3.982 3.982 3.983 -0.001 25125 5867 1 9 . 1 1 67 67 LYS C C 67 179.263 179.263 179.483 -0.220 25125 5868 1 9 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.167 0.630 25125 5869 1 9 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.636 0.572 25125 5870 1 9 . 1 1 67 67 LYS H H 67 8.010 8.010 8.362 -0.352 25125 5871 1 9 . 1 1 68 68 GLN N N 68 118.875 118.875 118.659 0.216 25125 5872 1 9 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.270 -0.214 25125 5873 1 9 . 1 1 68 68 GLN C C 68 179.071 179.071 178.070 1.001 25125 5874 1 9 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.421 0.652 25125 5875 1 9 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.814 -0.204 25125 5876 1 9 . 1 1 68 68 GLN H H 68 7.809 7.809 7.918 -0.109 25125 5877 1 9 . 1 1 69 69 ILE N N 69 120.377 120.377 121.875 -1.498 25125 5878 1 9 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.838 -0.308 25125 5879 1 9 . 1 1 69 69 ILE C C 69 177.421 177.421 178.508 -1.087 25125 5880 1 9 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.419 0.459 25125 5881 1 9 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.690 -0.106 25125 5882 1 9 . 1 1 69 69 ILE H H 69 8.481 8.481 8.517 -0.036 25125 5883 1 9 . 1 1 70 70 LYS N N 70 117.873 117.873 119.681 -1.808 25125 5884 1 9 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.184 -0.224 25125 5885 1 9 . 1 1 70 70 LYS C C 70 178.053 178.053 178.238 -0.185 25125 5886 1 9 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.927 -1.839 25125 5887 1 9 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.455 -1.243 25125 5888 1 9 . 1 1 70 70 LYS H H 70 8.220 8.220 7.773 0.447 25125 5889 1 9 . 1 1 71 71 GLN N N 71 116.315 116.315 117.295 -0.980 25125 5890 1 9 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.100 -0.108 25125 5891 1 9 . 1 1 71 71 GLN C C 71 177.366 177.366 178.222 -0.856 25125 5892 1 9 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.587 -0.397 25125 5893 1 9 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.952 -0.287 25125 5894 1 9 . 1 1 71 71 GLN H H 71 7.601 7.601 7.634 -0.033 25125 5895 1 9 . 1 1 72 72 ARG N N 72 116.530 116.530 117.549 -1.019 25125 5896 1 9 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.132 -0.102 25125 5897 1 9 . 1 1 72 72 ARG C C 72 175.826 175.826 176.862 -1.036 25125 5898 1 9 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.689 -0.467 25125 5899 1 9 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.577 0.225 25125 5900 1 9 . 1 1 72 72 ARG H H 72 7.301 7.301 8.131 -0.830 25125 5901 1 9 . 1 1 73 73 HIS N N 73 116.755 116.755 116.655 0.100 25125 5902 1 9 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.015 -0.055 25125 5903 1 9 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.490 -0.273 25125 5904 1 9 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.223 0.339 25125 5905 1 9 . 1 1 73 73 HIS H H 73 8.331 8.331 7.761 0.570 25125 5906 1 9 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.408 0.091 25125 5907 1 9 . 1 1 74 74 PRO C C 74 178.466 178.466 177.326 1.140 25125 5908 1 9 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.139 -0.026 25125 5909 1 9 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.093 0.002 25125 5910 1 9 . 1 1 75 75 MET N N 75 114.814 114.814 113.507 1.307 25125 5911 1 9 . 1 1 75 75 MET HA H 75 4.567 4.567 4.564 0.003 25125 5912 1 9 . 1 1 75 75 MET C C 75 176.046 176.046 175.586 0.460 25125 5913 1 9 . 1 1 75 75 MET CA C 75 54.266 54.266 55.651 -1.385 25125 5914 1 9 . 1 1 75 75 MET CB C 75 31.288 31.288 32.180 -0.892 25125 5915 1 9 . 1 1 75 75 MET H H 75 8.623 8.623 7.835 0.788 25125 5916 1 9 . 1 1 76 76 LEU N N 76 125.533 125.533 123.189 2.344 25125 5917 1 9 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.725 -0.420 25125 5918 1 9 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.601 1.511 25125 5919 1 9 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.489 0.196 25125 5920 1 9 . 1 1 76 76 LEU H H 76 7.337 7.337 7.186 0.151 25125 5921 1 9 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.546 -0.100 25125 5922 1 9 . 1 1 77 77 PRO C C 77 174.974 174.974 175.009 -0.035 25125 5923 1 9 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.461 0.366 25125 5924 1 9 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.391 -0.669 25125 5925 1 9 . 1 1 78 78 VAL N N 78 123.779 123.779 120.093 3.686 25125 5926 1 9 . 1 1 78 78 VAL HA H 78 5.024 5.024 5.054 -0.030 25125 5927 1 9 . 1 1 78 78 VAL C C 78 175.441 175.441 175.790 -0.349 25125 5928 1 9 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.974 -0.781 25125 5929 1 9 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.613 -2.319 25125 5930 1 9 . 1 1 78 78 VAL H H 78 8.317 8.317 8.341 -0.024 25125 5931 1 9 . 1 1 79 79 ILE N N 79 128.334 128.334 124.367 3.967 25125 5932 1 9 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.779 -0.298 25125 5933 1 9 . 1 1 79 79 ILE C C 79 174.479 174.479 174.919 -0.440 25125 5934 1 9 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.987 -0.465 25125 5935 1 9 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.399 -1.436 25125 5936 1 9 . 1 1 79 79 ILE H H 79 9.292 9.292 8.913 0.379 25125 5937 1 9 . 1 1 80 80 ILE N N 80 127.023 127.023 123.917 3.106 25125 5938 1 9 . 1 1 80 80 ILE HA H 80 4.859 4.859 5.032 -0.173 25125 5939 1 9 . 1 1 80 80 ILE C C 80 175.029 175.029 175.219 -0.190 25125 5940 1 9 . 1 1 80 80 ILE CA C 80 58.157 58.157 58.910 -0.753 25125 5941 1 9 . 1 1 80 80 ILE CB C 80 37.944 37.944 40.228 -2.284 25125 5942 1 9 . 1 1 80 80 ILE H H 80 7.938 7.938 8.747 -0.809 25125 5943 1 9 . 1 1 81 81 MET N N 81 127.255 127.255 124.935 2.320 25125 5944 1 9 . 1 1 81 81 MET HA H 81 5.521 5.521 5.409 0.112 25125 5945 1 9 . 1 1 81 81 MET C C 81 174.534 174.534 175.475 -0.941 25125 5946 1 9 . 1 1 81 81 MET CA C 81 53.513 53.513 55.059 -1.546 25125 5947 1 9 . 1 1 81 81 MET CB C 81 35.483 35.483 35.455 0.028 25125 5948 1 9 . 1 1 81 81 MET H H 81 8.801 8.801 8.342 0.459 25125 5949 1 9 . 1 1 82 82 THR N N 82 112.857 112.857 116.392 -3.535 25125 5950 1 9 . 1 1 82 82 THR HA H 82 4.914 4.914 4.378 0.536 25125 5951 1 9 . 1 1 82 82 THR C C 82 172.581 172.581 173.204 -0.623 25125 5952 1 9 . 1 1 82 82 THR CA C 82 59.561 59.561 62.303 -2.742 25125 5953 1 9 . 1 1 82 82 THR CB C 82 69.989 69.989 69.799 0.190 25125 5954 1 9 . 1 1 82 82 THR H H 82 7.623 7.623 8.397 -0.774 25125 5955 1 9 . 1 1 83 83 ALA N N 83 129.541 129.541 122.267 7.274 25125 5956 1 9 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.941 0.767 25125 5957 1 9 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.468 -0.930 25125 5958 1 9 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.002 1.145 25125 5959 1 9 . 1 1 83 83 ALA H H 83 9.149 9.149 7.502 1.647 25125 5960 1 9 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.183 0.089 25125 5961 1 9 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.848 3.852 25125 5962 1 9 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.852 1.167 25125 5963 1 9 . 1 1 85 85 SER N N 85 112.633 112.633 118.469 -5.836 25125 5964 1 9 . 1 1 85 85 SER HA H 85 4.198 4.198 4.092 0.106 25125 5965 1 9 . 1 1 85 85 SER C C 85 174.506 174.506 173.623 0.883 25125 5966 1 9 . 1 1 85 85 SER CA C 85 59.823 59.823 60.448 -0.625 25125 5967 1 9 . 1 1 85 85 SER CB C 85 62.693 62.693 62.585 0.108 25125 5968 1 9 . 1 1 85 85 SER H H 85 8.224 8.224 8.632 -0.408 25125 5969 1 9 . 1 1 86 86 ASP N N 86 120.886 120.886 124.660 -3.774 25125 5970 1 9 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.418 0.518 25125 5971 1 9 . 1 1 86 86 ASP C C 86 175.881 175.881 177.259 -1.378 25125 5972 1 9 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.096 -1.161 25125 5973 1 9 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.999 1.004 25125 5974 1 9 . 1 1 86 86 ASP H H 86 7.608 7.608 8.068 -0.460 25125 5975 1 9 . 1 1 87 87 LEU N N 87 121.913 121.913 122.234 -0.321 25125 5976 1 9 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.698 0.221 25125 5977 1 9 . 1 1 87 87 LEU C C 87 177.586 177.586 177.673 -0.087 25125 5978 1 9 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.077 -0.239 25125 5979 1 9 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.672 0.643 25125 5980 1 9 . 1 1 87 87 LEU H H 87 7.498 7.498 7.658 -0.160 25125 5981 1 9 . 1 1 88 88 ASP N N 88 117.621 117.621 117.223 0.398 25125 5982 1 9 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.275 -0.003 25125 5983 1 9 . 1 1 88 88 ASP C C 88 178.246 178.246 177.583 0.663 25125 5984 1 9 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.231 -0.421 25125 5985 1 9 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.572 -0.438 25125 5986 1 9 . 1 1 88 88 ASP H H 88 8.322 8.322 8.638 -0.316 25125 5987 1 9 . 1 1 89 89 ALA N N 89 122.874 122.874 120.335 2.539 25125 5988 1 9 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.335 -0.241 25125 5989 1 9 . 1 1 89 89 ALA C C 89 179.346 179.346 178.832 0.514 25125 5990 1 9 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.374 -0.221 25125 5991 1 9 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.786 -0.525 25125 5992 1 9 . 1 1 89 89 ALA H H 89 7.838 7.838 7.590 0.248 25125 5993 1 9 . 1 1 90 90 ALA N N 90 121.673 121.673 121.529 0.144 25125 5994 1 9 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.352 -0.419 25125 5995 1 9 . 1 1 90 90 ALA C C 90 178.686 178.686 180.100 -1.414 25125 5996 1 9 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.073 0.590 25125 5997 1 9 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.307 0.075 25125 5998 1 9 . 1 1 90 90 ALA H H 90 7.896 7.896 7.414 0.482 25125 5999 1 9 . 1 1 91 91 VAL N N 91 117.749 117.749 119.520 -1.771 25125 6000 1 9 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.010 -0.398 25125 6001 1 9 . 1 1 91 91 VAL C C 91 178.411 178.411 177.365 1.046 25125 6002 1 9 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.301 -1.120 25125 6003 1 9 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.795 -0.158 25125 6004 1 9 . 1 1 91 91 VAL H H 91 8.098 8.098 8.632 -0.534 25125 6005 1 9 . 1 1 92 92 SER N N 92 114.942 114.942 113.940 1.002 25125 6006 1 9 . 1 1 92 92 SER HA H 92 4.231 4.231 4.423 -0.192 25125 6007 1 9 . 1 1 92 92 SER C C 92 175.826 175.826 175.147 0.679 25125 6008 1 9 . 1 1 92 92 SER CA C 92 60.649 60.649 60.129 0.520 25125 6009 1 9 . 1 1 92 92 SER CB C 92 63.063 63.063 64.320 -1.256 25125 6010 1 9 . 1 1 92 92 SER H H 92 7.825 7.825 8.068 -0.243 25125 6011 1 9 . 1 1 93 93 ALA N N 93 122.580 122.580 122.962 -0.382 25125 6012 1 9 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.214 -0.157 25125 6013 1 9 . 1 1 93 93 ALA C C 93 178.906 178.906 179.805 -0.899 25125 6014 1 9 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.481 -0.164 25125 6015 1 9 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.630 -0.333 25125 6016 1 9 . 1 1 93 93 ALA H H 93 7.861 7.861 7.529 0.332 25125 6017 1 9 . 1 1 94 94 TYR N N 94 118.447 118.447 120.600 -2.153 25125 6018 1 9 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.303 0.189 25125 6019 1 9 . 1 1 94 94 TYR C C 94 177.393 177.393 177.411 -0.018 25125 6020 1 9 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.833 -0.582 25125 6021 1 9 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.428 0.006 25125 6022 1 9 . 1 1 94 94 TYR H H 94 8.150 8.150 7.904 0.246 25125 6023 1 9 . 1 1 95 95 GLN N N 95 119.787 119.787 116.202 3.585 25125 6024 1 9 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.071 -0.028 25125 6025 1 9 . 1 1 95 95 GLN C C 95 176.981 176.981 176.691 0.290 25125 6026 1 9 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.976 0.490 25125 6027 1 9 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.733 0.356 25125 6028 1 9 . 1 1 95 95 GLN H H 95 8.271 8.271 8.088 0.183 25125 6029 1 9 . 1 1 96 96 GLN N N 96 117.878 117.878 118.022 -0.144 25125 6030 1 9 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.234 0.111 25125 6031 1 9 . 1 1 96 96 GLN C C 96 175.854 175.854 176.614 -0.760 25125 6032 1 9 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.250 -0.079 25125 6033 1 9 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.238 0.237 25125 6034 1 9 . 1 1 96 96 GLN H H 96 7.944 7.944 7.708 0.236 25125 6035 1 9 . 1 1 97 97 GLY N N 97 106.670 106.670 105.714 0.956 25125 6036 1 9 . 1 1 97 97 GLY C C 97 174.231 174.231 173.207 1.024 25125 6037 1 9 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.746 0.740 25125 6038 1 9 . 1 1 97 97 GLY H H 97 7.949 7.949 7.758 0.191 25125 6039 1 9 . 1 1 98 98 ALA N N 98 122.898 122.898 121.094 1.804 25125 6040 1 9 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.404 -0.029 25125 6041 1 9 . 1 1 98 98 ALA C C 98 175.991 175.991 175.671 0.320 25125 6042 1 9 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.156 2.012 25125 6043 1 9 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.245 -1.276 25125 6044 1 9 . 1 1 98 98 ALA H H 98 7.808 7.808 7.183 0.625 25125 6045 1 9 . 1 1 99 99 PHE N N 99 123.484 123.484 118.497 4.987 25125 6046 1 9 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.487 -0.137 25125 6047 1 9 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.397 2.059 25125 6048 1 9 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.361 -0.921 25125 6049 1 9 . 1 1 99 99 PHE H H 99 7.704 7.704 8.246 -0.542 25125 6050 1 9 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.919 0.585 25125 6051 1 9 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.145 -1.663 25125 6052 1 9 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.252 3.948 25125 6053 1 9 . 1 1 101 101 TYR N N 101 118.148 118.148 121.609 -3.461 25125 6054 1 9 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.475 0.973 25125 6055 1 9 . 1 1 101 101 TYR C C 101 173.159 173.159 174.404 -1.245 25125 6056 1 9 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.979 -0.992 25125 6057 1 9 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.005 2.893 25125 6058 1 9 . 1 1 101 101 TYR H H 101 9.546 9.546 7.357 2.189 25125 6059 1 9 . 1 1 102 102 LEU N N 102 124.100 124.100 119.099 5.001 25125 6060 1 9 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.089 -0.369 25125 6061 1 9 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.972 -1.473 25125 6062 1 9 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.699 -0.638 25125 6063 1 9 . 1 1 102 102 LEU H H 102 8.901 8.901 8.863 0.038 25125 6064 1 9 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.486 0.407 25125 6065 1 9 . 1 1 103 103 PRO C C 103 175.524 175.524 175.542 -0.018 25125 6066 1 9 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.575 -0.690 25125 6067 1 9 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.372 -0.565 25125 6068 1 9 . 1 1 104 104 LYS N N 104 118.848 118.848 121.348 -2.500 25125 6069 1 9 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.911 -0.398 25125 6070 1 9 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.310 -0.092 25125 6071 1 9 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.526 2.218 25125 6072 1 9 . 1 1 104 104 LYS H H 104 8.279 8.279 8.284 -0.005 25125 6073 1 9 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.365 -0.066 25125 6074 1 9 . 1 1 105 105 PRO C C 105 175.001 175.001 175.525 -0.524 25125 6075 1 9 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.623 -0.229 25125 6076 1 9 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.093 2.002 25125 6077 1 9 . 1 1 106 106 PHE N N 106 116.607 116.607 115.351 1.256 25125 6078 1 9 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.758 0.412 25125 6079 1 9 . 1 1 106 106 PHE C C 106 175.221 175.221 174.281 0.940 25125 6080 1 9 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.213 -2.778 25125 6081 1 9 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.905 0.495 25125 6082 1 9 . 1 1 106 106 PHE H H 106 7.457 7.457 7.396 0.061 25125 6083 1 9 . 1 1 107 107 ASP N N 107 122.214 122.214 122.219 -0.005 25125 6084 1 9 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125 6085 1 9 . 1 1 107 107 ASP C C 107 177.778 177.778 177.320 0.458 25125 6086 1 9 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.431 -0.189 25125 6087 1 9 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.238 1.359 25125 6088 1 9 . 1 1 107 107 ASP H H 107 9.022 9.022 8.555 0.467 25125 6089 1 9 . 1 1 108 108 ILE N N 108 127.706 127.706 125.472 2.234 25125 6090 1 9 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.743 0.222 25125 6091 1 9 . 1 1 108 108 ILE C C 108 176.046 176.046 177.456 -1.410 25125 6092 1 9 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.746 -1.757 25125 6093 1 9 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.105 -0.351 25125 6094 1 9 . 1 1 108 108 ILE H H 108 8.860 8.860 8.705 0.155 25125 6095 1 9 . 1 1 109 109 ASP N N 109 120.058 120.058 119.239 0.819 25125 6096 1 9 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.365 0.023 25125 6097 1 9 . 1 1 109 109 ASP C C 109 179.786 179.786 178.808 0.978 25125 6098 1 9 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.620 -0.126 25125 6099 1 9 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.490 -0.436 25125 6100 1 9 . 1 1 109 109 ASP H H 109 8.079 8.079 8.613 -0.534 25125 6101 1 9 . 1 1 110 110 GLU N N 110 121.559 121.559 119.307 2.252 25125 6102 1 9 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.219 -0.151 25125 6103 1 9 . 1 1 110 110 GLU C C 110 179.043 179.043 178.504 0.539 25125 6104 1 9 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.502 0.324 25125 6105 1 9 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.905 -0.562 25125 6106 1 9 . 1 1 110 110 GLU H H 110 8.012 8.012 7.990 0.022 25125 6107 1 9 . 1 1 111 111 ALA N N 111 122.267 122.267 123.354 -1.087 25125 6108 1 9 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.022 -0.268 25125 6109 1 9 . 1 1 111 111 ALA C C 111 178.493 178.493 179.386 -0.893 25125 6110 1 9 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.209 -0.037 25125 6111 1 9 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.274 0.108 25125 6112 1 9 . 1 1 111 111 ALA H H 111 7.897 7.897 8.151 -0.254 25125 6113 1 9 . 1 1 112 112 VAL N N 112 116.527 116.527 118.181 -1.654 25125 6114 1 9 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.489 -0.322 25125 6115 1 9 . 1 1 112 112 VAL C C 112 177.201 177.201 177.775 -0.574 25125 6116 1 9 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.617 0.528 25125 6117 1 9 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.663 -0.111 25125 6118 1 9 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125 6119 1 9 . 1 1 113 113 ALA N N 113 119.895 119.895 120.923 -1.028 25125 6120 1 9 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.206 -0.068 25125 6121 1 9 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.389 0.443 25125 6122 1 9 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.546 -0.674 25125 6123 1 9 . 1 1 113 113 ALA H H 113 7.673 7.673 7.438 0.235 25125 6124 1 9 . 1 1 114 114 LEU N N 114 120.650 120.650 120.761 -0.111 25125 6125 1 9 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.157 -0.074 25125 6126 1 9 . 1 1 114 114 LEU C C 114 178.466 178.466 178.402 0.064 25125 6127 1 9 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.733 0.287 25125 6128 1 9 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.105 -0.272 25125 6129 1 9 . 1 1 114 114 LEU H H 114 7.840 7.840 7.641 0.199 25125 6130 1 9 . 1 1 115 115 VAL N N 115 119.480 119.480 118.455 1.025 25125 6131 1 9 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.475 -0.263 25125 6132 1 9 . 1 1 115 115 VAL C C 115 177.448 177.448 177.045 0.403 25125 6133 1 9 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.980 2.221 25125 6134 1 9 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.482 -0.810 25125 6135 1 9 . 1 1 115 115 VAL H H 115 7.824 7.824 7.839 -0.015 25125 6136 1 9 . 1 1 116 116 GLU N N 116 117.473 117.473 119.854 -2.381 25125 6137 1 9 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.889 -0.100 25125 6138 1 9 . 1 1 116 116 GLU C C 116 179.566 179.566 178.947 0.619 25125 6139 1 9 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.834 0.096 25125 6140 1 9 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.211 -0.115 25125 6141 1 9 . 1 1 116 116 GLU H H 116 8.465 8.465 7.593 0.872 25125 6142 1 9 . 1 1 117 117 ARG N N 117 120.128 120.128 118.137 1.991 25125 6143 1 9 . 1 1 117 117 ARG HA H 117 4.064 4.064 3.975 0.089 25125 6144 1 9 . 1 1 117 117 ARG C C 117 178.438 178.438 178.267 0.171 25125 6145 1 9 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.604 -0.326 25125 6146 1 9 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.826 0.451 25125 6147 1 9 . 1 1 117 117 ARG H H 117 8.012 8.012 7.623 0.389 25125 6148 1 9 . 1 1 118 118 ALA N N 118 122.270 122.270 121.237 1.033 25125 6149 1 9 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.818 -0.362 25125 6150 1 9 . 1 1 118 118 ALA C C 118 178.741 178.741 179.089 -0.348 25125 6151 1 9 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.483 0.095 25125 6152 1 9 . 1 1 118 118 ALA CB C 118 18.158 18.158 17.931 0.227 25125 6153 1 9 . 1 1 118 118 ALA H H 118 7.958 7.958 7.345 0.613 25125 6154 1 9 . 1 1 119 119 ILE N N 119 115.269 115.269 116.824 -1.555 25125 6155 1 9 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.900 -0.172 25125 6156 1 9 . 1 1 119 119 ILE C C 119 177.366 177.366 178.248 -0.882 25125 6157 1 9 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.516 -0.847 25125 6158 1 9 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.319 -0.521 25125 6159 1 9 . 1 1 119 119 ILE H H 119 7.753 7.753 7.508 0.245 25125 6160 1 9 . 1 1 120 120 SER N N 120 115.135 115.135 115.953 -0.818 25125 6161 1 9 . 1 1 120 120 SER HA H 120 4.275 4.275 4.108 0.167 25125 6162 1 9 . 1 1 120 120 SER C C 120 175.084 175.084 176.181 -1.097 25125 6163 1 9 . 1 1 120 120 SER CA C 120 59.816 59.816 61.084 -1.268 25125 6164 1 9 . 1 1 120 120 SER CB C 120 63.380 63.380 62.960 0.420 25125 6165 1 9 . 1 1 120 120 SER H H 120 7.816 7.816 8.220 -0.404 25125 6166 1 9 . 1 1 121 121 HIS N N 121 119.908 119.908 120.250 -0.342 25125 6167 1 9 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.163 0.259 25125 6168 1 9 . 1 1 121 121 HIS C C 121 175.029 175.029 176.587 -1.558 25125 6169 1 9 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.973 -1.737 25125 6170 1 9 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.949 -0.521 25125 6171 1 9 . 1 1 121 121 HIS H H 121 7.910 7.910 7.949 -0.039 25125 6172 1 9 . 1 1 122 122 TYR N N 122 118.880 118.880 116.351 2.529 25125 6173 1 9 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.649 -0.223 25125 6174 1 9 . 1 1 122 122 TYR C C 122 175.276 175.276 176.137 -0.861 25125 6175 1 9 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.515 -0.066 25125 6176 1 9 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.364 -0.760 25125 6177 1 9 . 1 1 122 122 TYR H H 122 7.766 7.766 7.563 0.203 25125 6178 1 9 . 1 1 123 123 GLN N N 123 121.479 121.479 117.914 3.565 25125 6179 1 9 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.507 -0.237 25125 6180 1 9 . 1 1 123 123 GLN C C 123 174.534 174.534 175.120 -0.586 25125 6181 1 9 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.975 0.537 25125 6182 1 9 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.983 0.785 25125 6183 1 9 . 1 1 123 123 GLN H H 123 7.878 7.878 7.522 0.356 25125 6184 1 10 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.849 0.584 25125 6185 1 10 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.432 -0.868 25125 6186 1 10 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.790 2.811 25125 6187 1 10 . 1 1 3 3 ARG N N 3 121.252 121.252 117.102 4.150 25125 6188 1 10 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.080 0.285 25125 6189 1 10 . 1 1 3 3 ARG C C 3 175.634 175.634 175.907 -0.273 25125 6190 1 10 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.965 -0.974 25125 6191 1 10 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.101 1.196 25125 6192 1 10 . 1 1 3 3 ARG H H 3 8.429 8.429 8.165 0.264 25125 6193 1 10 . 1 1 4 4 GLY N N 4 107.663 107.663 107.736 -0.073 25125 6194 1 10 . 1 1 4 4 GLY C C 4 171.041 171.041 173.235 -2.194 25125 6195 1 10 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.510 0.806 25125 6196 1 10 . 1 1 4 4 GLY H H 4 7.963 7.963 7.639 0.324 25125 6197 1 10 . 1 1 5 5 ILE N N 5 122.603 122.603 124.357 -1.754 25125 6198 1 10 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.021 0.678 25125 6199 1 10 . 1 1 5 5 ILE C C 5 175.359 175.359 174.782 0.577 25125 6200 1 10 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.426 -0.816 25125 6201 1 10 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.308 0.268 25125 6202 1 10 . 1 1 5 5 ILE H H 5 9.610 9.610 8.276 1.334 25125 6203 1 10 . 1 1 6 6 VAL N N 6 127.905 127.905 125.334 2.571 25125 6204 1 10 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.860 -0.048 25125 6205 1 10 . 1 1 6 6 VAL C C 6 174.204 174.204 175.288 -1.084 25125 6206 1 10 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.439 -0.880 25125 6207 1 10 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.346 1.180 25125 6208 1 10 . 1 1 6 6 VAL H H 6 9.090 9.090 7.933 1.157 25125 6209 1 10 . 1 1 7 7 TRP N N 7 127.467 127.467 127.626 -0.159 25125 6210 1 10 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.355 1.099 25125 6211 1 10 . 1 1 7 7 TRP C C 7 175.056 175.056 175.056 0.000 25125 6212 1 10 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.248 -1.370 25125 6213 1 10 . 1 1 7 7 TRP CB C 7 33.134 33.134 33.054 0.080 25125 6214 1 10 . 1 1 7 7 TRP H H 7 8.497 8.497 8.802 -0.305 25125 6215 1 10 . 1 1 8 8 VAL N N 8 122.068 122.068 118.812 3.256 25125 6216 1 10 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.621 0.465 25125 6217 1 10 . 1 1 8 8 VAL C C 8 173.874 173.874 174.293 -0.419 25125 6218 1 10 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.963 -0.477 25125 6219 1 10 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.213 -0.498 25125 6220 1 10 . 1 1 8 8 VAL H H 8 8.583 8.583 9.448 -0.865 25125 6221 1 10 . 1 1 9 9 VAL N N 9 127.733 127.733 125.665 2.068 25125 6222 1 10 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.612 0.348 25125 6223 1 10 . 1 1 9 9 VAL C C 9 173.131 173.131 173.959 -0.828 25125 6224 1 10 . 1 1 9 9 VAL CA C 9 59.675 59.675 59.986 -0.311 25125 6225 1 10 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.106 0.805 25125 6226 1 10 . 1 1 9 9 VAL H H 9 9.107 9.107 8.386 0.721 25125 6227 1 10 . 1 1 10 10 ASP N N 10 124.306 124.306 123.453 0.853 25125 6228 1 10 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.811 -0.242 25125 6229 1 10 . 1 1 10 10 ASP C C 10 175.029 175.029 174.591 0.438 25125 6230 1 10 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.538 2.209 25125 6231 1 10 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.705 0.405 25125 6232 1 10 . 1 1 10 10 ASP H H 10 7.775 7.775 7.860 -0.085 25125 6233 1 10 . 1 1 11 11 ASP N N 11 126.714 126.714 118.226 8.488 25125 6234 1 10 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.995 -0.460 25125 6235 1 10 . 1 1 11 11 ASP C C 11 175.689 175.689 174.711 0.978 25125 6236 1 10 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.057 2.661 25125 6237 1 10 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.742 0.333 25125 6238 1 10 . 1 1 11 11 ASP H H 11 9.033 9.033 8.614 0.419 25125 6239 1 10 . 1 1 12 12 ASP N N 12 121.877 121.877 119.457 2.420 25125 6240 1 10 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.969 -0.323 25125 6241 1 10 . 1 1 12 12 ASP C C 12 177.036 177.036 176.524 0.512 25125 6242 1 10 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.940 0.363 25125 6243 1 10 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.343 -3.179 25125 6244 1 10 . 1 1 12 12 ASP H H 12 9.570 9.570 7.762 1.808 25125 6245 1 10 . 1 1 13 13 SER N N 13 123.799 123.799 118.648 5.151 25125 6246 1 10 . 1 1 13 13 SER HA H 13 3.761 3.761 4.327 -0.566 25125 6247 1 10 . 1 1 13 13 SER C C 13 176.156 176.156 176.197 -0.041 25125 6248 1 10 . 1 1 13 13 SER CA C 13 61.186 61.186 62.408 -1.222 25125 6249 1 10 . 1 1 13 13 SER CB C 13 62.749 62.749 63.459 -0.710 25125 6250 1 10 . 1 1 13 13 SER H H 13 8.850 8.850 8.732 0.118 25125 6251 1 10 . 1 1 14 14 SER N N 14 119.123 119.123 116.960 2.163 25125 6252 1 10 . 1 1 14 14 SER HA H 14 4.361 4.361 4.490 -0.129 25125 6253 1 10 . 1 1 14 14 SER C C 14 176.404 176.404 176.891 -0.487 25125 6254 1 10 . 1 1 14 14 SER CA C 14 61.730 61.730 60.914 0.816 25125 6255 1 10 . 1 1 14 14 SER CB C 14 62.548 62.548 62.952 -0.404 25125 6256 1 10 . 1 1 14 14 SER H H 14 8.531 8.531 8.382 0.149 25125 6257 1 10 . 1 1 15 15 ILE N N 15 123.637 123.637 122.429 1.208 25125 6258 1 10 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.019 -0.074 25125 6259 1 10 . 1 1 15 15 ILE C C 15 177.861 177.861 177.616 0.245 25125 6260 1 10 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.900 -1.700 25125 6261 1 10 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.124 -1.238 25125 6262 1 10 . 1 1 15 15 ILE H H 15 7.206 7.206 8.115 -0.909 25125 6263 1 10 . 1 1 16 16 ARG N N 16 116.694 116.694 120.154 -3.460 25125 6264 1 10 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.251 -0.528 25125 6265 1 10 . 1 1 16 16 ARG C C 16 177.448 177.448 178.348 -0.900 25125 6266 1 10 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.931 2.642 25125 6267 1 10 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.660 0.787 25125 6268 1 10 . 1 1 16 16 ARG H H 16 7.562 7.562 7.681 -0.119 25125 6269 1 10 . 1 1 17 17 TRP N N 17 116.848 116.848 123.072 -6.224 25125 6270 1 10 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.368 0.103 25125 6271 1 10 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.127 -0.687 25125 6272 1 10 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.628 -0.337 25125 6273 1 10 . 1 1 17 17 TRP H H 17 8.005 8.005 8.521 -0.516 25125 6274 1 10 . 1 1 18 18 VAL N N 18 116.964 116.964 115.641 1.323 25125 6275 1 10 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.715 0.960 25125 6276 1 10 . 1 1 18 18 VAL C C 18 179.181 179.181 177.794 1.387 25125 6277 1 10 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.410 0.298 25125 6278 1 10 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.095 0.542 25125 6279 1 10 . 1 1 18 18 VAL H H 18 8.110 8.110 7.540 0.570 25125 6280 1 10 . 1 1 19 19 LEU N N 19 120.186 120.186 117.648 2.538 25125 6281 1 10 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.148 -0.073 25125 6282 1 10 . 1 1 19 19 LEU C C 19 177.778 177.778 178.977 -1.199 25125 6283 1 10 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.862 0.960 25125 6284 1 10 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.559 0.222 25125 6285 1 10 . 1 1 19 19 LEU H H 19 8.073 8.073 7.631 0.442 25125 6286 1 10 . 1 1 20 20 GLU N N 20 120.193 120.193 120.173 0.020 25125 6287 1 10 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.010 -0.069 25125 6288 1 10 . 1 1 20 20 GLU C C 20 178.603 178.603 178.477 0.126 25125 6289 1 10 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.322 1.288 25125 6290 1 10 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.866 -0.778 25125 6291 1 10 . 1 1 20 20 GLU H H 20 8.387 8.387 7.997 0.390 25125 6292 1 10 . 1 1 21 21 ARG N N 21 116.076 116.076 118.266 -2.190 25125 6293 1 10 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.940 -0.047 25125 6294 1 10 . 1 1 21 21 ARG C C 21 179.676 179.676 178.379 1.297 25125 6295 1 10 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.941 -0.492 25125 6296 1 10 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.298 0.555 25125 6297 1 10 . 1 1 21 21 ARG H H 21 7.602 7.602 8.410 -0.808 25125 6298 1 10 . 1 1 22 22 ALA N N 22 122.405 122.405 122.257 0.148 25125 6299 1 10 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.096 0.001 25125 6300 1 10 . 1 1 22 22 ALA C C 22 180.501 180.501 178.870 1.631 25125 6301 1 10 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.344 0.234 25125 6302 1 10 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.335 0.897 25125 6303 1 10 . 1 1 22 22 ALA H H 22 7.992 7.992 7.617 0.375 25125 6304 1 10 . 1 1 23 23 LEU N N 23 118.026 118.026 118.334 -0.308 25125 6305 1 10 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.238 -0.237 25125 6306 1 10 . 1 1 23 23 LEU C C 23 178.878 178.878 179.132 -0.254 25125 6307 1 10 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.649 1.072 25125 6308 1 10 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.200 -2.545 25125 6309 1 10 . 1 1 23 23 LEU H H 23 8.825 8.825 7.579 1.246 25125 6310 1 10 . 1 1 24 24 ALA N N 24 122.159 122.159 122.475 -0.316 25125 6311 1 10 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.982 0.651 25125 6312 1 10 . 1 1 24 24 ALA C C 24 183.141 183.141 179.445 3.696 25125 6313 1 10 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.885 -0.137 25125 6314 1 10 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.424 -0.722 25125 6315 1 10 . 1 1 24 24 ALA H H 24 8.125 8.125 8.188 -0.063 25125 6316 1 10 . 1 1 25 25 GLY N N 25 106.891 106.891 103.826 3.065 25125 6317 1 10 . 1 1 25 25 GLY C C 25 174.286 174.286 174.574 -0.288 25125 6318 1 10 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.149 1.272 25125 6319 1 10 . 1 1 25 25 GLY H H 25 7.870 7.870 7.808 0.062 25125 6320 1 10 . 1 1 26 26 ALA N N 26 121.819 121.819 122.962 -1.143 25125 6321 1 10 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.511 -0.012 25125 6322 1 10 . 1 1 26 26 ALA C C 26 176.953 176.953 177.676 -0.723 25125 6323 1 10 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.867 -0.347 25125 6324 1 10 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.906 -1.184 25125 6325 1 10 . 1 1 26 26 ALA H H 26 7.285 7.285 7.639 -0.354 25125 6326 1 10 . 1 1 27 27 GLY N N 27 106.197 106.197 107.218 -1.021 25125 6327 1 10 . 1 1 27 27 GLY C C 27 173.956 173.956 173.818 0.138 25125 6328 1 10 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.024 0.292 25125 6329 1 10 . 1 1 27 27 GLY H H 27 7.824 7.824 8.030 -0.206 25125 6330 1 10 . 1 1 28 28 LEU N N 28 120.291 120.291 118.443 1.848 25125 6331 1 10 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.693 -0.118 25125 6332 1 10 . 1 1 28 28 LEU C C 28 175.881 175.881 176.186 -0.305 25125 6333 1 10 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.854 0.789 25125 6334 1 10 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.203 -1.718 25125 6335 1 10 . 1 1 28 28 LEU H H 28 7.678 7.678 7.618 0.060 25125 6336 1 10 . 1 1 29 29 THR N N 29 118.040 118.040 116.626 1.414 25125 6337 1 10 . 1 1 29 29 THR HA H 29 4.335 4.335 4.156 0.179 25125 6338 1 10 . 1 1 29 29 THR C C 29 173.186 173.186 174.063 -0.877 25125 6339 1 10 . 1 1 29 29 THR CA C 29 62.479 62.479 64.017 -1.538 25125 6340 1 10 . 1 1 29 29 THR CB C 29 69.465 69.465 69.374 0.091 25125 6341 1 10 . 1 1 29 29 THR H H 29 8.527 8.527 8.403 0.124 25125 6342 1 10 . 1 1 30 30 CYS N N 30 128.387 128.387 120.753 7.634 25125 6343 1 10 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.229 0.714 25125 6344 1 10 . 1 1 30 30 CYS C C 30 173.846 173.846 174.108 -0.262 25125 6345 1 10 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.566 -0.205 25125 6346 1 10 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.605 -1.125 25125 6347 1 10 . 1 1 30 30 CYS H H 30 8.968 8.968 8.337 0.631 25125 6348 1 10 . 1 1 31 31 THR N N 31 126.481 126.481 123.958 2.523 25125 6349 1 10 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125 6350 1 10 . 1 1 31 31 THR C C 31 172.609 172.609 173.276 -0.667 25125 6351 1 10 . 1 1 31 31 THR CA C 31 61.951 61.951 61.361 0.590 25125 6352 1 10 . 1 1 31 31 THR CB C 31 70.567 70.567 69.888 0.679 25125 6353 1 10 . 1 1 31 31 THR H H 31 8.614 8.614 8.444 0.170 25125 6354 1 10 . 1 1 32 32 THR N N 32 116.418 116.418 117.961 -1.543 25125 6355 1 10 . 1 1 32 32 THR HA H 32 5.330 5.330 4.766 0.564 25125 6356 1 10 . 1 1 32 32 THR C C 32 172.306 172.306 172.865 -0.559 25125 6357 1 10 . 1 1 32 32 THR CA C 32 59.173 59.173 60.384 -1.211 25125 6358 1 10 . 1 1 32 32 THR CB C 32 70.917 70.917 69.661 1.256 25125 6359 1 10 . 1 1 32 32 THR H H 32 8.299 8.299 8.089 0.210 25125 6360 1 10 . 1 1 33 33 PHE N N 33 118.067 118.067 122.804 -4.737 25125 6361 1 10 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.616 0.027 25125 6362 1 10 . 1 1 33 33 PHE C C 33 174.341 174.341 174.292 0.049 25125 6363 1 10 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.500 0.032 25125 6364 1 10 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.292 1.017 25125 6365 1 10 . 1 1 33 33 PHE H H 33 8.890 8.890 8.491 0.399 25125 6366 1 10 . 1 1 34 34 GLU N N 34 118.499 118.499 116.051 2.448 25125 6367 1 10 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.804 -0.450 25125 6368 1 10 . 1 1 34 34 GLU C C 34 175.414 175.414 174.803 0.611 25125 6369 1 10 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.121 0.571 25125 6370 1 10 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.297 1.170 25125 6371 1 10 . 1 1 34 34 GLU H H 34 9.023 9.023 8.631 0.392 25125 6372 1 10 . 1 1 35 35 ASN N N 35 109.907 109.907 117.849 -7.942 25125 6373 1 10 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.715 0.066 25125 6374 1 10 . 1 1 35 35 ASN C C 35 175.139 175.139 175.136 0.003 25125 6375 1 10 . 1 1 35 35 ASN CA C 35 52.146 52.146 54.348 -2.202 25125 6376 1 10 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.043 2.280 25125 6377 1 10 . 1 1 35 35 ASN H H 35 7.401 7.401 8.197 -0.796 25125 6378 1 10 . 1 1 36 36 GLY N N 36 106.739 106.739 108.221 -1.482 25125 6379 1 10 . 1 1 36 36 GLY C C 36 174.616 174.616 174.965 -0.349 25125 6380 1 10 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.676 1.340 25125 6381 1 10 . 1 1 36 36 GLY H H 36 8.877 8.877 8.480 0.397 25125 6382 1 10 . 1 1 37 37 ASN N N 37 120.462 120.462 119.634 0.828 25125 6383 1 10 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.351 0.011 25125 6384 1 10 . 1 1 37 37 ASN C C 37 178.686 178.686 176.828 1.858 25125 6385 1 10 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.593 0.939 25125 6386 1 10 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.193 -0.609 25125 6387 1 10 . 1 1 37 37 ASN H H 37 8.366 8.366 8.359 0.007 25125 6388 1 10 . 1 1 38 38 GLU N N 38 119.360 119.360 117.233 2.127 25125 6389 1 10 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.170 -0.100 25125 6390 1 10 . 1 1 38 38 GLU C C 38 179.263 179.263 177.227 2.036 25125 6391 1 10 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.811 0.821 25125 6392 1 10 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.374 1.158 25125 6393 1 10 . 1 1 38 38 GLU H H 38 7.990 7.990 8.626 -0.636 25125 6394 1 10 . 1 1 39 39 VAL N N 39 119.259 119.259 118.826 0.433 25125 6395 1 10 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.199 -0.431 25125 6396 1 10 . 1 1 39 39 VAL C C 39 176.431 176.431 177.519 -1.088 25125 6397 1 10 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.762 0.181 25125 6398 1 10 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.947 -0.872 25125 6399 1 10 . 1 1 39 39 VAL H H 39 6.883 6.883 7.729 -0.846 25125 6400 1 10 . 1 1 40 40 LEU N N 40 119.627 119.627 121.243 -1.616 25125 6401 1 10 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.013 -0.086 25125 6402 1 10 . 1 1 40 40 LEU C C 40 179.538 179.538 177.982 1.556 25125 6403 1 10 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.137 -0.197 25125 6404 1 10 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.341 -0.273 25125 6405 1 10 . 1 1 40 40 LEU H H 40 7.692 7.692 7.775 -0.083 25125 6406 1 10 . 1 1 41 41 ALA N N 41 120.051 120.051 119.714 0.337 25125 6407 1 10 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.136 0.004 25125 6408 1 10 . 1 1 41 41 ALA C C 41 180.528 180.528 179.218 1.310 25125 6409 1 10 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.468 0.182 25125 6410 1 10 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.988 -0.121 25125 6411 1 10 . 1 1 41 41 ALA H H 41 7.553 7.553 7.840 -0.287 25125 6412 1 10 . 1 1 42 42 ALA N N 42 122.731 122.731 122.071 0.660 25125 6413 1 10 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.174 0.025 25125 6414 1 10 . 1 1 42 42 ALA C C 42 180.198 180.198 180.438 -0.240 25125 6415 1 10 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.546 0.486 25125 6416 1 10 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.309 1.090 25125 6417 1 10 . 1 1 42 42 ALA H H 42 7.604 7.604 7.189 0.415 25125 6418 1 10 . 1 1 43 43 LEU N N 43 119.131 119.131 118.444 0.687 25125 6419 1 10 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.983 1.223 25125 6420 1 10 . 1 1 43 43 LEU C C 43 177.421 177.421 178.873 -1.452 25125 6421 1 10 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.497 -1.952 25125 6422 1 10 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.062 1.542 25125 6423 1 10 . 1 1 43 43 LEU H H 43 8.288 8.288 8.102 0.186 25125 6424 1 10 . 1 1 44 44 ALA N N 44 119.065 119.065 119.299 -0.234 25125 6425 1 10 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.213 0.016 25125 6426 1 10 . 1 1 44 44 ALA C C 44 178.686 178.686 178.635 0.051 25125 6427 1 10 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.752 0.486 25125 6428 1 10 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.496 0.020 25125 6429 1 10 . 1 1 44 44 ALA H H 44 7.302 7.302 7.787 -0.485 25125 6430 1 10 . 1 1 45 45 SER N N 45 108.656 108.656 115.729 -7.073 25125 6431 1 10 . 1 1 45 45 SER HA H 45 4.742 4.742 4.393 0.349 25125 6432 1 10 . 1 1 45 45 SER C C 45 173.296 173.296 176.341 -3.045 25125 6433 1 10 . 1 1 45 45 SER CA C 45 58.656 58.656 60.801 -2.146 25125 6434 1 10 . 1 1 45 45 SER CB C 45 65.407 65.407 63.733 1.674 25125 6435 1 10 . 1 1 45 45 SER H H 45 7.728 7.728 8.168 -0.440 25125 6436 1 10 . 1 1 46 46 LYS N N 46 123.016 123.016 116.970 6.046 25125 6437 1 10 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.624 -0.038 25125 6438 1 10 . 1 1 46 46 LYS C C 46 172.719 172.719 175.396 -2.677 25125 6439 1 10 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.445 -0.933 25125 6440 1 10 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.180 2.045 25125 6441 1 10 . 1 1 46 46 LYS H H 46 8.101 8.101 7.913 0.188 25125 6442 1 10 . 1 1 47 47 THR N N 47 111.780 111.780 113.444 -1.664 25125 6443 1 10 . 1 1 47 47 THR HA H 47 4.282 4.282 3.899 0.383 25125 6444 1 10 . 1 1 47 47 THR CA C 47 57.806 57.806 61.992 -4.186 25125 6445 1 10 . 1 1 47 47 THR CB C 47 70.594 70.594 67.464 3.130 25125 6446 1 10 . 1 1 47 47 THR H H 47 7.677 7.677 7.793 -0.116 25125 6447 1 10 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.908 -0.003 25125 6448 1 10 . 1 1 48 48 PRO C C 48 172.966 172.966 175.498 -2.532 25125 6449 1 10 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.024 -1.159 25125 6450 1 10 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.590 -1.313 25125 6451 1 10 . 1 1 49 49 ASP N N 49 115.035 115.035 118.102 -3.067 25125 6452 1 10 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.589 -0.145 25125 6453 1 10 . 1 1 49 49 ASP C C 49 175.634 175.634 175.618 0.016 25125 6454 1 10 . 1 1 49 49 ASP CA C 49 56.447 56.447 53.938 2.509 25125 6455 1 10 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.096 -0.584 25125 6456 1 10 . 1 1 49 49 ASP H H 49 8.502 8.502 7.946 0.556 25125 6457 1 10 . 1 1 50 50 VAL N N 50 112.082 112.082 115.162 -3.080 25125 6458 1 10 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.492 -0.212 25125 6459 1 10 . 1 1 50 50 VAL C C 50 171.454 171.454 172.767 -1.313 25125 6460 1 10 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.478 -0.916 25125 6461 1 10 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.583 0.053 25125 6462 1 10 . 1 1 50 50 VAL H H 50 7.173 7.173 7.116 0.057 25125 6463 1 10 . 1 1 51 51 LEU N N 51 128.247 128.247 125.321 2.926 25125 6464 1 10 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.400 -0.081 25125 6465 1 10 . 1 1 51 51 LEU C C 51 173.104 173.104 174.762 -1.658 25125 6466 1 10 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.397 -0.179 25125 6467 1 10 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.885 -0.379 25125 6468 1 10 . 1 1 51 51 LEU H H 51 8.059 8.059 8.246 -0.187 25125 6469 1 10 . 1 1 52 52 LEU N N 52 128.407 128.407 123.285 5.122 25125 6470 1 10 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.080 0.421 25125 6471 1 10 . 1 1 52 52 LEU C C 52 175.414 175.414 175.902 -0.488 25125 6472 1 10 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.306 0.017 25125 6473 1 10 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.136 1.385 25125 6474 1 10 . 1 1 52 52 LEU H H 52 9.242 9.242 8.636 0.606 25125 6475 1 10 . 1 1 53 53 SER N N 53 114.946 114.946 118.639 -3.693 25125 6476 1 10 . 1 1 53 53 SER HA H 53 5.595 5.595 4.599 0.996 25125 6477 1 10 . 1 1 53 53 SER C C 53 174.644 174.644 174.532 0.112 25125 6478 1 10 . 1 1 53 53 SER CA C 53 55.954 55.954 57.490 -1.536 25125 6479 1 10 . 1 1 53 53 SER CB C 53 66.473 66.473 65.261 1.212 25125 6480 1 10 . 1 1 53 53 SER H H 53 8.695 8.695 7.827 0.868 25125 6481 1 10 . 1 1 54 54 ASP N N 54 128.341 128.341 126.130 2.211 25125 6482 1 10 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.642 0.683 25125 6483 1 10 . 1 1 54 54 ASP C C 54 176.816 176.816 176.296 0.520 25125 6484 1 10 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.118 0.375 25125 6485 1 10 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.339 0.989 25125 6486 1 10 . 1 1 54 54 ASP H H 54 7.886 7.886 8.894 -1.008 25125 6487 1 10 . 1 1 55 55 ILE N N 55 121.229 121.229 117.085 4.144 25125 6488 1 10 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.707 0.478 25125 6489 1 10 . 1 1 55 55 ILE C C 55 175.084 175.084 174.480 0.604 25125 6490 1 10 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.239 -0.697 25125 6491 1 10 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.947 3.082 25125 6492 1 10 . 1 1 55 55 ILE H H 55 8.722 8.722 8.004 0.718 25125 6493 1 10 . 1 1 56 56 ARG N N 56 124.188 124.188 124.255 -0.067 25125 6494 1 10 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.516 -0.011 25125 6495 1 10 . 1 1 56 56 ARG C C 56 175.661 175.661 175.045 0.616 25125 6496 1 10 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.007 -0.565 25125 6497 1 10 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.405 -1.043 25125 6498 1 10 . 1 1 56 56 ARG H H 56 8.499 8.499 8.654 -0.155 25125 6499 1 10 . 1 1 57 57 MET N N 57 122.581 122.581 119.512 3.069 25125 6500 1 10 . 1 1 57 57 MET HA H 57 4.821 4.821 4.976 -0.155 25125 6501 1 10 . 1 1 57 57 MET CA C 57 53.132 53.132 52.559 0.573 25125 6502 1 10 . 1 1 57 57 MET CB C 57 33.445 33.445 32.464 0.981 25125 6503 1 10 . 1 1 57 57 MET H H 57 7.956 7.956 7.950 0.006 25125 6504 1 10 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.294 0.099 25125 6505 1 10 . 1 1 58 58 PRO C C 58 177.806 177.806 177.786 0.020 25125 6506 1 10 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.777 -1.278 25125 6507 1 10 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.549 0.258 25125 6508 1 10 . 1 1 59 59 GLY N N 59 111.082 111.082 108.486 2.596 25125 6509 1 10 . 1 1 59 59 GLY C C 59 173.626 173.626 174.363 -0.737 25125 6510 1 10 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.421 0.169 25125 6511 1 10 . 1 1 59 59 GLY H H 59 8.653 8.653 8.394 0.259 25125 6512 1 10 . 1 1 60 60 MET N N 60 120.052 120.052 119.462 0.590 25125 6513 1 10 . 1 1 60 60 MET HA H 60 4.525 4.525 4.543 -0.018 25125 6514 1 10 . 1 1 60 60 MET C C 60 173.956 173.956 175.145 -1.189 25125 6515 1 10 . 1 1 60 60 MET CA C 60 55.047 55.047 55.627 -0.580 25125 6516 1 10 . 1 1 60 60 MET CB C 60 34.506 34.506 34.207 0.299 25125 6517 1 10 . 1 1 60 60 MET H H 60 7.968 7.968 7.657 0.311 25125 6518 1 10 . 1 1 61 61 ASP N N 61 121.306 121.306 120.318 0.988 25125 6519 1 10 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.689 0.015 25125 6520 1 10 . 1 1 61 61 ASP C C 61 176.761 176.761 177.695 -0.934 25125 6521 1 10 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.812 -0.083 25125 6522 1 10 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.203 -0.134 25125 6523 1 10 . 1 1 61 61 ASP H H 61 8.379 8.379 8.612 -0.233 25125 6524 1 10 . 1 1 62 62 GLY N N 62 110.874 110.874 108.654 2.220 25125 6525 1 10 . 1 1 62 62 GLY C C 62 175.194 175.194 175.702 -0.508 25125 6526 1 10 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.760 0.341 25125 6527 1 10 . 1 1 62 62 GLY H H 62 8.707 8.707 8.169 0.538 25125 6528 1 10 . 1 1 63 63 LEU N N 63 121.299 121.299 120.519 0.780 25125 6529 1 10 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.334 -0.157 25125 6530 1 10 . 1 1 63 63 LEU C C 63 178.356 178.356 178.096 0.260 25125 6531 1 10 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.175 0.703 25125 6532 1 10 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.800 0.438 25125 6533 1 10 . 1 1 63 63 LEU H H 63 8.045 8.045 7.655 0.390 25125 6534 1 10 . 1 1 64 64 ALA N N 64 122.741 122.741 123.865 -1.124 25125 6535 1 10 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.005 0.057 25125 6536 1 10 . 1 1 64 64 ALA C C 64 180.556 180.556 178.682 1.874 25125 6537 1 10 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.081 -0.466 25125 6538 1 10 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.835 0.165 25125 6539 1 10 . 1 1 64 64 ALA H H 64 7.859 7.859 8.254 -0.395 25125 6540 1 10 . 1 1 65 65 LEU N N 65 120.287 120.287 114.173 6.114 25125 6541 1 10 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.405 -0.343 25125 6542 1 10 . 1 1 65 65 LEU C C 65 178.191 178.191 178.930 -0.739 25125 6543 1 10 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.381 1.638 25125 6544 1 10 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.017 -0.779 25125 6545 1 10 . 1 1 65 65 LEU H H 65 8.022 8.022 7.843 0.179 25125 6546 1 10 . 1 1 66 66 LEU N N 66 118.738 118.738 120.844 -2.106 25125 6547 1 10 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.093 -0.235 25125 6548 1 10 . 1 1 66 66 LEU C C 66 178.631 178.631 178.339 0.292 25125 6549 1 10 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.263 1.083 25125 6550 1 10 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.889 -0.651 25125 6551 1 10 . 1 1 66 66 LEU H H 66 8.101 8.101 7.566 0.535 25125 6552 1 10 . 1 1 67 67 LYS N N 67 117.842 117.842 117.947 -0.105 25125 6553 1 10 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.104 -0.122 25125 6554 1 10 . 1 1 67 67 LYS C C 67 179.263 179.263 178.189 1.074 25125 6555 1 10 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.640 1.157 25125 6556 1 10 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.960 0.247 25125 6557 1 10 . 1 1 67 67 LYS H H 67 8.010 8.010 8.414 -0.404 25125 6558 1 10 . 1 1 68 68 GLN N N 68 118.875 118.875 117.250 1.625 25125 6559 1 10 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.296 -0.240 25125 6560 1 10 . 1 1 68 68 GLN C C 68 179.071 179.071 177.488 1.583 25125 6561 1 10 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.098 0.975 25125 6562 1 10 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.132 -0.521 25125 6563 1 10 . 1 1 68 68 GLN H H 68 7.809 7.809 7.554 0.255 25125 6564 1 10 . 1 1 69 69 ILE N N 69 120.377 120.377 121.222 -0.845 25125 6565 1 10 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.936 -0.406 25125 6566 1 10 . 1 1 69 69 ILE C C 69 177.421 177.421 177.738 -0.317 25125 6567 1 10 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.707 1.171 25125 6568 1 10 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.857 -0.273 25125 6569 1 10 . 1 1 69 69 ILE H H 69 8.481 8.481 7.518 0.963 25125 6570 1 10 . 1 1 70 70 LYS N N 70 117.873 117.873 116.713 1.160 25125 6571 1 10 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.178 -0.218 25125 6572 1 10 . 1 1 70 70 LYS C C 70 178.053 178.053 177.605 0.448 25125 6573 1 10 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.004 -0.916 25125 6574 1 10 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.866 -0.654 25125 6575 1 10 . 1 1 70 70 LYS H H 70 8.220 8.220 8.056 0.164 25125 6576 1 10 . 1 1 71 71 GLN N N 71 116.315 116.315 118.112 -1.797 25125 6577 1 10 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.217 -0.225 25125 6578 1 10 . 1 1 71 71 GLN C C 71 177.366 177.366 177.958 -0.592 25125 6579 1 10 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.732 0.458 25125 6580 1 10 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.459 -0.793 25125 6581 1 10 . 1 1 71 71 GLN H H 71 7.601 7.601 7.747 -0.146 25125 6582 1 10 . 1 1 72 72 ARG N N 72 116.530 116.530 117.043 -0.513 25125 6583 1 10 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.098 -0.068 25125 6584 1 10 . 1 1 72 72 ARG C C 72 175.826 175.826 176.553 -0.727 25125 6585 1 10 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.498 -0.277 25125 6586 1 10 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.531 0.271 25125 6587 1 10 . 1 1 72 72 ARG H H 72 7.301 7.301 8.165 -0.864 25125 6588 1 10 . 1 1 73 73 HIS N N 73 116.755 116.755 115.878 0.877 25125 6589 1 10 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.086 -0.126 25125 6590 1 10 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.484 -0.266 25125 6591 1 10 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.549 1.013 25125 6592 1 10 . 1 1 73 73 HIS H H 73 8.331 8.331 7.777 0.554 25125 6593 1 10 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.397 0.102 25125 6594 1 10 . 1 1 74 74 PRO C C 74 178.466 178.466 177.754 0.712 25125 6595 1 10 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.042 0.071 25125 6596 1 10 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.160 -0.065 25125 6597 1 10 . 1 1 75 75 MET N N 75 114.814 114.814 114.734 0.080 25125 6598 1 10 . 1 1 75 75 MET HA H 75 4.567 4.567 4.414 0.153 25125 6599 1 10 . 1 1 75 75 MET C C 75 176.046 176.046 175.404 0.642 25125 6600 1 10 . 1 1 75 75 MET CA C 75 54.266 54.266 55.193 -0.927 25125 6601 1 10 . 1 1 75 75 MET CB C 75 31.288 31.288 31.267 0.021 25125 6602 1 10 . 1 1 75 75 MET H H 75 8.623 8.623 8.114 0.509 25125 6603 1 10 . 1 1 76 76 LEU N N 76 125.533 125.533 123.409 2.124 25125 6604 1 10 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.987 -0.682 25125 6605 1 10 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.557 1.555 25125 6606 1 10 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.409 0.276 25125 6607 1 10 . 1 1 76 76 LEU H H 76 7.337 7.337 7.124 0.213 25125 6608 1 10 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.479 -0.033 25125 6609 1 10 . 1 1 77 77 PRO C C 77 174.974 174.974 175.234 -0.260 25125 6610 1 10 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.502 0.325 25125 6611 1 10 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.880 -0.157 25125 6612 1 10 . 1 1 78 78 VAL N N 78 123.779 123.779 122.091 1.688 25125 6613 1 10 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.381 0.643 25125 6614 1 10 . 1 1 78 78 VAL C C 78 175.441 175.441 175.119 0.322 25125 6615 1 10 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.773 -0.580 25125 6616 1 10 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.758 -1.464 25125 6617 1 10 . 1 1 78 78 VAL H H 78 8.317 8.317 8.181 0.136 25125 6618 1 10 . 1 1 79 79 ILE N N 79 128.334 128.334 121.650 6.684 25125 6619 1 10 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.776 -0.295 25125 6620 1 10 . 1 1 79 79 ILE C C 79 174.479 174.479 174.624 -0.145 25125 6621 1 10 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.055 -0.533 25125 6622 1 10 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.647 -1.684 25125 6623 1 10 . 1 1 79 79 ILE H H 79 9.292 9.292 8.863 0.429 25125 6624 1 10 . 1 1 80 80 ILE N N 80 127.023 127.023 126.368 0.655 25125 6625 1 10 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.169 0.690 25125 6626 1 10 . 1 1 80 80 ILE C C 80 175.029 175.029 175.296 -0.267 25125 6627 1 10 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.008 -1.851 25125 6628 1 10 . 1 1 80 80 ILE CB C 80 37.944 37.944 36.952 0.992 25125 6629 1 10 . 1 1 80 80 ILE H H 80 7.938 7.938 8.854 -0.915 25125 6630 1 10 . 1 1 81 81 MET N N 81 127.255 127.255 128.806 -1.551 25125 6631 1 10 . 1 1 81 81 MET HA H 81 5.521 5.521 4.926 0.595 25125 6632 1 10 . 1 1 81 81 MET C C 81 174.534 174.534 175.504 -0.970 25125 6633 1 10 . 1 1 81 81 MET CA C 81 53.513 53.513 56.307 -2.795 25125 6634 1 10 . 1 1 81 81 MET CB C 81 35.483 35.483 34.041 1.442 25125 6635 1 10 . 1 1 81 81 MET H H 81 8.801 8.801 8.333 0.468 25125 6636 1 10 . 1 1 82 82 THR N N 82 112.857 112.857 117.299 -4.442 25125 6637 1 10 . 1 1 82 82 THR HA H 82 4.914 4.914 4.605 0.309 25125 6638 1 10 . 1 1 82 82 THR C C 82 172.581 172.581 173.192 -0.611 25125 6639 1 10 . 1 1 82 82 THR CA C 82 59.561 59.561 62.706 -3.145 25125 6640 1 10 . 1 1 82 82 THR CB C 82 69.989 69.989 70.337 -0.348 25125 6641 1 10 . 1 1 82 82 THR H H 82 7.623 7.623 8.324 -0.701 25125 6642 1 10 . 1 1 83 83 ALA N N 83 129.541 129.541 123.359 6.182 25125 6643 1 10 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.881 0.827 25125 6644 1 10 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.376 -0.838 25125 6645 1 10 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.857 1.290 25125 6646 1 10 . 1 1 83 83 ALA H H 83 9.149 9.149 7.970 1.179 25125 6647 1 10 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.159 0.113 25125 6648 1 10 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.813 3.887 25125 6649 1 10 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.772 1.246 25125 6650 1 10 . 1 1 85 85 SER N N 85 112.633 112.633 118.415 -5.782 25125 6651 1 10 . 1 1 85 85 SER HA H 85 4.198 4.198 4.038 0.160 25125 6652 1 10 . 1 1 85 85 SER C C 85 174.506 174.506 173.689 0.817 25125 6653 1 10 . 1 1 85 85 SER CA C 85 59.823 59.823 60.519 -0.696 25125 6654 1 10 . 1 1 85 85 SER CB C 85 62.693 62.693 62.178 0.515 25125 6655 1 10 . 1 1 85 85 SER H H 85 8.224 8.224 8.623 -0.399 25125 6656 1 10 . 1 1 86 86 ASP N N 86 120.886 120.886 125.696 -4.810 25125 6657 1 10 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.401 0.535 25125 6658 1 10 . 1 1 86 86 ASP C C 86 175.881 175.881 176.523 -0.642 25125 6659 1 10 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.456 -1.522 25125 6660 1 10 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.081 0.922 25125 6661 1 10 . 1 1 86 86 ASP H H 86 7.608 7.608 8.304 -0.696 25125 6662 1 10 . 1 1 87 87 LEU N N 87 121.913 121.913 121.701 0.212 25125 6663 1 10 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.636 0.283 25125 6664 1 10 . 1 1 87 87 LEU C C 87 177.586 177.586 177.555 0.031 25125 6665 1 10 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.889 -0.052 25125 6666 1 10 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.748 0.567 25125 6667 1 10 . 1 1 87 87 LEU H H 87 7.498 7.498 7.570 -0.072 25125 6668 1 10 . 1 1 88 88 ASP N N 88 117.621 117.621 117.276 0.345 25125 6669 1 10 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.240 0.032 25125 6670 1 10 . 1 1 88 88 ASP C C 88 178.246 178.246 177.607 0.639 25125 6671 1 10 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.480 -0.670 25125 6672 1 10 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.751 -0.617 25125 6673 1 10 . 1 1 88 88 ASP H H 88 8.322 8.322 8.609 -0.287 25125 6674 1 10 . 1 1 89 89 ALA N N 89 122.874 122.874 120.976 1.898 25125 6675 1 10 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.324 -0.230 25125 6676 1 10 . 1 1 89 89 ALA C C 89 179.346 179.346 179.079 0.267 25125 6677 1 10 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.414 -0.261 25125 6678 1 10 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.771 -0.510 25125 6679 1 10 . 1 1 89 89 ALA H H 89 7.838 7.838 7.386 0.452 25125 6680 1 10 . 1 1 90 90 ALA N N 90 121.673 121.673 121.475 0.198 25125 6681 1 10 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.238 -0.305 25125 6682 1 10 . 1 1 90 90 ALA C C 90 178.686 178.686 180.227 -1.541 25125 6683 1 10 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.478 0.185 25125 6684 1 10 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.266 0.116 25125 6685 1 10 . 1 1 90 90 ALA H H 90 7.896 7.896 7.519 0.377 25125 6686 1 10 . 1 1 91 91 VAL N N 91 117.749 117.749 119.049 -1.300 25125 6687 1 10 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.013 -0.401 25125 6688 1 10 . 1 1 91 91 VAL C C 91 178.411 178.411 177.255 1.156 25125 6689 1 10 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.559 -1.378 25125 6690 1 10 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.694 -0.057 25125 6691 1 10 . 1 1 91 91 VAL H H 91 8.098 8.098 8.707 -0.609 25125 6692 1 10 . 1 1 92 92 SER N N 92 114.942 114.942 113.403 1.539 25125 6693 1 10 . 1 1 92 92 SER HA H 92 4.231 4.231 4.440 -0.209 25125 6694 1 10 . 1 1 92 92 SER C C 92 175.826 175.826 175.500 0.326 25125 6695 1 10 . 1 1 92 92 SER CA C 92 60.649 60.649 59.812 0.837 25125 6696 1 10 . 1 1 92 92 SER CB C 92 63.063 63.063 64.084 -1.021 25125 6697 1 10 . 1 1 92 92 SER H H 92 7.825 7.825 7.872 -0.047 25125 6698 1 10 . 1 1 93 93 ALA N N 93 122.580 122.580 124.676 -2.096 25125 6699 1 10 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.165 -0.108 25125 6700 1 10 . 1 1 93 93 ALA C C 93 178.906 178.906 179.291 -0.385 25125 6701 1 10 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.470 -0.153 25125 6702 1 10 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.349 -0.052 25125 6703 1 10 . 1 1 93 93 ALA H H 93 7.861 7.861 7.788 0.073 25125 6704 1 10 . 1 1 94 94 TYR N N 94 118.447 118.447 120.708 -2.261 25125 6705 1 10 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.275 0.217 25125 6706 1 10 . 1 1 94 94 TYR C C 94 177.393 177.393 177.467 -0.074 25125 6707 1 10 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.915 -0.664 25125 6708 1 10 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.394 0.040 25125 6709 1 10 . 1 1 94 94 TYR H H 94 8.150 8.150 7.896 0.254 25125 6710 1 10 . 1 1 95 95 GLN N N 95 119.787 119.787 115.905 3.882 25125 6711 1 10 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.046 -0.003 25125 6712 1 10 . 1 1 95 95 GLN C C 95 176.981 176.981 176.582 0.399 25125 6713 1 10 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.972 0.494 25125 6714 1 10 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.752 0.337 25125 6715 1 10 . 1 1 95 95 GLN H H 95 8.271 8.271 8.006 0.265 25125 6716 1 10 . 1 1 96 96 GLN N N 96 117.878 117.878 118.500 -0.622 25125 6717 1 10 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.235 0.110 25125 6718 1 10 . 1 1 96 96 GLN C C 96 175.854 175.854 176.073 -0.219 25125 6719 1 10 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.119 0.052 25125 6720 1 10 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.160 0.315 25125 6721 1 10 . 1 1 96 96 GLN H H 96 7.944 7.944 7.743 0.201 25125 6722 1 10 . 1 1 97 97 GLY N N 97 106.670 106.670 105.479 1.191 25125 6723 1 10 . 1 1 97 97 GLY C C 97 174.231 174.231 173.084 1.147 25125 6724 1 10 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.776 0.710 25125 6725 1 10 . 1 1 97 97 GLY H H 97 7.949 7.949 7.910 0.039 25125 6726 1 10 . 1 1 98 98 ALA N N 98 122.898 122.898 120.658 2.240 25125 6727 1 10 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.382 -0.007 25125 6728 1 10 . 1 1 98 98 ALA C C 98 175.991 175.991 175.641 0.350 25125 6729 1 10 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.040 2.128 25125 6730 1 10 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.323 -1.355 25125 6731 1 10 . 1 1 98 98 ALA H H 98 7.808 7.808 7.121 0.687 25125 6732 1 10 . 1 1 99 99 PHE N N 99 123.484 123.484 119.274 4.210 25125 6733 1 10 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.393 -0.043 25125 6734 1 10 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.762 1.694 25125 6735 1 10 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.052 -0.612 25125 6736 1 10 . 1 1 99 99 PHE H H 99 7.704 7.704 8.216 -0.512 25125 6737 1 10 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.912 0.592 25125 6738 1 10 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.927 -1.445 25125 6739 1 10 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.059 4.141 25125 6740 1 10 . 1 1 101 101 TYR N N 101 118.148 118.148 120.745 -2.597 25125 6741 1 10 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.462 0.986 25125 6742 1 10 . 1 1 101 101 TYR C C 101 173.159 173.159 174.546 -1.387 25125 6743 1 10 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.496 -0.509 25125 6744 1 10 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.881 3.017 25125 6745 1 10 . 1 1 101 101 TYR H H 101 9.546 9.546 7.419 2.127 25125 6746 1 10 . 1 1 102 102 LEU N N 102 124.100 124.100 119.676 4.424 25125 6747 1 10 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.046 -0.326 25125 6748 1 10 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.725 -1.226 25125 6749 1 10 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.159 -0.098 25125 6750 1 10 . 1 1 102 102 LEU H H 102 8.901 8.901 8.156 0.745 25125 6751 1 10 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.570 0.323 25125 6752 1 10 . 1 1 103 103 PRO C C 103 175.524 175.524 175.653 -0.129 25125 6753 1 10 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.455 -0.570 25125 6754 1 10 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.783 -0.977 25125 6755 1 10 . 1 1 104 104 LYS N N 104 118.848 118.848 121.017 -2.169 25125 6756 1 10 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.958 -0.445 25125 6757 1 10 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.066 0.152 25125 6758 1 10 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.498 2.246 25125 6759 1 10 . 1 1 104 104 LYS H H 104 8.279 8.279 8.166 0.113 25125 6760 1 10 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.514 -0.215 25125 6761 1 10 . 1 1 105 105 PRO C C 105 175.001 175.001 175.667 -0.666 25125 6762 1 10 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.705 -0.311 25125 6763 1 10 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.096 1.999 25125 6764 1 10 . 1 1 106 106 PHE N N 106 116.607 116.607 114.360 2.247 25125 6765 1 10 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.793 0.377 25125 6766 1 10 . 1 1 106 106 PHE C C 106 175.221 175.221 174.225 0.996 25125 6767 1 10 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.997 -2.562 25125 6768 1 10 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.359 0.041 25125 6769 1 10 . 1 1 106 106 PHE H H 106 7.457 7.457 7.482 -0.025 25125 6770 1 10 . 1 1 107 107 ASP N N 107 122.214 122.214 122.480 -0.266 25125 6771 1 10 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.000 -0.168 25125 6772 1 10 . 1 1 107 107 ASP C C 107 177.778 177.778 176.725 1.053 25125 6773 1 10 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.644 -0.402 25125 6774 1 10 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.187 1.410 25125 6775 1 10 . 1 1 107 107 ASP H H 107 9.022 9.022 8.715 0.307 25125 6776 1 10 . 1 1 108 108 ILE N N 108 127.706 127.706 124.898 2.808 25125 6777 1 10 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.781 0.184 25125 6778 1 10 . 1 1 108 108 ILE C C 108 176.046 176.046 177.048 -1.002 25125 6779 1 10 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.210 -2.221 25125 6780 1 10 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.962 -0.208 25125 6781 1 10 . 1 1 108 108 ILE H H 108 8.860 8.860 8.749 0.111 25125 6782 1 10 . 1 1 109 109 ASP N N 109 120.058 120.058 118.679 1.379 25125 6783 1 10 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.371 0.017 25125 6784 1 10 . 1 1 109 109 ASP C C 109 179.786 179.786 179.196 0.590 25125 6785 1 10 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.786 -0.292 25125 6786 1 10 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.908 0.146 25125 6787 1 10 . 1 1 109 109 ASP H H 109 8.079 8.079 8.792 -0.713 25125 6788 1 10 . 1 1 110 110 GLU N N 110 121.559 121.559 119.819 1.740 25125 6789 1 10 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.270 -0.202 25125 6790 1 10 . 1 1 110 110 GLU C C 110 179.043 179.043 178.641 0.402 25125 6791 1 10 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.040 0.786 25125 6792 1 10 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.863 -0.520 25125 6793 1 10 . 1 1 110 110 GLU H H 110 8.012 8.012 8.033 -0.021 25125 6794 1 10 . 1 1 111 111 ALA N N 111 122.267 122.267 123.644 -1.377 25125 6795 1 10 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.075 -0.321 25125 6796 1 10 . 1 1 111 111 ALA C C 111 178.493 178.493 179.406 -0.913 25125 6797 1 10 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.255 -0.083 25125 6798 1 10 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.428 -0.046 25125 6799 1 10 . 1 1 111 111 ALA H H 111 7.897 7.897 8.373 -0.476 25125 6800 1 10 . 1 1 112 112 VAL N N 112 116.527 116.527 118.243 -1.716 25125 6801 1 10 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.502 -0.335 25125 6802 1 10 . 1 1 112 112 VAL C C 112 177.201 177.201 177.817 -0.616 25125 6803 1 10 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.798 0.347 25125 6804 1 10 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.718 -0.166 25125 6805 1 10 . 1 1 112 112 VAL H H 112 8.018 8.018 8.348 -0.330 25125 6806 1 10 . 1 1 113 113 ALA N N 113 119.895 119.895 120.827 -0.932 25125 6807 1 10 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.169 -0.031 25125 6808 1 10 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.382 0.450 25125 6809 1 10 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.617 -0.745 25125 6810 1 10 . 1 1 113 113 ALA H H 113 7.673 7.673 7.469 0.204 25125 6811 1 10 . 1 1 114 114 LEU N N 114 120.650 120.650 120.249 0.401 25125 6812 1 10 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.135 -0.052 25125 6813 1 10 . 1 1 114 114 LEU C C 114 178.466 178.466 178.223 0.243 25125 6814 1 10 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.746 0.274 25125 6815 1 10 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.009 -0.176 25125 6816 1 10 . 1 1 114 114 LEU H H 114 7.840 7.840 7.731 0.109 25125 6817 1 10 . 1 1 115 115 VAL N N 115 119.480 119.480 116.839 2.641 25125 6818 1 10 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.551 -0.339 25125 6819 1 10 . 1 1 115 115 VAL C C 115 177.448 177.448 176.789 0.659 25125 6820 1 10 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.876 2.325 25125 6821 1 10 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.639 -0.967 25125 6822 1 10 . 1 1 115 115 VAL H H 115 7.824 7.824 7.620 0.204 25125 6823 1 10 . 1 1 116 116 GLU N N 116 117.473 117.473 121.132 -3.659 25125 6824 1 10 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.840 -0.051 25125 6825 1 10 . 1 1 116 116 GLU C C 116 179.566 179.566 178.589 0.977 25125 6826 1 10 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.090 -0.160 25125 6827 1 10 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.442 -0.346 25125 6828 1 10 . 1 1 116 116 GLU H H 116 8.465 8.465 7.570 0.895 25125 6829 1 10 . 1 1 117 117 ARG N N 117 120.128 120.128 117.323 2.805 25125 6830 1 10 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.173 -0.109 25125 6831 1 10 . 1 1 117 117 ARG C C 117 178.438 178.438 178.377 0.061 25125 6832 1 10 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.911 0.367 25125 6833 1 10 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.854 0.423 25125 6834 1 10 . 1 1 117 117 ARG H H 117 8.012 8.012 7.860 0.152 25125 6835 1 10 . 1 1 118 118 ALA N N 118 122.270 122.270 122.052 0.218 25125 6836 1 10 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.101 -0.645 25125 6837 1 10 . 1 1 118 118 ALA C C 118 178.741 178.741 179.431 -0.690 25125 6838 1 10 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.303 0.275 25125 6839 1 10 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.725 -0.567 25125 6840 1 10 . 1 1 118 118 ALA H H 118 7.958 7.958 7.605 0.353 25125 6841 1 10 . 1 1 119 119 ILE N N 119 115.269 115.269 118.448 -3.179 25125 6842 1 10 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.080 -0.352 25125 6843 1 10 . 1 1 119 119 ILE C C 119 177.366 177.366 178.130 -0.764 25125 6844 1 10 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.430 -0.761 25125 6845 1 10 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.290 -0.492 25125 6846 1 10 . 1 1 119 119 ILE H H 119 7.753 7.753 8.110 -0.357 25125 6847 1 10 . 1 1 120 120 SER N N 120 115.135 115.135 114.485 0.650 25125 6848 1 10 . 1 1 120 120 SER HA H 120 4.275 4.275 4.225 0.050 25125 6849 1 10 . 1 1 120 120 SER C C 120 175.084 175.084 175.600 -0.516 25125 6850 1 10 . 1 1 120 120 SER CA C 120 59.816 59.816 61.132 -1.316 25125 6851 1 10 . 1 1 120 120 SER CB C 120 63.380 63.380 63.001 0.379 25125 6852 1 10 . 1 1 120 120 SER H H 120 7.816 7.816 8.497 -0.681 25125 6853 1 10 . 1 1 121 121 HIS N N 121 119.908 119.908 121.111 -1.203 25125 6854 1 10 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.283 0.139 25125 6855 1 10 . 1 1 121 121 HIS C C 121 175.029 175.029 177.654 -2.625 25125 6856 1 10 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.629 -2.393 25125 6857 1 10 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.961 -0.533 25125 6858 1 10 . 1 1 121 121 HIS H H 121 7.910 7.910 7.776 0.134 25125 6859 1 10 . 1 1 122 122 TYR N N 122 118.880 118.880 120.183 -1.303 25125 6860 1 10 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.247 0.179 25125 6861 1 10 . 1 1 122 122 TYR C C 122 175.276 175.276 177.356 -2.080 25125 6862 1 10 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.219 -2.770 25125 6863 1 10 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.266 0.338 25125 6864 1 10 . 1 1 122 122 TYR H H 122 7.766 7.766 7.903 -0.137 25125 6865 1 10 . 1 1 123 123 GLN N N 123 121.479 121.479 117.401 4.078 25125 6866 1 10 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.381 -0.111 25125 6867 1 10 . 1 1 123 123 GLN C C 123 174.534 174.534 174.707 -0.173 25125 6868 1 10 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.535 -0.023 25125 6869 1 10 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.059 1.709 25125 6870 1 10 . 1 1 123 123 GLN H H 123 7.878 7.878 8.175 -0.297 25125 6871 1 11 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.166 0.267 25125 6872 1 11 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.153 -1.589 25125 6873 1 11 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.235 1.365 25125 6874 1 11 . 1 1 3 3 ARG N N 3 121.252 121.252 125.613 -4.361 25125 6875 1 11 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.472 -0.107 25125 6876 1 11 . 1 1 3 3 ARG C C 3 175.634 175.634 174.683 0.951 25125 6877 1 11 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.103 -0.112 25125 6878 1 11 . 1 1 3 3 ARG CB C 3 31.297 31.297 32.463 -1.166 25125 6879 1 11 . 1 1 3 3 ARG H H 3 8.429 8.429 7.929 0.500 25125 6880 1 11 . 1 1 4 4 GLY N N 4 107.663 107.663 112.137 -4.474 25125 6881 1 11 . 1 1 4 4 GLY C C 4 171.041 171.041 174.769 -3.728 25125 6882 1 11 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.845 -0.529 25125 6883 1 11 . 1 1 4 4 GLY H H 4 7.963 7.963 8.679 -0.716 25125 6884 1 11 . 1 1 5 5 ILE N N 5 122.603 122.603 121.075 1.528 25125 6885 1 11 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.090 0.609 25125 6886 1 11 . 1 1 5 5 ILE C C 5 175.359 175.359 174.625 0.734 25125 6887 1 11 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.642 -1.032 25125 6888 1 11 . 1 1 5 5 ILE CB C 5 39.576 39.576 37.649 1.927 25125 6889 1 11 . 1 1 5 5 ILE H H 5 9.610 9.610 7.310 2.300 25125 6890 1 11 . 1 1 6 6 VAL N N 6 127.905 127.905 126.543 1.362 25125 6891 1 11 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.602 0.210 25125 6892 1 11 . 1 1 6 6 VAL C C 6 174.204 174.204 175.278 -1.074 25125 6893 1 11 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125 6894 1 11 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.019 1.507 25125 6895 1 11 . 1 1 6 6 VAL H H 6 9.090 9.090 7.834 1.256 25125 6896 1 11 . 1 1 7 7 TRP N N 7 127.467 127.467 129.570 -2.103 25125 6897 1 11 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.344 1.110 25125 6898 1 11 . 1 1 7 7 TRP C C 7 175.056 175.056 175.791 -0.735 25125 6899 1 11 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.320 -1.442 25125 6900 1 11 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.077 3.057 25125 6901 1 11 . 1 1 7 7 TRP H H 7 8.497 8.497 8.280 0.217 25125 6902 1 11 . 1 1 8 8 VAL N N 8 122.068 122.068 123.771 -1.703 25125 6903 1 11 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.651 0.435 25125 6904 1 11 . 1 1 8 8 VAL C C 8 173.874 173.874 174.783 -0.909 25125 6905 1 11 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.210 -0.724 25125 6906 1 11 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.447 1.268 25125 6907 1 11 . 1 1 8 8 VAL H H 8 8.583 8.583 9.293 -0.710 25125 6908 1 11 . 1 1 9 9 VAL N N 9 127.733 127.733 125.410 2.323 25125 6909 1 11 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.596 0.365 25125 6910 1 11 . 1 1 9 9 VAL C C 9 173.131 173.131 174.118 -0.987 25125 6911 1 11 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.329 -0.654 25125 6912 1 11 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.292 0.619 25125 6913 1 11 . 1 1 9 9 VAL H H 9 9.107 9.107 8.563 0.544 25125 6914 1 11 . 1 1 10 10 ASP N N 10 124.306 124.306 124.456 -0.150 25125 6915 1 11 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.950 -0.381 25125 6916 1 11 . 1 1 10 10 ASP C C 10 175.029 175.029 175.385 -0.356 25125 6917 1 11 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.216 2.531 25125 6918 1 11 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.586 0.523 25125 6919 1 11 . 1 1 10 10 ASP H H 10 7.775 7.775 7.785 -0.010 25125 6920 1 11 . 1 1 11 11 ASP N N 11 126.714 126.714 117.265 9.449 25125 6921 1 11 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.846 -0.311 25125 6922 1 11 . 1 1 11 11 ASP C C 11 175.689 175.689 175.213 0.476 25125 6923 1 11 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.653 2.065 25125 6924 1 11 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.670 0.404 25125 6925 1 11 . 1 1 11 11 ASP H H 11 9.033 9.033 8.622 0.411 25125 6926 1 11 . 1 1 12 12 ASP N N 12 121.877 121.877 119.284 2.593 25125 6927 1 11 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.971 -0.325 25125 6928 1 11 . 1 1 12 12 ASP C C 12 177.036 177.036 175.784 1.252 25125 6929 1 11 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.507 -0.204 25125 6930 1 11 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.493 -3.329 25125 6931 1 11 . 1 1 12 12 ASP H H 12 9.570 9.570 7.805 1.765 25125 6932 1 11 . 1 1 13 13 SER N N 13 123.799 123.799 118.608 5.191 25125 6933 1 11 . 1 1 13 13 SER HA H 13 3.761 3.761 4.239 -0.478 25125 6934 1 11 . 1 1 13 13 SER C C 13 176.156 176.156 176.003 0.153 25125 6935 1 11 . 1 1 13 13 SER CA C 13 61.186 61.186 62.279 -1.093 25125 6936 1 11 . 1 1 13 13 SER CB C 13 62.749 62.749 63.301 -0.552 25125 6937 1 11 . 1 1 13 13 SER H H 13 8.850 8.850 8.813 0.037 25125 6938 1 11 . 1 1 14 14 SER N N 14 119.123 119.123 116.250 2.873 25125 6939 1 11 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125 6940 1 11 . 1 1 14 14 SER C C 14 176.404 176.404 176.069 0.335 25125 6941 1 11 . 1 1 14 14 SER CA C 14 61.730 61.730 61.868 -0.138 25125 6942 1 11 . 1 1 14 14 SER CB C 14 62.548 62.548 62.808 -0.260 25125 6943 1 11 . 1 1 14 14 SER H H 14 8.531 8.531 8.883 -0.351 25125 6944 1 11 . 1 1 15 15 ILE N N 15 123.637 123.637 119.825 3.812 25125 6945 1 11 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.037 -0.092 25125 6946 1 11 . 1 1 15 15 ILE C C 15 177.861 177.861 177.231 0.630 25125 6947 1 11 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.107 -1.907 25125 6948 1 11 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.361 -1.476 25125 6949 1 11 . 1 1 15 15 ILE H H 15 7.206 7.206 7.939 -0.733 25125 6950 1 11 . 1 1 16 16 ARG N N 16 116.694 116.694 120.206 -3.512 25125 6951 1 11 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.339 -0.616 25125 6952 1 11 . 1 1 16 16 ARG C C 16 177.448 177.448 178.505 -1.057 25125 6953 1 11 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.896 2.677 25125 6954 1 11 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.862 0.585 25125 6955 1 11 . 1 1 16 16 ARG H H 16 7.562 7.562 7.552 0.010 25125 6956 1 11 . 1 1 17 17 TRP N N 17 116.848 116.848 123.301 -6.453 25125 6957 1 11 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.293 0.178 25125 6958 1 11 . 1 1 17 17 TRP CA C 17 60.440 60.440 62.014 -1.573 25125 6959 1 11 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.549 -0.257 25125 6960 1 11 . 1 1 17 17 TRP H H 17 8.005 8.005 8.845 -0.840 25125 6961 1 11 . 1 1 18 18 VAL N N 18 116.964 116.964 116.033 0.931 25125 6962 1 11 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.825 0.850 25125 6963 1 11 . 1 1 18 18 VAL C C 18 179.181 179.181 177.808 1.373 25125 6964 1 11 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.394 0.314 25125 6965 1 11 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.512 1.125 25125 6966 1 11 . 1 1 18 18 VAL H H 18 8.110 8.110 7.597 0.513 25125 6967 1 11 . 1 1 19 19 LEU N N 19 120.186 120.186 117.928 2.258 25125 6968 1 11 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.157 -0.082 25125 6969 1 11 . 1 1 19 19 LEU C C 19 177.778 177.778 178.991 -1.213 25125 6970 1 11 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.023 0.799 25125 6971 1 11 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.480 0.301 25125 6972 1 11 . 1 1 19 19 LEU H H 19 8.073 8.073 7.502 0.571 25125 6973 1 11 . 1 1 20 20 GLU N N 20 120.193 120.193 120.299 -0.106 25125 6974 1 11 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.098 -0.157 25125 6975 1 11 . 1 1 20 20 GLU C C 20 178.603 178.603 178.641 -0.038 25125 6976 1 11 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.215 1.395 25125 6977 1 11 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.989 -0.901 25125 6978 1 11 . 1 1 20 20 GLU H H 20 8.387 8.387 7.957 0.430 25125 6979 1 11 . 1 1 21 21 ARG N N 21 116.076 116.076 118.365 -2.289 25125 6980 1 11 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.932 -0.039 25125 6981 1 11 . 1 1 21 21 ARG C C 21 179.676 179.676 178.387 1.289 25125 6982 1 11 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.795 -0.346 25125 6983 1 11 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.211 0.642 25125 6984 1 11 . 1 1 21 21 ARG H H 21 7.602 7.602 8.423 -0.821 25125 6985 1 11 . 1 1 22 22 ALA N N 22 122.405 122.405 122.470 -0.065 25125 6986 1 11 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.033 0.064 25125 6987 1 11 . 1 1 22 22 ALA C C 22 180.501 180.501 179.173 1.328 25125 6988 1 11 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.657 -0.079 25125 6989 1 11 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.117 1.115 25125 6990 1 11 . 1 1 22 22 ALA H H 22 7.992 7.992 7.568 0.424 25125 6991 1 11 . 1 1 23 23 LEU N N 23 118.026 118.026 117.447 0.579 25125 6992 1 11 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.275 -0.274 25125 6993 1 11 . 1 1 23 23 LEU C C 23 178.878 178.878 178.939 -0.061 25125 6994 1 11 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.952 1.769 25125 6995 1 11 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.954 -2.299 25125 6996 1 11 . 1 1 23 23 LEU H H 23 8.825 8.825 7.497 1.328 25125 6997 1 11 . 1 1 24 24 ALA N N 24 122.159 122.159 121.936 0.223 25125 6998 1 11 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.051 0.582 25125 6999 1 11 . 1 1 24 24 ALA C C 24 183.141 183.141 178.649 4.492 25125 7000 1 11 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.379 0.368 25125 7001 1 11 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.630 -0.928 25125 7002 1 11 . 1 1 24 24 ALA H H 24 8.125 8.125 7.914 0.211 25125 7003 1 11 . 1 1 25 25 GLY N N 25 106.891 106.891 105.295 1.596 25125 7004 1 11 . 1 1 25 25 GLY C C 25 174.286 174.286 174.139 0.147 25125 7005 1 11 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.971 1.450 25125 7006 1 11 . 1 1 25 25 GLY H H 25 7.870 7.870 7.812 0.058 25125 7007 1 11 . 1 1 26 26 ALA N N 26 121.819 121.819 123.725 -1.906 25125 7008 1 11 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.593 -0.094 25125 7009 1 11 . 1 1 26 26 ALA C C 26 176.953 176.953 177.820 -0.867 25125 7010 1 11 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.100 0.419 25125 7011 1 11 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.076 -1.354 25125 7012 1 11 . 1 1 26 26 ALA H H 26 7.285 7.285 7.411 -0.126 25125 7013 1 11 . 1 1 27 27 GLY N N 27 106.197 106.197 106.635 -0.438 25125 7014 1 11 . 1 1 27 27 GLY C C 27 173.956 173.956 173.320 0.636 25125 7015 1 11 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.175 0.141 25125 7016 1 11 . 1 1 27 27 GLY H H 27 7.824 7.824 8.577 -0.753 25125 7017 1 11 . 1 1 28 28 LEU N N 28 120.291 120.291 118.789 1.502 25125 7018 1 11 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.943 -0.368 25125 7019 1 11 . 1 1 28 28 LEU C C 28 175.881 175.881 176.285 -0.404 25125 7020 1 11 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.246 1.397 25125 7021 1 11 . 1 1 28 28 LEU CB C 28 42.485 42.485 45.420 -2.935 25125 7022 1 11 . 1 1 28 28 LEU H H 28 7.678 7.678 7.249 0.429 25125 7023 1 11 . 1 1 29 29 THR N N 29 118.040 118.040 116.201 1.839 25125 7024 1 11 . 1 1 29 29 THR HA H 29 4.335 4.335 4.595 -0.260 25125 7025 1 11 . 1 1 29 29 THR C C 29 173.186 173.186 173.682 -0.496 25125 7026 1 11 . 1 1 29 29 THR CA C 29 62.479 62.479 62.220 0.259 25125 7027 1 11 . 1 1 29 29 THR CB C 29 69.465 69.465 70.329 -0.864 25125 7028 1 11 . 1 1 29 29 THR H H 29 8.527 8.527 8.602 -0.075 25125 7029 1 11 . 1 1 30 30 CYS N N 30 128.387 128.387 121.846 6.541 25125 7030 1 11 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.276 0.667 25125 7031 1 11 . 1 1 30 30 CYS C C 30 173.846 173.846 173.930 -0.084 25125 7032 1 11 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.113 0.249 25125 7033 1 11 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.624 -0.144 25125 7034 1 11 . 1 1 30 30 CYS H H 30 8.968 8.968 8.479 0.489 25125 7035 1 11 . 1 1 31 31 THR N N 31 126.481 126.481 124.308 2.173 25125 7036 1 11 . 1 1 31 31 THR HA H 31 4.433 4.433 4.395 0.038 25125 7037 1 11 . 1 1 31 31 THR C C 31 172.609 172.609 173.487 -0.878 25125 7038 1 11 . 1 1 31 31 THR CA C 31 61.951 61.951 61.798 0.153 25125 7039 1 11 . 1 1 31 31 THR CB C 31 70.567 70.567 70.176 0.391 25125 7040 1 11 . 1 1 31 31 THR H H 31 8.614 8.614 8.477 0.137 25125 7041 1 11 . 1 1 32 32 THR N N 32 116.418 116.418 117.581 -1.163 25125 7042 1 11 . 1 1 32 32 THR HA H 32 5.330 5.330 4.906 0.424 25125 7043 1 11 . 1 1 32 32 THR C C 32 172.306 172.306 172.781 -0.475 25125 7044 1 11 . 1 1 32 32 THR CA C 32 59.173 59.173 60.224 -1.051 25125 7045 1 11 . 1 1 32 32 THR CB C 32 70.917 70.917 70.171 0.746 25125 7046 1 11 . 1 1 32 32 THR H H 32 8.299 8.299 8.072 0.227 25125 7047 1 11 . 1 1 33 33 PHE N N 33 118.067 118.067 121.487 -3.420 25125 7048 1 11 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.664 -0.021 25125 7049 1 11 . 1 1 33 33 PHE C C 33 174.341 174.341 174.592 -0.251 25125 7050 1 11 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.628 -0.096 25125 7051 1 11 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.130 1.179 25125 7052 1 11 . 1 1 33 33 PHE H H 33 8.890 8.890 8.362 0.528 25125 7053 1 11 . 1 1 34 34 GLU N N 34 118.499 118.499 115.850 2.649 25125 7054 1 11 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.832 -0.478 25125 7055 1 11 . 1 1 34 34 GLU C C 34 175.414 175.414 175.773 -0.359 25125 7056 1 11 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.299 0.393 25125 7057 1 11 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.147 0.320 25125 7058 1 11 . 1 1 34 34 GLU H H 34 9.023 9.023 8.630 0.393 25125 7059 1 11 . 1 1 35 35 ASN N N 35 109.907 109.907 118.370 -8.463 25125 7060 1 11 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.914 -0.133 25125 7061 1 11 . 1 1 35 35 ASN C C 35 175.139 175.139 176.436 -1.297 25125 7062 1 11 . 1 1 35 35 ASN CA C 35 52.146 52.146 51.884 0.262 25125 7063 1 11 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.555 1.768 25125 7064 1 11 . 1 1 35 35 ASN H H 35 7.401 7.401 8.161 -0.760 25125 7065 1 11 . 1 1 36 36 GLY N N 36 106.739 106.739 111.812 -5.073 25125 7066 1 11 . 1 1 36 36 GLY C C 36 174.616 174.616 175.209 -0.593 25125 7067 1 11 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.071 -0.055 25125 7068 1 11 . 1 1 36 36 GLY H H 36 8.877 8.877 8.983 -0.106 25125 7069 1 11 . 1 1 37 37 ASN N N 37 120.462 120.462 118.668 1.794 25125 7070 1 11 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.531 -0.169 25125 7071 1 11 . 1 1 37 37 ASN C C 37 178.686 178.686 176.787 1.899 25125 7072 1 11 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.486 1.046 25125 7073 1 11 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.337 -0.753 25125 7074 1 11 . 1 1 37 37 ASN H H 37 8.366 8.366 8.576 -0.210 25125 7075 1 11 . 1 1 38 38 GLU N N 38 119.360 119.360 118.902 0.458 25125 7076 1 11 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.203 -0.133 25125 7077 1 11 . 1 1 38 38 GLU C C 38 179.263 179.263 177.794 1.469 25125 7078 1 11 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.407 0.225 25125 7079 1 11 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.869 0.663 25125 7080 1 11 . 1 1 38 38 GLU H H 38 7.990 7.990 7.930 0.060 25125 7081 1 11 . 1 1 39 39 VAL N N 39 119.259 119.259 118.951 0.308 25125 7082 1 11 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.137 -0.369 25125 7083 1 11 . 1 1 39 39 VAL C C 39 176.431 176.431 177.580 -1.149 25125 7084 1 11 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.789 1.154 25125 7085 1 11 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.392 -0.317 25125 7086 1 11 . 1 1 39 39 VAL H H 39 6.883 6.883 6.996 -0.113 25125 7087 1 11 . 1 1 40 40 LEU N N 40 119.627 119.627 121.215 -1.588 25125 7088 1 11 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.991 -0.064 25125 7089 1 11 . 1 1 40 40 LEU C C 40 179.538 179.538 178.124 1.414 25125 7090 1 11 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.160 -0.220 25125 7091 1 11 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.301 -0.233 25125 7092 1 11 . 1 1 40 40 LEU H H 40 7.692 7.692 7.670 0.022 25125 7093 1 11 . 1 1 41 41 ALA N N 41 120.051 120.051 119.993 0.058 25125 7094 1 11 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.132 0.008 25125 7095 1 11 . 1 1 41 41 ALA C C 41 180.528 180.528 179.546 0.982 25125 7096 1 11 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.467 0.183 25125 7097 1 11 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.933 -0.067 25125 7098 1 11 . 1 1 41 41 ALA H H 41 7.553 7.553 7.825 -0.272 25125 7099 1 11 . 1 1 42 42 ALA N N 42 122.731 122.731 122.335 0.396 25125 7100 1 11 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.049 0.150 25125 7101 1 11 . 1 1 42 42 ALA C C 42 180.198 180.198 180.244 -0.046 25125 7102 1 11 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.416 0.616 25125 7103 1 11 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.941 1.458 25125 7104 1 11 . 1 1 42 42 ALA H H 42 7.604 7.604 7.202 0.402 25125 7105 1 11 . 1 1 43 43 LEU N N 43 119.131 119.131 119.229 -0.098 25125 7106 1 11 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.119 1.087 25125 7107 1 11 . 1 1 43 43 LEU C C 43 177.421 177.421 179.495 -2.074 25125 7108 1 11 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.692 -2.147 25125 7109 1 11 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.153 1.451 25125 7110 1 11 . 1 1 43 43 LEU H H 43 8.288 8.288 7.890 0.398 25125 7111 1 11 . 1 1 44 44 ALA N N 44 119.065 119.065 119.470 -0.405 25125 7112 1 11 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.157 0.072 25125 7113 1 11 . 1 1 44 44 ALA C C 44 178.686 178.686 178.527 0.159 25125 7114 1 11 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.122 0.116 25125 7115 1 11 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.396 0.120 25125 7116 1 11 . 1 1 44 44 ALA H H 44 7.302 7.302 7.795 -0.493 25125 7117 1 11 . 1 1 45 45 SER N N 45 108.656 108.656 113.319 -4.663 25125 7118 1 11 . 1 1 45 45 SER HA H 45 4.742 4.742 4.444 0.298 25125 7119 1 11 . 1 1 45 45 SER C C 45 173.296 173.296 174.615 -1.319 25125 7120 1 11 . 1 1 45 45 SER CA C 45 58.656 58.656 59.998 -1.341 25125 7121 1 11 . 1 1 45 45 SER CB C 45 65.407 65.407 64.161 1.246 25125 7122 1 11 . 1 1 45 45 SER H H 45 7.728 7.728 7.978 -0.250 25125 7123 1 11 . 1 1 46 46 LYS N N 46 123.016 123.016 119.329 3.687 25125 7124 1 11 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.543 0.043 25125 7125 1 11 . 1 1 46 46 LYS C C 46 172.719 172.719 174.927 -2.208 25125 7126 1 11 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.083 -0.571 25125 7127 1 11 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.034 3.191 25125 7128 1 11 . 1 1 46 46 LYS H H 46 8.101 8.101 7.693 0.408 25125 7129 1 11 . 1 1 47 47 THR N N 47 111.780 111.780 119.155 -7.375 25125 7130 1 11 . 1 1 47 47 THR HA H 47 4.282 4.282 4.031 0.251 25125 7131 1 11 . 1 1 47 47 THR CA C 47 57.806 57.806 61.943 -4.136 25125 7132 1 11 . 1 1 47 47 THR CB C 47 70.594 70.594 68.450 2.144 25125 7133 1 11 . 1 1 47 47 THR H H 47 7.677 7.677 7.981 -0.304 25125 7134 1 11 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.907 -0.002 25125 7135 1 11 . 1 1 48 48 PRO C C 48 172.966 172.966 175.750 -2.784 25125 7136 1 11 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.993 -1.128 25125 7137 1 11 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.596 -1.319 25125 7138 1 11 . 1 1 49 49 ASP N N 49 115.035 115.035 119.853 -4.818 25125 7139 1 11 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.515 -0.071 25125 7140 1 11 . 1 1 49 49 ASP C C 49 175.634 175.634 175.682 -0.048 25125 7141 1 11 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.736 0.711 25125 7142 1 11 . 1 1 49 49 ASP CB C 49 42.512 42.512 41.347 1.165 25125 7143 1 11 . 1 1 49 49 ASP H H 49 8.502 8.502 8.324 0.178 25125 7144 1 11 . 1 1 50 50 VAL N N 50 112.082 112.082 114.719 -2.637 25125 7145 1 11 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.654 -0.374 25125 7146 1 11 . 1 1 50 50 VAL C C 50 171.454 171.454 173.192 -1.738 25125 7147 1 11 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.155 -0.593 25125 7148 1 11 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.816 -0.180 25125 7149 1 11 . 1 1 50 50 VAL H H 50 7.173 7.173 7.039 0.134 25125 7150 1 11 . 1 1 51 51 LEU N N 51 128.247 128.247 125.494 2.753 25125 7151 1 11 . 1 1 51 51 LEU HA H 51 5.319 5.319 4.968 0.351 25125 7152 1 11 . 1 1 51 51 LEU C C 51 173.104 173.104 174.678 -1.574 25125 7153 1 11 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.821 -0.603 25125 7154 1 11 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.257 0.249 25125 7155 1 11 . 1 1 51 51 LEU H H 51 8.059 8.059 7.942 0.117 25125 7156 1 11 . 1 1 52 52 LEU N N 52 128.407 128.407 123.724 4.683 25125 7157 1 11 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.944 0.557 25125 7158 1 11 . 1 1 52 52 LEU C C 52 175.414 175.414 175.835 -0.421 25125 7159 1 11 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.351 -0.028 25125 7160 1 11 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.978 1.543 25125 7161 1 11 . 1 1 52 52 LEU H H 52 9.242 9.242 8.982 0.260 25125 7162 1 11 . 1 1 53 53 SER N N 53 114.946 114.946 117.588 -2.642 25125 7163 1 11 . 1 1 53 53 SER HA H 53 5.595 5.595 4.505 1.090 25125 7164 1 11 . 1 1 53 53 SER C C 53 174.644 174.644 172.819 1.825 25125 7165 1 11 . 1 1 53 53 SER CA C 53 55.954 55.954 58.688 -2.733 25125 7166 1 11 . 1 1 53 53 SER CB C 53 66.473 66.473 64.626 1.847 25125 7167 1 11 . 1 1 53 53 SER H H 53 8.695 8.695 8.014 0.681 25125 7168 1 11 . 1 1 54 54 ASP N N 54 128.341 128.341 124.013 4.328 25125 7169 1 11 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.413 -0.088 25125 7170 1 11 . 1 1 54 54 ASP C C 54 176.816 176.816 176.563 0.253 25125 7171 1 11 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.681 1.812 25125 7172 1 11 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.657 -1.329 25125 7173 1 11 . 1 1 54 54 ASP H H 54 7.886 7.886 8.023 -0.137 25125 7174 1 11 . 1 1 55 55 ILE N N 55 121.229 121.229 126.605 -5.376 25125 7175 1 11 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.560 -0.375 25125 7176 1 11 . 1 1 55 55 ILE C C 55 175.084 175.084 175.357 -0.273 25125 7177 1 11 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.420 1.122 25125 7178 1 11 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.169 2.860 25125 7179 1 11 . 1 1 55 55 ILE H H 55 8.722 8.722 8.857 -0.135 25125 7180 1 11 . 1 1 56 56 ARG N N 56 124.188 124.188 124.144 0.044 25125 7181 1 11 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.562 -0.057 25125 7182 1 11 . 1 1 56 56 ARG C C 56 175.661 175.661 176.187 -0.526 25125 7183 1 11 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.233 -0.792 25125 7184 1 11 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.135 -1.773 25125 7185 1 11 . 1 1 56 56 ARG H H 56 8.499 8.499 7.858 0.641 25125 7186 1 11 . 1 1 57 57 MET N N 57 122.581 122.581 120.310 2.271 25125 7187 1 11 . 1 1 57 57 MET HA H 57 4.821 4.821 5.037 -0.216 25125 7188 1 11 . 1 1 57 57 MET CA C 57 53.132 53.132 51.879 1.253 25125 7189 1 11 . 1 1 57 57 MET CB C 57 33.445 33.445 32.276 1.169 25125 7190 1 11 . 1 1 57 57 MET H H 57 7.956 7.956 7.803 0.153 25125 7191 1 11 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.439 -0.046 25125 7192 1 11 . 1 1 58 58 PRO C C 58 177.806 177.806 178.336 -0.530 25125 7193 1 11 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.379 0.120 25125 7194 1 11 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.899 -0.092 25125 7195 1 11 . 1 1 59 59 GLY N N 59 111.082 111.082 108.309 2.773 25125 7196 1 11 . 1 1 59 59 GLY C C 59 173.626 173.626 175.502 -1.876 25125 7197 1 11 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.768 -1.178 25125 7198 1 11 . 1 1 59 59 GLY H H 59 8.653 8.653 8.499 0.154 25125 7199 1 11 . 1 1 60 60 MET N N 60 120.052 120.052 122.957 -2.905 25125 7200 1 11 . 1 1 60 60 MET HA H 60 4.525 4.525 4.261 0.264 25125 7201 1 11 . 1 1 60 60 MET C C 60 173.956 173.956 176.671 -2.715 25125 7202 1 11 . 1 1 60 60 MET CA C 60 55.047 55.047 57.099 -2.052 25125 7203 1 11 . 1 1 60 60 MET CB C 60 34.506 34.506 32.952 1.554 25125 7204 1 11 . 1 1 60 60 MET H H 60 7.968 7.968 8.348 -0.380 25125 7205 1 11 . 1 1 61 61 ASP N N 61 121.306 121.306 117.193 4.113 25125 7206 1 11 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.309 0.395 25125 7207 1 11 . 1 1 61 61 ASP C C 61 176.761 176.761 177.039 -0.278 25125 7208 1 11 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.395 -3.667 25125 7209 1 11 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.914 1.155 25125 7210 1 11 . 1 1 61 61 ASP H H 61 8.379 8.379 8.110 0.269 25125 7211 1 11 . 1 1 62 62 GLY N N 62 110.874 110.874 105.352 5.522 25125 7212 1 11 . 1 1 62 62 GLY C C 62 175.194 175.194 174.343 0.851 25125 7213 1 11 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.569 1.532 25125 7214 1 11 . 1 1 62 62 GLY H H 62 8.707 8.707 8.319 0.388 25125 7215 1 11 . 1 1 63 63 LEU N N 63 121.299 121.299 120.534 0.765 25125 7216 1 11 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.587 -0.410 25125 7217 1 11 . 1 1 63 63 LEU C C 63 178.356 178.356 177.947 0.409 25125 7218 1 11 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.187 1.691 25125 7219 1 11 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.215 1.022 25125 7220 1 11 . 1 1 63 63 LEU H H 63 8.045 8.045 7.961 0.084 25125 7221 1 11 . 1 1 64 64 ALA N N 64 122.741 122.741 122.643 0.098 25125 7222 1 11 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.037 0.025 25125 7223 1 11 . 1 1 64 64 ALA C C 64 180.556 180.556 178.550 2.006 25125 7224 1 11 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.240 -0.625 25125 7225 1 11 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.153 -0.153 25125 7226 1 11 . 1 1 64 64 ALA H H 64 7.859 7.859 7.887 -0.028 25125 7227 1 11 . 1 1 65 65 LEU N N 65 120.287 120.287 114.054 6.233 25125 7228 1 11 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.366 -0.304 25125 7229 1 11 . 1 1 65 65 LEU C C 65 178.191 178.191 178.874 -0.683 25125 7230 1 11 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.775 1.244 25125 7231 1 11 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.897 -0.659 25125 7232 1 11 . 1 1 65 65 LEU H H 65 8.022 8.022 7.402 0.620 25125 7233 1 11 . 1 1 66 66 LEU N N 66 118.738 118.738 120.962 -2.224 25125 7234 1 11 . 1 1 66 66 LEU HA H 66 3.858 3.858 3.956 -0.098 25125 7235 1 11 . 1 1 66 66 LEU C C 66 178.631 178.631 178.801 -0.170 25125 7236 1 11 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.645 -0.299 25125 7237 1 11 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.662 -0.424 25125 7238 1 11 . 1 1 66 66 LEU H H 66 8.101 8.101 7.792 0.309 25125 7239 1 11 . 1 1 67 67 LYS N N 67 117.842 117.842 116.588 1.254 25125 7240 1 11 . 1 1 67 67 LYS HA H 67 3.982 3.982 3.981 0.001 25125 7241 1 11 . 1 1 67 67 LYS C C 67 179.263 179.263 179.075 0.188 25125 7242 1 11 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.983 0.814 25125 7243 1 11 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.870 0.337 25125 7244 1 11 . 1 1 67 67 LYS H H 67 8.010 8.010 8.299 -0.289 25125 7245 1 11 . 1 1 68 68 GLN N N 68 118.875 118.875 117.219 1.656 25125 7246 1 11 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.243 -0.187 25125 7247 1 11 . 1 1 68 68 GLN C C 68 179.071 179.071 177.715 1.356 25125 7248 1 11 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.385 0.688 25125 7249 1 11 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.906 -0.295 25125 7250 1 11 . 1 1 68 68 GLN H H 68 7.809 7.809 8.271 -0.462 25125 7251 1 11 . 1 1 69 69 ILE N N 69 120.377 120.377 121.231 -0.854 25125 7252 1 11 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.962 -0.432 25125 7253 1 11 . 1 1 69 69 ILE C C 69 177.421 177.421 178.186 -0.765 25125 7254 1 11 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.408 1.470 25125 7255 1 11 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.551 0.033 25125 7256 1 11 . 1 1 69 69 ILE H H 69 8.481 8.481 7.740 0.741 25125 7257 1 11 . 1 1 70 70 LYS N N 70 117.873 117.873 118.493 -0.620 25125 7258 1 11 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.165 -0.205 25125 7259 1 11 . 1 1 70 70 LYS C C 70 178.053 178.053 177.505 0.548 25125 7260 1 11 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.391 -1.302 25125 7261 1 11 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.181 -0.969 25125 7262 1 11 . 1 1 70 70 LYS H H 70 8.220 8.220 7.616 0.604 25125 7263 1 11 . 1 1 71 71 GLN N N 71 116.315 116.315 116.484 -0.169 25125 7264 1 11 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.204 -0.212 25125 7265 1 11 . 1 1 71 71 GLN C C 71 177.366 177.366 177.586 -0.220 25125 7266 1 11 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.440 0.750 25125 7267 1 11 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.161 -0.496 25125 7268 1 11 . 1 1 71 71 GLN H H 71 7.601 7.601 7.346 0.255 25125 7269 1 11 . 1 1 72 72 ARG N N 72 116.530 116.530 117.580 -1.050 25125 7270 1 11 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.174 -0.144 25125 7271 1 11 . 1 1 72 72 ARG C C 72 175.826 175.826 175.481 0.345 25125 7272 1 11 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.705 0.517 25125 7273 1 11 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.067 -0.265 25125 7274 1 11 . 1 1 72 72 ARG H H 72 7.301 7.301 8.091 -0.790 25125 7275 1 11 . 1 1 73 73 HIS N N 73 116.755 116.755 117.298 -0.543 25125 7276 1 11 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.870 0.090 25125 7277 1 11 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.190 0.028 25125 7278 1 11 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.320 0.242 25125 7279 1 11 . 1 1 73 73 HIS H H 73 8.331 8.331 7.765 0.566 25125 7280 1 11 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.428 0.071 25125 7281 1 11 . 1 1 74 74 PRO C C 74 178.466 178.466 177.675 0.791 25125 7282 1 11 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.608 0.505 25125 7283 1 11 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.290 -0.195 25125 7284 1 11 . 1 1 75 75 MET N N 75 114.814 114.814 117.578 -2.764 25125 7285 1 11 . 1 1 75 75 MET HA H 75 4.567 4.567 4.302 0.265 25125 7286 1 11 . 1 1 75 75 MET C C 75 176.046 176.046 175.751 0.295 25125 7287 1 11 . 1 1 75 75 MET CA C 75 54.266 54.266 55.868 -1.602 25125 7288 1 11 . 1 1 75 75 MET CB C 75 31.288 31.288 32.352 -1.064 25125 7289 1 11 . 1 1 75 75 MET H H 75 8.623 8.623 7.707 0.916 25125 7290 1 11 . 1 1 76 76 LEU N N 76 125.533 125.533 120.319 5.214 25125 7291 1 11 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.378 -0.073 25125 7292 1 11 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.607 1.505 25125 7293 1 11 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.428 1.257 25125 7294 1 11 . 1 1 76 76 LEU H H 76 7.337 7.337 7.636 -0.299 25125 7295 1 11 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.488 -0.042 25125 7296 1 11 . 1 1 77 77 PRO C C 77 174.974 174.974 175.518 -0.544 25125 7297 1 11 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.384 0.443 25125 7298 1 11 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.235 -0.513 25125 7299 1 11 . 1 1 78 78 VAL N N 78 123.779 123.779 119.772 4.007 25125 7300 1 11 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.767 0.257 25125 7301 1 11 . 1 1 78 78 VAL C C 78 175.441 175.441 175.483 -0.042 25125 7302 1 11 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.226 -0.033 25125 7303 1 11 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.176 -1.883 25125 7304 1 11 . 1 1 78 78 VAL H H 78 8.317 8.317 8.027 0.290 25125 7305 1 11 . 1 1 79 79 ILE N N 79 128.334 128.334 122.448 5.886 25125 7306 1 11 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.779 -0.298 25125 7307 1 11 . 1 1 79 79 ILE C C 79 174.479 174.479 174.404 0.075 25125 7308 1 11 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.202 -0.680 25125 7309 1 11 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.235 -2.272 25125 7310 1 11 . 1 1 79 79 ILE H H 79 9.292 9.292 8.885 0.407 25125 7311 1 11 . 1 1 80 80 ILE N N 80 127.023 127.023 124.791 2.232 25125 7312 1 11 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.186 0.673 25125 7313 1 11 . 1 1 80 80 ILE C C 80 175.029 175.029 175.439 -0.410 25125 7314 1 11 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.001 -1.844 25125 7315 1 11 . 1 1 80 80 ILE CB C 80 37.944 37.944 36.951 0.993 25125 7316 1 11 . 1 1 80 80 ILE H H 80 7.938 7.938 8.755 -0.817 25125 7317 1 11 . 1 1 81 81 MET N N 81 127.255 127.255 128.095 -0.840 25125 7318 1 11 . 1 1 81 81 MET HA H 81 5.521 5.521 5.140 0.381 25125 7319 1 11 . 1 1 81 81 MET C C 81 174.534 174.534 175.961 -1.427 25125 7320 1 11 . 1 1 81 81 MET CA C 81 53.513 53.513 55.675 -2.162 25125 7321 1 11 . 1 1 81 81 MET CB C 81 35.483 35.483 33.250 2.233 25125 7322 1 11 . 1 1 81 81 MET H H 81 8.801 8.801 8.421 0.380 25125 7323 1 11 . 1 1 82 82 THR N N 82 112.857 112.857 116.928 -4.071 25125 7324 1 11 . 1 1 82 82 THR HA H 82 4.914 4.914 4.239 0.674 25125 7325 1 11 . 1 1 82 82 THR C C 82 172.581 172.581 173.639 -1.058 25125 7326 1 11 . 1 1 82 82 THR CA C 82 59.561 59.561 61.816 -2.255 25125 7327 1 11 . 1 1 82 82 THR CB C 82 69.989 69.989 69.337 0.652 25125 7328 1 11 . 1 1 82 82 THR H H 82 7.623 7.623 8.445 -0.822 25125 7329 1 11 . 1 1 83 83 ALA N N 83 129.541 129.541 123.451 6.090 25125 7330 1 11 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.793 0.915 25125 7331 1 11 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.218 -0.680 25125 7332 1 11 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.081 1.065 25125 7333 1 11 . 1 1 83 83 ALA H H 83 9.149 9.149 7.889 1.260 25125 7334 1 11 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.217 0.055 25125 7335 1 11 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.785 3.915 25125 7336 1 11 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.718 1.300 25125 7337 1 11 . 1 1 85 85 SER N N 85 112.633 112.633 115.419 -2.786 25125 7338 1 11 . 1 1 85 85 SER HA H 85 4.198 4.198 4.140 0.058 25125 7339 1 11 . 1 1 85 85 SER C C 85 174.506 174.506 175.997 -1.491 25125 7340 1 11 . 1 1 85 85 SER CA C 85 59.823 59.823 61.219 -1.396 25125 7341 1 11 . 1 1 85 85 SER CB C 85 62.693 62.693 62.590 0.103 25125 7342 1 11 . 1 1 85 85 SER H H 85 8.224 8.224 8.747 -0.523 25125 7343 1 11 . 1 1 86 86 ASP N N 86 120.886 120.886 121.508 -0.622 25125 7344 1 11 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.296 0.640 25125 7345 1 11 . 1 1 86 86 ASP C C 86 175.881 175.881 178.467 -2.586 25125 7346 1 11 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.285 -3.351 25125 7347 1 11 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.503 1.500 25125 7348 1 11 . 1 1 86 86 ASP H H 86 7.608 7.608 7.972 -0.364 25125 7349 1 11 . 1 1 87 87 LEU N N 87 121.913 121.913 118.760 3.153 25125 7350 1 11 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.828 0.091 25125 7351 1 11 . 1 1 87 87 LEU C C 87 177.586 177.586 177.957 -0.371 25125 7352 1 11 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.692 0.145 25125 7353 1 11 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.926 0.389 25125 7354 1 11 . 1 1 87 87 LEU H H 87 7.498 7.498 7.976 -0.478 25125 7355 1 11 . 1 1 88 88 ASP N N 88 117.621 117.621 118.772 -1.151 25125 7356 1 11 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.278 -0.006 25125 7357 1 11 . 1 1 88 88 ASP C C 88 178.246 178.246 177.351 0.895 25125 7358 1 11 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.665 -0.855 25125 7359 1 11 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.803 -0.669 25125 7360 1 11 . 1 1 88 88 ASP H H 88 8.322 8.322 7.904 0.418 25125 7361 1 11 . 1 1 89 89 ALA N N 89 122.874 122.874 119.442 3.432 25125 7362 1 11 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.407 -0.313 25125 7363 1 11 . 1 1 89 89 ALA C C 89 179.346 179.346 178.687 0.659 25125 7364 1 11 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.075 0.078 25125 7365 1 11 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.679 -0.418 25125 7366 1 11 . 1 1 89 89 ALA H H 89 7.838 7.838 7.379 0.459 25125 7367 1 11 . 1 1 90 90 ALA N N 90 121.673 121.673 121.144 0.529 25125 7368 1 11 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.221 -0.288 25125 7369 1 11 . 1 1 90 90 ALA C C 90 178.686 178.686 179.824 -1.138 25125 7370 1 11 . 1 1 90 90 ALA CA C 90 54.663 54.663 53.792 0.871 25125 7371 1 11 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.561 -0.179 25125 7372 1 11 . 1 1 90 90 ALA H H 90 7.896 7.896 7.612 0.284 25125 7373 1 11 . 1 1 91 91 VAL N N 91 117.749 117.749 118.981 -1.232 25125 7374 1 11 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.935 -0.323 25125 7375 1 11 . 1 1 91 91 VAL C C 91 178.411 178.411 177.119 1.292 25125 7376 1 11 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.946 -1.765 25125 7377 1 11 . 1 1 91 91 VAL CB C 91 31.637 31.637 32.027 -0.390 25125 7378 1 11 . 1 1 91 91 VAL H H 91 8.098 8.098 8.437 -0.339 25125 7379 1 11 . 1 1 92 92 SER N N 92 114.942 114.942 113.514 1.428 25125 7380 1 11 . 1 1 92 92 SER HA H 92 4.231 4.231 4.450 -0.219 25125 7381 1 11 . 1 1 92 92 SER C C 92 175.826 175.826 175.644 0.182 25125 7382 1 11 . 1 1 92 92 SER CA C 92 60.649 60.649 59.734 0.915 25125 7383 1 11 . 1 1 92 92 SER CB C 92 63.063 63.063 64.388 -1.325 25125 7384 1 11 . 1 1 92 92 SER H H 92 7.825 7.825 8.104 -0.279 25125 7385 1 11 . 1 1 93 93 ALA N N 93 122.580 122.580 124.159 -1.579 25125 7386 1 11 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.229 -0.172 25125 7387 1 11 . 1 1 93 93 ALA C C 93 178.906 178.906 179.416 -0.510 25125 7388 1 11 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.585 -0.268 25125 7389 1 11 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.584 -0.287 25125 7390 1 11 . 1 1 93 93 ALA H H 93 7.861 7.861 7.648 0.213 25125 7391 1 11 . 1 1 94 94 TYR N N 94 118.447 118.447 120.401 -1.954 25125 7392 1 11 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.248 0.244 25125 7393 1 11 . 1 1 94 94 TYR C C 94 177.393 177.393 177.626 -0.233 25125 7394 1 11 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.970 -0.719 25125 7395 1 11 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.158 0.276 25125 7396 1 11 . 1 1 94 94 TYR H H 94 8.150 8.150 8.008 0.142 25125 7397 1 11 . 1 1 95 95 GLN N N 95 119.787 119.787 115.824 3.963 25125 7398 1 11 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.004 0.039 25125 7399 1 11 . 1 1 95 95 GLN C C 95 176.981 176.981 176.431 0.550 25125 7400 1 11 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.782 0.684 25125 7401 1 11 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.779 0.311 25125 7402 1 11 . 1 1 95 95 GLN H H 95 8.271 8.271 7.998 0.273 25125 7403 1 11 . 1 1 96 96 GLN N N 96 117.878 117.878 118.806 -0.928 25125 7404 1 11 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.192 0.153 25125 7405 1 11 . 1 1 96 96 GLN C C 96 175.854 175.854 175.692 0.162 25125 7406 1 11 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.259 -0.088 25125 7407 1 11 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.305 0.170 25125 7408 1 11 . 1 1 96 96 GLN H H 96 7.944 7.944 7.627 0.317 25125 7409 1 11 . 1 1 97 97 GLY N N 97 106.670 106.670 104.394 2.276 25125 7410 1 11 . 1 1 97 97 GLY C C 97 174.231 174.231 173.096 1.135 25125 7411 1 11 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.660 0.826 25125 7412 1 11 . 1 1 97 97 GLY H H 97 7.949 7.949 7.243 0.706 25125 7413 1 11 . 1 1 98 98 ALA N N 98 122.898 122.898 120.430 2.468 25125 7414 1 11 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.411 -0.036 25125 7415 1 11 . 1 1 98 98 ALA C C 98 175.991 175.991 175.541 0.450 25125 7416 1 11 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.975 2.193 25125 7417 1 11 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.458 -1.489 25125 7418 1 11 . 1 1 98 98 ALA H H 98 7.808 7.808 7.061 0.747 25125 7419 1 11 . 1 1 99 99 PHE N N 99 123.484 123.484 119.130 4.354 25125 7420 1 11 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.419 -0.069 25125 7421 1 11 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.622 1.834 25125 7422 1 11 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.267 -0.827 25125 7423 1 11 . 1 1 99 99 PHE H H 99 7.704 7.704 8.290 -0.586 25125 7424 1 11 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.906 0.598 25125 7425 1 11 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.330 -1.848 25125 7426 1 11 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.336 3.865 25125 7427 1 11 . 1 1 101 101 TYR N N 101 118.148 118.148 120.832 -2.684 25125 7428 1 11 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.486 0.962 25125 7429 1 11 . 1 1 101 101 TYR C C 101 173.159 173.159 174.682 -1.523 25125 7430 1 11 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.649 -0.662 25125 7431 1 11 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.908 2.990 25125 7432 1 11 . 1 1 101 101 TYR H H 101 9.546 9.546 7.438 2.108 25125 7433 1 11 . 1 1 102 102 LEU N N 102 124.100 124.100 119.959 4.141 25125 7434 1 11 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.043 -0.323 25125 7435 1 11 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.623 -1.124 25125 7436 1 11 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.247 -0.186 25125 7437 1 11 . 1 1 102 102 LEU H H 102 8.901 8.901 8.199 0.702 25125 7438 1 11 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.604 0.289 25125 7439 1 11 . 1 1 103 103 PRO C C 103 175.524 175.524 175.773 -0.249 25125 7440 1 11 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.575 -0.691 25125 7441 1 11 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.761 -0.954 25125 7442 1 11 . 1 1 104 104 LYS N N 104 118.848 118.848 121.699 -2.851 25125 7443 1 11 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.782 -0.269 25125 7444 1 11 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.438 -0.220 25125 7445 1 11 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.468 1.276 25125 7446 1 11 . 1 1 104 104 LYS H H 104 8.279 8.279 8.194 0.085 25125 7447 1 11 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.341 -0.042 25125 7448 1 11 . 1 1 105 105 PRO C C 105 175.001 175.001 175.570 -0.569 25125 7449 1 11 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.761 -0.367 25125 7450 1 11 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.225 1.870 25125 7451 1 11 . 1 1 106 106 PHE N N 106 116.607 116.607 114.582 2.025 25125 7452 1 11 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.799 0.371 25125 7453 1 11 . 1 1 106 106 PHE C C 106 175.221 175.221 174.287 0.934 25125 7454 1 11 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.658 -2.223 25125 7455 1 11 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.287 0.113 25125 7456 1 11 . 1 1 106 106 PHE H H 106 7.457 7.457 7.465 -0.008 25125 7457 1 11 . 1 1 107 107 ASP N N 107 122.214 122.214 122.956 -0.742 25125 7458 1 11 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.010 -0.178 25125 7459 1 11 . 1 1 107 107 ASP C C 107 177.778 177.778 176.598 1.180 25125 7460 1 11 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.027 -0.785 25125 7461 1 11 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.291 1.306 25125 7462 1 11 . 1 1 107 107 ASP H H 107 9.022 9.022 8.679 0.343 25125 7463 1 11 . 1 1 108 108 ILE N N 108 127.706 127.706 124.869 2.837 25125 7464 1 11 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.754 0.211 25125 7465 1 11 . 1 1 108 108 ILE C C 108 176.046 176.046 177.116 -1.070 25125 7466 1 11 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.068 -2.079 25125 7467 1 11 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.016 -0.262 25125 7468 1 11 . 1 1 108 108 ILE H H 108 8.860 8.860 8.821 0.039 25125 7469 1 11 . 1 1 109 109 ASP N N 109 120.058 120.058 119.016 1.042 25125 7470 1 11 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.372 0.016 25125 7471 1 11 . 1 1 109 109 ASP C C 109 179.786 179.786 179.250 0.536 25125 7472 1 11 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.570 -0.076 25125 7473 1 11 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.785 0.269 25125 7474 1 11 . 1 1 109 109 ASP H H 109 8.079 8.079 8.655 -0.576 25125 7475 1 11 . 1 1 110 110 GLU N N 110 121.559 121.559 119.357 2.202 25125 7476 1 11 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.250 -0.182 25125 7477 1 11 . 1 1 110 110 GLU C C 110 179.043 179.043 178.552 0.491 25125 7478 1 11 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.200 0.626 25125 7479 1 11 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.089 -0.746 25125 7480 1 11 . 1 1 110 110 GLU H H 110 8.012 8.012 8.039 -0.027 25125 7481 1 11 . 1 1 111 111 ALA N N 111 122.267 122.267 123.459 -1.192 25125 7482 1 11 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.996 -0.242 25125 7483 1 11 . 1 1 111 111 ALA C C 111 178.493 178.493 179.555 -1.062 25125 7484 1 11 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.176 -0.004 25125 7485 1 11 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.235 0.146 25125 7486 1 11 . 1 1 111 111 ALA H H 111 7.897 7.897 8.097 -0.200 25125 7487 1 11 . 1 1 112 112 VAL N N 112 116.527 116.527 118.164 -1.637 25125 7488 1 11 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.553 -0.386 25125 7489 1 11 . 1 1 112 112 VAL C C 112 177.201 177.201 177.925 -0.724 25125 7490 1 11 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.559 0.586 25125 7491 1 11 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.640 -0.088 25125 7492 1 11 . 1 1 112 112 VAL H H 112 8.018 8.018 8.443 -0.425 25125 7493 1 11 . 1 1 113 113 ALA N N 113 119.895 119.895 120.931 -1.036 25125 7494 1 11 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.246 -0.108 25125 7495 1 11 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.353 0.479 25125 7496 1 11 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.534 -0.662 25125 7497 1 11 . 1 1 113 113 ALA H H 113 7.673 7.673 7.462 0.211 25125 7498 1 11 . 1 1 114 114 LEU N N 114 120.650 120.650 120.254 0.396 25125 7499 1 11 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.182 -0.099 25125 7500 1 11 . 1 1 114 114 LEU C C 114 178.466 178.466 178.169 0.297 25125 7501 1 11 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.559 0.462 25125 7502 1 11 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.066 -0.233 25125 7503 1 11 . 1 1 114 114 LEU H H 114 7.840 7.840 7.652 0.188 25125 7504 1 11 . 1 1 115 115 VAL N N 115 119.480 119.480 117.131 2.349 25125 7505 1 11 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.696 -0.484 25125 7506 1 11 . 1 1 115 115 VAL C C 115 177.448 177.448 177.044 0.404 25125 7507 1 11 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.049 2.152 25125 7508 1 11 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.687 -1.015 25125 7509 1 11 . 1 1 115 115 VAL H H 115 7.824 7.824 7.653 0.171 25125 7510 1 11 . 1 1 116 116 GLU N N 116 117.473 117.473 120.555 -3.082 25125 7511 1 11 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.880 -0.091 25125 7512 1 11 . 1 1 116 116 GLU C C 116 179.566 179.566 178.724 0.842 25125 7513 1 11 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.959 -0.029 25125 7514 1 11 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.518 -0.422 25125 7515 1 11 . 1 1 116 116 GLU H H 116 8.465 8.465 7.520 0.945 25125 7516 1 11 . 1 1 117 117 ARG N N 117 120.128 120.128 117.218 2.910 25125 7517 1 11 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.222 -0.158 25125 7518 1 11 . 1 1 117 117 ARG C C 117 178.438 178.438 177.251 1.187 25125 7519 1 11 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.430 0.848 25125 7520 1 11 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.866 0.412 25125 7521 1 11 . 1 1 117 117 ARG H H 117 8.012 8.012 7.763 0.249 25125 7522 1 11 . 1 1 118 118 ALA N N 118 122.270 122.270 121.647 0.623 25125 7523 1 11 . 1 1 118 118 ALA HA H 118 3.456 3.456 4.120 -0.664 25125 7524 1 11 . 1 1 118 118 ALA C C 118 178.741 178.741 179.016 -0.275 25125 7525 1 11 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.959 0.619 25125 7526 1 11 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.482 -1.324 25125 7527 1 11 . 1 1 118 118 ALA H H 118 7.958 7.958 7.668 0.290 25125 7528 1 11 . 1 1 119 119 ILE N N 119 115.269 115.269 116.244 -0.975 25125 7529 1 11 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.132 -0.404 25125 7530 1 11 . 1 1 119 119 ILE C C 119 177.366 177.366 177.211 0.155 25125 7531 1 11 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.365 0.304 25125 7532 1 11 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.206 -0.408 25125 7533 1 11 . 1 1 119 119 ILE H H 119 7.753 7.753 8.071 -0.318 25125 7534 1 11 . 1 1 120 120 SER N N 120 115.135 115.135 113.284 1.851 25125 7535 1 11 . 1 1 120 120 SER HA H 120 4.275 4.275 4.432 -0.157 25125 7536 1 11 . 1 1 120 120 SER C C 120 175.084 175.084 174.714 0.370 25125 7537 1 11 . 1 1 120 120 SER CA C 120 59.816 59.816 59.613 0.203 25125 7538 1 11 . 1 1 120 120 SER CB C 120 63.380 63.380 62.498 0.882 25125 7539 1 11 . 1 1 120 120 SER H H 120 7.816 7.816 8.285 -0.469 25125 7540 1 11 . 1 1 121 121 HIS N N 121 119.908 119.908 122.042 -2.134 25125 7541 1 11 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.473 -0.051 25125 7542 1 11 . 1 1 121 121 HIS C C 121 175.029 175.029 175.521 -0.492 25125 7543 1 11 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.869 -1.633 25125 7544 1 11 . 1 1 121 121 HIS CB C 121 29.428 29.428 30.792 -1.364 25125 7545 1 11 . 1 1 121 121 HIS H H 121 7.910 7.910 7.595 0.315 25125 7546 1 11 . 1 1 122 122 TYR N N 122 118.880 118.880 114.371 4.509 25125 7547 1 11 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.749 -0.323 25125 7548 1 11 . 1 1 122 122 TYR C C 122 175.276 175.276 174.942 0.334 25125 7549 1 11 . 1 1 122 122 TYR CA C 122 58.449 58.449 57.075 1.374 25125 7550 1 11 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.594 0.010 25125 7551 1 11 . 1 1 122 122 TYR H H 122 7.766 7.766 8.061 -0.295 25125 7552 1 11 . 1 1 123 123 GLN N N 123 121.479 121.479 117.947 3.532 25125 7553 1 11 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.102 0.168 25125 7554 1 11 . 1 1 123 123 GLN C C 123 174.534 174.534 175.535 -1.001 25125 7555 1 11 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.664 -0.152 25125 7556 1 11 . 1 1 123 123 GLN CB C 123 29.768 29.768 30.064 -0.296 25125 7557 1 11 . 1 1 123 123 GLN H H 123 7.878 7.878 7.367 0.511 25125 7558 1 12 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.163 0.270 25125 7559 1 12 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.896 -1.332 25125 7560 1 12 . 1 1 2 2 GLN CB C 2 29.600 29.600 28.546 1.054 25125 7561 1 12 . 1 1 3 3 ARG N N 3 121.252 121.252 118.502 2.750 25125 7562 1 12 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.469 -0.104 25125 7563 1 12 . 1 1 3 3 ARG C C 3 175.634 175.634 174.713 0.921 25125 7564 1 12 . 1 1 3 3 ARG CA C 3 55.991 55.991 55.537 0.454 25125 7565 1 12 . 1 1 3 3 ARG CB C 3 31.297 31.297 31.150 0.147 25125 7566 1 12 . 1 1 3 3 ARG H H 3 8.429 8.429 8.140 0.289 25125 7567 1 12 . 1 1 4 4 GLY N N 4 107.663 107.663 109.454 -1.791 25125 7568 1 12 . 1 1 4 4 GLY C C 4 171.041 171.041 173.456 -2.415 25125 7569 1 12 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.075 0.241 25125 7570 1 12 . 1 1 4 4 GLY H H 4 7.963 7.963 7.752 0.211 25125 7571 1 12 . 1 1 5 5 ILE N N 5 122.603 122.603 125.451 -2.848 25125 7572 1 12 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.065 0.634 25125 7573 1 12 . 1 1 5 5 ILE C C 5 175.359 175.359 175.105 0.254 25125 7574 1 12 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.680 -1.070 25125 7575 1 12 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.531 0.045 25125 7576 1 12 . 1 1 5 5 ILE H H 5 9.610 9.610 8.069 1.541 25125 7577 1 12 . 1 1 6 6 VAL N N 6 127.905 127.905 124.041 3.864 25125 7578 1 12 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.042 -0.230 25125 7579 1 12 . 1 1 6 6 VAL C C 6 174.204 174.204 175.431 -1.227 25125 7580 1 12 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.299 -0.740 25125 7581 1 12 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.124 0.402 25125 7582 1 12 . 1 1 6 6 VAL H H 6 9.090 9.090 8.025 1.065 25125 7583 1 12 . 1 1 7 7 TRP N N 7 127.467 127.467 128.067 -0.600 25125 7584 1 12 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.125 1.329 25125 7585 1 12 . 1 1 7 7 TRP C C 7 175.056 175.056 175.177 -0.121 25125 7586 1 12 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.511 -1.633 25125 7587 1 12 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.214 1.920 25125 7588 1 12 . 1 1 7 7 TRP H H 7 8.497 8.497 8.266 0.231 25125 7589 1 12 . 1 1 8 8 VAL N N 8 122.068 122.068 121.334 0.734 25125 7590 1 12 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.459 0.627 25125 7591 1 12 . 1 1 8 8 VAL C C 8 173.874 173.874 173.874 0.000 25125 7592 1 12 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.667 -1.181 25125 7593 1 12 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.179 1.536 25125 7594 1 12 . 1 1 8 8 VAL H H 8 8.583 8.583 9.213 -0.630 25125 7595 1 12 . 1 1 9 9 VAL N N 9 127.733 127.733 125.574 2.159 25125 7596 1 12 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.545 0.416 25125 7597 1 12 . 1 1 9 9 VAL C C 9 173.131 173.131 173.404 -0.273 25125 7598 1 12 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.781 -1.106 25125 7599 1 12 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.813 0.098 25125 7600 1 12 . 1 1 9 9 VAL H H 9 9.107 9.107 8.692 0.415 25125 7601 1 12 . 1 1 10 10 ASP N N 10 124.306 124.306 127.761 -3.455 25125 7602 1 12 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.988 -0.419 25125 7603 1 12 . 1 1 10 10 ASP C C 10 175.029 175.029 174.806 0.223 25125 7604 1 12 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.291 1.456 25125 7605 1 12 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.936 -0.827 25125 7606 1 12 . 1 1 10 10 ASP H H 10 7.775 7.775 8.347 -0.572 25125 7607 1 12 . 1 1 11 11 ASP N N 11 126.714 126.714 119.381 7.333 25125 7608 1 12 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.781 -0.246 25125 7609 1 12 . 1 1 11 11 ASP C C 11 175.689 175.689 175.062 0.627 25125 7610 1 12 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.646 1.072 25125 7611 1 12 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.666 0.408 25125 7612 1 12 . 1 1 11 11 ASP H H 11 9.033 9.033 8.728 0.305 25125 7613 1 12 . 1 1 12 12 ASP N N 12 121.877 121.877 118.873 3.004 25125 7614 1 12 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.950 -0.304 25125 7615 1 12 . 1 1 12 12 ASP C C 12 177.036 177.036 176.103 0.933 25125 7616 1 12 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.358 -0.055 25125 7617 1 12 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.765 -2.601 25125 7618 1 12 . 1 1 12 12 ASP H H 12 9.570 9.570 7.980 1.590 25125 7619 1 12 . 1 1 13 13 SER N N 13 123.799 123.799 118.852 4.947 25125 7620 1 12 . 1 1 13 13 SER HA H 13 3.761 3.761 4.250 -0.489 25125 7621 1 12 . 1 1 13 13 SER C C 13 176.156 176.156 175.910 0.246 25125 7622 1 12 . 1 1 13 13 SER CA C 13 61.186 61.186 61.831 -0.645 25125 7623 1 12 . 1 1 13 13 SER CB C 13 62.749 62.749 63.289 -0.540 25125 7624 1 12 . 1 1 13 13 SER H H 13 8.850 8.850 8.851 -0.001 25125 7625 1 12 . 1 1 14 14 SER N N 14 119.123 119.123 116.693 2.430 25125 7626 1 12 . 1 1 14 14 SER HA H 14 4.361 4.361 4.340 0.021 25125 7627 1 12 . 1 1 14 14 SER C C 14 176.404 176.404 176.367 0.037 25125 7628 1 12 . 1 1 14 14 SER CA C 14 61.730 61.730 61.118 0.612 25125 7629 1 12 . 1 1 14 14 SER CB C 14 62.548 62.548 62.815 -0.266 25125 7630 1 12 . 1 1 14 14 SER H H 14 8.531 8.531 8.783 -0.252 25125 7631 1 12 . 1 1 15 15 ILE N N 15 123.637 123.637 120.779 2.858 25125 7632 1 12 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.951 -0.006 25125 7633 1 12 . 1 1 15 15 ILE C C 15 177.861 177.861 177.846 0.015 25125 7634 1 12 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.773 -1.573 25125 7635 1 12 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.289 -1.403 25125 7636 1 12 . 1 1 15 15 ILE H H 15 7.206 7.206 8.101 -0.895 25125 7637 1 12 . 1 1 16 16 ARG N N 16 116.694 116.694 119.942 -3.248 25125 7638 1 12 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.454 -0.731 25125 7639 1 12 . 1 1 16 16 ARG C C 16 177.448 177.448 178.519 -1.071 25125 7640 1 12 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.596 2.977 25125 7641 1 12 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.975 0.472 25125 7642 1 12 . 1 1 16 16 ARG H H 16 7.562 7.562 7.288 0.274 25125 7643 1 12 . 1 1 17 17 TRP N N 17 116.848 116.848 123.347 -6.499 25125 7644 1 12 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.334 0.137 25125 7645 1 12 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.987 -1.547 25125 7646 1 12 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.697 -0.405 25125 7647 1 12 . 1 1 17 17 TRP H H 17 8.005 8.005 8.731 -0.726 25125 7648 1 12 . 1 1 18 18 VAL N N 18 116.964 116.964 116.137 0.827 25125 7649 1 12 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.897 0.778 25125 7650 1 12 . 1 1 18 18 VAL C C 18 179.181 179.181 177.811 1.370 25125 7651 1 12 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.455 0.253 25125 7652 1 12 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.591 1.046 25125 7653 1 12 . 1 1 18 18 VAL H H 18 8.110 8.110 7.675 0.435 25125 7654 1 12 . 1 1 19 19 LEU N N 19 120.186 120.186 117.830 2.356 25125 7655 1 12 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.207 -0.132 25125 7656 1 12 . 1 1 19 19 LEU C C 19 177.778 177.778 178.863 -1.085 25125 7657 1 12 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.807 1.015 25125 7658 1 12 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.582 0.199 25125 7659 1 12 . 1 1 19 19 LEU H H 19 8.073 8.073 7.444 0.629 25125 7660 1 12 . 1 1 20 20 GLU N N 20 120.193 120.193 120.600 -0.407 25125 7661 1 12 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.213 -0.272 25125 7662 1 12 . 1 1 20 20 GLU C C 20 178.603 178.603 178.795 -0.192 25125 7663 1 12 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.812 1.798 25125 7664 1 12 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.826 -0.738 25125 7665 1 12 . 1 1 20 20 GLU H H 20 8.387 8.387 7.837 0.550 25125 7666 1 12 . 1 1 21 21 ARG N N 21 116.076 116.076 118.719 -2.643 25125 7667 1 12 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.911 -0.018 25125 7668 1 12 . 1 1 21 21 ARG C C 21 179.676 179.676 178.287 1.389 25125 7669 1 12 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.798 -0.349 25125 7670 1 12 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.155 0.698 25125 7671 1 12 . 1 1 21 21 ARG H H 21 7.602 7.602 8.327 -0.725 25125 7672 1 12 . 1 1 22 22 ALA N N 22 122.405 122.405 122.045 0.360 25125 7673 1 12 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.037 0.060 25125 7674 1 12 . 1 1 22 22 ALA C C 22 180.501 180.501 178.958 1.543 25125 7675 1 12 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.569 0.009 25125 7676 1 12 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.112 1.120 25125 7677 1 12 . 1 1 22 22 ALA H H 22 7.992 7.992 7.463 0.529 25125 7678 1 12 . 1 1 23 23 LEU N N 23 118.026 118.026 117.470 0.556 25125 7679 1 12 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.170 -0.169 25125 7680 1 12 . 1 1 23 23 LEU C C 23 178.878 178.878 178.626 0.252 25125 7681 1 12 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.725 1.996 25125 7682 1 12 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.919 -2.264 25125 7683 1 12 . 1 1 23 23 LEU H H 23 8.825 8.825 8.103 0.722 25125 7684 1 12 . 1 1 24 24 ALA N N 24 122.159 122.159 122.294 -0.135 25125 7685 1 12 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.038 0.595 25125 7686 1 12 . 1 1 24 24 ALA C C 24 183.141 183.141 178.888 4.253 25125 7687 1 12 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.566 0.181 25125 7688 1 12 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.528 -0.826 25125 7689 1 12 . 1 1 24 24 ALA H H 24 8.125 8.125 8.167 -0.042 25125 7690 1 12 . 1 1 25 25 GLY N N 25 106.891 106.891 105.226 1.665 25125 7691 1 12 . 1 1 25 25 GLY C C 25 174.286 174.286 174.176 0.110 25125 7692 1 12 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.894 1.527 25125 7693 1 12 . 1 1 25 25 GLY H H 25 7.870 7.870 7.806 0.064 25125 7694 1 12 . 1 1 26 26 ALA N N 26 121.819 121.819 123.577 -1.758 25125 7695 1 12 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.572 -0.073 25125 7696 1 12 . 1 1 26 26 ALA C C 26 176.953 176.953 177.718 -0.765 25125 7697 1 12 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.334 0.185 25125 7698 1 12 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.027 -1.305 25125 7699 1 12 . 1 1 26 26 ALA H H 26 7.285 7.285 7.302 -0.017 25125 7700 1 12 . 1 1 27 27 GLY N N 27 106.197 106.197 105.761 0.436 25125 7701 1 12 . 1 1 27 27 GLY C C 27 173.956 173.956 173.574 0.382 25125 7702 1 12 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.932 0.384 25125 7703 1 12 . 1 1 27 27 GLY H H 27 7.824 7.824 8.405 -0.581 25125 7704 1 12 . 1 1 28 28 LEU N N 28 120.291 120.291 119.454 0.837 25125 7705 1 12 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.722 -0.147 25125 7706 1 12 . 1 1 28 28 LEU C C 28 175.881 175.881 176.264 -0.383 25125 7707 1 12 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.703 -0.060 25125 7708 1 12 . 1 1 28 28 LEU CB C 28 42.485 42.485 43.484 -0.999 25125 7709 1 12 . 1 1 28 28 LEU H H 28 7.678 7.678 7.194 0.484 25125 7710 1 12 . 1 1 29 29 THR N N 29 118.040 118.040 116.463 1.577 25125 7711 1 12 . 1 1 29 29 THR HA H 29 4.335 4.335 4.344 -0.009 25125 7712 1 12 . 1 1 29 29 THR C C 29 173.186 173.186 173.584 -0.398 25125 7713 1 12 . 1 1 29 29 THR CA C 29 62.479 62.479 63.092 -0.612 25125 7714 1 12 . 1 1 29 29 THR CB C 29 69.465 69.465 69.769 -0.304 25125 7715 1 12 . 1 1 29 29 THR H H 29 8.527 8.527 8.455 0.072 25125 7716 1 12 . 1 1 30 30 CYS N N 30 128.387 128.387 122.952 5.435 25125 7717 1 12 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.507 0.436 25125 7718 1 12 . 1 1 30 30 CYS C C 30 173.846 173.846 174.352 -0.506 25125 7719 1 12 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.952 -1.590 25125 7720 1 12 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.178 -1.698 25125 7721 1 12 . 1 1 30 30 CYS H H 30 8.968 8.968 8.587 0.381 25125 7722 1 12 . 1 1 31 31 THR N N 31 126.481 126.481 123.961 2.520 25125 7723 1 12 . 1 1 31 31 THR HA H 31 4.433 4.433 4.462 -0.029 25125 7724 1 12 . 1 1 31 31 THR C C 31 172.609 172.609 173.303 -0.694 25125 7725 1 12 . 1 1 31 31 THR CA C 31 61.951 61.951 61.683 0.268 25125 7726 1 12 . 1 1 31 31 THR CB C 31 70.567 70.567 69.880 0.687 25125 7727 1 12 . 1 1 31 31 THR H H 31 8.614 8.614 8.608 0.006 25125 7728 1 12 . 1 1 32 32 THR N N 32 116.418 116.418 118.671 -2.253 25125 7729 1 12 . 1 1 32 32 THR HA H 32 5.330 5.330 5.260 0.070 25125 7730 1 12 . 1 1 32 32 THR C C 32 172.306 172.306 173.384 -1.078 25125 7731 1 12 . 1 1 32 32 THR CA C 32 59.173 59.173 60.386 -1.213 25125 7732 1 12 . 1 1 32 32 THR CB C 32 70.917 70.917 70.075 0.842 25125 7733 1 12 . 1 1 32 32 THR H H 32 8.299 8.299 8.338 -0.039 25125 7734 1 12 . 1 1 33 33 PHE N N 33 118.067 118.067 126.882 -8.815 25125 7735 1 12 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.627 0.016 25125 7736 1 12 . 1 1 33 33 PHE C C 33 174.341 174.341 175.662 -1.321 25125 7737 1 12 . 1 1 33 33 PHE CA C 33 56.532 56.532 57.804 -1.272 25125 7738 1 12 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.263 3.046 25125 7739 1 12 . 1 1 33 33 PHE H H 33 8.890 8.890 8.572 0.318 25125 7740 1 12 . 1 1 34 34 GLU N N 34 118.499 118.499 112.667 5.832 25125 7741 1 12 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.547 -0.193 25125 7742 1 12 . 1 1 34 34 GLU C C 34 175.414 175.414 174.834 0.580 25125 7743 1 12 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.548 0.144 25125 7744 1 12 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.748 0.719 25125 7745 1 12 . 1 1 34 34 GLU H H 34 9.023 9.023 8.416 0.607 25125 7746 1 12 . 1 1 35 35 ASN N N 35 109.907 109.907 117.956 -8.049 25125 7747 1 12 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.986 -0.205 25125 7748 1 12 . 1 1 35 35 ASN C C 35 175.139 175.139 176.263 -1.124 25125 7749 1 12 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.309 -0.164 25125 7750 1 12 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.323 -0.000 25125 7751 1 12 . 1 1 35 35 ASN H H 35 7.401 7.401 8.097 -0.696 25125 7752 1 12 . 1 1 36 36 GLY N N 36 106.739 106.739 110.427 -3.688 25125 7753 1 12 . 1 1 36 36 GLY C C 36 174.616 174.616 175.494 -0.878 25125 7754 1 12 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.862 0.154 25125 7755 1 12 . 1 1 36 36 GLY H H 36 8.877 8.877 8.884 -0.007 25125 7756 1 12 . 1 1 37 37 ASN N N 37 120.462 120.462 117.737 2.725 25125 7757 1 12 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.444 -0.082 25125 7758 1 12 . 1 1 37 37 ASN C C 37 178.686 178.686 176.630 2.056 25125 7759 1 12 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.999 0.533 25125 7760 1 12 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.458 -0.874 25125 7761 1 12 . 1 1 37 37 ASN H H 37 8.366 8.366 8.619 -0.253 25125 7762 1 12 . 1 1 38 38 GLU N N 38 119.360 119.360 117.320 2.040 25125 7763 1 12 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.267 -0.197 25125 7764 1 12 . 1 1 38 38 GLU C C 38 179.263 179.263 177.677 1.586 25125 7765 1 12 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.144 1.488 25125 7766 1 12 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.451 1.081 25125 7767 1 12 . 1 1 38 38 GLU H H 38 7.990 7.990 7.672 0.318 25125 7768 1 12 . 1 1 39 39 VAL N N 39 119.259 119.259 119.966 -0.707 25125 7769 1 12 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.339 -0.571 25125 7770 1 12 . 1 1 39 39 VAL C C 39 176.431 176.431 177.584 -1.153 25125 7771 1 12 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.215 0.728 25125 7772 1 12 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.724 -0.649 25125 7773 1 12 . 1 1 39 39 VAL H H 39 6.883 6.883 7.629 -0.746 25125 7774 1 12 . 1 1 40 40 LEU N N 40 119.627 119.627 121.339 -1.712 25125 7775 1 12 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.986 -0.059 25125 7776 1 12 . 1 1 40 40 LEU C C 40 179.538 179.538 178.043 1.495 25125 7777 1 12 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.199 -0.259 25125 7778 1 12 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.422 -0.354 25125 7779 1 12 . 1 1 40 40 LEU H H 40 7.692 7.692 8.452 -0.760 25125 7780 1 12 . 1 1 41 41 ALA N N 41 120.051 120.051 120.147 -0.096 25125 7781 1 12 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.152 -0.012 25125 7782 1 12 . 1 1 41 41 ALA C C 41 180.528 180.528 179.621 0.907 25125 7783 1 12 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.488 0.162 25125 7784 1 12 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.010 -0.144 25125 7785 1 12 . 1 1 41 41 ALA H H 41 7.553 7.553 7.970 -0.417 25125 7786 1 12 . 1 1 42 42 ALA N N 42 122.731 122.731 122.662 0.069 25125 7787 1 12 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.104 0.095 25125 7788 1 12 . 1 1 42 42 ALA C C 42 180.198 180.198 180.166 0.032 25125 7789 1 12 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.599 0.433 25125 7790 1 12 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.834 1.565 25125 7791 1 12 . 1 1 42 42 ALA H H 42 7.604 7.604 7.205 0.399 25125 7792 1 12 . 1 1 43 43 LEU N N 43 119.131 119.131 118.782 0.349 25125 7793 1 12 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.972 1.234 25125 7794 1 12 . 1 1 43 43 LEU C C 43 177.421 177.421 179.169 -1.748 25125 7795 1 12 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.488 -1.943 25125 7796 1 12 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.057 1.547 25125 7797 1 12 . 1 1 43 43 LEU H H 43 8.288 8.288 8.043 0.245 25125 7798 1 12 . 1 1 44 44 ALA N N 44 119.065 119.065 118.868 0.197 25125 7799 1 12 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.133 0.096 25125 7800 1 12 . 1 1 44 44 ALA C C 44 178.686 178.686 178.303 0.383 25125 7801 1 12 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.907 0.331 25125 7802 1 12 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.306 0.210 25125 7803 1 12 . 1 1 44 44 ALA H H 44 7.302 7.302 7.708 -0.406 25125 7804 1 12 . 1 1 45 45 SER N N 45 108.656 108.656 114.567 -5.911 25125 7805 1 12 . 1 1 45 45 SER HA H 45 4.742 4.742 4.377 0.365 25125 7806 1 12 . 1 1 45 45 SER C C 45 173.296 173.296 176.101 -2.805 25125 7807 1 12 . 1 1 45 45 SER CA C 45 58.656 58.656 60.995 -2.339 25125 7808 1 12 . 1 1 45 45 SER CB C 45 65.407 65.407 63.679 1.728 25125 7809 1 12 . 1 1 45 45 SER H H 45 7.728 7.728 8.186 -0.458 25125 7810 1 12 . 1 1 46 46 LYS N N 46 123.016 123.016 115.982 7.034 25125 7811 1 12 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.691 -0.105 25125 7812 1 12 . 1 1 46 46 LYS C C 46 172.719 172.719 175.723 -3.004 25125 7813 1 12 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.153 -0.640 25125 7814 1 12 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.335 1.890 25125 7815 1 12 . 1 1 46 46 LYS H H 46 8.101 8.101 8.205 -0.104 25125 7816 1 12 . 1 1 47 47 THR N N 47 111.780 111.780 113.429 -1.649 25125 7817 1 12 . 1 1 47 47 THR HA H 47 4.282 4.282 3.932 0.350 25125 7818 1 12 . 1 1 47 47 THR CA C 47 57.806 57.806 62.125 -4.319 25125 7819 1 12 . 1 1 47 47 THR CB C 47 70.594 70.594 67.593 3.001 25125 7820 1 12 . 1 1 47 47 THR H H 47 7.677 7.677 7.939 -0.262 25125 7821 1 12 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.067 -0.162 25125 7822 1 12 . 1 1 48 48 PRO C C 48 172.966 172.966 175.657 -2.691 25125 7823 1 12 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.220 -1.355 25125 7824 1 12 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.496 -1.219 25125 7825 1 12 . 1 1 49 49 ASP N N 49 115.035 115.035 118.329 -3.294 25125 7826 1 12 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.787 -0.343 25125 7827 1 12 . 1 1 49 49 ASP C C 49 175.634 175.634 175.775 -0.141 25125 7828 1 12 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.209 1.238 25125 7829 1 12 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.436 0.076 25125 7830 1 12 . 1 1 49 49 ASP H H 49 8.502 8.502 8.027 0.475 25125 7831 1 12 . 1 1 50 50 VAL N N 50 112.082 112.082 114.779 -2.697 25125 7832 1 12 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.443 -0.163 25125 7833 1 12 . 1 1 50 50 VAL C C 50 171.454 171.454 172.928 -1.474 25125 7834 1 12 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.779 -1.217 25125 7835 1 12 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.548 0.088 25125 7836 1 12 . 1 1 50 50 VAL H H 50 7.173 7.173 7.042 0.131 25125 7837 1 12 . 1 1 51 51 LEU N N 51 128.247 128.247 125.174 3.073 25125 7838 1 12 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.358 -0.039 25125 7839 1 12 . 1 1 51 51 LEU C C 51 173.104 173.104 175.720 -2.616 25125 7840 1 12 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.959 0.259 25125 7841 1 12 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.062 0.444 25125 7842 1 12 . 1 1 51 51 LEU H H 51 8.059 8.059 8.258 -0.199 25125 7843 1 12 . 1 1 52 52 LEU N N 52 128.407 128.407 119.482 8.925 25125 7844 1 12 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.875 0.626 25125 7845 1 12 . 1 1 52 52 LEU C C 52 175.414 175.414 176.163 -0.749 25125 7846 1 12 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.064 0.259 25125 7847 1 12 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.677 1.844 25125 7848 1 12 . 1 1 52 52 LEU H H 52 9.242 9.242 8.130 1.112 25125 7849 1 12 . 1 1 53 53 SER N N 53 114.946 114.946 117.014 -2.068 25125 7850 1 12 . 1 1 53 53 SER HA H 53 5.595 5.595 4.231 1.364 25125 7851 1 12 . 1 1 53 53 SER C C 53 174.644 174.644 174.436 0.208 25125 7852 1 12 . 1 1 53 53 SER CA C 53 55.954 55.954 58.474 -2.520 25125 7853 1 12 . 1 1 53 53 SER CB C 53 66.473 66.473 64.248 2.225 25125 7854 1 12 . 1 1 53 53 SER H H 53 8.695 8.695 8.040 0.655 25125 7855 1 12 . 1 1 54 54 ASP N N 54 128.341 128.341 129.046 -0.705 25125 7856 1 12 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.592 0.733 25125 7857 1 12 . 1 1 54 54 ASP C C 54 176.816 176.816 176.354 0.462 25125 7858 1 12 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.386 0.107 25125 7859 1 12 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.082 0.246 25125 7860 1 12 . 1 1 54 54 ASP H H 54 7.886 7.886 7.968 -0.082 25125 7861 1 12 . 1 1 55 55 ILE N N 55 121.229 121.229 117.677 3.552 25125 7862 1 12 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.914 0.271 25125 7863 1 12 . 1 1 55 55 ILE C C 55 175.084 175.084 174.250 0.834 25125 7864 1 12 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.837 -0.296 25125 7865 1 12 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.951 3.078 25125 7866 1 12 . 1 1 55 55 ILE H H 55 8.722 8.722 7.971 0.751 25125 7867 1 12 . 1 1 56 56 ARG N N 56 124.188 124.188 122.822 1.366 25125 7868 1 12 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.554 -0.049 25125 7869 1 12 . 1 1 56 56 ARG C C 56 175.661 175.661 175.266 0.395 25125 7870 1 12 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.782 -0.341 25125 7871 1 12 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.793 -1.431 25125 7872 1 12 . 1 1 56 56 ARG H H 56 8.499 8.499 8.428 0.071 25125 7873 1 12 . 1 1 57 57 MET N N 57 122.581 122.581 120.288 2.293 25125 7874 1 12 . 1 1 57 57 MET HA H 57 4.821 4.821 5.209 -0.388 25125 7875 1 12 . 1 1 57 57 MET CA C 57 53.132 53.132 53.096 0.036 25125 7876 1 12 . 1 1 57 57 MET CB C 57 33.445 33.445 32.395 1.050 25125 7877 1 12 . 1 1 57 57 MET H H 57 7.956 7.956 7.592 0.364 25125 7878 1 12 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.343 0.050 25125 7879 1 12 . 1 1 58 58 PRO C C 58 177.806 177.806 177.113 0.693 25125 7880 1 12 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.704 -1.205 25125 7881 1 12 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.756 0.051 25125 7882 1 12 . 1 1 59 59 GLY N N 59 111.082 111.082 107.152 3.930 25125 7883 1 12 . 1 1 59 59 GLY C C 59 173.626 173.626 175.497 -1.871 25125 7884 1 12 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.792 0.798 25125 7885 1 12 . 1 1 59 59 GLY H H 59 8.653 8.653 8.191 0.462 25125 7886 1 12 . 1 1 60 60 MET N N 60 120.052 120.052 120.039 0.013 25125 7887 1 12 . 1 1 60 60 MET HA H 60 4.525 4.525 4.260 0.265 25125 7888 1 12 . 1 1 60 60 MET C C 60 173.956 173.956 176.578 -2.622 25125 7889 1 12 . 1 1 60 60 MET CA C 60 55.047 55.047 56.539 -1.492 25125 7890 1 12 . 1 1 60 60 MET CB C 60 34.506 34.506 32.751 1.755 25125 7891 1 12 . 1 1 60 60 MET H H 60 7.968 7.968 8.108 -0.140 25125 7892 1 12 . 1 1 61 61 ASP N N 61 121.306 121.306 115.948 5.358 25125 7893 1 12 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.179 0.525 25125 7894 1 12 . 1 1 61 61 ASP C C 61 176.761 176.761 177.130 -0.369 25125 7895 1 12 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.123 -3.394 25125 7896 1 12 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.000 1.069 25125 7897 1 12 . 1 1 61 61 ASP H H 61 8.379 8.379 8.344 0.035 25125 7898 1 12 . 1 1 62 62 GLY N N 62 110.874 110.874 105.676 5.198 25125 7899 1 12 . 1 1 62 62 GLY C C 62 175.194 175.194 175.024 0.170 25125 7900 1 12 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.601 1.500 25125 7901 1 12 . 1 1 62 62 GLY H H 62 8.707 8.707 8.522 0.185 25125 7902 1 12 . 1 1 63 63 LEU N N 63 121.299 121.299 122.413 -1.114 25125 7903 1 12 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.544 -0.367 25125 7904 1 12 . 1 1 63 63 LEU C C 63 178.356 178.356 177.993 0.363 25125 7905 1 12 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.216 1.662 25125 7906 1 12 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.186 1.052 25125 7907 1 12 . 1 1 63 63 LEU H H 63 8.045 8.045 7.982 0.063 25125 7908 1 12 . 1 1 64 64 ALA N N 64 122.741 122.741 122.917 -0.176 25125 7909 1 12 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.036 0.026 25125 7910 1 12 . 1 1 64 64 ALA C C 64 180.556 180.556 178.772 1.784 25125 7911 1 12 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.234 -0.619 25125 7912 1 12 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.029 -0.029 25125 7913 1 12 . 1 1 64 64 ALA H H 64 7.859 7.859 8.025 -0.166 25125 7914 1 12 . 1 1 65 65 LEU N N 65 120.287 120.287 114.802 5.485 25125 7915 1 12 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.362 -0.300 25125 7916 1 12 . 1 1 65 65 LEU C C 65 178.191 178.191 178.436 -0.245 25125 7917 1 12 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.487 1.532 25125 7918 1 12 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.230 -0.992 25125 7919 1 12 . 1 1 65 65 LEU H H 65 8.022 8.022 7.586 0.436 25125 7920 1 12 . 1 1 66 66 LEU N N 66 118.738 118.738 120.145 -1.407 25125 7921 1 12 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.062 -0.204 25125 7922 1 12 . 1 1 66 66 LEU C C 66 178.631 178.631 178.806 -0.175 25125 7923 1 12 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.183 0.163 25125 7924 1 12 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.699 -0.461 25125 7925 1 12 . 1 1 66 66 LEU H H 66 8.101 8.101 7.829 0.272 25125 7926 1 12 . 1 1 67 67 LYS N N 67 117.842 117.842 117.748 0.094 25125 7927 1 12 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.053 -0.071 25125 7928 1 12 . 1 1 67 67 LYS C C 67 179.263 179.263 178.711 0.552 25125 7929 1 12 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.932 0.865 25125 7930 1 12 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.787 0.420 25125 7931 1 12 . 1 1 67 67 LYS H H 67 8.010 8.010 8.107 -0.097 25125 7932 1 12 . 1 1 68 68 GLN N N 68 118.875 118.875 117.396 1.479 25125 7933 1 12 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.292 -0.236 25125 7934 1 12 . 1 1 68 68 GLN C C 68 179.071 179.071 177.663 1.408 25125 7935 1 12 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.102 0.971 25125 7936 1 12 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.909 -0.298 25125 7937 1 12 . 1 1 68 68 GLN H H 68 7.809 7.809 7.548 0.261 25125 7938 1 12 . 1 1 69 69 ILE N N 69 120.377 120.377 121.866 -1.489 25125 7939 1 12 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.000 -0.470 25125 7940 1 12 . 1 1 69 69 ILE C C 69 177.421 177.421 178.414 -0.993 25125 7941 1 12 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.873 1.005 25125 7942 1 12 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.584 0.000 25125 7943 1 12 . 1 1 69 69 ILE H H 69 8.481 8.481 7.561 0.920 25125 7944 1 12 . 1 1 70 70 LYS N N 70 117.873 117.873 119.130 -1.257 25125 7945 1 12 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.148 -0.188 25125 7946 1 12 . 1 1 70 70 LYS C C 70 178.053 178.053 177.868 0.185 25125 7947 1 12 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.036 -1.948 25125 7948 1 12 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.372 -1.160 25125 7949 1 12 . 1 1 70 70 LYS H H 70 8.220 8.220 7.748 0.472 25125 7950 1 12 . 1 1 71 71 GLN N N 71 116.315 116.315 116.909 -0.594 25125 7951 1 12 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.204 -0.212 25125 7952 1 12 . 1 1 71 71 GLN C C 71 177.366 177.366 177.802 -0.436 25125 7953 1 12 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.003 0.187 25125 7954 1 12 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.102 -0.437 25125 7955 1 12 . 1 1 71 71 GLN H H 71 7.601 7.601 7.404 0.197 25125 7956 1 12 . 1 1 72 72 ARG N N 72 116.530 116.530 117.566 -1.036 25125 7957 1 12 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.131 -0.101 25125 7958 1 12 . 1 1 72 72 ARG C C 72 175.826 175.826 176.591 -0.765 25125 7959 1 12 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.530 -0.308 25125 7960 1 12 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.732 0.070 25125 7961 1 12 . 1 1 72 72 ARG H H 72 7.301 7.301 8.146 -0.845 25125 7962 1 12 . 1 1 73 73 HIS N N 73 116.755 116.755 116.550 0.205 25125 7963 1 12 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.031 -0.071 25125 7964 1 12 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.449 -0.231 25125 7965 1 12 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.115 0.447 25125 7966 1 12 . 1 1 73 73 HIS H H 73 8.331 8.331 7.927 0.404 25125 7967 1 12 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.416 0.083 25125 7968 1 12 . 1 1 74 74 PRO C C 74 178.466 178.466 177.316 1.150 25125 7969 1 12 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.811 0.302 25125 7970 1 12 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.114 -0.019 25125 7971 1 12 . 1 1 75 75 MET N N 75 114.814 114.814 116.797 -1.983 25125 7972 1 12 . 1 1 75 75 MET HA H 75 4.567 4.567 4.518 0.049 25125 7973 1 12 . 1 1 75 75 MET C C 75 176.046 176.046 175.824 0.222 25125 7974 1 12 . 1 1 75 75 MET CA C 75 54.266 54.266 55.333 -1.067 25125 7975 1 12 . 1 1 75 75 MET CB C 75 31.288 31.288 32.647 -1.359 25125 7976 1 12 . 1 1 75 75 MET H H 75 8.623 8.623 7.800 0.823 25125 7977 1 12 . 1 1 76 76 LEU N N 76 125.533 125.533 122.915 2.618 25125 7978 1 12 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.857 -0.552 25125 7979 1 12 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.093 2.019 25125 7980 1 12 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.269 0.416 25125 7981 1 12 . 1 1 76 76 LEU H H 76 7.337 7.337 7.260 0.077 25125 7982 1 12 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.496 -0.050 25125 7983 1 12 . 1 1 77 77 PRO C C 77 174.974 174.974 175.702 -0.728 25125 7984 1 12 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.546 0.281 25125 7985 1 12 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.203 -0.481 25125 7986 1 12 . 1 1 78 78 VAL N N 78 123.779 123.779 122.890 0.889 25125 7987 1 12 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.365 0.659 25125 7988 1 12 . 1 1 78 78 VAL C C 78 175.441 175.441 175.145 0.296 25125 7989 1 12 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.740 -0.547 25125 7990 1 12 . 1 1 78 78 VAL CB C 78 34.294 34.294 34.939 -0.645 25125 7991 1 12 . 1 1 78 78 VAL H H 78 8.317 8.317 8.124 0.193 25125 7992 1 12 . 1 1 79 79 ILE N N 79 128.334 128.334 121.801 6.533 25125 7993 1 12 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.664 -0.183 25125 7994 1 12 . 1 1 79 79 ILE C C 79 174.479 174.479 174.944 -0.465 25125 7995 1 12 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.074 -0.552 25125 7996 1 12 . 1 1 79 79 ILE CB C 79 39.963 39.963 40.244 -0.281 25125 7997 1 12 . 1 1 79 79 ILE H H 79 9.292 9.292 7.989 1.303 25125 7998 1 12 . 1 1 80 80 ILE N N 80 127.023 127.023 127.303 -0.280 25125 7999 1 12 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.187 0.672 25125 8000 1 12 . 1 1 80 80 ILE C C 80 175.029 175.029 174.618 0.411 25125 8001 1 12 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.183 -2.026 25125 8002 1 12 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.145 -1.201 25125 8003 1 12 . 1 1 80 80 ILE H H 80 7.938 7.938 8.897 -0.959 25125 8004 1 12 . 1 1 81 81 MET N N 81 127.255 127.255 126.974 0.281 25125 8005 1 12 . 1 1 81 81 MET HA H 81 5.521 5.521 5.476 0.045 25125 8006 1 12 . 1 1 81 81 MET C C 81 174.534 174.534 174.764 -0.230 25125 8007 1 12 . 1 1 81 81 MET CA C 81 53.513 53.513 54.005 -0.492 25125 8008 1 12 . 1 1 81 81 MET CB C 81 35.483 35.483 34.307 1.176 25125 8009 1 12 . 1 1 81 81 MET H H 81 8.801 8.801 8.074 0.727 25125 8010 1 12 . 1 1 82 82 THR N N 82 112.857 112.857 118.471 -5.614 25125 8011 1 12 . 1 1 82 82 THR HA H 82 4.914 4.914 4.552 0.362 25125 8012 1 12 . 1 1 82 82 THR C C 82 172.581 172.581 172.063 0.518 25125 8013 1 12 . 1 1 82 82 THR CA C 82 59.561 59.561 62.601 -3.040 25125 8014 1 12 . 1 1 82 82 THR CB C 82 69.989 69.989 70.426 -0.437 25125 8015 1 12 . 1 1 82 82 THR H H 82 7.623 7.623 7.748 -0.125 25125 8016 1 12 . 1 1 83 83 ALA N N 83 129.541 129.541 130.251 -0.710 25125 8017 1 12 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.460 0.248 25125 8018 1 12 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.017 -0.479 25125 8019 1 12 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.113 1.034 25125 8020 1 12 . 1 1 83 83 ALA H H 83 9.149 9.149 8.589 0.560 25125 8021 1 12 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.554 -0.282 25125 8022 1 12 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.136 3.564 25125 8023 1 12 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.628 -0.611 25125 8024 1 12 . 1 1 85 85 SER N N 85 112.633 112.633 115.895 -3.262 25125 8025 1 12 . 1 1 85 85 SER HA H 85 4.198 4.198 4.381 -0.183 25125 8026 1 12 . 1 1 85 85 SER C C 85 174.506 174.506 172.942 1.564 25125 8027 1 12 . 1 1 85 85 SER CA C 85 59.823 59.823 58.917 0.906 25125 8028 1 12 . 1 1 85 85 SER CB C 85 62.693 62.693 63.197 -0.504 25125 8029 1 12 . 1 1 85 85 SER H H 85 8.224 8.224 7.640 0.584 25125 8030 1 12 . 1 1 86 86 ASP N N 86 120.886 120.886 120.552 0.334 25125 8031 1 12 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.470 0.466 25125 8032 1 12 . 1 1 86 86 ASP C C 86 175.881 175.881 176.388 -0.507 25125 8033 1 12 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.733 -0.800 25125 8034 1 12 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.558 1.445 25125 8035 1 12 . 1 1 86 86 ASP H H 86 7.608 7.608 7.725 -0.117 25125 8036 1 12 . 1 1 87 87 LEU N N 87 121.913 121.913 122.769 -0.856 25125 8037 1 12 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.675 0.244 25125 8038 1 12 . 1 1 87 87 LEU C C 87 177.586 177.586 177.917 -0.331 25125 8039 1 12 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.460 -0.623 25125 8040 1 12 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.544 0.771 25125 8041 1 12 . 1 1 87 87 LEU H H 87 7.498 7.498 8.261 -0.763 25125 8042 1 12 . 1 1 88 88 ASP N N 88 117.621 117.621 116.779 0.842 25125 8043 1 12 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.257 0.015 25125 8044 1 12 . 1 1 88 88 ASP C C 88 178.246 178.246 178.082 0.164 25125 8045 1 12 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.476 -0.666 25125 8046 1 12 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.540 -0.406 25125 8047 1 12 . 1 1 88 88 ASP H H 88 8.322 8.322 8.745 -0.423 25125 8048 1 12 . 1 1 89 89 ALA N N 89 122.874 122.874 121.487 1.387 25125 8049 1 12 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.322 -0.228 25125 8050 1 12 . 1 1 89 89 ALA C C 89 179.346 179.346 179.274 0.072 25125 8051 1 12 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.410 -0.257 25125 8052 1 12 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.710 -0.450 25125 8053 1 12 . 1 1 89 89 ALA H H 89 7.838 7.838 7.667 0.171 25125 8054 1 12 . 1 1 90 90 ALA N N 90 121.673 121.673 122.425 -0.752 25125 8055 1 12 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.089 -0.156 25125 8056 1 12 . 1 1 90 90 ALA C C 90 178.686 178.686 179.901 -1.215 25125 8057 1 12 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.241 -0.578 25125 8058 1 12 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.058 0.324 25125 8059 1 12 . 1 1 90 90 ALA H H 90 7.896 7.896 8.335 -0.439 25125 8060 1 12 . 1 1 91 91 VAL N N 91 117.749 117.749 117.172 0.577 25125 8061 1 12 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.964 -0.352 25125 8062 1 12 . 1 1 91 91 VAL C C 91 178.411 178.411 177.513 0.898 25125 8063 1 12 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.674 -1.493 25125 8064 1 12 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.606 0.031 25125 8065 1 12 . 1 1 91 91 VAL H H 91 8.098 8.098 8.755 -0.657 25125 8066 1 12 . 1 1 92 92 SER N N 92 114.942 114.942 114.127 0.815 25125 8067 1 12 . 1 1 92 92 SER HA H 92 4.231 4.231 4.515 -0.284 25125 8068 1 12 . 1 1 92 92 SER C C 92 175.826 175.826 175.858 -0.032 25125 8069 1 12 . 1 1 92 92 SER CA C 92 60.649 60.649 60.004 0.645 25125 8070 1 12 . 1 1 92 92 SER CB C 92 63.063 63.063 64.111 -1.048 25125 8071 1 12 . 1 1 92 92 SER H H 92 7.825 7.825 7.791 0.034 25125 8072 1 12 . 1 1 93 93 ALA N N 93 122.580 122.580 124.419 -1.839 25125 8073 1 12 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.239 -0.182 25125 8074 1 12 . 1 1 93 93 ALA C C 93 178.906 178.906 179.352 -0.446 25125 8075 1 12 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.693 -0.376 25125 8076 1 12 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.546 -0.249 25125 8077 1 12 . 1 1 93 93 ALA H H 93 7.861 7.861 8.565 -0.704 25125 8078 1 12 . 1 1 94 94 TYR N N 94 118.447 118.447 120.774 -2.327 25125 8079 1 12 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.262 0.230 25125 8080 1 12 . 1 1 94 94 TYR C C 94 177.393 177.393 177.511 -0.118 25125 8081 1 12 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.933 -0.682 25125 8082 1 12 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.329 0.105 25125 8083 1 12 . 1 1 94 94 TYR H H 94 8.150 8.150 7.766 0.384 25125 8084 1 12 . 1 1 95 95 GLN N N 95 119.787 119.787 115.791 3.996 25125 8085 1 12 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.024 0.019 25125 8086 1 12 . 1 1 95 95 GLN C C 95 176.981 176.981 176.526 0.455 25125 8087 1 12 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.862 0.604 25125 8088 1 12 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.797 0.291 25125 8089 1 12 . 1 1 95 95 GLN H H 95 8.271 8.271 7.827 0.444 25125 8090 1 12 . 1 1 96 96 GLN N N 96 117.878 117.878 118.678 -0.800 25125 8091 1 12 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.223 0.122 25125 8092 1 12 . 1 1 96 96 GLN C C 96 175.854 175.854 175.694 0.160 25125 8093 1 12 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.958 0.213 25125 8094 1 12 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.450 0.025 25125 8095 1 12 . 1 1 96 96 GLN H H 96 7.944 7.944 7.731 0.213 25125 8096 1 12 . 1 1 97 97 GLY N N 97 106.670 106.670 105.277 1.393 25125 8097 1 12 . 1 1 97 97 GLY C C 97 174.231 174.231 173.111 1.120 25125 8098 1 12 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.778 0.708 25125 8099 1 12 . 1 1 97 97 GLY H H 97 7.949 7.949 7.310 0.639 25125 8100 1 12 . 1 1 98 98 ALA N N 98 122.898 122.898 120.528 2.370 25125 8101 1 12 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.407 -0.032 25125 8102 1 12 . 1 1 98 98 ALA C C 98 175.991 175.991 175.514 0.477 25125 8103 1 12 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.025 2.143 25125 8104 1 12 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.475 -1.506 25125 8105 1 12 . 1 1 98 98 ALA H H 98 7.808 7.808 7.101 0.707 25125 8106 1 12 . 1 1 99 99 PHE N N 99 123.484 123.484 119.227 4.257 25125 8107 1 12 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.426 -0.076 25125 8108 1 12 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.388 2.068 25125 8109 1 12 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.107 -0.667 25125 8110 1 12 . 1 1 99 99 PHE H H 99 7.704 7.704 8.281 -0.577 25125 8111 1 12 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.877 0.627 25125 8112 1 12 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.847 -1.365 25125 8113 1 12 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.667 3.533 25125 8114 1 12 . 1 1 101 101 TYR N N 101 118.148 118.148 122.198 -4.050 25125 8115 1 12 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.441 1.007 25125 8116 1 12 . 1 1 101 101 TYR C C 101 173.159 173.159 174.648 -1.489 25125 8117 1 12 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.020 -0.033 25125 8118 1 12 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.908 2.990 25125 8119 1 12 . 1 1 101 101 TYR H H 101 9.546 9.546 7.354 2.192 25125 8120 1 12 . 1 1 102 102 LEU N N 102 124.100 124.100 119.567 4.533 25125 8121 1 12 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.081 -0.361 25125 8122 1 12 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.695 -1.196 25125 8123 1 12 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.246 -0.185 25125 8124 1 12 . 1 1 102 102 LEU H H 102 8.901 8.901 8.674 0.227 25125 8125 1 12 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.720 0.173 25125 8126 1 12 . 1 1 103 103 PRO C C 103 175.524 175.524 175.729 -0.205 25125 8127 1 12 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.388 -0.503 25125 8128 1 12 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.394 -0.587 25125 8129 1 12 . 1 1 104 104 LYS N N 104 118.848 118.848 120.449 -1.601 25125 8130 1 12 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.919 -0.406 25125 8131 1 12 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.032 0.186 25125 8132 1 12 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.021 1.723 25125 8133 1 12 . 1 1 104 104 LYS H H 104 8.279 8.279 8.209 0.070 25125 8134 1 12 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.305 -0.006 25125 8135 1 12 . 1 1 105 105 PRO C C 105 175.001 175.001 175.723 -0.722 25125 8136 1 12 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.892 -0.498 25125 8137 1 12 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.011 2.084 25125 8138 1 12 . 1 1 106 106 PHE N N 106 116.607 116.607 116.497 0.110 25125 8139 1 12 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.745 0.425 25125 8140 1 12 . 1 1 106 106 PHE C C 106 175.221 175.221 174.371 0.850 25125 8141 1 12 . 1 1 106 106 PHE CA C 106 53.435 53.435 54.923 -1.488 25125 8142 1 12 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.653 -0.253 25125 8143 1 12 . 1 1 106 106 PHE H H 106 7.457 7.457 7.293 0.164 25125 8144 1 12 . 1 1 107 107 ASP N N 107 122.214 122.214 122.423 -0.209 25125 8145 1 12 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.083 -0.251 25125 8146 1 12 . 1 1 107 107 ASP C C 107 177.778 177.778 177.178 0.600 25125 8147 1 12 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.752 -0.510 25125 8148 1 12 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.271 1.326 25125 8149 1 12 . 1 1 107 107 ASP H H 107 9.022 9.022 8.698 0.324 25125 8150 1 12 . 1 1 108 108 ILE N N 108 127.706 127.706 124.901 2.805 25125 8151 1 12 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.712 0.253 25125 8152 1 12 . 1 1 108 108 ILE C C 108 176.046 176.046 176.928 -0.882 25125 8153 1 12 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.856 -1.867 25125 8154 1 12 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.014 -0.260 25125 8155 1 12 . 1 1 108 108 ILE H H 108 8.860 8.860 8.794 0.066 25125 8156 1 12 . 1 1 109 109 ASP N N 109 120.058 120.058 119.049 1.009 25125 8157 1 12 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.322 0.066 25125 8158 1 12 . 1 1 109 109 ASP C C 109 179.786 179.786 178.800 0.986 25125 8159 1 12 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.787 -0.293 25125 8160 1 12 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.116 -0.062 25125 8161 1 12 . 1 1 109 109 ASP H H 109 8.079 8.079 8.678 -0.599 25125 8162 1 12 . 1 1 110 110 GLU N N 110 121.559 121.559 119.461 2.098 25125 8163 1 12 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.179 -0.111 25125 8164 1 12 . 1 1 110 110 GLU C C 110 179.043 179.043 178.264 0.779 25125 8165 1 12 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.438 0.388 25125 8166 1 12 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.857 -0.514 25125 8167 1 12 . 1 1 110 110 GLU H H 110 8.012 8.012 8.108 -0.096 25125 8168 1 12 . 1 1 111 111 ALA N N 111 122.267 122.267 123.522 -1.255 25125 8169 1 12 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.940 -0.186 25125 8170 1 12 . 1 1 111 111 ALA C C 111 178.493 178.493 179.523 -1.030 25125 8171 1 12 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.249 -0.077 25125 8172 1 12 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.113 0.269 25125 8173 1 12 . 1 1 111 111 ALA H H 111 7.897 7.897 7.814 0.083 25125 8174 1 12 . 1 1 112 112 VAL N N 112 116.527 116.527 117.653 -1.126 25125 8175 1 12 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.593 -0.426 25125 8176 1 12 . 1 1 112 112 VAL C C 112 177.201 177.201 177.984 -0.783 25125 8177 1 12 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.726 0.419 25125 8178 1 12 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.060 0.492 25125 8179 1 12 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125 8180 1 12 . 1 1 113 113 ALA N N 113 119.895 119.895 120.893 -0.998 25125 8181 1 12 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.543 -0.405 25125 8182 1 12 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.382 0.450 25125 8183 1 12 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.547 -0.675 25125 8184 1 12 . 1 1 113 113 ALA H H 113 7.673 7.673 7.405 0.268 25125 8185 1 12 . 1 1 114 114 LEU N N 114 120.650 120.650 120.780 -0.130 25125 8186 1 12 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.116 -0.033 25125 8187 1 12 . 1 1 114 114 LEU C C 114 178.466 178.466 178.437 0.029 25125 8188 1 12 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.712 0.308 25125 8189 1 12 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.056 -0.223 25125 8190 1 12 . 1 1 114 114 LEU H H 114 7.840 7.840 7.687 0.153 25125 8191 1 12 . 1 1 115 115 VAL N N 115 119.480 119.480 118.636 0.844 25125 8192 1 12 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.442 -0.230 25125 8193 1 12 . 1 1 115 115 VAL C C 115 177.448 177.448 177.057 0.391 25125 8194 1 12 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.286 0.915 25125 8195 1 12 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.952 -1.280 25125 8196 1 12 . 1 1 115 115 VAL H H 115 7.824 7.824 8.219 -0.395 25125 8197 1 12 . 1 1 116 116 GLU N N 116 117.473 117.473 118.328 -0.855 25125 8198 1 12 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.849 -0.060 25125 8199 1 12 . 1 1 116 116 GLU C C 116 179.566 179.566 178.791 0.775 25125 8200 1 12 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.670 0.260 25125 8201 1 12 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.124 -0.028 25125 8202 1 12 . 1 1 116 116 GLU H H 116 8.465 8.465 7.712 0.753 25125 8203 1 12 . 1 1 117 117 ARG N N 117 120.128 120.128 118.394 1.734 25125 8204 1 12 . 1 1 117 117 ARG HA H 117 4.064 4.064 3.992 0.072 25125 8205 1 12 . 1 1 117 117 ARG C C 117 178.438 178.438 178.137 0.301 25125 8206 1 12 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.734 0.544 25125 8207 1 12 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.759 0.518 25125 8208 1 12 . 1 1 117 117 ARG H H 117 8.012 8.012 7.661 0.351 25125 8209 1 12 . 1 1 118 118 ALA N N 118 122.270 122.270 121.733 0.537 25125 8210 1 12 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.695 -0.239 25125 8211 1 12 . 1 1 118 118 ALA C C 118 178.741 178.741 179.068 -0.327 25125 8212 1 12 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.343 0.235 25125 8213 1 12 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.136 0.022 25125 8214 1 12 . 1 1 118 118 ALA H H 118 7.958 7.958 7.261 0.697 25125 8215 1 12 . 1 1 119 119 ILE N N 119 115.269 115.269 116.207 -0.938 25125 8216 1 12 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.437 0.291 25125 8217 1 12 . 1 1 119 119 ILE C C 119 177.366 177.366 177.220 0.146 25125 8218 1 12 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.180 -0.511 25125 8219 1 12 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.017 -0.219 25125 8220 1 12 . 1 1 119 119 ILE H H 119 7.753 7.753 7.485 0.268 25125 8221 1 12 . 1 1 120 120 SER N N 120 115.135 115.135 114.245 0.890 25125 8222 1 12 . 1 1 120 120 SER HA H 120 4.275 4.275 4.534 -0.259 25125 8223 1 12 . 1 1 120 120 SER C C 120 175.084 175.084 175.489 -0.405 25125 8224 1 12 . 1 1 120 120 SER CA C 120 59.816 59.816 59.629 0.187 25125 8225 1 12 . 1 1 120 120 SER CB C 120 63.380 63.380 63.815 -0.435 25125 8226 1 12 . 1 1 120 120 SER H H 120 7.816 7.816 7.673 0.143 25125 8227 1 12 . 1 1 121 121 HIS N N 121 119.908 119.908 122.153 -2.245 25125 8228 1 12 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.132 0.290 25125 8229 1 12 . 1 1 121 121 HIS C C 121 175.029 175.029 176.194 -1.165 25125 8230 1 12 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.577 -2.341 25125 8231 1 12 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.746 -0.318 25125 8232 1 12 . 1 1 121 121 HIS H H 121 7.910 7.910 7.627 0.283 25125 8233 1 12 . 1 1 122 122 TYR N N 122 118.880 118.880 116.799 2.081 25125 8234 1 12 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.300 0.126 25125 8235 1 12 . 1 1 122 122 TYR C C 122 175.276 175.276 177.972 -2.696 25125 8236 1 12 . 1 1 122 122 TYR CA C 122 58.449 58.449 60.290 -1.841 25125 8237 1 12 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.290 1.314 25125 8238 1 12 . 1 1 122 122 TYR H H 122 7.766 7.766 7.746 0.020 25125 8239 1 12 . 1 1 123 123 GLN N N 123 121.479 121.479 117.571 3.908 25125 8240 1 12 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.175 0.095 25125 8241 1 12 . 1 1 123 123 GLN C C 123 174.534 174.534 175.959 -1.425 25125 8242 1 12 . 1 1 123 123 GLN CA C 123 55.512 55.512 56.675 -1.163 25125 8243 1 12 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.173 0.595 25125 8244 1 12 . 1 1 123 123 GLN H H 123 7.878 7.878 8.033 -0.155 25125 8245 1 13 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.762 -0.329 25125 8246 1 13 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.377 -1.812 25125 8247 1 13 . 1 1 2 2 GLN CB C 2 29.600 29.600 29.451 0.149 25125 8248 1 13 . 1 1 3 3 ARG N N 3 121.252 121.252 121.109 0.143 25125 8249 1 13 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.455 -0.090 25125 8250 1 13 . 1 1 3 3 ARG C C 3 175.634 175.634 175.328 0.306 25125 8251 1 13 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.186 -0.195 25125 8252 1 13 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.481 0.816 25125 8253 1 13 . 1 1 3 3 ARG H H 3 8.429 8.429 8.764 -0.335 25125 8254 1 13 . 1 1 4 4 GLY N N 4 107.663 107.663 109.581 -1.918 25125 8255 1 13 . 1 1 4 4 GLY C C 4 171.041 171.041 173.791 -2.750 25125 8256 1 13 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.814 0.502 25125 8257 1 13 . 1 1 4 4 GLY H H 4 7.963 7.963 8.030 -0.067 25125 8258 1 13 . 1 1 5 5 ILE N N 5 122.603 122.603 126.407 -3.804 25125 8259 1 13 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.050 0.649 25125 8260 1 13 . 1 1 5 5 ILE C C 5 175.359 175.359 174.847 0.512 25125 8261 1 13 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.911 -1.301 25125 8262 1 13 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.077 0.499 25125 8263 1 13 . 1 1 5 5 ILE H H 5 9.610 9.610 7.956 1.654 25125 8264 1 13 . 1 1 6 6 VAL N N 6 127.905 127.905 126.571 1.334 25125 8265 1 13 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.932 -0.120 25125 8266 1 13 . 1 1 6 6 VAL C C 6 174.204 174.204 175.581 -1.377 25125 8267 1 13 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.828 -1.269 25125 8268 1 13 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.610 0.916 25125 8269 1 13 . 1 1 6 6 VAL H H 6 9.090 9.090 7.900 1.190 25125 8270 1 13 . 1 1 7 7 TRP N N 7 127.467 127.467 128.573 -1.106 25125 8271 1 13 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.276 1.178 25125 8272 1 13 . 1 1 7 7 TRP C C 7 175.056 175.056 175.398 -0.342 25125 8273 1 13 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.317 -1.439 25125 8274 1 13 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.181 0.953 25125 8275 1 13 . 1 1 7 7 TRP H H 7 8.497 8.497 8.560 -0.063 25125 8276 1 13 . 1 1 8 8 VAL N N 8 122.068 122.068 118.101 3.967 25125 8277 1 13 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.482 0.604 25125 8278 1 13 . 1 1 8 8 VAL C C 8 173.874 173.874 173.847 0.027 25125 8279 1 13 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.183 -0.697 25125 8280 1 13 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.210 -0.495 25125 8281 1 13 . 1 1 8 8 VAL H H 8 8.583 8.583 9.340 -0.757 25125 8282 1 13 . 1 1 9 9 VAL N N 9 127.733 127.733 124.597 3.136 25125 8283 1 13 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.641 0.320 25125 8284 1 13 . 1 1 9 9 VAL C C 9 173.131 173.131 173.429 -0.298 25125 8285 1 13 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.124 -0.449 25125 8286 1 13 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.730 -1.819 25125 8287 1 13 . 1 1 9 9 VAL H H 9 9.107 9.107 8.251 0.856 25125 8288 1 13 . 1 1 10 10 ASP N N 10 124.306 124.306 126.555 -2.249 25125 8289 1 13 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.020 -0.451 25125 8290 1 13 . 1 1 10 10 ASP C C 10 175.029 175.029 174.152 0.877 25125 8291 1 13 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.527 1.220 25125 8292 1 13 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.597 0.512 25125 8293 1 13 . 1 1 10 10 ASP H H 10 7.775 7.775 8.108 -0.333 25125 8294 1 13 . 1 1 11 11 ASP N N 11 126.714 126.714 117.646 9.068 25125 8295 1 13 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.933 -0.398 25125 8296 1 13 . 1 1 11 11 ASP C C 11 175.689 175.689 174.690 0.999 25125 8297 1 13 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.594 2.124 25125 8298 1 13 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.951 -0.877 25125 8299 1 13 . 1 1 11 11 ASP H H 11 9.033 9.033 8.615 0.418 25125 8300 1 13 . 1 1 12 12 ASP N N 12 121.877 121.877 118.971 2.906 25125 8301 1 13 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.886 -0.240 25125 8302 1 13 . 1 1 12 12 ASP C C 12 177.036 177.036 176.704 0.332 25125 8303 1 13 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.432 -0.129 25125 8304 1 13 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.452 -2.288 25125 8305 1 13 . 1 1 12 12 ASP H H 12 9.570 9.570 8.117 1.453 25125 8306 1 13 . 1 1 13 13 SER N N 13 123.799 123.799 117.865 5.934 25125 8307 1 13 . 1 1 13 13 SER HA H 13 3.761 3.761 4.302 -0.541 25125 8308 1 13 . 1 1 13 13 SER C C 13 176.156 176.156 175.957 0.199 25125 8309 1 13 . 1 1 13 13 SER CA C 13 61.186 61.186 61.427 -0.241 25125 8310 1 13 . 1 1 13 13 SER CB C 13 62.749 62.749 63.415 -0.666 25125 8311 1 13 . 1 1 13 13 SER H H 13 8.850 8.850 8.803 0.047 25125 8312 1 13 . 1 1 14 14 SER N N 14 119.123 119.123 116.280 2.843 25125 8313 1 13 . 1 1 14 14 SER HA H 14 4.361 4.361 4.369 -0.008 25125 8314 1 13 . 1 1 14 14 SER C C 14 176.404 176.404 176.627 -0.223 25125 8315 1 13 . 1 1 14 14 SER CA C 14 61.730 61.730 61.519 0.211 25125 8316 1 13 . 1 1 14 14 SER CB C 14 62.548 62.548 62.673 -0.126 25125 8317 1 13 . 1 1 14 14 SER H H 14 8.531 8.531 8.715 -0.184 25125 8318 1 13 . 1 1 15 15 ILE N N 15 123.637 123.637 122.051 1.586 25125 8319 1 13 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.888 0.057 25125 8320 1 13 . 1 1 15 15 ILE C C 15 177.861 177.861 177.672 0.189 25125 8321 1 13 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.421 -2.221 25125 8322 1 13 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.509 -0.623 25125 8323 1 13 . 1 1 15 15 ILE H H 15 7.206 7.206 8.267 -1.061 25125 8324 1 13 . 1 1 16 16 ARG N N 16 116.694 116.694 117.568 -0.874 25125 8325 1 13 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.192 -0.469 25125 8326 1 13 . 1 1 16 16 ARG C C 16 177.448 177.448 177.760 -0.312 25125 8327 1 13 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.036 2.537 25125 8328 1 13 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.155 0.291 25125 8329 1 13 . 1 1 16 16 ARG H H 16 7.562 7.562 7.614 -0.052 25125 8330 1 13 . 1 1 17 17 TRP N N 17 116.848 116.848 123.148 -6.300 25125 8331 1 13 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.474 -0.003 25125 8332 1 13 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.644 -0.204 25125 8333 1 13 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.742 -0.450 25125 8334 1 13 . 1 1 17 17 TRP H H 17 8.005 8.005 7.528 0.477 25125 8335 1 13 . 1 1 18 18 VAL N N 18 116.964 116.964 117.283 -0.319 25125 8336 1 13 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.903 0.772 25125 8337 1 13 . 1 1 18 18 VAL C C 18 179.181 179.181 176.977 2.204 25125 8338 1 13 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.804 -0.096 25125 8339 1 13 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.737 0.900 25125 8340 1 13 . 1 1 18 18 VAL H H 18 8.110 8.110 8.627 -0.517 25125 8341 1 13 . 1 1 19 19 LEU N N 19 120.186 120.186 119.039 1.147 25125 8342 1 13 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.242 -0.167 25125 8343 1 13 . 1 1 19 19 LEU C C 19 177.778 177.778 178.777 -0.999 25125 8344 1 13 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.989 0.833 25125 8345 1 13 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.031 -0.249 25125 8346 1 13 . 1 1 19 19 LEU H H 19 8.073 8.073 7.564 0.509 25125 8347 1 13 . 1 1 20 20 GLU N N 20 120.193 120.193 120.753 -0.560 25125 8348 1 13 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.927 0.014 25125 8349 1 13 . 1 1 20 20 GLU C C 20 178.603 178.603 178.882 -0.279 25125 8350 1 13 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.994 0.616 25125 8351 1 13 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.742 -0.654 25125 8352 1 13 . 1 1 20 20 GLU H H 20 8.387 8.387 7.931 0.456 25125 8353 1 13 . 1 1 21 21 ARG N N 21 116.076 116.076 117.233 -1.157 25125 8354 1 13 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.888 0.005 25125 8355 1 13 . 1 1 21 21 ARG C C 21 179.676 179.676 178.246 1.430 25125 8356 1 13 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.814 -0.365 25125 8357 1 13 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.225 0.628 25125 8358 1 13 . 1 1 21 21 ARG H H 21 7.602 7.602 8.246 -0.644 25125 8359 1 13 . 1 1 22 22 ALA N N 22 122.405 122.405 122.617 -0.212 25125 8360 1 13 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.092 0.005 25125 8361 1 13 . 1 1 22 22 ALA C C 22 180.501 180.501 179.574 0.927 25125 8362 1 13 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.348 0.230 25125 8363 1 13 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.319 0.913 25125 8364 1 13 . 1 1 22 22 ALA H H 22 7.992 7.992 7.348 0.644 25125 8365 1 13 . 1 1 23 23 LEU N N 23 118.026 118.026 118.647 -0.621 25125 8366 1 13 . 1 1 23 23 LEU HA H 23 4.001 4.001 3.975 0.026 25125 8367 1 13 . 1 1 23 23 LEU C C 23 178.878 178.878 179.215 -0.337 25125 8368 1 13 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.290 0.431 25125 8369 1 13 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.720 -2.065 25125 8370 1 13 . 1 1 23 23 LEU H H 23 8.825 8.825 7.559 1.266 25125 8371 1 13 . 1 1 24 24 ALA N N 24 122.159 122.159 119.625 2.534 25125 8372 1 13 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.044 0.589 25125 8373 1 13 . 1 1 24 24 ALA C C 24 183.141 183.141 178.531 4.610 25125 8374 1 13 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.254 0.493 25125 8375 1 13 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.630 -0.928 25125 8376 1 13 . 1 1 24 24 ALA H H 24 8.125 8.125 8.155 -0.030 25125 8377 1 13 . 1 1 25 25 GLY N N 25 106.891 106.891 105.440 1.451 25125 8378 1 13 . 1 1 25 25 GLY C C 25 174.286 174.286 174.138 0.148 25125 8379 1 13 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.947 1.474 25125 8380 1 13 . 1 1 25 25 GLY H H 25 7.870 7.870 7.693 0.177 25125 8381 1 13 . 1 1 26 26 ALA N N 26 121.819 121.819 122.924 -1.105 25125 8382 1 13 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.629 -0.130 25125 8383 1 13 . 1 1 26 26 ALA C C 26 176.953 176.953 177.943 -0.990 25125 8384 1 13 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.735 0.784 25125 8385 1 13 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.263 -1.541 25125 8386 1 13 . 1 1 26 26 ALA H H 26 7.285 7.285 7.385 -0.100 25125 8387 1 13 . 1 1 27 27 GLY N N 27 106.197 106.197 108.167 -1.970 25125 8388 1 13 . 1 1 27 27 GLY C C 27 173.956 173.956 173.105 0.851 25125 8389 1 13 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.855 0.461 25125 8390 1 13 . 1 1 27 27 GLY H H 27 7.824 7.824 8.714 -0.890 25125 8391 1 13 . 1 1 28 28 LEU N N 28 120.291 120.291 118.213 2.078 25125 8392 1 13 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.714 -0.139 25125 8393 1 13 . 1 1 28 28 LEU C C 28 175.881 175.881 176.222 -0.341 25125 8394 1 13 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.285 0.359 25125 8395 1 13 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.735 -2.250 25125 8396 1 13 . 1 1 28 28 LEU H H 28 7.678 7.678 7.356 0.322 25125 8397 1 13 . 1 1 29 29 THR N N 29 118.040 118.040 116.849 1.191 25125 8398 1 13 . 1 1 29 29 THR HA H 29 4.335 4.335 4.277 0.058 25125 8399 1 13 . 1 1 29 29 THR C C 29 173.186 173.186 174.549 -1.363 25125 8400 1 13 . 1 1 29 29 THR CA C 29 62.479 62.479 64.236 -1.757 25125 8401 1 13 . 1 1 29 29 THR CB C 29 69.465 69.465 69.581 -0.116 25125 8402 1 13 . 1 1 29 29 THR H H 29 8.527 8.527 8.474 0.053 25125 8403 1 13 . 1 1 30 30 CYS N N 30 128.387 128.387 123.994 4.393 25125 8404 1 13 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.342 0.601 25125 8405 1 13 . 1 1 30 30 CYS C C 30 173.846 173.846 174.091 -0.245 25125 8406 1 13 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.008 0.354 25125 8407 1 13 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.196 0.284 25125 8408 1 13 . 1 1 30 30 CYS H H 30 8.968 8.968 8.457 0.511 25125 8409 1 13 . 1 1 31 31 THR N N 31 126.481 126.481 124.202 2.279 25125 8410 1 13 . 1 1 31 31 THR HA H 31 4.433 4.433 4.390 0.043 25125 8411 1 13 . 1 1 31 31 THR C C 31 172.609 172.609 173.393 -0.784 25125 8412 1 13 . 1 1 31 31 THR CA C 31 61.951 61.951 61.491 0.460 25125 8413 1 13 . 1 1 31 31 THR CB C 31 70.567 70.567 69.498 1.069 25125 8414 1 13 . 1 1 31 31 THR H H 31 8.614 8.614 8.392 0.222 25125 8415 1 13 . 1 1 32 32 THR N N 32 116.418 116.418 118.127 -1.709 25125 8416 1 13 . 1 1 32 32 THR HA H 32 5.330 5.330 5.157 0.173 25125 8417 1 13 . 1 1 32 32 THR C C 32 172.306 172.306 173.131 -0.825 25125 8418 1 13 . 1 1 32 32 THR CA C 32 59.173 59.173 60.429 -1.256 25125 8419 1 13 . 1 1 32 32 THR CB C 32 70.917 70.917 69.915 1.002 25125 8420 1 13 . 1 1 32 32 THR H H 32 8.299 8.299 8.276 0.023 25125 8421 1 13 . 1 1 33 33 PHE N N 33 118.067 118.067 124.039 -5.972 25125 8422 1 13 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.747 -0.104 25125 8423 1 13 . 1 1 33 33 PHE C C 33 174.341 174.341 176.378 -2.037 25125 8424 1 13 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.581 -0.049 25125 8425 1 13 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.150 1.159 25125 8426 1 13 . 1 1 33 33 PHE H H 33 8.890 8.890 8.753 0.137 25125 8427 1 13 . 1 1 34 34 GLU N N 34 118.499 118.499 117.873 0.626 25125 8428 1 13 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.778 -0.424 25125 8429 1 13 . 1 1 34 34 GLU C C 34 175.414 175.414 175.720 -0.306 25125 8430 1 13 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.019 0.673 25125 8431 1 13 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.811 -0.344 25125 8432 1 13 . 1 1 34 34 GLU H H 34 9.023 9.023 9.005 0.018 25125 8433 1 13 . 1 1 35 35 ASN N N 35 109.907 109.907 119.153 -9.246 25125 8434 1 13 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.935 -0.154 25125 8435 1 13 . 1 1 35 35 ASN C C 35 175.139 175.139 176.509 -1.370 25125 8436 1 13 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.156 -0.010 25125 8437 1 13 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.506 1.817 25125 8438 1 13 . 1 1 35 35 ASN H H 35 7.401 7.401 7.912 -0.511 25125 8439 1 13 . 1 1 36 36 GLY N N 36 106.739 106.739 112.912 -6.173 25125 8440 1 13 . 1 1 36 36 GLY C C 36 174.616 174.616 175.971 -1.355 25125 8441 1 13 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.305 -0.289 25125 8442 1 13 . 1 1 36 36 GLY H H 36 8.877 8.877 9.001 -0.124 25125 8443 1 13 . 1 1 37 37 ASN N N 37 120.462 120.462 119.866 0.596 25125 8444 1 13 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.457 -0.095 25125 8445 1 13 . 1 1 37 37 ASN C C 37 178.686 178.686 176.692 1.994 25125 8446 1 13 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.643 0.889 25125 8447 1 13 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.069 -0.485 25125 8448 1 13 . 1 1 37 37 ASN H H 37 8.366 8.366 8.691 -0.325 25125 8449 1 13 . 1 1 38 38 GLU N N 38 119.360 119.360 118.555 0.805 25125 8450 1 13 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.164 -0.094 25125 8451 1 13 . 1 1 38 38 GLU C C 38 179.263 179.263 178.067 1.196 25125 8452 1 13 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.316 0.316 25125 8453 1 13 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.748 0.784 25125 8454 1 13 . 1 1 38 38 GLU H H 38 7.990 7.990 7.868 0.122 25125 8455 1 13 . 1 1 39 39 VAL N N 39 119.259 119.259 118.939 0.320 25125 8456 1 13 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.208 -0.440 25125 8457 1 13 . 1 1 39 39 VAL C C 39 176.431 176.431 177.609 -1.178 25125 8458 1 13 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.058 0.885 25125 8459 1 13 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.382 -0.307 25125 8460 1 13 . 1 1 39 39 VAL H H 39 6.883 6.883 7.808 -0.925 25125 8461 1 13 . 1 1 40 40 LEU N N 40 119.627 119.627 122.135 -2.508 25125 8462 1 13 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.986 -0.059 25125 8463 1 13 . 1 1 40 40 LEU C C 40 179.538 179.538 178.330 1.208 25125 8464 1 13 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.246 -0.306 25125 8465 1 13 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.170 -0.102 25125 8466 1 13 . 1 1 40 40 LEU H H 40 7.692 7.692 7.525 0.167 25125 8467 1 13 . 1 1 41 41 ALA N N 41 120.051 120.051 119.868 0.183 25125 8468 1 13 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.119 0.021 25125 8469 1 13 . 1 1 41 41 ALA C C 41 180.528 180.528 179.502 1.026 25125 8470 1 13 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.470 0.180 25125 8471 1 13 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.923 -0.057 25125 8472 1 13 . 1 1 41 41 ALA H H 41 7.553 7.553 7.579 -0.026 25125 8473 1 13 . 1 1 42 42 ALA N N 42 122.731 122.731 122.181 0.550 25125 8474 1 13 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.114 0.085 25125 8475 1 13 . 1 1 42 42 ALA C C 42 180.198 180.198 180.163 0.035 25125 8476 1 13 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.622 0.410 25125 8477 1 13 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.051 1.348 25125 8478 1 13 . 1 1 42 42 ALA H H 42 7.604 7.604 7.571 0.033 25125 8479 1 13 . 1 1 43 43 LEU N N 43 119.131 119.131 118.478 0.653 25125 8480 1 13 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.993 1.213 25125 8481 1 13 . 1 1 43 43 LEU C C 43 177.421 177.421 179.005 -1.584 25125 8482 1 13 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.456 -1.911 25125 8483 1 13 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.055 1.549 25125 8484 1 13 . 1 1 43 43 LEU H H 43 8.288 8.288 8.075 0.213 25125 8485 1 13 . 1 1 44 44 ALA N N 44 119.065 119.065 118.158 0.907 25125 8486 1 13 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.180 0.049 25125 8487 1 13 . 1 1 44 44 ALA C C 44 178.686 178.686 178.246 0.440 25125 8488 1 13 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.665 0.573 25125 8489 1 13 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.411 0.105 25125 8490 1 13 . 1 1 44 44 ALA H H 44 7.302 7.302 7.686 -0.384 25125 8491 1 13 . 1 1 45 45 SER N N 45 108.656 108.656 114.720 -6.064 25125 8492 1 13 . 1 1 45 45 SER HA H 45 4.742 4.742 4.396 0.346 25125 8493 1 13 . 1 1 45 45 SER C C 45 173.296 173.296 176.093 -2.797 25125 8494 1 13 . 1 1 45 45 SER CA C 45 58.656 58.656 61.177 -2.521 25125 8495 1 13 . 1 1 45 45 SER CB C 45 65.407 65.407 63.812 1.595 25125 8496 1 13 . 1 1 45 45 SER H H 45 7.728 7.728 8.049 -0.321 25125 8497 1 13 . 1 1 46 46 LYS N N 46 123.016 123.016 116.526 6.490 25125 8498 1 13 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.653 -0.067 25125 8499 1 13 . 1 1 46 46 LYS C C 46 172.719 172.719 175.983 -3.264 25125 8500 1 13 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.336 -0.824 25125 8501 1 13 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.903 2.322 25125 8502 1 13 . 1 1 46 46 LYS H H 46 8.101 8.101 7.969 0.132 25125 8503 1 13 . 1 1 47 47 THR N N 47 111.780 111.780 113.451 -1.671 25125 8504 1 13 . 1 1 47 47 THR HA H 47 4.282 4.282 3.880 0.402 25125 8505 1 13 . 1 1 47 47 THR CA C 47 57.806 57.806 62.259 -4.453 25125 8506 1 13 . 1 1 47 47 THR CB C 47 70.594 70.594 67.999 2.595 25125 8507 1 13 . 1 1 47 47 THR H H 47 7.677 7.677 7.785 -0.108 25125 8508 1 13 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.956 -0.051 25125 8509 1 13 . 1 1 48 48 PRO C C 48 172.966 172.966 175.452 -2.486 25125 8510 1 13 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.438 -1.573 25125 8511 1 13 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.538 -1.262 25125 8512 1 13 . 1 1 49 49 ASP N N 49 115.035 115.035 117.787 -2.752 25125 8513 1 13 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.839 -0.395 25125 8514 1 13 . 1 1 49 49 ASP C C 49 175.634 175.634 175.478 0.156 25125 8515 1 13 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.710 1.737 25125 8516 1 13 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.609 -1.097 25125 8517 1 13 . 1 1 49 49 ASP H H 49 8.502 8.502 8.211 0.291 25125 8518 1 13 . 1 1 50 50 VAL N N 50 112.082 112.082 116.581 -4.499 25125 8519 1 13 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.476 -0.196 25125 8520 1 13 . 1 1 50 50 VAL C C 50 171.454 171.454 172.807 -1.353 25125 8521 1 13 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.052 -1.490 25125 8522 1 13 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.686 -0.050 25125 8523 1 13 . 1 1 50 50 VAL H H 50 7.173 7.173 7.115 0.058 25125 8524 1 13 . 1 1 51 51 LEU N N 51 128.247 128.247 127.172 1.075 25125 8525 1 13 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.381 -0.062 25125 8526 1 13 . 1 1 51 51 LEU C C 51 173.104 173.104 174.969 -1.865 25125 8527 1 13 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.049 0.169 25125 8528 1 13 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.668 -0.162 25125 8529 1 13 . 1 1 51 51 LEU H H 51 8.059 8.059 7.968 0.091 25125 8530 1 13 . 1 1 52 52 LEU N N 52 128.407 128.407 122.162 6.245 25125 8531 1 13 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.996 0.505 25125 8532 1 13 . 1 1 52 52 LEU C C 52 175.414 175.414 175.942 -0.528 25125 8533 1 13 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.148 0.176 25125 8534 1 13 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.730 1.791 25125 8535 1 13 . 1 1 52 52 LEU H H 52 9.242 9.242 8.296 0.946 25125 8536 1 13 . 1 1 53 53 SER N N 53 114.946 114.946 117.966 -3.020 25125 8537 1 13 . 1 1 53 53 SER HA H 53 5.595 5.595 4.427 1.168 25125 8538 1 13 . 1 1 53 53 SER C C 53 174.644 174.644 174.272 0.372 25125 8539 1 13 . 1 1 53 53 SER CA C 53 55.954 55.954 58.781 -2.827 25125 8540 1 13 . 1 1 53 53 SER CB C 53 66.473 66.473 64.676 1.797 25125 8541 1 13 . 1 1 53 53 SER H H 53 8.695 8.695 7.940 0.755 25125 8542 1 13 . 1 1 54 54 ASP N N 54 128.341 128.341 125.267 3.074 25125 8543 1 13 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.747 0.578 25125 8544 1 13 . 1 1 54 54 ASP C C 54 176.816 176.816 176.009 0.807 25125 8545 1 13 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.595 0.898 25125 8546 1 13 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.556 -0.228 25125 8547 1 13 . 1 1 54 54 ASP H H 54 7.886 7.886 8.479 -0.593 25125 8548 1 13 . 1 1 55 55 ILE N N 55 121.229 121.229 117.618 3.611 25125 8549 1 13 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.752 0.433 25125 8550 1 13 . 1 1 55 55 ILE C C 55 175.084 175.084 174.254 0.830 25125 8551 1 13 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.245 -0.702 25125 8552 1 13 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.065 2.964 25125 8553 1 13 . 1 1 55 55 ILE H H 55 8.722 8.722 8.115 0.607 25125 8554 1 13 . 1 1 56 56 ARG N N 56 124.188 124.188 121.797 2.391 25125 8555 1 13 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.482 0.023 25125 8556 1 13 . 1 1 56 56 ARG C C 56 175.661 175.661 174.974 0.687 25125 8557 1 13 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.875 -0.434 25125 8558 1 13 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.796 -1.434 25125 8559 1 13 . 1 1 56 56 ARG H H 56 8.499 8.499 8.482 0.017 25125 8560 1 13 . 1 1 57 57 MET N N 57 122.581 122.581 118.033 4.548 25125 8561 1 13 . 1 1 57 57 MET HA H 57 4.821 4.821 5.194 -0.373 25125 8562 1 13 . 1 1 57 57 MET CA C 57 53.132 53.132 52.196 0.936 25125 8563 1 13 . 1 1 57 57 MET CB C 57 33.445 33.445 33.023 0.423 25125 8564 1 13 . 1 1 57 57 MET H H 57 7.956 7.956 7.953 0.003 25125 8565 1 13 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.436 -0.043 25125 8566 1 13 . 1 1 58 58 PRO C C 58 177.806 177.806 177.976 -0.170 25125 8567 1 13 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.354 -0.855 25125 8568 1 13 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.999 -0.192 25125 8569 1 13 . 1 1 59 59 GLY N N 59 111.082 111.082 109.676 1.406 25125 8570 1 13 . 1 1 59 59 GLY C C 59 173.626 173.626 174.378 -0.752 25125 8571 1 13 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.858 -0.268 25125 8572 1 13 . 1 1 59 59 GLY H H 59 8.653 8.653 8.280 0.373 25125 8573 1 13 . 1 1 60 60 MET N N 60 120.052 120.052 118.960 1.092 25125 8574 1 13 . 1 1 60 60 MET HA H 60 4.525 4.525 4.512 0.013 25125 8575 1 13 . 1 1 60 60 MET C C 60 173.956 173.956 176.610 -2.654 25125 8576 1 13 . 1 1 60 60 MET CA C 60 55.047 55.047 54.599 0.448 25125 8577 1 13 . 1 1 60 60 MET CB C 60 34.506 34.506 33.970 0.536 25125 8578 1 13 . 1 1 60 60 MET H H 60 7.968 7.968 8.050 -0.082 25125 8579 1 13 . 1 1 61 61 ASP N N 61 121.306 121.306 121.071 0.235 25125 8580 1 13 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.390 0.314 25125 8581 1 13 . 1 1 61 61 ASP C C 61 176.761 176.761 176.934 -0.173 25125 8582 1 13 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.974 -2.244 25125 8583 1 13 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.169 -0.099 25125 8584 1 13 . 1 1 61 61 ASP H H 61 8.379 8.379 8.671 -0.292 25125 8585 1 13 . 1 1 62 62 GLY N N 62 110.874 110.874 105.313 5.561 25125 8586 1 13 . 1 1 62 62 GLY C C 62 175.194 175.194 175.218 -0.024 25125 8587 1 13 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.184 1.917 25125 8588 1 13 . 1 1 62 62 GLY H H 62 8.707 8.707 7.852 0.855 25125 8589 1 13 . 1 1 63 63 LEU N N 63 121.299 121.299 120.361 0.938 25125 8590 1 13 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.417 -0.240 25125 8591 1 13 . 1 1 63 63 LEU C C 63 178.356 178.356 178.138 0.218 25125 8592 1 13 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.748 1.131 25125 8593 1 13 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.185 1.053 25125 8594 1 13 . 1 1 63 63 LEU H H 63 8.045 8.045 8.089 -0.044 25125 8595 1 13 . 1 1 64 64 ALA N N 64 122.741 122.741 123.507 -0.766 25125 8596 1 13 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.097 -0.035 25125 8597 1 13 . 1 1 64 64 ALA C C 64 180.556 180.556 179.202 1.354 25125 8598 1 13 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.135 -0.520 25125 8599 1 13 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.833 0.167 25125 8600 1 13 . 1 1 64 64 ALA H H 64 7.859 7.859 8.163 -0.304 25125 8601 1 13 . 1 1 65 65 LEU N N 65 120.287 120.287 113.807 6.480 25125 8602 1 13 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.346 -0.284 25125 8603 1 13 . 1 1 65 65 LEU C C 65 178.191 178.191 178.463 -0.272 25125 8604 1 13 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.558 1.461 25125 8605 1 13 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.975 -0.737 25125 8606 1 13 . 1 1 65 65 LEU H H 65 8.022 8.022 7.702 0.320 25125 8607 1 13 . 1 1 66 66 LEU N N 66 118.738 118.738 120.318 -1.580 25125 8608 1 13 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.186 -0.328 25125 8609 1 13 . 1 1 66 66 LEU C C 66 178.631 178.631 178.803 -0.172 25125 8610 1 13 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.298 2.048 25125 8611 1 13 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.828 0.410 25125 8612 1 13 . 1 1 66 66 LEU H H 66 8.101 8.101 7.656 0.445 25125 8613 1 13 . 1 1 67 67 LYS N N 67 117.842 117.842 118.157 -0.315 25125 8614 1 13 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.089 -0.107 25125 8615 1 13 . 1 1 67 67 LYS C C 67 179.263 179.263 178.705 0.558 25125 8616 1 13 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.095 0.702 25125 8617 1 13 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.297 -0.090 25125 8618 1 13 . 1 1 67 67 LYS H H 67 8.010 8.010 8.336 -0.326 25125 8619 1 13 . 1 1 68 68 GLN N N 68 118.875 118.875 117.852 1.023 25125 8620 1 13 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.281 -0.225 25125 8621 1 13 . 1 1 68 68 GLN C C 68 179.071 179.071 177.416 1.655 25125 8622 1 13 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.306 0.767 25125 8623 1 13 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.520 0.091 25125 8624 1 13 . 1 1 68 68 GLN H H 68 7.809 7.809 7.521 0.288 25125 8625 1 13 . 1 1 69 69 ILE N N 69 120.377 120.377 120.990 -0.613 25125 8626 1 13 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.939 -0.409 25125 8627 1 13 . 1 1 69 69 ILE C C 69 177.421 177.421 177.900 -0.479 25125 8628 1 13 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.586 1.292 25125 8629 1 13 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.694 -0.110 25125 8630 1 13 . 1 1 69 69 ILE H H 69 8.481 8.481 7.547 0.934 25125 8631 1 13 . 1 1 70 70 LYS N N 70 117.873 117.873 117.606 0.267 25125 8632 1 13 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.129 -0.169 25125 8633 1 13 . 1 1 70 70 LYS C C 70 178.053 178.053 178.169 -0.116 25125 8634 1 13 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.666 -1.578 25125 8635 1 13 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.991 -0.779 25125 8636 1 13 . 1 1 70 70 LYS H H 70 8.220 8.220 7.774 0.446 25125 8637 1 13 . 1 1 71 71 GLN N N 71 116.315 116.315 117.650 -1.335 25125 8638 1 13 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.184 -0.192 25125 8639 1 13 . 1 1 71 71 GLN C C 71 177.366 177.366 178.100 -0.734 25125 8640 1 13 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.935 0.255 25125 8641 1 13 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.920 -0.255 25125 8642 1 13 . 1 1 71 71 GLN H H 71 7.601 7.601 7.880 -0.279 25125 8643 1 13 . 1 1 72 72 ARG N N 72 116.530 116.530 116.894 -0.364 25125 8644 1 13 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.053 -0.023 25125 8645 1 13 . 1 1 72 72 ARG C C 72 175.826 175.826 176.033 -0.207 25125 8646 1 13 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.367 -0.145 25125 8647 1 13 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.646 0.156 25125 8648 1 13 . 1 1 72 72 ARG H H 72 7.301 7.301 8.174 -0.873 25125 8649 1 13 . 1 1 73 73 HIS N N 73 116.755 116.755 116.001 0.754 25125 8650 1 13 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.847 0.113 25125 8651 1 13 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.263 -0.045 25125 8652 1 13 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.493 0.069 25125 8653 1 13 . 1 1 73 73 HIS H H 73 8.331 8.331 7.810 0.521 25125 8654 1 13 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.370 0.129 25125 8655 1 13 . 1 1 74 74 PRO C C 74 178.466 178.466 177.826 0.640 25125 8656 1 13 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.115 -0.002 25125 8657 1 13 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.442 -0.347 25125 8658 1 13 . 1 1 75 75 MET N N 75 114.814 114.814 114.111 0.703 25125 8659 1 13 . 1 1 75 75 MET HA H 75 4.567 4.567 4.567 0.000 25125 8660 1 13 . 1 1 75 75 MET C C 75 176.046 176.046 175.719 0.327 25125 8661 1 13 . 1 1 75 75 MET CA C 75 54.266 54.266 55.995 -1.729 25125 8662 1 13 . 1 1 75 75 MET CB C 75 31.288 31.288 32.054 -0.766 25125 8663 1 13 . 1 1 75 75 MET H H 75 8.623 8.623 7.702 0.921 25125 8664 1 13 . 1 1 76 76 LEU N N 76 125.533 125.533 123.638 1.895 25125 8665 1 13 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.786 -0.481 25125 8666 1 13 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.540 1.572 25125 8667 1 13 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.574 0.111 25125 8668 1 13 . 1 1 76 76 LEU H H 76 7.337 7.337 7.117 0.220 25125 8669 1 13 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.465 -0.019 25125 8670 1 13 . 1 1 77 77 PRO C C 77 174.974 174.974 175.244 -0.270 25125 8671 1 13 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.453 0.374 25125 8672 1 13 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.837 -0.115 25125 8673 1 13 . 1 1 78 78 VAL N N 78 123.779 123.779 122.384 1.395 25125 8674 1 13 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.739 0.285 25125 8675 1 13 . 1 1 78 78 VAL C C 78 175.441 175.441 175.304 0.137 25125 8676 1 13 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.580 -0.387 25125 8677 1 13 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.728 -1.434 25125 8678 1 13 . 1 1 78 78 VAL H H 78 8.317 8.317 8.178 0.139 25125 8679 1 13 . 1 1 79 79 ILE N N 79 128.334 128.334 121.368 6.966 25125 8680 1 13 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.776 -0.295 25125 8681 1 13 . 1 1 79 79 ILE C C 79 174.479 174.479 174.510 -0.031 25125 8682 1 13 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.862 -0.341 25125 8683 1 13 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.868 -1.905 25125 8684 1 13 . 1 1 79 79 ILE H H 79 9.292 9.292 8.565 0.727 25125 8685 1 13 . 1 1 80 80 ILE N N 80 127.023 127.023 123.169 3.854 25125 8686 1 13 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.405 0.454 25125 8687 1 13 . 1 1 80 80 ILE C C 80 175.029 175.029 175.167 -0.138 25125 8688 1 13 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.304 -1.147 25125 8689 1 13 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.771 -1.827 25125 8690 1 13 . 1 1 80 80 ILE H H 80 7.938 7.938 8.701 -0.763 25125 8691 1 13 . 1 1 81 81 MET N N 81 127.255 127.255 125.840 1.415 25125 8692 1 13 . 1 1 81 81 MET HA H 81 5.521 5.521 5.270 0.251 25125 8693 1 13 . 1 1 81 81 MET C C 81 174.534 174.534 175.233 -0.699 25125 8694 1 13 . 1 1 81 81 MET CA C 81 53.513 53.513 55.300 -1.787 25125 8695 1 13 . 1 1 81 81 MET CB C 81 35.483 35.483 35.240 0.243 25125 8696 1 13 . 1 1 81 81 MET H H 81 8.801 8.801 8.337 0.464 25125 8697 1 13 . 1 1 82 82 THR N N 82 112.857 112.857 118.371 -5.514 25125 8698 1 13 . 1 1 82 82 THR HA H 82 4.914 4.914 4.456 0.458 25125 8699 1 13 . 1 1 82 82 THR C C 82 172.581 172.581 173.099 -0.518 25125 8700 1 13 . 1 1 82 82 THR CA C 82 59.561 59.561 62.589 -3.028 25125 8701 1 13 . 1 1 82 82 THR CB C 82 69.989 69.989 69.284 0.704 25125 8702 1 13 . 1 1 82 82 THR H H 82 7.623 7.623 8.427 -0.804 25125 8703 1 13 . 1 1 83 83 ALA N N 83 129.541 129.541 122.975 6.566 25125 8704 1 13 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.131 0.577 25125 8705 1 13 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.138 -0.600 25125 8706 1 13 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.787 2.360 25125 8707 1 13 . 1 1 83 83 ALA H H 83 9.149 9.149 8.092 1.057 25125 8708 1 13 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.747 -0.475 25125 8709 1 13 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.571 4.129 25125 8710 1 13 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.499 -0.481 25125 8711 1 13 . 1 1 85 85 SER N N 85 112.633 112.633 119.919 -7.286 25125 8712 1 13 . 1 1 85 85 SER HA H 85 4.198 4.198 3.869 0.329 25125 8713 1 13 . 1 1 85 85 SER C C 85 174.506 174.506 175.818 -1.312 25125 8714 1 13 . 1 1 85 85 SER CA C 85 59.823 59.823 61.513 -1.690 25125 8715 1 13 . 1 1 85 85 SER CB C 85 62.693 62.693 62.538 0.155 25125 8716 1 13 . 1 1 85 85 SER H H 85 8.224 8.224 8.928 -0.704 25125 8717 1 13 . 1 1 86 86 ASP N N 86 120.886 120.886 121.111 -0.225 25125 8718 1 13 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.220 0.716 25125 8719 1 13 . 1 1 86 86 ASP C C 86 175.881 175.881 178.046 -2.165 25125 8720 1 13 . 1 1 86 86 ASP CA C 86 53.934 53.934 56.913 -2.979 25125 8721 1 13 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.494 1.509 25125 8722 1 13 . 1 1 86 86 ASP H H 86 7.608 7.608 8.104 -0.496 25125 8723 1 13 . 1 1 87 87 LEU N N 87 121.913 121.913 119.670 2.243 25125 8724 1 13 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.709 0.210 25125 8725 1 13 . 1 1 87 87 LEU C C 87 177.586 177.586 178.288 -0.702 25125 8726 1 13 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.133 -0.296 25125 8727 1 13 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.728 0.586 25125 8728 1 13 . 1 1 87 87 LEU H H 87 7.498 7.498 7.981 -0.483 25125 8729 1 13 . 1 1 88 88 ASP N N 88 117.621 117.621 118.568 -0.947 25125 8730 1 13 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.197 0.075 25125 8731 1 13 . 1 1 88 88 ASP C C 88 178.246 178.246 177.923 0.323 25125 8732 1 13 . 1 1 88 88 ASP CA C 88 56.810 56.810 58.135 -1.325 25125 8733 1 13 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.550 -0.416 25125 8734 1 13 . 1 1 88 88 ASP H H 88 8.322 8.322 7.646 0.676 25125 8735 1 13 . 1 1 89 89 ALA N N 89 122.874 122.874 120.476 2.398 25125 8736 1 13 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.406 -0.312 25125 8737 1 13 . 1 1 89 89 ALA C C 89 179.346 179.346 179.261 0.085 25125 8738 1 13 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.438 -0.285 25125 8739 1 13 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.746 -0.485 25125 8740 1 13 . 1 1 89 89 ALA H H 89 7.838 7.838 7.449 0.389 25125 8741 1 13 . 1 1 90 90 ALA N N 90 121.673 121.673 121.699 -0.026 25125 8742 1 13 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.087 -0.154 25125 8743 1 13 . 1 1 90 90 ALA C C 90 178.686 178.686 179.789 -1.103 25125 8744 1 13 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.734 -0.071 25125 8745 1 13 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.904 0.478 25125 8746 1 13 . 1 1 90 90 ALA H H 90 7.896 7.896 8.196 -0.300 25125 8747 1 13 . 1 1 91 91 VAL N N 91 117.749 117.749 118.706 -0.957 25125 8748 1 13 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.949 -0.337 25125 8749 1 13 . 1 1 91 91 VAL C C 91 178.411 178.411 178.550 -0.139 25125 8750 1 13 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.850 -1.669 25125 8751 1 13 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.904 -0.267 25125 8752 1 13 . 1 1 91 91 VAL H H 91 8.098 8.098 8.438 -0.340 25125 8753 1 13 . 1 1 92 92 SER N N 92 114.942 114.942 113.325 1.617 25125 8754 1 13 . 1 1 92 92 SER HA H 92 4.231 4.231 4.390 -0.159 25125 8755 1 13 . 1 1 92 92 SER C C 92 175.826 175.826 174.876 0.950 25125 8756 1 13 . 1 1 92 92 SER CA C 92 60.649 60.649 59.986 0.663 25125 8757 1 13 . 1 1 92 92 SER CB C 92 63.063 63.063 63.221 -0.158 25125 8758 1 13 . 1 1 92 92 SER H H 92 7.825 7.825 7.981 -0.156 25125 8759 1 13 . 1 1 93 93 ALA N N 93 122.580 122.580 123.007 -0.427 25125 8760 1 13 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.270 -0.213 25125 8761 1 13 . 1 1 93 93 ALA C C 93 178.906 178.906 179.208 -0.302 25125 8762 1 13 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.291 0.026 25125 8763 1 13 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.901 -0.604 25125 8764 1 13 . 1 1 93 93 ALA H H 93 7.861 7.861 8.254 -0.393 25125 8765 1 13 . 1 1 94 94 TYR N N 94 118.447 118.447 121.121 -2.674 25125 8766 1 13 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.210 0.282 25125 8767 1 13 . 1 1 94 94 TYR C C 94 177.393 177.393 176.865 0.528 25125 8768 1 13 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.711 -1.460 25125 8769 1 13 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.571 -0.137 25125 8770 1 13 . 1 1 94 94 TYR H H 94 8.150 8.150 7.883 0.267 25125 8771 1 13 . 1 1 95 95 GLN N N 95 119.787 119.787 115.889 3.898 25125 8772 1 13 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.988 0.055 25125 8773 1 13 . 1 1 95 95 GLN C C 95 176.981 176.981 176.808 0.173 25125 8774 1 13 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.855 0.611 25125 8775 1 13 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.455 0.634 25125 8776 1 13 . 1 1 95 95 GLN H H 95 8.271 8.271 7.824 0.447 25125 8777 1 13 . 1 1 96 96 GLN N N 96 117.878 117.878 119.438 -1.560 25125 8778 1 13 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.258 0.087 25125 8779 1 13 . 1 1 96 96 GLN C C 96 175.854 175.854 176.227 -0.373 25125 8780 1 13 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.943 0.228 25125 8781 1 13 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.625 0.850 25125 8782 1 13 . 1 1 96 96 GLN H H 96 7.944 7.944 7.950 -0.006 25125 8783 1 13 . 1 1 97 97 GLY N N 97 106.670 106.670 105.863 0.807 25125 8784 1 13 . 1 1 97 97 GLY C C 97 174.231 174.231 172.875 1.356 25125 8785 1 13 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.820 0.666 25125 8786 1 13 . 1 1 97 97 GLY H H 97 7.949 7.949 7.449 0.500 25125 8787 1 13 . 1 1 98 98 ALA N N 98 122.898 122.898 120.262 2.636 25125 8788 1 13 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.542 -0.167 25125 8789 1 13 . 1 1 98 98 ALA C C 98 175.991 175.991 175.456 0.535 25125 8790 1 13 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.874 2.294 25125 8791 1 13 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.714 -1.745 25125 8792 1 13 . 1 1 98 98 ALA H H 98 7.808 7.808 7.140 0.668 25125 8793 1 13 . 1 1 99 99 PHE N N 99 123.484 123.484 119.150 4.334 25125 8794 1 13 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.357 -0.007 25125 8795 1 13 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.465 1.991 25125 8796 1 13 . 1 1 99 99 PHE CB C 99 40.440 40.440 40.962 -0.522 25125 8797 1 13 . 1 1 99 99 PHE H H 99 7.704 7.704 8.219 -0.515 25125 8798 1 13 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.906 0.598 25125 8799 1 13 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.024 -1.542 25125 8800 1 13 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.002 4.198 25125 8801 1 13 . 1 1 101 101 TYR N N 101 118.148 118.148 121.524 -3.376 25125 8802 1 13 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.476 0.972 25125 8803 1 13 . 1 1 101 101 TYR C C 101 173.159 173.159 174.459 -1.300 25125 8804 1 13 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.004 -1.017 25125 8805 1 13 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.933 2.965 25125 8806 1 13 . 1 1 101 101 TYR H H 101 9.546 9.546 7.446 2.100 25125 8807 1 13 . 1 1 102 102 LEU N N 102 124.100 124.100 120.436 3.664 25125 8808 1 13 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.065 -0.345 25125 8809 1 13 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.654 -1.155 25125 8810 1 13 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.822 0.239 25125 8811 1 13 . 1 1 102 102 LEU H H 102 8.901 8.901 8.801 0.100 25125 8812 1 13 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.535 0.358 25125 8813 1 13 . 1 1 103 103 PRO C C 103 175.524 175.524 175.625 -0.101 25125 8814 1 13 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.830 -0.945 25125 8815 1 13 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.494 -0.687 25125 8816 1 13 . 1 1 104 104 LYS N N 104 118.848 118.848 121.161 -2.313 25125 8817 1 13 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.912 -0.399 25125 8818 1 13 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.203 0.015 25125 8819 1 13 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.443 2.301 25125 8820 1 13 . 1 1 104 104 LYS H H 104 8.279 8.279 8.081 0.198 25125 8821 1 13 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.423 -0.124 25125 8822 1 13 . 1 1 105 105 PRO C C 105 175.001 175.001 175.107 -0.106 25125 8823 1 13 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.673 -0.279 25125 8824 1 13 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.013 2.082 25125 8825 1 13 . 1 1 106 106 PHE N N 106 116.607 116.607 115.079 1.528 25125 8826 1 13 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.797 0.373 25125 8827 1 13 . 1 1 106 106 PHE C C 106 175.221 175.221 174.353 0.868 25125 8828 1 13 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.768 -2.333 25125 8829 1 13 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.092 0.308 25125 8830 1 13 . 1 1 106 106 PHE H H 106 7.457 7.457 7.423 0.034 25125 8831 1 13 . 1 1 107 107 ASP N N 107 122.214 122.214 122.530 -0.316 25125 8832 1 13 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.061 -0.230 25125 8833 1 13 . 1 1 107 107 ASP C C 107 177.778 177.778 176.894 0.884 25125 8834 1 13 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.606 -0.364 25125 8835 1 13 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.084 1.513 25125 8836 1 13 . 1 1 107 107 ASP H H 107 9.022 9.022 8.701 0.321 25125 8837 1 13 . 1 1 108 108 ILE N N 108 127.706 127.706 124.840 2.866 25125 8838 1 13 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.768 0.197 25125 8839 1 13 . 1 1 108 108 ILE C C 108 176.046 176.046 176.996 -0.950 25125 8840 1 13 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.147 -2.158 25125 8841 1 13 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.060 -0.306 25125 8842 1 13 . 1 1 108 108 ILE H H 108 8.860 8.860 8.810 0.050 25125 8843 1 13 . 1 1 109 109 ASP N N 109 120.058 120.058 118.381 1.677 25125 8844 1 13 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.341 0.047 25125 8845 1 13 . 1 1 109 109 ASP C C 109 179.786 179.786 179.024 0.762 25125 8846 1 13 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.765 -0.271 25125 8847 1 13 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.903 0.152 25125 8848 1 13 . 1 1 109 109 ASP H H 109 8.079 8.079 8.728 -0.649 25125 8849 1 13 . 1 1 110 110 GLU N N 110 121.559 121.559 119.893 1.666 25125 8850 1 13 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.208 -0.140 25125 8851 1 13 . 1 1 110 110 GLU C C 110 179.043 179.043 178.361 0.682 25125 8852 1 13 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.336 0.490 25125 8853 1 13 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.816 -0.473 25125 8854 1 13 . 1 1 110 110 GLU H H 110 8.012 8.012 8.037 -0.025 25125 8855 1 13 . 1 1 111 111 ALA N N 111 122.267 122.267 123.343 -1.076 25125 8856 1 13 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.965 -0.211 25125 8857 1 13 . 1 1 111 111 ALA C C 111 178.493 178.493 179.476 -0.983 25125 8858 1 13 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.085 0.087 25125 8859 1 13 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.264 0.118 25125 8860 1 13 . 1 1 111 111 ALA H H 111 7.897 7.897 7.950 -0.053 25125 8861 1 13 . 1 1 112 112 VAL N N 112 116.527 116.527 118.020 -1.493 25125 8862 1 13 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.492 -0.325 25125 8863 1 13 . 1 1 112 112 VAL C C 112 177.201 177.201 177.738 -0.537 25125 8864 1 13 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.661 0.484 25125 8865 1 13 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.682 -0.130 25125 8866 1 13 . 1 1 112 112 VAL H H 112 8.018 8.018 8.450 -0.432 25125 8867 1 13 . 1 1 113 113 ALA N N 113 119.895 119.895 120.969 -1.074 25125 8868 1 13 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.237 -0.099 25125 8869 1 13 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.371 0.461 25125 8870 1 13 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.530 -0.658 25125 8871 1 13 . 1 1 113 113 ALA H H 113 7.673 7.673 7.430 0.243 25125 8872 1 13 . 1 1 114 114 LEU N N 114 120.650 120.650 120.405 0.245 25125 8873 1 13 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.163 -0.080 25125 8874 1 13 . 1 1 114 114 LEU C C 114 178.466 178.466 178.351 0.115 25125 8875 1 13 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.518 0.502 25125 8876 1 13 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.135 -0.302 25125 8877 1 13 . 1 1 114 114 LEU H H 114 7.840 7.840 7.618 0.222 25125 8878 1 13 . 1 1 115 115 VAL N N 115 119.480 119.480 118.197 1.283 25125 8879 1 13 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.503 -0.291 25125 8880 1 13 . 1 1 115 115 VAL C C 115 177.448 177.448 176.910 0.538 25125 8881 1 13 . 1 1 115 115 VAL CA C 115 67.201 67.201 64.534 2.667 25125 8882 1 13 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.763 -1.091 25125 8883 1 13 . 1 1 115 115 VAL H H 115 7.824 7.824 7.735 0.089 25125 8884 1 13 . 1 1 116 116 GLU N N 116 117.473 117.473 120.373 -2.900 25125 8885 1 13 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.828 -0.039 25125 8886 1 13 . 1 1 116 116 GLU C C 116 179.566 179.566 178.904 0.662 25125 8887 1 13 . 1 1 116 116 GLU CA C 116 59.930 59.930 60.397 -0.467 25125 8888 1 13 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.371 -0.275 25125 8889 1 13 . 1 1 116 116 GLU H H 116 8.465 8.465 7.493 0.972 25125 8890 1 13 . 1 1 117 117 ARG N N 117 120.128 120.128 117.072 3.056 25125 8891 1 13 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.033 0.031 25125 8892 1 13 . 1 1 117 117 ARG C C 117 178.438 178.438 178.296 0.142 25125 8893 1 13 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.705 0.573 25125 8894 1 13 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.602 0.675 25125 8895 1 13 . 1 1 117 117 ARG H H 117 8.012 8.012 7.703 0.309 25125 8896 1 13 . 1 1 118 118 ALA N N 118 122.270 122.270 121.414 0.856 25125 8897 1 13 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.845 -0.389 25125 8898 1 13 . 1 1 118 118 ALA C C 118 178.741 178.741 178.638 0.103 25125 8899 1 13 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.059 0.519 25125 8900 1 13 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.441 -0.283 25125 8901 1 13 . 1 1 118 118 ALA H H 118 7.958 7.958 7.353 0.605 25125 8902 1 13 . 1 1 119 119 ILE N N 119 115.269 115.269 116.464 -1.195 25125 8903 1 13 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.771 -0.043 25125 8904 1 13 . 1 1 119 119 ILE C C 119 177.366 177.366 177.793 -0.427 25125 8905 1 13 . 1 1 119 119 ILE CA C 119 63.669 63.669 63.899 -0.230 25125 8906 1 13 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.359 -0.561 25125 8907 1 13 . 1 1 119 119 ILE H H 119 7.753 7.753 7.643 0.110 25125 8908 1 13 . 1 1 120 120 SER N N 120 115.135 115.135 114.454 0.681 25125 8909 1 13 . 1 1 120 120 SER HA H 120 4.275 4.275 4.249 0.026 25125 8910 1 13 . 1 1 120 120 SER C C 120 175.084 175.084 174.637 0.447 25125 8911 1 13 . 1 1 120 120 SER CA C 120 59.816 59.816 60.162 -0.346 25125 8912 1 13 . 1 1 120 120 SER CB C 120 63.380 63.380 63.080 0.300 25125 8913 1 13 . 1 1 120 120 SER H H 120 7.816 7.816 8.337 -0.521 25125 8914 1 13 . 1 1 121 121 HIS N N 121 119.908 119.908 119.910 -0.002 25125 8915 1 13 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.159 0.263 25125 8916 1 13 . 1 1 121 121 HIS C C 121 175.029 175.029 177.404 -2.375 25125 8917 1 13 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.225 -1.990 25125 8918 1 13 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.877 -0.449 25125 8919 1 13 . 1 1 121 121 HIS H H 121 7.910 7.910 7.344 0.566 25125 8920 1 13 . 1 1 122 122 TYR N N 122 118.880 118.880 118.903 -0.023 25125 8921 1 13 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.366 0.060 25125 8922 1 13 . 1 1 122 122 TYR C C 122 175.276 175.276 177.108 -1.832 25125 8923 1 13 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.692 -1.243 25125 8924 1 13 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.800 0.804 25125 8925 1 13 . 1 1 122 122 TYR H H 122 7.766 7.766 7.077 0.689 25125 8926 1 13 . 1 1 123 123 GLN N N 123 121.479 121.479 118.166 3.313 25125 8927 1 13 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.354 -0.084 25125 8928 1 13 . 1 1 123 123 GLN C C 123 174.534 174.534 176.108 -1.574 25125 8929 1 13 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.906 0.606 25125 8930 1 13 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.759 2.009 25125 8931 1 13 . 1 1 123 123 GLN H H 123 7.878 7.878 7.767 0.111 25125 8932 1 14 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.029 0.404 25125 8933 1 14 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.840 -1.276 25125 8934 1 14 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.767 2.833 25125 8935 1 14 . 1 1 3 3 ARG N N 3 121.252 121.252 116.905 4.347 25125 8936 1 14 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.193 0.172 25125 8937 1 14 . 1 1 3 3 ARG C C 3 175.634 175.634 175.626 0.008 25125 8938 1 14 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.905 -0.914 25125 8939 1 14 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.257 1.040 25125 8940 1 14 . 1 1 3 3 ARG H H 3 8.429 8.429 8.011 0.418 25125 8941 1 14 . 1 1 4 4 GLY N N 4 107.663 107.663 108.492 -0.829 25125 8942 1 14 . 1 1 4 4 GLY C C 4 171.041 171.041 173.164 -2.123 25125 8943 1 14 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.418 0.898 25125 8944 1 14 . 1 1 4 4 GLY H H 4 7.963 7.963 7.674 0.289 25125 8945 1 14 . 1 1 5 5 ILE N N 5 122.603 122.603 125.533 -2.930 25125 8946 1 14 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.024 0.675 25125 8947 1 14 . 1 1 5 5 ILE C C 5 175.359 175.359 175.087 0.272 25125 8948 1 14 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.699 -1.089 25125 8949 1 14 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.480 0.096 25125 8950 1 14 . 1 1 5 5 ILE H H 5 9.610 9.610 8.309 1.301 25125 8951 1 14 . 1 1 6 6 VAL N N 6 127.905 127.905 125.117 2.788 25125 8952 1 14 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.944 -0.132 25125 8953 1 14 . 1 1 6 6 VAL C C 6 174.204 174.204 175.391 -1.187 25125 8954 1 14 . 1 1 6 6 VAL CA C 6 59.559 59.559 61.230 -1.671 25125 8955 1 14 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.321 0.205 25125 8956 1 14 . 1 1 6 6 VAL H H 6 9.090 9.090 7.955 1.135 25125 8957 1 14 . 1 1 7 7 TRP N N 7 127.467 127.467 127.330 0.137 25125 8958 1 14 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.322 1.132 25125 8959 1 14 . 1 1 7 7 TRP C C 7 175.056 175.056 175.571 -0.515 25125 8960 1 14 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.381 -1.503 25125 8961 1 14 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.622 0.512 25125 8962 1 14 . 1 1 7 7 TRP H H 7 8.497 8.497 8.398 0.099 25125 8963 1 14 . 1 1 8 8 VAL N N 8 122.068 122.068 118.476 3.592 25125 8964 1 14 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.506 0.580 25125 8965 1 14 . 1 1 8 8 VAL C C 8 173.874 173.874 174.218 -0.344 25125 8966 1 14 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.520 -1.034 25125 8967 1 14 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.767 -0.052 25125 8968 1 14 . 1 1 8 8 VAL H H 8 8.583 8.583 9.374 -0.791 25125 8969 1 14 . 1 1 9 9 VAL N N 9 127.733 127.733 125.665 2.068 25125 8970 1 14 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.628 0.333 25125 8971 1 14 . 1 1 9 9 VAL C C 9 173.131 173.131 173.617 -0.486 25125 8972 1 14 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.947 -1.272 25125 8973 1 14 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.724 0.187 25125 8974 1 14 . 1 1 9 9 VAL H H 9 9.107 9.107 8.746 0.361 25125 8975 1 14 . 1 1 10 10 ASP N N 10 124.306 124.306 124.159 0.147 25125 8976 1 14 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.903 -0.334 25125 8977 1 14 . 1 1 10 10 ASP C C 10 175.029 175.029 174.745 0.284 25125 8978 1 14 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.393 2.354 25125 8979 1 14 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.541 0.568 25125 8980 1 14 . 1 1 10 10 ASP H H 10 7.775 7.775 7.774 0.001 25125 8981 1 14 . 1 1 11 11 ASP N N 11 126.714 126.714 118.076 8.638 25125 8982 1 14 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.926 -0.391 25125 8983 1 14 . 1 1 11 11 ASP C C 11 175.689 175.689 174.726 0.963 25125 8984 1 14 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.125 2.593 25125 8985 1 14 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.382 0.692 25125 8986 1 14 . 1 1 11 11 ASP H H 11 9.033 9.033 8.677 0.356 25125 8987 1 14 . 1 1 12 12 ASP N N 12 121.877 121.877 118.804 3.073 25125 8988 1 14 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.903 -0.257 25125 8989 1 14 . 1 1 12 12 ASP C C 12 177.036 177.036 176.184 0.852 25125 8990 1 14 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.370 -0.067 25125 8991 1 14 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.289 -3.125 25125 8992 1 14 . 1 1 12 12 ASP H H 12 9.570 9.570 7.737 1.833 25125 8993 1 14 . 1 1 13 13 SER N N 13 123.799 123.799 117.979 5.820 25125 8994 1 14 . 1 1 13 13 SER HA H 13 3.761 3.761 4.261 -0.500 25125 8995 1 14 . 1 1 13 13 SER C C 13 176.156 176.156 176.039 0.117 25125 8996 1 14 . 1 1 13 13 SER CA C 13 61.186 61.186 61.761 -0.575 25125 8997 1 14 . 1 1 13 13 SER CB C 13 62.749 62.749 63.567 -0.818 25125 8998 1 14 . 1 1 13 13 SER H H 13 8.850 8.850 8.827 0.023 25125 8999 1 14 . 1 1 14 14 SER N N 14 119.123 119.123 116.387 2.736 25125 9000 1 14 . 1 1 14 14 SER HA H 14 4.361 4.361 4.391 -0.030 25125 9001 1 14 . 1 1 14 14 SER C C 14 176.404 176.404 176.618 -0.214 25125 9002 1 14 . 1 1 14 14 SER CA C 14 61.730 61.730 61.117 0.612 25125 9003 1 14 . 1 1 14 14 SER CB C 14 62.548 62.548 62.857 -0.309 25125 9004 1 14 . 1 1 14 14 SER H H 14 8.531 8.531 8.820 -0.289 25125 9005 1 14 . 1 1 15 15 ILE N N 15 123.637 123.637 121.472 2.165 25125 9006 1 14 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.038 -0.093 25125 9007 1 14 . 1 1 15 15 ILE C C 15 177.861 177.861 177.397 0.464 25125 9008 1 14 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.670 -1.470 25125 9009 1 14 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.284 -1.398 25125 9010 1 14 . 1 1 15 15 ILE H H 15 7.206 7.206 8.009 -0.803 25125 9011 1 14 . 1 1 16 16 ARG N N 16 116.694 116.694 120.129 -3.435 25125 9012 1 14 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.395 -0.672 25125 9013 1 14 . 1 1 16 16 ARG C C 16 177.448 177.448 178.460 -1.012 25125 9014 1 14 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.791 2.782 25125 9015 1 14 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.833 0.614 25125 9016 1 14 . 1 1 16 16 ARG H H 16 7.562 7.562 7.459 0.103 25125 9017 1 14 . 1 1 17 17 TRP N N 17 116.848 116.848 123.290 -6.442 25125 9018 1 14 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.352 0.119 25125 9019 1 14 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.309 -0.869 25125 9020 1 14 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.448 -0.156 25125 9021 1 14 . 1 1 17 17 TRP H H 17 8.005 8.005 8.649 -0.644 25125 9022 1 14 . 1 1 18 18 VAL N N 18 116.964 116.964 116.121 0.843 25125 9023 1 14 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.770 0.905 25125 9024 1 14 . 1 1 18 18 VAL C C 18 179.181 179.181 177.746 1.435 25125 9025 1 14 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.954 -0.246 25125 9026 1 14 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.036 0.601 25125 9027 1 14 . 1 1 18 18 VAL H H 18 8.110 8.110 7.573 0.537 25125 9028 1 14 . 1 1 19 19 LEU N N 19 120.186 120.186 117.243 2.943 25125 9029 1 14 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.109 -0.034 25125 9030 1 14 . 1 1 19 19 LEU C C 19 177.778 177.778 178.965 -1.187 25125 9031 1 14 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.933 0.889 25125 9032 1 14 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.495 0.286 25125 9033 1 14 . 1 1 19 19 LEU H H 19 8.073 8.073 7.612 0.461 25125 9034 1 14 . 1 1 20 20 GLU N N 20 120.193 120.193 120.133 0.060 25125 9035 1 14 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.035 -0.094 25125 9036 1 14 . 1 1 20 20 GLU C C 20 178.603 178.603 178.522 0.081 25125 9037 1 14 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.279 1.331 25125 9038 1 14 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.892 -0.804 25125 9039 1 14 . 1 1 20 20 GLU H H 20 8.387 8.387 7.963 0.424 25125 9040 1 14 . 1 1 21 21 ARG N N 21 116.076 116.076 118.469 -2.393 25125 9041 1 14 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.917 -0.025 25125 9042 1 14 . 1 1 21 21 ARG C C 21 179.676 179.676 178.427 1.249 25125 9043 1 14 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.974 -0.525 25125 9044 1 14 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.118 0.735 25125 9045 1 14 . 1 1 21 21 ARG H H 21 7.602 7.602 8.342 -0.740 25125 9046 1 14 . 1 1 22 22 ALA N N 22 122.405 122.405 121.971 0.434 25125 9047 1 14 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.078 0.019 25125 9048 1 14 . 1 1 22 22 ALA C C 22 180.501 180.501 179.005 1.496 25125 9049 1 14 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.396 0.182 25125 9050 1 14 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.315 0.917 25125 9051 1 14 . 1 1 22 22 ALA H H 22 7.992 7.992 7.569 0.423 25125 9052 1 14 . 1 1 23 23 LEU N N 23 118.026 118.026 118.113 -0.087 25125 9053 1 14 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.224 -0.223 25125 9054 1 14 . 1 1 23 23 LEU C C 23 178.878 178.878 178.954 -0.076 25125 9055 1 14 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.689 1.032 25125 9056 1 14 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.215 -2.560 25125 9057 1 14 . 1 1 23 23 LEU H H 23 8.825 8.825 7.765 1.060 25125 9058 1 14 . 1 1 24 24 ALA N N 24 122.159 122.159 122.080 0.079 25125 9059 1 14 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.971 0.662 25125 9060 1 14 . 1 1 24 24 ALA C C 24 183.141 183.141 179.675 3.466 25125 9061 1 14 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.916 -0.169 25125 9062 1 14 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.403 -0.701 25125 9063 1 14 . 1 1 24 24 ALA H H 24 8.125 8.125 8.121 0.004 25125 9064 1 14 . 1 1 25 25 GLY N N 25 106.891 106.891 103.809 3.082 25125 9065 1 14 . 1 1 25 25 GLY C C 25 174.286 174.286 174.553 -0.267 25125 9066 1 14 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.164 1.257 25125 9067 1 14 . 1 1 25 25 GLY H H 25 7.870 7.870 7.912 -0.042 25125 9068 1 14 . 1 1 26 26 ALA N N 26 121.819 121.819 123.136 -1.317 25125 9069 1 14 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.609 -0.110 25125 9070 1 14 . 1 1 26 26 ALA C C 26 176.953 176.953 177.496 -0.543 25125 9071 1 14 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.790 -0.271 25125 9072 1 14 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.970 -1.248 25125 9073 1 14 . 1 1 26 26 ALA H H 26 7.285 7.285 7.555 -0.270 25125 9074 1 14 . 1 1 27 27 GLY N N 27 106.197 106.197 106.253 -0.056 25125 9075 1 14 . 1 1 27 27 GLY C C 27 173.956 173.956 172.885 1.071 25125 9076 1 14 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.218 0.098 25125 9077 1 14 . 1 1 27 27 GLY H H 27 7.824 7.824 8.130 -0.306 25125 9078 1 14 . 1 1 28 28 LEU N N 28 120.291 120.291 117.433 2.858 25125 9079 1 14 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.775 -0.200 25125 9080 1 14 . 1 1 28 28 LEU C C 28 175.881 175.881 176.587 -0.706 25125 9081 1 14 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.692 0.951 25125 9082 1 14 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.441 -1.956 25125 9083 1 14 . 1 1 28 28 LEU H H 28 7.678 7.678 7.551 0.127 25125 9084 1 14 . 1 1 29 29 THR N N 29 118.040 118.040 116.994 1.046 25125 9085 1 14 . 1 1 29 29 THR HA H 29 4.335 4.335 4.185 0.150 25125 9086 1 14 . 1 1 29 29 THR C C 29 173.186 173.186 173.875 -0.689 25125 9087 1 14 . 1 1 29 29 THR CA C 29 62.479 62.479 63.877 -1.399 25125 9088 1 14 . 1 1 29 29 THR CB C 29 69.465 69.465 69.411 0.054 25125 9089 1 14 . 1 1 29 29 THR H H 29 8.527 8.527 8.499 0.028 25125 9090 1 14 . 1 1 30 30 CYS N N 30 128.387 128.387 121.581 6.806 25125 9091 1 14 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.480 0.463 25125 9092 1 14 . 1 1 30 30 CYS C C 30 173.846 173.846 173.743 0.103 25125 9093 1 14 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.609 -0.247 25125 9094 1 14 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.417 -0.937 25125 9095 1 14 . 1 1 30 30 CYS H H 30 8.968 8.968 8.370 0.598 25125 9096 1 14 . 1 1 31 31 THR N N 31 126.481 126.481 123.353 3.128 25125 9097 1 14 . 1 1 31 31 THR HA H 31 4.433 4.433 4.330 0.103 25125 9098 1 14 . 1 1 31 31 THR C C 31 172.609 172.609 173.266 -0.657 25125 9099 1 14 . 1 1 31 31 THR CA C 31 61.951 61.951 61.274 0.677 25125 9100 1 14 . 1 1 31 31 THR CB C 31 70.567 70.567 69.544 1.023 25125 9101 1 14 . 1 1 31 31 THR H H 31 8.614 8.614 8.400 0.214 25125 9102 1 14 . 1 1 32 32 THR N N 32 116.418 116.418 117.621 -1.203 25125 9103 1 14 . 1 1 32 32 THR HA H 32 5.330 5.330 4.696 0.634 25125 9104 1 14 . 1 1 32 32 THR C C 32 172.306 172.306 172.868 -0.562 25125 9105 1 14 . 1 1 32 32 THR CA C 32 59.173 59.173 60.620 -1.447 25125 9106 1 14 . 1 1 32 32 THR CB C 32 70.917 70.917 69.935 0.982 25125 9107 1 14 . 1 1 32 32 THR H H 32 8.299 8.299 8.166 0.133 25125 9108 1 14 . 1 1 33 33 PHE N N 33 118.067 118.067 122.977 -4.910 25125 9109 1 14 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.772 -0.129 25125 9110 1 14 . 1 1 33 33 PHE C C 33 174.341 174.341 175.035 -0.694 25125 9111 1 14 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.114 0.418 25125 9112 1 14 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.135 1.174 25125 9113 1 14 . 1 1 33 33 PHE H H 33 8.890 8.890 8.698 0.192 25125 9114 1 14 . 1 1 34 34 GLU N N 34 118.499 118.499 116.998 1.501 25125 9115 1 14 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.687 -0.333 25125 9116 1 14 . 1 1 34 34 GLU C C 34 175.414 175.414 175.397 0.017 25125 9117 1 14 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.775 0.917 25125 9118 1 14 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.797 0.670 25125 9119 1 14 . 1 1 34 34 GLU H H 34 9.023 9.023 8.965 0.058 25125 9120 1 14 . 1 1 35 35 ASN N N 35 109.907 109.907 118.603 -8.696 25125 9121 1 14 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.858 -0.077 25125 9122 1 14 . 1 1 35 35 ASN C C 35 175.139 175.139 176.067 -0.928 25125 9123 1 14 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.388 -1.242 25125 9124 1 14 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.487 0.836 25125 9125 1 14 . 1 1 35 35 ASN H H 35 7.401 7.401 7.638 -0.237 25125 9126 1 14 . 1 1 36 36 GLY N N 36 106.739 106.739 112.020 -5.281 25125 9127 1 14 . 1 1 36 36 GLY C C 36 174.616 174.616 174.878 -0.262 25125 9128 1 14 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.154 -0.138 25125 9129 1 14 . 1 1 36 36 GLY H H 36 8.877 8.877 9.003 -0.126 25125 9130 1 14 . 1 1 37 37 ASN N N 37 120.462 120.462 117.866 2.596 25125 9131 1 14 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.536 -0.174 25125 9132 1 14 . 1 1 37 37 ASN C C 37 178.686 178.686 177.036 1.650 25125 9133 1 14 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.002 1.530 25125 9134 1 14 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.417 -0.833 25125 9135 1 14 . 1 1 37 37 ASN H H 37 8.366 8.366 8.493 -0.127 25125 9136 1 14 . 1 1 38 38 GLU N N 38 119.360 119.360 119.226 0.134 25125 9137 1 14 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.241 -0.171 25125 9138 1 14 . 1 1 38 38 GLU C C 38 179.263 179.263 178.038 1.225 25125 9139 1 14 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.124 0.508 25125 9140 1 14 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.930 0.602 25125 9141 1 14 . 1 1 38 38 GLU H H 38 7.990 7.990 8.005 -0.015 25125 9142 1 14 . 1 1 39 39 VAL N N 39 119.259 119.259 119.447 -0.188 25125 9143 1 14 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.020 -0.252 25125 9144 1 14 . 1 1 39 39 VAL C C 39 176.431 176.431 177.248 -0.817 25125 9145 1 14 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.346 -0.403 25125 9146 1 14 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.815 -0.740 25125 9147 1 14 . 1 1 39 39 VAL H H 39 6.883 6.883 7.168 -0.285 25125 9148 1 14 . 1 1 40 40 LEU N N 40 119.627 119.627 121.248 -1.621 25125 9149 1 14 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.006 -0.079 25125 9150 1 14 . 1 1 40 40 LEU C C 40 179.538 179.538 177.946 1.592 25125 9151 1 14 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.056 -0.117 25125 9152 1 14 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.508 -0.440 25125 9153 1 14 . 1 1 40 40 LEU H H 40 7.692 7.692 7.561 0.131 25125 9154 1 14 . 1 1 41 41 ALA N N 41 120.051 120.051 120.502 -0.451 25125 9155 1 14 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.089 0.051 25125 9156 1 14 . 1 1 41 41 ALA C C 41 180.528 180.528 179.672 0.856 25125 9157 1 14 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.773 -0.123 25125 9158 1 14 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.827 0.039 25125 9159 1 14 . 1 1 41 41 ALA H H 41 7.553 7.553 7.918 -0.365 25125 9160 1 14 . 1 1 42 42 ALA N N 42 122.731 122.731 121.729 1.002 25125 9161 1 14 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.169 0.030 25125 9162 1 14 . 1 1 42 42 ALA C C 42 180.198 180.198 180.323 -0.125 25125 9163 1 14 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.458 0.574 25125 9164 1 14 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.274 1.125 25125 9165 1 14 . 1 1 42 42 ALA H H 42 7.604 7.604 7.254 0.350 25125 9166 1 14 . 1 1 43 43 LEU N N 43 119.131 119.131 118.771 0.360 25125 9167 1 14 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.891 1.315 25125 9168 1 14 . 1 1 43 43 LEU C C 43 177.421 177.421 178.549 -1.128 25125 9169 1 14 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.516 -1.971 25125 9170 1 14 . 1 1 43 43 LEU CB C 43 42.604 42.604 40.996 1.608 25125 9171 1 14 . 1 1 43 43 LEU H H 43 8.288 8.288 7.956 0.332 25125 9172 1 14 . 1 1 44 44 ALA N N 44 119.065 119.065 118.554 0.511 25125 9173 1 14 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.135 0.094 25125 9174 1 14 . 1 1 44 44 ALA C C 44 178.686 178.686 178.477 0.209 25125 9175 1 14 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.767 0.471 25125 9176 1 14 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.424 0.092 25125 9177 1 14 . 1 1 44 44 ALA H H 44 7.302 7.302 7.662 -0.360 25125 9178 1 14 . 1 1 45 45 SER N N 45 108.656 108.656 114.988 -6.332 25125 9179 1 14 . 1 1 45 45 SER HA H 45 4.742 4.742 4.337 0.405 25125 9180 1 14 . 1 1 45 45 SER C C 45 173.296 173.296 176.153 -2.857 25125 9181 1 14 . 1 1 45 45 SER CA C 45 58.656 58.656 60.848 -2.192 25125 9182 1 14 . 1 1 45 45 SER CB C 45 65.407 65.407 63.745 1.661 25125 9183 1 14 . 1 1 45 45 SER H H 45 7.728 7.728 8.064 -0.336 25125 9184 1 14 . 1 1 46 46 LYS N N 46 123.016 123.016 116.923 6.093 25125 9185 1 14 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.632 -0.046 25125 9186 1 14 . 1 1 46 46 LYS C C 46 172.719 172.719 175.760 -3.041 25125 9187 1 14 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.318 -0.805 25125 9188 1 14 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.650 2.575 25125 9189 1 14 . 1 1 46 46 LYS H H 46 8.101 8.101 7.964 0.137 25125 9190 1 14 . 1 1 47 47 THR N N 47 111.780 111.780 113.616 -1.836 25125 9191 1 14 . 1 1 47 47 THR HA H 47 4.282 4.282 3.835 0.447 25125 9192 1 14 . 1 1 47 47 THR CA C 47 57.806 57.806 62.225 -4.419 25125 9193 1 14 . 1 1 47 47 THR CB C 47 70.594 70.594 68.054 2.540 25125 9194 1 14 . 1 1 47 47 THR H H 47 7.677 7.677 7.716 -0.039 25125 9195 1 14 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.799 0.106 25125 9196 1 14 . 1 1 48 48 PRO C C 48 172.966 172.966 175.924 -2.958 25125 9197 1 14 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.748 -0.882 25125 9198 1 14 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.590 -1.313 25125 9199 1 14 . 1 1 49 49 ASP N N 49 115.035 115.035 118.569 -3.534 25125 9200 1 14 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.539 -0.095 25125 9201 1 14 . 1 1 49 49 ASP C C 49 175.634 175.634 175.105 0.529 25125 9202 1 14 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.443 1.004 25125 9203 1 14 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.897 -0.385 25125 9204 1 14 . 1 1 49 49 ASP H H 49 8.502 8.502 8.194 0.308 25125 9205 1 14 . 1 1 50 50 VAL N N 50 112.082 112.082 114.997 -2.915 25125 9206 1 14 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.410 -0.130 25125 9207 1 14 . 1 1 50 50 VAL C C 50 171.454 171.454 172.953 -1.499 25125 9208 1 14 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.953 -1.391 25125 9209 1 14 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.214 0.422 25125 9210 1 14 . 1 1 50 50 VAL H H 50 7.173 7.173 7.170 0.003 25125 9211 1 14 . 1 1 51 51 LEU N N 51 128.247 128.247 126.340 1.907 25125 9212 1 14 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.427 -0.108 25125 9213 1 14 . 1 1 51 51 LEU C C 51 173.104 173.104 175.153 -2.049 25125 9214 1 14 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.854 0.364 25125 9215 1 14 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.499 0.007 25125 9216 1 14 . 1 1 51 51 LEU H H 51 8.059 8.059 8.252 -0.193 25125 9217 1 14 . 1 1 52 52 LEU N N 52 128.407 128.407 120.768 7.639 25125 9218 1 14 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.178 0.323 25125 9219 1 14 . 1 1 52 52 LEU C C 52 175.414 175.414 176.392 -0.978 25125 9220 1 14 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.020 0.303 25125 9221 1 14 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.250 2.271 25125 9222 1 14 . 1 1 52 52 LEU H H 52 9.242 9.242 8.139 1.103 25125 9223 1 14 . 1 1 53 53 SER N N 53 114.946 114.946 117.831 -2.885 25125 9224 1 14 . 1 1 53 53 SER HA H 53 5.595 5.595 4.432 1.163 25125 9225 1 14 . 1 1 53 53 SER C C 53 174.644 174.644 174.378 0.266 25125 9226 1 14 . 1 1 53 53 SER CA C 53 55.954 55.954 57.825 -1.871 25125 9227 1 14 . 1 1 53 53 SER CB C 53 66.473 66.473 64.608 1.865 25125 9228 1 14 . 1 1 53 53 SER H H 53 8.695 8.695 7.956 0.739 25125 9229 1 14 . 1 1 54 54 ASP N N 54 128.341 128.341 126.736 1.605 25125 9230 1 14 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.580 0.745 25125 9231 1 14 . 1 1 54 54 ASP C C 54 176.816 176.816 176.258 0.558 25125 9232 1 14 . 1 1 54 54 ASP CA C 54 54.493 54.493 54.247 0.246 25125 9233 1 14 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.725 0.603 25125 9234 1 14 . 1 1 54 54 ASP H H 54 7.886 7.886 8.329 -0.443 25125 9235 1 14 . 1 1 55 55 ILE N N 55 121.229 121.229 117.816 3.413 25125 9236 1 14 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.924 0.261 25125 9237 1 14 . 1 1 55 55 ILE C C 55 175.084 175.084 173.930 1.154 25125 9238 1 14 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.029 -0.487 25125 9239 1 14 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.029 3.001 25125 9240 1 14 . 1 1 55 55 ILE H H 55 8.722 8.722 7.920 0.802 25125 9241 1 14 . 1 1 56 56 ARG N N 56 124.188 124.188 123.178 1.010 25125 9242 1 14 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.550 -0.045 25125 9243 1 14 . 1 1 56 56 ARG C C 56 175.661 175.661 174.317 1.344 25125 9244 1 14 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.058 -0.617 25125 9245 1 14 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.529 -1.167 25125 9246 1 14 . 1 1 56 56 ARG H H 56 8.499 8.499 8.356 0.143 25125 9247 1 14 . 1 1 57 57 MET N N 57 122.581 122.581 117.554 5.027 25125 9248 1 14 . 1 1 57 57 MET HA H 57 4.821 4.821 4.956 -0.135 25125 9249 1 14 . 1 1 57 57 MET CA C 57 53.132 53.132 53.859 -0.727 25125 9250 1 14 . 1 1 57 57 MET CB C 57 33.445 33.445 33.523 -0.078 25125 9251 1 14 . 1 1 57 57 MET H H 57 7.956 7.956 7.874 0.082 25125 9252 1 14 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.383 0.010 25125 9253 1 14 . 1 1 58 58 PRO C C 58 177.806 177.806 177.203 0.603 25125 9254 1 14 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.974 -0.475 25125 9255 1 14 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.964 -0.157 25125 9256 1 14 . 1 1 59 59 GLY N N 59 111.082 111.082 108.461 2.621 25125 9257 1 14 . 1 1 59 59 GLY C C 59 173.626 173.626 173.473 0.153 25125 9258 1 14 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.587 1.003 25125 9259 1 14 . 1 1 59 59 GLY H H 59 8.653 8.653 8.069 0.584 25125 9260 1 14 . 1 1 60 60 MET N N 60 120.052 120.052 122.103 -2.051 25125 9261 1 14 . 1 1 60 60 MET HA H 60 4.525 4.525 4.189 0.336 25125 9262 1 14 . 1 1 60 60 MET C C 60 173.956 173.956 175.913 -1.957 25125 9263 1 14 . 1 1 60 60 MET CA C 60 55.047 55.047 55.475 -0.428 25125 9264 1 14 . 1 1 60 60 MET CB C 60 34.506 34.506 31.668 2.838 25125 9265 1 14 . 1 1 60 60 MET H H 60 7.968 7.968 8.484 -0.516 25125 9266 1 14 . 1 1 61 61 ASP N N 61 121.306 121.306 118.619 2.687 25125 9267 1 14 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.371 0.333 25125 9268 1 14 . 1 1 61 61 ASP C C 61 176.761 176.761 177.575 -0.814 25125 9269 1 14 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.822 -2.093 25125 9270 1 14 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.151 -0.082 25125 9271 1 14 . 1 1 61 61 ASP H H 61 8.379 8.379 8.575 -0.196 25125 9272 1 14 . 1 1 62 62 GLY N N 62 110.874 110.874 104.641 6.233 25125 9273 1 14 . 1 1 62 62 GLY C C 62 175.194 175.194 175.593 -0.399 25125 9274 1 14 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.052 2.049 25125 9275 1 14 . 1 1 62 62 GLY H H 62 8.707 8.707 8.138 0.569 25125 9276 1 14 . 1 1 63 63 LEU N N 63 121.299 121.299 123.246 -1.947 25125 9277 1 14 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.373 -0.196 25125 9278 1 14 . 1 1 63 63 LEU C C 63 178.356 178.356 178.008 0.348 25125 9279 1 14 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.369 0.509 25125 9280 1 14 . 1 1 63 63 LEU CB C 63 41.238 41.238 41.486 -0.248 25125 9281 1 14 . 1 1 63 63 LEU H H 63 8.045 8.045 7.853 0.192 25125 9282 1 14 . 1 1 64 64 ALA N N 64 122.741 122.741 123.641 -0.900 25125 9283 1 14 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.012 0.050 25125 9284 1 14 . 1 1 64 64 ALA C C 64 180.556 180.556 179.481 1.075 25125 9285 1 14 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.667 -1.052 25125 9286 1 14 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.020 -0.020 25125 9287 1 14 . 1 1 64 64 ALA H H 64 7.859 7.859 8.339 -0.480 25125 9288 1 14 . 1 1 65 65 LEU N N 65 120.287 120.287 114.804 5.483 25125 9289 1 14 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.311 -0.249 25125 9290 1 14 . 1 1 65 65 LEU C C 65 178.191 178.191 178.654 -0.463 25125 9291 1 14 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.521 0.498 25125 9292 1 14 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.637 -0.399 25125 9293 1 14 . 1 1 65 65 LEU H H 65 8.022 8.022 7.842 0.180 25125 9294 1 14 . 1 1 66 66 LEU N N 66 118.738 118.738 121.245 -2.507 25125 9295 1 14 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.040 -0.182 25125 9296 1 14 . 1 1 66 66 LEU C C 66 178.631 178.631 179.248 -0.617 25125 9297 1 14 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.082 0.264 25125 9298 1 14 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.818 0.420 25125 9299 1 14 . 1 1 66 66 LEU H H 66 8.101 8.101 7.731 0.370 25125 9300 1 14 . 1 1 67 67 LYS N N 67 117.842 117.842 118.011 -0.169 25125 9301 1 14 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.006 -0.024 25125 9302 1 14 . 1 1 67 67 LYS C C 67 179.263 179.263 179.107 0.156 25125 9303 1 14 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.703 0.095 25125 9304 1 14 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.139 0.068 25125 9305 1 14 . 1 1 67 67 LYS H H 67 8.010 8.010 8.396 -0.386 25125 9306 1 14 . 1 1 68 68 GLN N N 68 118.875 118.875 118.036 0.839 25125 9307 1 14 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.221 -0.165 25125 9308 1 14 . 1 1 68 68 GLN C C 68 179.071 179.071 177.775 1.296 25125 9309 1 14 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.342 0.731 25125 9310 1 14 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.495 0.116 25125 9311 1 14 . 1 1 68 68 GLN H H 68 7.809 7.809 7.472 0.337 25125 9312 1 14 . 1 1 69 69 ILE N N 69 120.377 120.377 122.532 -2.155 25125 9313 1 14 . 1 1 69 69 ILE HA H 69 3.530 3.530 4.046 -0.516 25125 9314 1 14 . 1 1 69 69 ILE C C 69 177.421 177.421 178.313 -0.892 25125 9315 1 14 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.956 0.922 25125 9316 1 14 . 1 1 69 69 ILE CB C 69 37.584 37.584 38.003 -0.419 25125 9317 1 14 . 1 1 69 69 ILE H H 69 8.481 8.481 8.300 0.181 25125 9318 1 14 . 1 1 70 70 LYS N N 70 117.873 117.873 118.582 -0.709 25125 9319 1 14 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.213 -0.253 25125 9320 1 14 . 1 1 70 70 LYS C C 70 178.053 178.053 178.674 -0.621 25125 9321 1 14 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.146 -1.058 25125 9322 1 14 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.733 -0.521 25125 9323 1 14 . 1 1 70 70 LYS H H 70 8.220 8.220 7.999 0.221 25125 9324 1 14 . 1 1 71 71 GLN N N 71 116.315 116.315 118.674 -2.359 25125 9325 1 14 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.176 -0.184 25125 9326 1 14 . 1 1 71 71 GLN C C 71 177.366 177.366 177.590 -0.224 25125 9327 1 14 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.065 0.125 25125 9328 1 14 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.171 -0.506 25125 9329 1 14 . 1 1 71 71 GLN H H 71 7.601 7.601 7.522 0.079 25125 9330 1 14 . 1 1 72 72 ARG N N 72 116.530 116.530 117.924 -1.394 25125 9331 1 14 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.032 -0.002 25125 9332 1 14 . 1 1 72 72 ARG C C 72 175.826 175.826 176.483 -0.657 25125 9333 1 14 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.539 -0.317 25125 9334 1 14 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.038 0.763 25125 9335 1 14 . 1 1 72 72 ARG H H 72 7.301 7.301 8.007 -0.706 25125 9336 1 14 . 1 1 73 73 HIS N N 73 116.755 116.755 116.391 0.364 25125 9337 1 14 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.013 -0.053 25125 9338 1 14 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.434 -0.216 25125 9339 1 14 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.044 0.518 25125 9340 1 14 . 1 1 73 73 HIS H H 73 8.331 8.331 7.568 0.763 25125 9341 1 14 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.493 0.006 25125 9342 1 14 . 1 1 74 74 PRO C C 74 178.466 178.466 177.898 0.568 25125 9343 1 14 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.119 -0.006 25125 9344 1 14 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.345 -0.250 25125 9345 1 14 . 1 1 75 75 MET N N 75 114.814 114.814 113.451 1.363 25125 9346 1 14 . 1 1 75 75 MET HA H 75 4.567 4.567 4.420 0.147 25125 9347 1 14 . 1 1 75 75 MET C C 75 176.046 176.046 175.715 0.331 25125 9348 1 14 . 1 1 75 75 MET CA C 75 54.266 54.266 56.077 -1.811 25125 9349 1 14 . 1 1 75 75 MET CB C 75 31.288 31.288 31.984 -0.696 25125 9350 1 14 . 1 1 75 75 MET H H 75 8.623 8.623 7.863 0.760 25125 9351 1 14 . 1 1 76 76 LEU N N 76 125.533 125.533 123.143 2.390 25125 9352 1 14 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.751 -0.446 25125 9353 1 14 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.293 1.819 25125 9354 1 14 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.015 0.670 25125 9355 1 14 . 1 1 76 76 LEU H H 76 7.337 7.337 7.075 0.262 25125 9356 1 14 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.523 -0.077 25125 9357 1 14 . 1 1 77 77 PRO C C 77 174.974 174.974 175.208 -0.234 25125 9358 1 14 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.599 0.228 25125 9359 1 14 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.409 -0.687 25125 9360 1 14 . 1 1 78 78 VAL N N 78 123.779 123.779 120.544 3.235 25125 9361 1 14 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.542 0.482 25125 9362 1 14 . 1 1 78 78 VAL C C 78 175.441 175.441 175.300 0.141 25125 9363 1 14 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.558 -0.365 25125 9364 1 14 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.895 -1.601 25125 9365 1 14 . 1 1 78 78 VAL H H 78 8.317 8.317 8.137 0.180 25125 9366 1 14 . 1 1 79 79 ILE N N 79 128.334 128.334 120.963 7.371 25125 9367 1 14 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.805 -0.324 25125 9368 1 14 . 1 1 79 79 ILE C C 79 174.479 174.479 174.852 -0.373 25125 9369 1 14 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.100 -0.578 25125 9370 1 14 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.325 -2.362 25125 9371 1 14 . 1 1 79 79 ILE H H 79 9.292 9.292 8.523 0.769 25125 9372 1 14 . 1 1 80 80 ILE N N 80 127.023 127.023 124.832 2.191 25125 9373 1 14 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.330 0.529 25125 9374 1 14 . 1 1 80 80 ILE C C 80 175.029 175.029 174.948 0.081 25125 9375 1 14 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.754 -1.597 25125 9376 1 14 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.579 -1.635 25125 9377 1 14 . 1 1 80 80 ILE H H 80 7.938 7.938 8.821 -0.883 25125 9378 1 14 . 1 1 81 81 MET N N 81 127.255 127.255 125.851 1.404 25125 9379 1 14 . 1 1 81 81 MET HA H 81 5.521 5.521 5.525 -0.004 25125 9380 1 14 . 1 1 81 81 MET C C 81 174.534 174.534 175.379 -0.845 25125 9381 1 14 . 1 1 81 81 MET CA C 81 53.513 53.513 54.988 -1.475 25125 9382 1 14 . 1 1 81 81 MET CB C 81 35.483 35.483 35.008 0.475 25125 9383 1 14 . 1 1 81 81 MET H H 81 8.801 8.801 8.492 0.309 25125 9384 1 14 . 1 1 82 82 THR N N 82 112.857 112.857 118.190 -5.333 25125 9385 1 14 . 1 1 82 82 THR HA H 82 4.914 4.914 4.544 0.370 25125 9386 1 14 . 1 1 82 82 THR C C 82 172.581 172.581 172.892 -0.311 25125 9387 1 14 . 1 1 82 82 THR CA C 82 59.561 59.561 63.560 -3.999 25125 9388 1 14 . 1 1 82 82 THR CB C 82 69.989 69.989 70.081 -0.092 25125 9389 1 14 . 1 1 82 82 THR H H 82 7.623 7.623 8.123 -0.500 25125 9390 1 14 . 1 1 83 83 ALA N N 83 129.541 129.541 125.982 3.559 25125 9391 1 14 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.998 0.710 25125 9392 1 14 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.812 -1.274 25125 9393 1 14 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.821 2.326 25125 9394 1 14 . 1 1 83 83 ALA H H 83 9.149 9.149 8.316 0.833 25125 9395 1 14 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.556 -0.284 25125 9396 1 14 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.932 3.768 25125 9397 1 14 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.996 -0.978 25125 9398 1 14 . 1 1 85 85 SER N N 85 112.633 112.633 114.194 -1.561 25125 9399 1 14 . 1 1 85 85 SER HA H 85 4.198 4.198 4.443 -0.245 25125 9400 1 14 . 1 1 85 85 SER C C 85 174.506 174.506 173.347 1.159 25125 9401 1 14 . 1 1 85 85 SER CA C 85 59.823 59.823 58.658 1.165 25125 9402 1 14 . 1 1 85 85 SER CB C 85 62.693 62.693 63.729 -1.036 25125 9403 1 14 . 1 1 85 85 SER H H 85 8.224 8.224 7.257 0.967 25125 9404 1 14 . 1 1 86 86 ASP N N 86 120.886 120.886 120.831 0.055 25125 9405 1 14 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.575 0.361 25125 9406 1 14 . 1 1 86 86 ASP C C 86 175.881 175.881 176.074 -0.193 25125 9407 1 14 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.120 -1.187 25125 9408 1 14 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.827 0.176 25125 9409 1 14 . 1 1 86 86 ASP H H 86 7.608 7.608 8.063 -0.455 25125 9410 1 14 . 1 1 87 87 LEU N N 87 121.913 121.913 120.817 1.096 25125 9411 1 14 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.532 0.387 25125 9412 1 14 . 1 1 87 87 LEU C C 87 177.586 177.586 177.906 -0.320 25125 9413 1 14 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.837 -1.000 25125 9414 1 14 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.586 0.729 25125 9415 1 14 . 1 1 87 87 LEU H H 87 7.498 7.498 8.111 -0.613 25125 9416 1 14 . 1 1 88 88 ASP N N 88 117.621 117.621 117.594 0.027 25125 9417 1 14 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.197 0.075 25125 9418 1 14 . 1 1 88 88 ASP C C 88 178.246 178.246 177.571 0.675 25125 9419 1 14 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.584 -0.774 25125 9420 1 14 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.165 -0.031 25125 9421 1 14 . 1 1 88 88 ASP H H 88 8.322 8.322 8.479 -0.157 25125 9422 1 14 . 1 1 89 89 ALA N N 89 122.874 122.874 120.844 2.030 25125 9423 1 14 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.395 -0.301 25125 9424 1 14 . 1 1 89 89 ALA C C 89 179.346 179.346 179.395 -0.049 25125 9425 1 14 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.310 -0.157 25125 9426 1 14 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.730 -0.469 25125 9427 1 14 . 1 1 89 89 ALA H H 89 7.838 7.838 7.420 0.418 25125 9428 1 14 . 1 1 90 90 ALA N N 90 121.673 121.673 121.622 0.051 25125 9429 1 14 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.130 -0.197 25125 9430 1 14 . 1 1 90 90 ALA C C 90 178.686 178.686 179.715 -1.029 25125 9431 1 14 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.883 -0.220 25125 9432 1 14 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.132 0.250 25125 9433 1 14 . 1 1 90 90 ALA H H 90 7.896 7.896 8.406 -0.510 25125 9434 1 14 . 1 1 91 91 VAL N N 91 117.749 117.749 118.632 -0.883 25125 9435 1 14 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.008 -0.396 25125 9436 1 14 . 1 1 91 91 VAL C C 91 178.411 178.411 178.395 0.016 25125 9437 1 14 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.132 -0.952 25125 9438 1 14 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.641 -0.004 25125 9439 1 14 . 1 1 91 91 VAL H H 91 8.098 8.098 8.474 -0.376 25125 9440 1 14 . 1 1 92 92 SER N N 92 114.942 114.942 113.227 1.715 25125 9441 1 14 . 1 1 92 92 SER HA H 92 4.231 4.231 4.417 -0.186 25125 9442 1 14 . 1 1 92 92 SER C C 92 175.826 175.826 174.998 0.828 25125 9443 1 14 . 1 1 92 92 SER CA C 92 60.649 60.649 59.765 0.884 25125 9444 1 14 . 1 1 92 92 SER CB C 92 63.063 63.063 63.513 -0.450 25125 9445 1 14 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125 9446 1 14 . 1 1 93 93 ALA N N 93 122.580 122.580 123.376 -0.796 25125 9447 1 14 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.258 -0.201 25125 9448 1 14 . 1 1 93 93 ALA C C 93 178.906 178.906 179.282 -0.376 25125 9449 1 14 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.111 0.206 25125 9450 1 14 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.872 -0.575 25125 9451 1 14 . 1 1 93 93 ALA H H 93 7.861 7.861 8.174 -0.313 25125 9452 1 14 . 1 1 94 94 TYR N N 94 118.447 118.447 121.674 -3.227 25125 9453 1 14 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.198 0.294 25125 9454 1 14 . 1 1 94 94 TYR C C 94 177.393 177.393 177.140 0.253 25125 9455 1 14 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.553 -1.302 25125 9456 1 14 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.537 -0.103 25125 9457 1 14 . 1 1 94 94 TYR H H 94 8.150 8.150 7.783 0.367 25125 9458 1 14 . 1 1 95 95 GLN N N 95 119.787 119.787 115.843 3.944 25125 9459 1 14 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.970 0.073 25125 9460 1 14 . 1 1 95 95 GLN C C 95 176.981 176.981 176.924 0.057 25125 9461 1 14 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.787 0.679 25125 9462 1 14 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.370 0.719 25125 9463 1 14 . 1 1 95 95 GLN H H 95 8.271 8.271 7.865 0.406 25125 9464 1 14 . 1 1 96 96 GLN N N 96 117.878 117.878 119.503 -1.625 25125 9465 1 14 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.250 0.095 25125 9466 1 14 . 1 1 96 96 GLN C C 96 175.854 175.854 176.257 -0.403 25125 9467 1 14 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.041 0.131 25125 9468 1 14 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.709 0.766 25125 9469 1 14 . 1 1 96 96 GLN H H 96 7.944 7.944 7.969 -0.025 25125 9470 1 14 . 1 1 97 97 GLY N N 97 106.670 106.670 105.828 0.842 25125 9471 1 14 . 1 1 97 97 GLY C C 97 174.231 174.231 172.934 1.297 25125 9472 1 14 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.733 0.753 25125 9473 1 14 . 1 1 97 97 GLY H H 97 7.949 7.949 7.387 0.562 25125 9474 1 14 . 1 1 98 98 ALA N N 98 122.898 122.898 121.376 1.522 25125 9475 1 14 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.547 -0.172 25125 9476 1 14 . 1 1 98 98 ALA C C 98 175.991 175.991 175.230 0.761 25125 9477 1 14 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.927 2.241 25125 9478 1 14 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.509 -1.540 25125 9479 1 14 . 1 1 98 98 ALA H H 98 7.808 7.808 7.157 0.651 25125 9480 1 14 . 1 1 99 99 PHE N N 99 123.484 123.484 118.619 4.865 25125 9481 1 14 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.454 -0.104 25125 9482 1 14 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.200 2.256 25125 9483 1 14 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.282 -0.842 25125 9484 1 14 . 1 1 99 99 PHE H H 99 7.704 7.704 8.116 -0.412 25125 9485 1 14 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.895 0.609 25125 9486 1 14 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.042 -1.560 25125 9487 1 14 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.137 4.063 25125 9488 1 14 . 1 1 101 101 TYR N N 101 118.148 118.148 120.371 -2.223 25125 9489 1 14 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.464 0.984 25125 9490 1 14 . 1 1 101 101 TYR C C 101 173.159 173.159 174.450 -1.291 25125 9491 1 14 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.691 -0.704 25125 9492 1 14 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.099 2.799 25125 9493 1 14 . 1 1 101 101 TYR H H 101 9.546 9.546 7.342 2.204 25125 9494 1 14 . 1 1 102 102 LEU N N 102 124.100 124.100 120.633 3.467 25125 9495 1 14 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.089 -0.369 25125 9496 1 14 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.159 -0.660 25125 9497 1 14 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.179 -0.118 25125 9498 1 14 . 1 1 102 102 LEU H H 102 8.901 8.901 8.737 0.164 25125 9499 1 14 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.683 0.210 25125 9500 1 14 . 1 1 103 103 PRO C C 103 175.524 175.524 175.382 0.142 25125 9501 1 14 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.421 -0.536 25125 9502 1 14 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.099 -0.292 25125 9503 1 14 . 1 1 104 104 LYS N N 104 118.848 118.848 121.553 -2.705 25125 9504 1 14 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.918 -0.405 25125 9505 1 14 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.785 -0.567 25125 9506 1 14 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.119 1.625 25125 9507 1 14 . 1 1 104 104 LYS H H 104 8.279 8.279 8.076 0.203 25125 9508 1 14 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.594 -0.295 25125 9509 1 14 . 1 1 105 105 PRO C C 105 175.001 175.001 175.355 -0.354 25125 9510 1 14 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.545 -0.151 25125 9511 1 14 . 1 1 105 105 PRO CB C 105 34.095 34.095 31.930 2.165 25125 9512 1 14 . 1 1 106 106 PHE N N 106 116.607 116.607 114.415 2.192 25125 9513 1 14 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.703 0.467 25125 9514 1 14 . 1 1 106 106 PHE C C 106 175.221 175.221 173.810 1.411 25125 9515 1 14 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.991 -2.556 25125 9516 1 14 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.180 0.220 25125 9517 1 14 . 1 1 106 106 PHE H H 106 7.457 7.457 7.506 -0.049 25125 9518 1 14 . 1 1 107 107 ASP N N 107 122.214 122.214 122.045 0.169 25125 9519 1 14 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.079 -0.247 25125 9520 1 14 . 1 1 107 107 ASP C C 107 177.778 177.778 177.154 0.624 25125 9521 1 14 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.410 -0.168 25125 9522 1 14 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.215 1.382 25125 9523 1 14 . 1 1 107 107 ASP H H 107 9.022 9.022 8.761 0.261 25125 9524 1 14 . 1 1 108 108 ILE N N 108 127.706 127.706 125.543 2.163 25125 9525 1 14 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.782 0.183 25125 9526 1 14 . 1 1 108 108 ILE C C 108 176.046 176.046 177.411 -1.365 25125 9527 1 14 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.653 -1.664 25125 9528 1 14 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.138 -0.384 25125 9529 1 14 . 1 1 108 108 ILE H H 108 8.860 8.860 8.742 0.118 25125 9530 1 14 . 1 1 109 109 ASP N N 109 120.058 120.058 119.302 0.756 25125 9531 1 14 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.352 0.036 25125 9532 1 14 . 1 1 109 109 ASP C C 109 179.786 179.786 179.008 0.778 25125 9533 1 14 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.546 -0.052 25125 9534 1 14 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.244 -0.190 25125 9535 1 14 . 1 1 109 109 ASP H H 109 8.079 8.079 8.565 -0.486 25125 9536 1 14 . 1 1 110 110 GLU N N 110 121.559 121.559 119.219 2.340 25125 9537 1 14 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125 9538 1 14 . 1 1 110 110 GLU C C 110 179.043 179.043 178.540 0.503 25125 9539 1 14 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.458 0.368 25125 9540 1 14 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.991 -0.648 25125 9541 1 14 . 1 1 110 110 GLU H H 110 8.012 8.012 8.096 -0.084 25125 9542 1 14 . 1 1 111 111 ALA N N 111 122.267 122.267 123.493 -1.226 25125 9543 1 14 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.955 -0.201 25125 9544 1 14 . 1 1 111 111 ALA C C 111 178.493 178.493 179.522 -1.029 25125 9545 1 14 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.220 -0.048 25125 9546 1 14 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.245 0.137 25125 9547 1 14 . 1 1 111 111 ALA H H 111 7.897 7.897 7.777 0.120 25125 9548 1 14 . 1 1 112 112 VAL N N 112 116.527 116.527 117.884 -1.357 25125 9549 1 14 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.523 -0.356 25125 9550 1 14 . 1 1 112 112 VAL C C 112 177.201 177.201 177.746 -0.545 25125 9551 1 14 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.522 0.623 25125 9552 1 14 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.623 -0.071 25125 9553 1 14 . 1 1 112 112 VAL H H 112 8.018 8.018 8.417 -0.399 25125 9554 1 14 . 1 1 113 113 ALA N N 113 119.895 119.895 121.177 -1.282 25125 9555 1 14 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.223 -0.085 25125 9556 1 14 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.376 0.456 25125 9557 1 14 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.597 -0.725 25125 9558 1 14 . 1 1 113 113 ALA H H 113 7.673 7.673 7.337 0.336 25125 9559 1 14 . 1 1 114 114 LEU N N 114 120.650 120.650 120.729 -0.079 25125 9560 1 14 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.108 -0.025 25125 9561 1 14 . 1 1 114 114 LEU C C 114 178.466 178.466 178.269 0.197 25125 9562 1 14 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.621 0.399 25125 9563 1 14 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.070 -0.237 25125 9564 1 14 . 1 1 114 114 LEU H H 114 7.840 7.840 7.698 0.142 25125 9565 1 14 . 1 1 115 115 VAL N N 115 119.480 119.480 118.431 1.049 25125 9566 1 14 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.472 -0.260 25125 9567 1 14 . 1 1 115 115 VAL C C 115 177.448 177.448 177.135 0.313 25125 9568 1 14 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.001 1.200 25125 9569 1 14 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.508 -0.836 25125 9570 1 14 . 1 1 115 115 VAL H H 115 7.824 7.824 7.996 -0.172 25125 9571 1 14 . 1 1 116 116 GLU N N 116 117.473 117.473 118.896 -1.423 25125 9572 1 14 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.978 -0.189 25125 9573 1 14 . 1 1 116 116 GLU C C 116 179.566 179.566 178.479 1.087 25125 9574 1 14 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.620 0.310 25125 9575 1 14 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.346 -0.250 25125 9576 1 14 . 1 1 116 116 GLU H H 116 8.465 8.465 7.765 0.700 25125 9577 1 14 . 1 1 117 117 ARG N N 117 120.128 120.128 119.047 1.081 25125 9578 1 14 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125 9579 1 14 . 1 1 117 117 ARG C C 117 178.438 178.438 177.368 1.070 25125 9580 1 14 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.749 0.529 25125 9581 1 14 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.995 0.281 25125 9582 1 14 . 1 1 117 117 ARG H H 117 8.012 8.012 7.374 0.638 25125 9583 1 14 . 1 1 118 118 ALA N N 118 122.270 122.270 120.061 2.209 25125 9584 1 14 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.919 -0.463 25125 9585 1 14 . 1 1 118 118 ALA C C 118 178.741 178.741 178.367 0.374 25125 9586 1 14 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.711 0.867 25125 9587 1 14 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.755 -0.597 25125 9588 1 14 . 1 1 118 118 ALA H H 118 7.958 7.958 7.170 0.788 25125 9589 1 14 . 1 1 119 119 ILE N N 119 115.269 115.269 117.806 -2.537 25125 9590 1 14 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.183 -0.455 25125 9591 1 14 . 1 1 119 119 ILE C C 119 177.366 177.366 178.248 -0.882 25125 9592 1 14 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.084 -0.415 25125 9593 1 14 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.743 -0.945 25125 9594 1 14 . 1 1 119 119 ILE H H 119 7.753 7.753 7.408 0.345 25125 9595 1 14 . 1 1 120 120 SER N N 120 115.135 115.135 115.064 0.071 25125 9596 1 14 . 1 1 120 120 SER HA H 120 4.275 4.275 4.099 0.176 25125 9597 1 14 . 1 1 120 120 SER C C 120 175.084 175.084 175.829 -0.745 25125 9598 1 14 . 1 1 120 120 SER CA C 120 59.816 59.816 60.950 -1.133 25125 9599 1 14 . 1 1 120 120 SER CB C 120 63.380 63.380 62.961 0.419 25125 9600 1 14 . 1 1 120 120 SER H H 120 7.816 7.816 8.174 -0.358 25125 9601 1 14 . 1 1 121 121 HIS N N 121 119.908 119.908 118.043 1.865 25125 9602 1 14 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.159 0.263 25125 9603 1 14 . 1 1 121 121 HIS C C 121 175.029 175.029 176.117 -1.088 25125 9604 1 14 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.578 -1.342 25125 9605 1 14 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.751 -0.323 25125 9606 1 14 . 1 1 121 121 HIS H H 121 7.910 7.910 7.880 0.030 25125 9607 1 14 . 1 1 122 122 TYR N N 122 118.880 118.880 116.784 2.096 25125 9608 1 14 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.501 -0.075 25125 9609 1 14 . 1 1 122 122 TYR C C 122 175.276 175.276 177.437 -2.161 25125 9610 1 14 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.952 -0.503 25125 9611 1 14 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.626 -0.022 25125 9612 1 14 . 1 1 122 122 TYR H H 122 7.766 7.766 7.770 -0.004 25125 9613 1 14 . 1 1 123 123 GLN N N 123 121.479 121.479 119.161 2.318 25125 9614 1 14 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.181 0.089 25125 9615 1 14 . 1 1 123 123 GLN C C 123 174.534 174.534 176.011 -1.477 25125 9616 1 14 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.634 -2.122 25125 9617 1 14 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.320 0.448 25125 9618 1 14 . 1 1 123 123 GLN H H 123 7.878 7.878 7.840 0.038 25125 9619 1 15 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.055 0.378 25125 9620 1 15 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.689 -1.125 25125 9621 1 15 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.637 2.963 25125 9622 1 15 . 1 1 3 3 ARG N N 3 121.252 121.252 117.168 4.084 25125 9623 1 15 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.094 0.271 25125 9624 1 15 . 1 1 3 3 ARG C C 3 175.634 175.634 176.014 -0.380 25125 9625 1 15 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.716 -0.725 25125 9626 1 15 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.108 1.189 25125 9627 1 15 . 1 1 3 3 ARG H H 3 8.429 8.429 8.138 0.291 25125 9628 1 15 . 1 1 4 4 GLY N N 4 107.663 107.663 107.025 0.638 25125 9629 1 15 . 1 1 4 4 GLY C C 4 171.041 171.041 173.320 -2.279 25125 9630 1 15 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.423 0.893 25125 9631 1 15 . 1 1 4 4 GLY H H 4 7.963 7.963 7.718 0.245 25125 9632 1 15 . 1 1 5 5 ILE N N 5 122.603 122.603 124.970 -2.367 25125 9633 1 15 . 1 1 5 5 ILE HA H 5 4.699 4.699 3.999 0.700 25125 9634 1 15 . 1 1 5 5 ILE C C 5 175.359 175.359 174.790 0.569 25125 9635 1 15 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.885 -1.275 25125 9636 1 15 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.342 0.235 25125 9637 1 15 . 1 1 5 5 ILE H H 5 9.610 9.610 8.346 1.264 25125 9638 1 15 . 1 1 6 6 VAL N N 6 127.905 127.905 126.287 1.618 25125 9639 1 15 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.983 -0.171 25125 9640 1 15 . 1 1 6 6 VAL C C 6 174.204 174.204 175.231 -1.027 25125 9641 1 15 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.895 -1.335 25125 9642 1 15 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.517 1.009 25125 9643 1 15 . 1 1 6 6 VAL H H 6 9.090 9.090 7.938 1.152 25125 9644 1 15 . 1 1 7 7 TRP N N 7 127.467 127.467 128.117 -0.650 25125 9645 1 15 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.229 1.225 25125 9646 1 15 . 1 1 7 7 TRP C C 7 175.056 175.056 175.398 -0.342 25125 9647 1 15 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.295 -1.417 25125 9648 1 15 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.578 1.556 25125 9649 1 15 . 1 1 7 7 TRP H H 7 8.497 8.497 8.138 0.359 25125 9650 1 15 . 1 1 8 8 VAL N N 8 122.068 122.068 119.866 2.202 25125 9651 1 15 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.477 0.609 25125 9652 1 15 . 1 1 8 8 VAL C C 8 173.874 173.874 173.902 -0.028 25125 9653 1 15 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.025 -0.539 25125 9654 1 15 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.582 0.133 25125 9655 1 15 . 1 1 8 8 VAL H H 8 8.583 8.583 9.242 -0.659 25125 9656 1 15 . 1 1 9 9 VAL N N 9 127.733 127.733 124.965 2.768 25125 9657 1 15 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.609 0.352 25125 9658 1 15 . 1 1 9 9 VAL C C 9 173.131 173.131 173.501 -0.370 25125 9659 1 15 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.233 -0.558 25125 9660 1 15 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.684 -1.773 25125 9661 1 15 . 1 1 9 9 VAL H H 9 9.107 9.107 8.560 0.547 25125 9662 1 15 . 1 1 10 10 ASP N N 10 124.306 124.306 126.772 -2.466 25125 9663 1 15 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.018 -0.449 25125 9664 1 15 . 1 1 10 10 ASP C C 10 175.029 175.029 174.474 0.555 25125 9665 1 15 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.661 1.086 25125 9666 1 15 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.819 1.290 25125 9667 1 15 . 1 1 10 10 ASP H H 10 7.775 7.775 8.008 -0.233 25125 9668 1 15 . 1 1 11 11 ASP N N 11 126.714 126.714 117.032 9.682 25125 9669 1 15 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.766 -0.231 25125 9670 1 15 . 1 1 11 11 ASP C C 11 175.689 175.689 174.691 0.998 25125 9671 1 15 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.061 1.657 25125 9672 1 15 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.286 -0.212 25125 9673 1 15 . 1 1 11 11 ASP H H 11 9.033 9.033 8.512 0.521 25125 9674 1 15 . 1 1 12 12 ASP N N 12 121.877 121.877 117.763 4.114 25125 9675 1 15 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.863 -0.217 25125 9676 1 15 . 1 1 12 12 ASP C C 12 177.036 177.036 176.097 0.939 25125 9677 1 15 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.323 -0.020 25125 9678 1 15 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.935 -2.771 25125 9679 1 15 . 1 1 12 12 ASP H H 12 9.570 9.570 7.708 1.862 25125 9680 1 15 . 1 1 13 13 SER N N 13 123.799 123.799 118.452 5.347 25125 9681 1 15 . 1 1 13 13 SER HA H 13 3.761 3.761 4.240 -0.479 25125 9682 1 15 . 1 1 13 13 SER C C 13 176.156 176.156 176.038 0.118 25125 9683 1 15 . 1 1 13 13 SER CA C 13 61.186 61.186 61.818 -0.632 25125 9684 1 15 . 1 1 13 13 SER CB C 13 62.749 62.749 63.387 -0.638 25125 9685 1 15 . 1 1 13 13 SER H H 13 8.850 8.850 8.825 0.025 25125 9686 1 15 . 1 1 14 14 SER N N 14 119.123 119.123 116.614 2.509 25125 9687 1 15 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125 9688 1 15 . 1 1 14 14 SER C C 14 176.404 176.404 176.300 0.104 25125 9689 1 15 . 1 1 14 14 SER CA C 14 61.730 61.730 60.986 0.744 25125 9690 1 15 . 1 1 14 14 SER CB C 14 62.548 62.548 62.825 -0.277 25125 9691 1 15 . 1 1 14 14 SER H H 14 8.531 8.531 8.816 -0.285 25125 9692 1 15 . 1 1 15 15 ILE N N 15 123.637 123.637 120.978 2.659 25125 9693 1 15 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.026 -0.081 25125 9694 1 15 . 1 1 15 15 ILE C C 15 177.861 177.861 177.324 0.537 25125 9695 1 15 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.875 -1.675 25125 9696 1 15 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.235 -1.349 25125 9697 1 15 . 1 1 15 15 ILE H H 15 7.206 7.206 8.038 -0.832 25125 9698 1 15 . 1 1 16 16 ARG N N 16 116.694 116.694 119.951 -3.257 25125 9699 1 15 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.256 -0.533 25125 9700 1 15 . 1 1 16 16 ARG C C 16 177.448 177.448 178.462 -1.014 25125 9701 1 15 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.821 2.752 25125 9702 1 15 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.734 0.713 25125 9703 1 15 . 1 1 16 16 ARG H H 16 7.562 7.562 7.534 0.028 25125 9704 1 15 . 1 1 17 17 TRP N N 17 116.848 116.848 123.450 -6.602 25125 9705 1 15 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.398 0.073 25125 9706 1 15 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.195 -0.755 25125 9707 1 15 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.567 -0.275 25125 9708 1 15 . 1 1 17 17 TRP H H 17 8.005 8.005 8.654 -0.649 25125 9709 1 15 . 1 1 18 18 VAL N N 18 116.964 116.964 116.495 0.469 25125 9710 1 15 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125 9711 1 15 . 1 1 18 18 VAL C C 18 179.181 179.181 177.763 1.418 25125 9712 1 15 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.962 -0.254 25125 9713 1 15 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.075 0.562 25125 9714 1 15 . 1 1 18 18 VAL H H 18 8.110 8.110 7.603 0.507 25125 9715 1 15 . 1 1 19 19 LEU N N 19 120.186 120.186 117.396 2.790 25125 9716 1 15 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.122 -0.047 25125 9717 1 15 . 1 1 19 19 LEU C C 19 177.778 177.778 178.920 -1.142 25125 9718 1 15 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.896 0.926 25125 9719 1 15 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.498 0.283 25125 9720 1 15 . 1 1 19 19 LEU H H 19 8.073 8.073 7.621 0.452 25125 9721 1 15 . 1 1 20 20 GLU N N 20 120.193 120.193 120.143 0.050 25125 9722 1 15 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.022 -0.081 25125 9723 1 15 . 1 1 20 20 GLU C C 20 178.603 178.603 178.494 0.109 25125 9724 1 15 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.329 1.281 25125 9725 1 15 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.879 -0.791 25125 9726 1 15 . 1 1 20 20 GLU H H 20 8.387 8.387 8.018 0.369 25125 9727 1 15 . 1 1 21 21 ARG N N 21 116.076 116.076 118.575 -2.499 25125 9728 1 15 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.905 -0.012 25125 9729 1 15 . 1 1 21 21 ARG C C 21 179.676 179.676 178.304 1.372 25125 9730 1 15 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.823 -0.374 25125 9731 1 15 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.242 0.611 25125 9732 1 15 . 1 1 21 21 ARG H H 21 7.602 7.602 8.232 -0.630 25125 9733 1 15 . 1 1 22 22 ALA N N 22 122.405 122.405 122.150 0.255 25125 9734 1 15 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.054 0.043 25125 9735 1 15 . 1 1 22 22 ALA C C 22 180.501 180.501 179.779 0.722 25125 9736 1 15 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.481 0.097 25125 9737 1 15 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.138 1.094 25125 9738 1 15 . 1 1 22 22 ALA H H 22 7.992 7.992 7.513 0.479 25125 9739 1 15 . 1 1 23 23 LEU N N 23 118.026 118.026 118.194 -0.168 25125 9740 1 15 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.267 -0.266 25125 9741 1 15 . 1 1 23 23 LEU C C 23 178.878 178.878 178.720 0.158 25125 9742 1 15 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.721 2.001 25125 9743 1 15 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.864 -2.209 25125 9744 1 15 . 1 1 23 23 LEU H H 23 8.825 8.825 7.565 1.260 25125 9745 1 15 . 1 1 24 24 ALA N N 24 122.159 122.159 121.936 0.223 25125 9746 1 15 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.058 0.575 25125 9747 1 15 . 1 1 24 24 ALA C C 24 183.141 183.141 178.586 4.555 25125 9748 1 15 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.429 0.318 25125 9749 1 15 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.609 -0.907 25125 9750 1 15 . 1 1 24 24 ALA H H 24 8.125 8.125 8.084 0.041 25125 9751 1 15 . 1 1 25 25 GLY N N 25 106.891 106.891 105.436 1.455 25125 9752 1 15 . 1 1 25 25 GLY C C 25 174.286 174.286 174.339 -0.053 25125 9753 1 15 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.026 1.395 25125 9754 1 15 . 1 1 25 25 GLY H H 25 7.870 7.870 7.938 -0.068 25125 9755 1 15 . 1 1 26 26 ALA N N 26 121.819 121.819 122.730 -0.911 25125 9756 1 15 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.571 -0.072 25125 9757 1 15 . 1 1 26 26 ALA C C 26 176.953 176.953 177.969 -1.016 25125 9758 1 15 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.259 0.260 25125 9759 1 15 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.733 -1.011 25125 9760 1 15 . 1 1 26 26 ALA H H 26 7.285 7.285 7.264 0.021 25125 9761 1 15 . 1 1 27 27 GLY N N 27 106.197 106.197 106.776 -0.579 25125 9762 1 15 . 1 1 27 27 GLY C C 27 173.956 173.956 173.129 0.827 25125 9763 1 15 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.563 0.753 25125 9764 1 15 . 1 1 27 27 GLY H H 27 7.824 7.824 8.600 -0.776 25125 9765 1 15 . 1 1 28 28 LEU N N 28 120.291 120.291 117.575 2.716 25125 9766 1 15 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.741 -0.166 25125 9767 1 15 . 1 1 28 28 LEU C C 28 175.881 175.881 176.385 -0.504 25125 9768 1 15 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.122 0.521 25125 9769 1 15 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.876 -2.390 25125 9770 1 15 . 1 1 28 28 LEU H H 28 7.678 7.678 7.090 0.588 25125 9771 1 15 . 1 1 29 29 THR N N 29 118.040 118.040 117.108 0.932 25125 9772 1 15 . 1 1 29 29 THR HA H 29 4.335 4.335 4.336 -0.001 25125 9773 1 15 . 1 1 29 29 THR C C 29 173.186 173.186 174.164 -0.978 25125 9774 1 15 . 1 1 29 29 THR CA C 29 62.479 62.479 63.546 -1.067 25125 9775 1 15 . 1 1 29 29 THR CB C 29 69.465 69.465 69.732 -0.267 25125 9776 1 15 . 1 1 29 29 THR H H 29 8.527 8.527 8.528 -0.001 25125 9777 1 15 . 1 1 30 30 CYS N N 30 128.387 128.387 120.995 7.392 25125 9778 1 15 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.470 0.473 25125 9779 1 15 . 1 1 30 30 CYS C C 30 173.846 173.846 174.120 -0.274 25125 9780 1 15 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.571 -0.209 25125 9781 1 15 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.173 0.307 25125 9782 1 15 . 1 1 30 30 CYS H H 30 8.968 8.968 8.541 0.427 25125 9783 1 15 . 1 1 31 31 THR N N 31 126.481 126.481 123.191 3.290 25125 9784 1 15 . 1 1 31 31 THR HA H 31 4.433 4.433 4.353 0.080 25125 9785 1 15 . 1 1 31 31 THR C C 31 172.609 172.609 173.803 -1.194 25125 9786 1 15 . 1 1 31 31 THR CA C 31 61.951 61.951 62.119 -0.168 25125 9787 1 15 . 1 1 31 31 THR CB C 31 70.567 70.567 69.192 1.375 25125 9788 1 15 . 1 1 31 31 THR H H 31 8.614 8.614 8.325 0.289 25125 9789 1 15 . 1 1 32 32 THR N N 32 116.418 116.418 118.066 -1.648 25125 9790 1 15 . 1 1 32 32 THR HA H 32 5.330 5.330 5.218 0.112 25125 9791 1 15 . 1 1 32 32 THR C C 32 172.306 172.306 173.304 -0.998 25125 9792 1 15 . 1 1 32 32 THR CA C 32 59.173 59.173 59.941 -0.769 25125 9793 1 15 . 1 1 32 32 THR CB C 32 70.917 70.917 70.087 0.830 25125 9794 1 15 . 1 1 32 32 THR H H 32 8.299 8.299 8.207 0.092 25125 9795 1 15 . 1 1 33 33 PHE N N 33 118.067 118.067 124.779 -6.712 25125 9796 1 15 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.843 -0.200 25125 9797 1 15 . 1 1 33 33 PHE C C 33 174.341 174.341 176.063 -1.722 25125 9798 1 15 . 1 1 33 33 PHE CA C 33 56.532 56.532 55.966 0.566 25125 9799 1 15 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.063 1.246 25125 9800 1 15 . 1 1 33 33 PHE H H 33 8.890 8.890 8.936 -0.046 25125 9801 1 15 . 1 1 34 34 GLU N N 34 118.499 118.499 117.057 1.442 25125 9802 1 15 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.734 -0.380 25125 9803 1 15 . 1 1 34 34 GLU C C 34 175.414 175.414 175.655 -0.241 25125 9804 1 15 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.385 0.307 25125 9805 1 15 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.379 0.088 25125 9806 1 15 . 1 1 34 34 GLU H H 34 9.023 9.023 8.753 0.270 25125 9807 1 15 . 1 1 35 35 ASN N N 35 109.907 109.907 118.401 -8.494 25125 9808 1 15 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.978 -0.197 25125 9809 1 15 . 1 1 35 35 ASN C C 35 175.139 175.139 176.334 -1.195 25125 9810 1 15 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.215 -0.069 25125 9811 1 15 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.148 1.175 25125 9812 1 15 . 1 1 35 35 ASN H H 35 7.401 7.401 7.896 -0.495 25125 9813 1 15 . 1 1 36 36 GLY N N 36 106.739 106.739 112.595 -5.856 25125 9814 1 15 . 1 1 36 36 GLY C C 36 174.616 174.616 175.485 -0.869 25125 9815 1 15 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.306 -0.290 25125 9816 1 15 . 1 1 36 36 GLY H H 36 8.877 8.877 9.016 -0.139 25125 9817 1 15 . 1 1 37 37 ASN N N 37 120.462 120.462 118.304 2.158 25125 9818 1 15 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.453 -0.091 25125 9819 1 15 . 1 1 37 37 ASN C C 37 178.686 178.686 177.336 1.350 25125 9820 1 15 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.971 0.561 25125 9821 1 15 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.481 -0.897 25125 9822 1 15 . 1 1 37 37 ASN H H 37 8.366 8.366 8.682 -0.316 25125 9823 1 15 . 1 1 38 38 GLU N N 38 119.360 119.360 117.307 2.053 25125 9824 1 15 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.244 -0.174 25125 9825 1 15 . 1 1 38 38 GLU C C 38 179.263 179.263 177.603 1.660 25125 9826 1 15 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.355 1.277 25125 9827 1 15 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.504 1.028 25125 9828 1 15 . 1 1 38 38 GLU H H 38 7.990 7.990 8.147 -0.157 25125 9829 1 15 . 1 1 39 39 VAL N N 39 119.259 119.259 119.662 -0.403 25125 9830 1 15 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.260 -0.492 25125 9831 1 15 . 1 1 39 39 VAL C C 39 176.431 176.431 177.749 -1.318 25125 9832 1 15 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.392 1.551 25125 9833 1 15 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.264 -0.189 25125 9834 1 15 . 1 1 39 39 VAL H H 39 6.883 6.883 7.751 -0.868 25125 9835 1 15 . 1 1 40 40 LEU N N 40 119.627 119.627 121.395 -1.768 25125 9836 1 15 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.004 -0.077 25125 9837 1 15 . 1 1 40 40 LEU C C 40 179.538 179.538 178.132 1.406 25125 9838 1 15 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.273 -0.333 25125 9839 1 15 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.278 -0.210 25125 9840 1 15 . 1 1 40 40 LEU H H 40 7.692 7.692 8.156 -0.464 25125 9841 1 15 . 1 1 41 41 ALA N N 41 120.051 120.051 119.939 0.112 25125 9842 1 15 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.146 -0.006 25125 9843 1 15 . 1 1 41 41 ALA C C 41 180.528 180.528 179.594 0.934 25125 9844 1 15 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.437 0.213 25125 9845 1 15 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.912 -0.046 25125 9846 1 15 . 1 1 41 41 ALA H H 41 7.553 7.553 8.010 -0.457 25125 9847 1 15 . 1 1 42 42 ALA N N 42 122.731 122.731 122.660 0.071 25125 9848 1 15 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.104 0.095 25125 9849 1 15 . 1 1 42 42 ALA C C 42 180.198 180.198 180.301 -0.103 25125 9850 1 15 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.519 0.513 25125 9851 1 15 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.132 1.267 25125 9852 1 15 . 1 1 42 42 ALA H H 42 7.604 7.604 7.219 0.385 25125 9853 1 15 . 1 1 43 43 LEU N N 43 119.131 119.131 118.403 0.728 25125 9854 1 15 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.029 1.177 25125 9855 1 15 . 1 1 43 43 LEU C C 43 177.421 177.421 178.846 -1.425 25125 9856 1 15 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.534 -1.989 25125 9857 1 15 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.089 1.515 25125 9858 1 15 . 1 1 43 43 LEU H H 43 8.288 8.288 8.017 0.271 25125 9859 1 15 . 1 1 44 44 ALA N N 44 119.065 119.065 117.950 1.115 25125 9860 1 15 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.183 0.046 25125 9861 1 15 . 1 1 44 44 ALA C C 44 178.686 178.686 178.585 0.101 25125 9862 1 15 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.765 0.473 25125 9863 1 15 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.503 0.013 25125 9864 1 15 . 1 1 44 44 ALA H H 44 7.302 7.302 7.683 -0.381 25125 9865 1 15 . 1 1 45 45 SER N N 45 108.656 108.656 114.875 -6.219 25125 9866 1 15 . 1 1 45 45 SER HA H 45 4.742 4.742 4.386 0.356 25125 9867 1 15 . 1 1 45 45 SER C C 45 173.296 173.296 176.062 -2.766 25125 9868 1 15 . 1 1 45 45 SER CA C 45 58.656 58.656 60.889 -2.233 25125 9869 1 15 . 1 1 45 45 SER CB C 45 65.407 65.407 63.772 1.635 25125 9870 1 15 . 1 1 45 45 SER H H 45 7.728 7.728 8.090 -0.362 25125 9871 1 15 . 1 1 46 46 LYS N N 46 123.016 123.016 116.888 6.128 25125 9872 1 15 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.627 -0.041 25125 9873 1 15 . 1 1 46 46 LYS C C 46 172.719 172.719 175.500 -2.781 25125 9874 1 15 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.219 -0.707 25125 9875 1 15 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.100 2.125 25125 9876 1 15 . 1 1 46 46 LYS H H 46 8.101 8.101 7.929 0.172 25125 9877 1 15 . 1 1 47 47 THR N N 47 111.780 111.780 113.149 -1.369 25125 9878 1 15 . 1 1 47 47 THR HA H 47 4.282 4.282 3.930 0.352 25125 9879 1 15 . 1 1 47 47 THR CA C 47 57.806 57.806 62.064 -4.258 25125 9880 1 15 . 1 1 47 47 THR CB C 47 70.594 70.594 67.529 3.065 25125 9881 1 15 . 1 1 47 47 THR H H 47 7.677 7.677 7.807 -0.130 25125 9882 1 15 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.026 -0.121 25125 9883 1 15 . 1 1 48 48 PRO C C 48 172.966 172.966 175.833 -2.867 25125 9884 1 15 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.149 -1.284 25125 9885 1 15 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.721 -1.444 25125 9886 1 15 . 1 1 49 49 ASP N N 49 115.035 115.035 117.330 -2.295 25125 9887 1 15 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.847 -0.403 25125 9888 1 15 . 1 1 49 49 ASP C C 49 175.634 175.634 175.489 0.145 25125 9889 1 15 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.953 1.494 25125 9890 1 15 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.271 -0.759 25125 9891 1 15 . 1 1 49 49 ASP H H 49 8.502 8.502 7.967 0.535 25125 9892 1 15 . 1 1 50 50 VAL N N 50 112.082 112.082 116.591 -4.509 25125 9893 1 15 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.593 -0.313 25125 9894 1 15 . 1 1 50 50 VAL C C 50 171.454 171.454 172.919 -1.465 25125 9895 1 15 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.463 -0.901 25125 9896 1 15 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.884 0.752 25125 9897 1 15 . 1 1 50 50 VAL H H 50 7.173 7.173 7.141 0.032 25125 9898 1 15 . 1 1 51 51 LEU N N 51 128.247 128.247 127.524 0.723 25125 9899 1 15 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.311 0.008 25125 9900 1 15 . 1 1 51 51 LEU C C 51 173.104 173.104 175.074 -1.970 25125 9901 1 15 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.877 0.341 25125 9902 1 15 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.388 0.118 25125 9903 1 15 . 1 1 51 51 LEU H H 51 8.059 8.059 7.975 0.084 25125 9904 1 15 . 1 1 52 52 LEU N N 52 128.407 128.407 122.145 6.262 25125 9905 1 15 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.168 0.333 25125 9906 1 15 . 1 1 52 52 LEU C C 52 175.414 175.414 176.476 -1.062 25125 9907 1 15 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.673 0.650 25125 9908 1 15 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.458 3.063 25125 9909 1 15 . 1 1 52 52 LEU H H 52 9.242 9.242 8.292 0.950 25125 9910 1 15 . 1 1 53 53 SER N N 53 114.946 114.946 118.100 -3.154 25125 9911 1 15 . 1 1 53 53 SER HA H 53 5.595 5.595 4.227 1.368 25125 9912 1 15 . 1 1 53 53 SER C C 53 174.644 174.644 173.239 1.405 25125 9913 1 15 . 1 1 53 53 SER CA C 53 55.954 55.954 60.262 -4.308 25125 9914 1 15 . 1 1 53 53 SER CB C 53 66.473 66.473 64.133 2.340 25125 9915 1 15 . 1 1 53 53 SER H H 53 8.695 8.695 8.075 0.620 25125 9916 1 15 . 1 1 54 54 ASP N N 54 128.341 128.341 126.940 1.401 25125 9917 1 15 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.239 0.086 25125 9918 1 15 . 1 1 54 54 ASP C C 54 176.816 176.816 175.704 1.112 25125 9919 1 15 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.724 1.769 25125 9920 1 15 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.290 -0.962 25125 9921 1 15 . 1 1 54 54 ASP H H 54 7.886 7.886 8.018 -0.132 25125 9922 1 15 . 1 1 55 55 ILE N N 55 121.229 121.229 125.637 -4.408 25125 9923 1 15 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.983 0.202 25125 9924 1 15 . 1 1 55 55 ILE C C 55 175.084 175.084 174.399 0.685 25125 9925 1 15 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.984 -0.442 25125 9926 1 15 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.152 1.877 25125 9927 1 15 . 1 1 55 55 ILE H H 55 8.722 8.722 8.412 0.310 25125 9928 1 15 . 1 1 56 56 ARG N N 56 124.188 124.188 122.734 1.454 25125 9929 1 15 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.457 0.048 25125 9930 1 15 . 1 1 56 56 ARG C C 56 175.661 175.661 174.370 1.291 25125 9931 1 15 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.039 -0.598 25125 9932 1 15 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.984 0.378 25125 9933 1 15 . 1 1 56 56 ARG H H 56 8.499 8.499 8.235 0.264 25125 9934 1 15 . 1 1 57 57 MET N N 57 122.581 122.581 117.414 5.167 25125 9935 1 15 . 1 1 57 57 MET HA H 57 4.821 4.821 5.008 -0.187 25125 9936 1 15 . 1 1 57 57 MET CA C 57 53.132 53.132 53.085 0.047 25125 9937 1 15 . 1 1 57 57 MET CB C 57 33.445 33.445 32.984 0.461 25125 9938 1 15 . 1 1 57 57 MET H H 57 7.956 7.956 7.705 0.251 25125 9939 1 15 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.490 -0.097 25125 9940 1 15 . 1 1 58 58 PRO C C 58 177.806 177.806 178.033 -0.227 25125 9941 1 15 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.090 0.409 25125 9942 1 15 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.310 -0.503 25125 9943 1 15 . 1 1 59 59 GLY N N 59 111.082 111.082 107.986 3.096 25125 9944 1 15 . 1 1 59 59 GLY C C 59 173.626 173.626 175.014 -1.388 25125 9945 1 15 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.880 -0.290 25125 9946 1 15 . 1 1 59 59 GLY H H 59 8.653 8.653 8.388 0.265 25125 9947 1 15 . 1 1 60 60 MET N N 60 120.052 120.052 121.320 -1.268 25125 9948 1 15 . 1 1 60 60 MET HA H 60 4.525 4.525 4.336 0.189 25125 9949 1 15 . 1 1 60 60 MET C C 60 173.956 173.956 175.039 -1.083 25125 9950 1 15 . 1 1 60 60 MET CA C 60 55.047 55.047 56.267 -1.220 25125 9951 1 15 . 1 1 60 60 MET CB C 60 34.506 34.506 33.396 1.110 25125 9952 1 15 . 1 1 60 60 MET H H 60 7.968 7.968 8.201 -0.233 25125 9953 1 15 . 1 1 61 61 ASP N N 61 121.306 121.306 116.653 4.653 25125 9954 1 15 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.859 -0.155 25125 9955 1 15 . 1 1 61 61 ASP C C 61 176.761 176.761 176.986 -0.225 25125 9956 1 15 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.872 -0.143 25125 9957 1 15 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.905 -0.836 25125 9958 1 15 . 1 1 61 61 ASP H H 61 8.379 8.379 8.420 -0.041 25125 9959 1 15 . 1 1 62 62 GLY N N 62 110.874 110.874 109.397 1.477 25125 9960 1 15 . 1 1 62 62 GLY C C 62 175.194 175.194 175.826 -0.632 25125 9961 1 15 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.815 0.286 25125 9962 1 15 . 1 1 62 62 GLY H H 62 8.707 8.707 8.462 0.245 25125 9963 1 15 . 1 1 63 63 LEU N N 63 121.299 121.299 119.426 1.873 25125 9964 1 15 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.513 -0.336 25125 9965 1 15 . 1 1 63 63 LEU C C 63 178.356 178.356 178.259 0.097 25125 9966 1 15 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.470 1.408 25125 9967 1 15 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.455 0.783 25125 9968 1 15 . 1 1 63 63 LEU H H 63 8.045 8.045 7.812 0.233 25125 9969 1 15 . 1 1 64 64 ALA N N 64 122.741 122.741 123.225 -0.484 25125 9970 1 15 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.103 -0.041 25125 9971 1 15 . 1 1 64 64 ALA C C 64 180.556 180.556 179.276 1.280 25125 9972 1 15 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.130 -0.515 25125 9973 1 15 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.682 0.318 25125 9974 1 15 . 1 1 64 64 ALA H H 64 7.859 7.859 8.280 -0.421 25125 9975 1 15 . 1 1 65 65 LEU N N 65 120.287 120.287 115.400 4.887 25125 9976 1 15 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.364 -0.302 25125 9977 1 15 . 1 1 65 65 LEU C C 65 178.191 178.191 178.487 -0.296 25125 9978 1 15 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.729 1.290 25125 9979 1 15 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.055 -0.817 25125 9980 1 15 . 1 1 65 65 LEU H H 65 8.022 8.022 7.728 0.294 25125 9981 1 15 . 1 1 66 66 LEU N N 66 118.738 118.738 120.904 -2.166 25125 9982 1 15 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.140 -0.282 25125 9983 1 15 . 1 1 66 66 LEU C C 66 178.631 178.631 178.745 -0.114 25125 9984 1 15 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.064 1.282 25125 9985 1 15 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.109 0.129 25125 9986 1 15 . 1 1 66 66 LEU H H 66 8.101 8.101 7.735 0.366 25125 9987 1 15 . 1 1 67 67 LYS N N 67 117.842 117.842 116.632 1.210 25125 9988 1 15 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.039 -0.057 25125 9989 1 15 . 1 1 67 67 LYS C C 67 179.263 179.263 178.844 0.419 25125 9990 1 15 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.686 1.111 25125 9991 1 15 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.879 0.328 25125 9992 1 15 . 1 1 67 67 LYS H H 67 8.010 8.010 8.565 -0.555 25125 9993 1 15 . 1 1 68 68 GLN N N 68 118.875 118.875 117.662 1.213 25125 9994 1 15 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.296 -0.240 25125 9995 1 15 . 1 1 68 68 GLN C C 68 179.071 179.071 177.508 1.563 25125 9996 1 15 . 1 1 68 68 GLN CA C 68 59.073 59.073 57.868 1.205 25125 9997 1 15 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.207 0.404 25125 9998 1 15 . 1 1 68 68 GLN H H 68 7.809 7.809 7.578 0.231 25125 9999 1 15 . 1 1 69 69 ILE N N 69 120.377 120.377 121.137 -0.760 25125 10000 1 15 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.945 -0.415 25125 10001 1 15 . 1 1 69 69 ILE C C 69 177.421 177.421 178.164 -0.743 25125 10002 1 15 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.600 1.278 25125 10003 1 15 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.516 0.068 25125 10004 1 15 . 1 1 69 69 ILE H H 69 8.481 8.481 7.967 0.514 25125 10005 1 15 . 1 1 70 70 LYS N N 70 117.873 117.873 117.653 0.220 25125 10006 1 15 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.204 -0.244 25125 10007 1 15 . 1 1 70 70 LYS C C 70 178.053 178.053 177.716 0.337 25125 10008 1 15 . 1 1 70 70 LYS CA C 70 57.088 57.088 57.949 -0.861 25125 10009 1 15 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.927 -0.715 25125 10010 1 15 . 1 1 70 70 LYS H H 70 8.220 8.220 7.723 0.497 25125 10011 1 15 . 1 1 71 71 GLN N N 71 116.315 116.315 117.306 -0.991 25125 10012 1 15 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.249 -0.257 25125 10013 1 15 . 1 1 71 71 GLN C C 71 177.366 177.366 177.715 -0.349 25125 10014 1 15 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.621 0.569 25125 10015 1 15 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.251 -0.586 25125 10016 1 15 . 1 1 71 71 GLN H H 71 7.601 7.601 7.401 0.200 25125 10017 1 15 . 1 1 72 72 ARG N N 72 116.530 116.530 118.072 -1.542 25125 10018 1 15 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.147 -0.117 25125 10019 1 15 . 1 1 72 72 ARG C C 72 175.826 175.826 175.766 0.060 25125 10020 1 15 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.128 0.094 25125 10021 1 15 . 1 1 72 72 ARG CB C 72 31.802 31.802 32.008 -0.206 25125 10022 1 15 . 1 1 72 72 ARG H H 72 7.301 7.301 8.247 -0.946 25125 10023 1 15 . 1 1 73 73 HIS N N 73 116.755 116.755 116.811 -0.056 25125 10024 1 15 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.878 0.082 25125 10025 1 15 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.099 0.119 25125 10026 1 15 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.381 0.181 25125 10027 1 15 . 1 1 73 73 HIS H H 73 8.331 8.331 7.903 0.428 25125 10028 1 15 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.505 -0.006 25125 10029 1 15 . 1 1 74 74 PRO C C 74 178.466 178.466 177.638 0.828 25125 10030 1 15 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.907 0.206 25125 10031 1 15 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.239 -0.144 25125 10032 1 15 . 1 1 75 75 MET N N 75 114.814 114.814 113.756 1.058 25125 10033 1 15 . 1 1 75 75 MET HA H 75 4.567 4.567 4.443 0.124 25125 10034 1 15 . 1 1 75 75 MET C C 75 176.046 176.046 175.566 0.480 25125 10035 1 15 . 1 1 75 75 MET CA C 75 54.266 54.266 56.127 -1.861 25125 10036 1 15 . 1 1 75 75 MET CB C 75 31.288 31.288 31.700 -0.412 25125 10037 1 15 . 1 1 75 75 MET H H 75 8.623 8.623 7.783 0.840 25125 10038 1 15 . 1 1 76 76 LEU N N 76 125.533 125.533 123.848 1.685 25125 10039 1 15 . 1 1 76 76 LEU HA H 76 4.305 4.305 5.020 -0.715 25125 10040 1 15 . 1 1 76 76 LEU CA C 76 53.112 53.112 50.929 2.183 25125 10041 1 15 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.366 -0.681 25125 10042 1 15 . 1 1 76 76 LEU H H 76 7.337 7.337 7.092 0.245 25125 10043 1 15 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.401 0.045 25125 10044 1 15 . 1 1 77 77 PRO C C 77 174.974 174.974 175.128 -0.154 25125 10045 1 15 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.612 0.215 25125 10046 1 15 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.289 -0.567 25125 10047 1 15 . 1 1 78 78 VAL N N 78 123.779 123.779 119.992 3.787 25125 10048 1 15 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.762 0.262 25125 10049 1 15 . 1 1 78 78 VAL C C 78 175.441 175.441 175.211 0.230 25125 10050 1 15 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.026 -0.833 25125 10051 1 15 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.364 -2.070 25125 10052 1 15 . 1 1 78 78 VAL H H 78 8.317 8.317 8.232 0.085 25125 10053 1 15 . 1 1 79 79 ILE N N 79 128.334 128.334 121.377 6.957 25125 10054 1 15 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.806 -0.325 25125 10055 1 15 . 1 1 79 79 ILE C C 79 174.479 174.479 174.790 -0.311 25125 10056 1 15 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.186 -0.664 25125 10057 1 15 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.248 -2.285 25125 10058 1 15 . 1 1 79 79 ILE H H 79 9.292 9.292 8.772 0.520 25125 10059 1 15 . 1 1 80 80 ILE N N 80 127.023 127.023 126.740 0.283 25125 10060 1 15 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.378 0.481 25125 10061 1 15 . 1 1 80 80 ILE C C 80 175.029 175.029 175.144 -0.115 25125 10062 1 15 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.120 -1.963 25125 10063 1 15 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.089 -1.145 25125 10064 1 15 . 1 1 80 80 ILE H H 80 7.938 7.938 8.905 -0.967 25125 10065 1 15 . 1 1 81 81 MET N N 81 127.255 127.255 125.237 2.018 25125 10066 1 15 . 1 1 81 81 MET HA H 81 5.521 5.521 5.452 0.069 25125 10067 1 15 . 1 1 81 81 MET C C 81 174.534 174.534 175.390 -0.856 25125 10068 1 15 . 1 1 81 81 MET CA C 81 53.513 53.513 54.808 -1.295 25125 10069 1 15 . 1 1 81 81 MET CB C 81 35.483 35.483 35.902 -0.419 25125 10070 1 15 . 1 1 81 81 MET H H 81 8.801 8.801 8.643 0.158 25125 10071 1 15 . 1 1 82 82 THR N N 82 112.857 112.857 117.690 -4.833 25125 10072 1 15 . 1 1 82 82 THR HA H 82 4.914 4.914 4.426 0.488 25125 10073 1 15 . 1 1 82 82 THR C C 82 172.581 172.581 173.328 -0.747 25125 10074 1 15 . 1 1 82 82 THR CA C 82 59.561 59.561 62.752 -3.191 25125 10075 1 15 . 1 1 82 82 THR CB C 82 69.989 69.989 69.833 0.156 25125 10076 1 15 . 1 1 82 82 THR H H 82 7.623 7.623 8.387 -0.764 25125 10077 1 15 . 1 1 83 83 ALA N N 83 129.541 129.541 124.036 5.505 25125 10078 1 15 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.930 0.778 25125 10079 1 15 . 1 1 83 83 ALA CA C 83 52.538 52.538 52.955 -0.417 25125 10080 1 15 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.652 1.495 25125 10081 1 15 . 1 1 83 83 ALA H H 83 9.149 9.149 8.009 1.140 25125 10082 1 15 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.208 0.064 25125 10083 1 15 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.318 3.382 25125 10084 1 15 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.356 1.662 25125 10085 1 15 . 1 1 85 85 SER N N 85 112.633 112.633 117.449 -4.816 25125 10086 1 15 . 1 1 85 85 SER HA H 85 4.198 4.198 4.103 0.095 25125 10087 1 15 . 1 1 85 85 SER C C 85 174.506 174.506 173.673 0.833 25125 10088 1 15 . 1 1 85 85 SER CA C 85 59.823 59.823 60.620 -0.797 25125 10089 1 15 . 1 1 85 85 SER CB C 85 62.693 62.693 62.741 -0.048 25125 10090 1 15 . 1 1 85 85 SER H H 85 8.224 8.224 8.685 -0.461 25125 10091 1 15 . 1 1 86 86 ASP N N 86 120.886 120.886 124.526 -3.640 25125 10092 1 15 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.380 0.556 25125 10093 1 15 . 1 1 86 86 ASP C C 86 175.881 175.881 176.911 -1.030 25125 10094 1 15 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.305 -1.371 25125 10095 1 15 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.710 1.293 25125 10096 1 15 . 1 1 86 86 ASP H H 86 7.608 7.608 8.265 -0.657 25125 10097 1 15 . 1 1 87 87 LEU N N 87 121.913 121.913 121.494 0.419 25125 10098 1 15 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.770 0.149 25125 10099 1 15 . 1 1 87 87 LEU C C 87 177.586 177.586 177.598 -0.012 25125 10100 1 15 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.105 -0.268 25125 10101 1 15 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.813 0.502 25125 10102 1 15 . 1 1 87 87 LEU H H 87 7.498 7.498 7.613 -0.115 25125 10103 1 15 . 1 1 88 88 ASP N N 88 117.621 117.621 117.707 -0.086 25125 10104 1 15 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.202 0.070 25125 10105 1 15 . 1 1 88 88 ASP C C 88 178.246 178.246 177.535 0.711 25125 10106 1 15 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.401 -0.591 25125 10107 1 15 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.803 -0.669 25125 10108 1 15 . 1 1 88 88 ASP H H 88 8.322 8.322 8.602 -0.280 25125 10109 1 15 . 1 1 89 89 ALA N N 89 122.874 122.874 120.971 1.903 25125 10110 1 15 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.255 -0.161 25125 10111 1 15 . 1 1 89 89 ALA C C 89 179.346 179.346 179.335 0.011 25125 10112 1 15 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.467 -0.314 25125 10113 1 15 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.653 -0.392 25125 10114 1 15 . 1 1 89 89 ALA H H 89 7.838 7.838 7.243 0.595 25125 10115 1 15 . 1 1 90 90 ALA N N 90 121.673 121.673 121.090 0.583 25125 10116 1 15 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.263 -0.330 25125 10117 1 15 . 1 1 90 90 ALA C C 90 178.686 178.686 179.659 -0.973 25125 10118 1 15 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.579 0.084 25125 10119 1 15 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.185 0.197 25125 10120 1 15 . 1 1 90 90 ALA H H 90 7.896 7.896 7.422 0.474 25125 10121 1 15 . 1 1 91 91 VAL N N 91 117.749 117.749 119.023 -1.274 25125 10122 1 15 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.990 -0.378 25125 10123 1 15 . 1 1 91 91 VAL C C 91 178.411 178.411 178.308 0.103 25125 10124 1 15 . 1 1 91 91 VAL CA C 91 65.181 65.181 65.939 -0.758 25125 10125 1 15 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.559 0.078 25125 10126 1 15 . 1 1 91 91 VAL H H 91 8.098 8.098 8.521 -0.423 25125 10127 1 15 . 1 1 92 92 SER N N 92 114.942 114.942 113.246 1.696 25125 10128 1 15 . 1 1 92 92 SER HA H 92 4.231 4.231 4.419 -0.188 25125 10129 1 15 . 1 1 92 92 SER C C 92 175.826 175.826 174.946 0.880 25125 10130 1 15 . 1 1 92 92 SER CA C 92 60.649 60.649 59.796 0.853 25125 10131 1 15 . 1 1 92 92 SER CB C 92 63.063 63.063 63.621 -0.558 25125 10132 1 15 . 1 1 92 92 SER H H 92 7.825 7.825 8.019 -0.194 25125 10133 1 15 . 1 1 93 93 ALA N N 93 122.580 122.580 123.317 -0.737 25125 10134 1 15 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.399 -0.342 25125 10135 1 15 . 1 1 93 93 ALA C C 93 178.906 178.906 179.445 -0.539 25125 10136 1 15 . 1 1 93 93 ALA CA C 93 54.317 54.317 53.803 0.514 25125 10137 1 15 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.869 -0.572 25125 10138 1 15 . 1 1 93 93 ALA H H 93 7.861 7.861 7.697 0.164 25125 10139 1 15 . 1 1 94 94 TYR N N 94 118.447 118.447 121.741 -3.294 25125 10140 1 15 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.189 0.303 25125 10141 1 15 . 1 1 94 94 TYR C C 94 177.393 177.393 177.243 0.150 25125 10142 1 15 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.687 -1.436 25125 10143 1 15 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.575 -0.141 25125 10144 1 15 . 1 1 94 94 TYR H H 94 8.150 8.150 8.105 0.045 25125 10145 1 15 . 1 1 95 95 GLN N N 95 119.787 119.787 116.326 3.461 25125 10146 1 15 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.998 0.045 25125 10147 1 15 . 1 1 95 95 GLN C C 95 176.981 176.981 178.091 -1.110 25125 10148 1 15 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.950 0.516 25125 10149 1 15 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.560 0.529 25125 10150 1 15 . 1 1 95 95 GLN H H 95 8.271 8.271 7.883 0.388 25125 10151 1 15 . 1 1 96 96 GLN N N 96 117.878 117.878 119.842 -1.964 25125 10152 1 15 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.248 0.097 25125 10153 1 15 . 1 1 96 96 GLN C C 96 175.854 175.854 176.093 -0.239 25125 10154 1 15 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.678 0.493 25125 10155 1 15 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.117 1.358 25125 10156 1 15 . 1 1 96 96 GLN H H 96 7.944 7.944 7.968 -0.024 25125 10157 1 15 . 1 1 97 97 GLY N N 97 106.670 106.670 105.521 1.149 25125 10158 1 15 . 1 1 97 97 GLY C C 97 174.231 174.231 172.931 1.300 25125 10159 1 15 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.835 0.651 25125 10160 1 15 . 1 1 97 97 GLY H H 97 7.949 7.949 7.880 0.069 25125 10161 1 15 . 1 1 98 98 ALA N N 98 122.898 122.898 121.526 1.372 25125 10162 1 15 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.526 -0.151 25125 10163 1 15 . 1 1 98 98 ALA C C 98 175.991 175.991 175.210 0.781 25125 10164 1 15 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.897 2.272 25125 10165 1 15 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.545 -1.576 25125 10166 1 15 . 1 1 98 98 ALA H H 98 7.808 7.808 7.128 0.680 25125 10167 1 15 . 1 1 99 99 PHE N N 99 123.484 123.484 118.611 4.873 25125 10168 1 15 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.486 -0.136 25125 10169 1 15 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.029 2.427 25125 10170 1 15 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.573 -1.133 25125 10171 1 15 . 1 1 99 99 PHE H H 99 7.704 7.704 8.098 -0.394 25125 10172 1 15 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.910 0.594 25125 10173 1 15 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.063 -1.581 25125 10174 1 15 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.349 3.851 25125 10175 1 15 . 1 1 101 101 TYR N N 101 118.148 118.148 122.084 -3.936 25125 10176 1 15 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.472 0.976 25125 10177 1 15 . 1 1 101 101 TYR C C 101 173.159 173.159 174.273 -1.114 25125 10178 1 15 . 1 1 101 101 TYR CA C 101 55.987 55.987 57.255 -1.268 25125 10179 1 15 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.037 2.861 25125 10180 1 15 . 1 1 101 101 TYR H H 101 9.546 9.546 7.577 1.969 25125 10181 1 15 . 1 1 102 102 LEU N N 102 124.100 124.100 119.272 4.828 25125 10182 1 15 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.086 -0.366 25125 10183 1 15 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.730 -1.231 25125 10184 1 15 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.862 -0.801 25125 10185 1 15 . 1 1 102 102 LEU H H 102 8.901 8.901 8.947 -0.046 25125 10186 1 15 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.490 0.403 25125 10187 1 15 . 1 1 103 103 PRO C C 103 175.524 175.524 175.602 -0.078 25125 10188 1 15 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.356 -0.471 25125 10189 1 15 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.388 -0.581 25125 10190 1 15 . 1 1 104 104 LYS N N 104 118.848 118.848 121.396 -2.548 25125 10191 1 15 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.839 -0.326 25125 10192 1 15 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.864 -0.646 25125 10193 1 15 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.265 0.479 25125 10194 1 15 . 1 1 104 104 LYS H H 104 8.279 8.279 8.377 -0.098 25125 10195 1 15 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.305 -0.006 25125 10196 1 15 . 1 1 105 105 PRO C C 105 175.001 175.001 175.407 -0.406 25125 10197 1 15 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.682 -0.288 25125 10198 1 15 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.252 1.843 25125 10199 1 15 . 1 1 106 106 PHE N N 106 116.607 116.607 114.220 2.387 25125 10200 1 15 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.736 0.434 25125 10201 1 15 . 1 1 106 106 PHE C C 106 175.221 175.221 174.162 1.059 25125 10202 1 15 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.856 -2.421 25125 10203 1 15 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.128 0.272 25125 10204 1 15 . 1 1 106 106 PHE H H 106 7.457 7.457 7.522 -0.065 25125 10205 1 15 . 1 1 107 107 ASP N N 107 122.214 122.214 122.476 -0.262 25125 10206 1 15 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.125 -0.293 25125 10207 1 15 . 1 1 107 107 ASP C C 107 177.778 177.778 177.076 0.702 25125 10208 1 15 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.689 -0.447 25125 10209 1 15 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.550 1.047 25125 10210 1 15 . 1 1 107 107 ASP H H 107 9.022 9.022 8.727 0.295 25125 10211 1 15 . 1 1 108 108 ILE N N 108 127.706 127.706 125.092 2.614 25125 10212 1 15 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.731 0.234 25125 10213 1 15 . 1 1 108 108 ILE C C 108 176.046 176.046 177.091 -1.045 25125 10214 1 15 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.014 -2.025 25125 10215 1 15 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.128 -0.374 25125 10216 1 15 . 1 1 108 108 ILE H H 108 8.860 8.860 8.935 -0.075 25125 10217 1 15 . 1 1 109 109 ASP N N 109 120.058 120.058 118.982 1.076 25125 10218 1 15 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.350 0.038 25125 10219 1 15 . 1 1 109 109 ASP C C 109 179.786 179.786 179.052 0.734 25125 10220 1 15 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.815 -0.321 25125 10221 1 15 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.066 -0.012 25125 10222 1 15 . 1 1 109 109 ASP H H 109 8.079 8.079 8.605 -0.526 25125 10223 1 15 . 1 1 110 110 GLU N N 110 121.559 121.559 119.686 1.873 25125 10224 1 15 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.179 -0.111 25125 10225 1 15 . 1 1 110 110 GLU C C 110 179.043 179.043 178.490 0.553 25125 10226 1 15 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.503 0.323 25125 10227 1 15 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.969 -0.626 25125 10228 1 15 . 1 1 110 110 GLU H H 110 8.012 8.012 8.020 -0.008 25125 10229 1 15 . 1 1 111 111 ALA N N 111 122.267 122.267 123.510 -1.243 25125 10230 1 15 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.921 -0.167 25125 10231 1 15 . 1 1 111 111 ALA C C 111 178.493 178.493 179.494 -1.001 25125 10232 1 15 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.129 0.043 25125 10233 1 15 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.084 0.298 25125 10234 1 15 . 1 1 111 111 ALA H H 111 7.897 7.897 7.970 -0.073 25125 10235 1 15 . 1 1 112 112 VAL N N 112 116.527 116.527 117.944 -1.417 25125 10236 1 15 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.513 -0.346 25125 10237 1 15 . 1 1 112 112 VAL C C 112 177.201 177.201 177.765 -0.564 25125 10238 1 15 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.520 0.625 25125 10239 1 15 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.611 -0.059 25125 10240 1 15 . 1 1 112 112 VAL H H 112 8.018 8.018 8.337 -0.319 25125 10241 1 15 . 1 1 113 113 ALA N N 113 119.895 119.895 121.219 -1.324 25125 10242 1 15 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.220 -0.082 25125 10243 1 15 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.432 0.400 25125 10244 1 15 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.566 -0.694 25125 10245 1 15 . 1 1 113 113 ALA H H 113 7.673 7.673 7.315 0.358 25125 10246 1 15 . 1 1 114 114 LEU N N 114 120.650 120.650 120.894 -0.244 25125 10247 1 15 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.111 -0.028 25125 10248 1 15 . 1 1 114 114 LEU C C 114 178.466 178.466 178.339 0.127 25125 10249 1 15 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.665 0.355 25125 10250 1 15 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.050 -0.217 25125 10251 1 15 . 1 1 114 114 LEU H H 114 7.840 7.840 7.704 0.136 25125 10252 1 15 . 1 1 115 115 VAL N N 115 119.480 119.480 118.405 1.075 25125 10253 1 15 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.444 -0.232 25125 10254 1 15 . 1 1 115 115 VAL C C 115 177.448 177.448 177.128 0.320 25125 10255 1 15 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.081 1.120 25125 10256 1 15 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.534 -0.862 25125 10257 1 15 . 1 1 115 115 VAL H H 115 7.824 7.824 8.128 -0.304 25125 10258 1 15 . 1 1 116 116 GLU N N 116 117.473 117.473 118.462 -0.989 25125 10259 1 15 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.908 -0.119 25125 10260 1 15 . 1 1 116 116 GLU C C 116 179.566 179.566 178.604 0.962 25125 10261 1 15 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.969 -0.039 25125 10262 1 15 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.164 -0.068 25125 10263 1 15 . 1 1 116 116 GLU H H 116 8.465 8.465 7.787 0.678 25125 10264 1 15 . 1 1 117 117 ARG N N 117 120.128 120.128 119.313 0.815 25125 10265 1 15 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.072 -0.008 25125 10266 1 15 . 1 1 117 117 ARG C C 117 178.438 178.438 178.085 0.353 25125 10267 1 15 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.972 0.306 25125 10268 1 15 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.972 0.305 25125 10269 1 15 . 1 1 117 117 ARG H H 117 8.012 8.012 7.538 0.474 25125 10270 1 15 . 1 1 118 118 ALA N N 118 122.270 122.270 120.959 1.311 25125 10271 1 15 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.876 -0.420 25125 10272 1 15 . 1 1 118 118 ALA C C 118 178.741 178.741 178.710 0.031 25125 10273 1 15 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.045 0.532 25125 10274 1 15 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.511 -0.353 25125 10275 1 15 . 1 1 118 118 ALA H H 118 7.958 7.958 7.336 0.622 25125 10276 1 15 . 1 1 119 119 ILE N N 119 115.269 115.269 118.580 -3.311 25125 10277 1 15 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.818 -0.090 25125 10278 1 15 . 1 1 119 119 ILE C C 119 177.366 177.366 178.349 -0.983 25125 10279 1 15 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.880 -1.211 25125 10280 1 15 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.291 -0.493 25125 10281 1 15 . 1 1 119 119 ILE H H 119 7.753 7.753 7.725 0.028 25125 10282 1 15 . 1 1 120 120 SER N N 120 115.135 115.135 114.916 0.219 25125 10283 1 15 . 1 1 120 120 SER HA H 120 4.275 4.275 4.066 0.209 25125 10284 1 15 . 1 1 120 120 SER C C 120 175.084 175.084 175.279 -0.195 25125 10285 1 15 . 1 1 120 120 SER CA C 120 59.816 59.816 61.332 -1.516 25125 10286 1 15 . 1 1 120 120 SER CB C 120 63.380 63.380 62.961 0.419 25125 10287 1 15 . 1 1 120 120 SER H H 120 7.816 7.816 8.419 -0.603 25125 10288 1 15 . 1 1 121 121 HIS N N 121 119.908 119.908 120.461 -0.553 25125 10289 1 15 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.199 0.223 25125 10290 1 15 . 1 1 121 121 HIS C C 121 175.029 175.029 177.420 -2.391 25125 10291 1 15 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.255 -2.019 25125 10292 1 15 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.777 -0.349 25125 10293 1 15 . 1 1 121 121 HIS H H 121 7.910 7.910 7.618 0.292 25125 10294 1 15 . 1 1 122 122 TYR N N 122 118.880 118.880 118.789 0.091 25125 10295 1 15 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.332 0.094 25125 10296 1 15 . 1 1 122 122 TYR C C 122 175.276 175.276 178.139 -2.863 25125 10297 1 15 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.459 -3.010 25125 10298 1 15 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.471 0.133 25125 10299 1 15 . 1 1 122 122 TYR H H 122 7.766 7.766 8.049 -0.283 25125 10300 1 15 . 1 1 123 123 GLN N N 123 121.479 121.479 116.869 4.610 25125 10301 1 15 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.391 -0.121 25125 10302 1 15 . 1 1 123 123 GLN C C 123 174.534 174.534 175.806 -1.272 25125 10303 1 15 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.028 0.484 25125 10304 1 15 . 1 1 123 123 GLN CB C 123 29.768 29.768 27.002 2.766 25125 10305 1 15 . 1 1 123 123 GLN H H 123 7.878 7.878 8.357 -0.479 25125 10306 1 16 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.862 -0.429 25125 10307 1 16 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.780 -0.216 25125 10308 1 16 . 1 1 2 2 GLN CB C 2 29.600 29.600 30.504 -0.904 25125 10309 1 16 . 1 1 3 3 ARG N N 3 121.252 121.252 122.823 -1.571 25125 10310 1 16 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.382 -0.017 25125 10311 1 16 . 1 1 3 3 ARG C C 3 175.634 175.634 175.121 0.513 25125 10312 1 16 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.265 -0.274 25125 10313 1 16 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.682 0.615 25125 10314 1 16 . 1 1 3 3 ARG H H 3 8.429 8.429 8.786 -0.357 25125 10315 1 16 . 1 1 4 4 GLY N N 4 107.663 107.663 110.136 -2.473 25125 10316 1 16 . 1 1 4 4 GLY C C 4 171.041 171.041 173.738 -2.697 25125 10317 1 16 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.486 0.830 25125 10318 1 16 . 1 1 4 4 GLY H H 4 7.963 7.963 8.011 -0.048 25125 10319 1 16 . 1 1 5 5 ILE N N 5 122.603 122.603 125.013 -2.410 25125 10320 1 16 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.037 0.662 25125 10321 1 16 . 1 1 5 5 ILE C C 5 175.359 175.359 175.000 0.359 25125 10322 1 16 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.727 -1.117 25125 10323 1 16 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.194 0.382 25125 10324 1 16 . 1 1 5 5 ILE H H 5 9.610 9.610 8.328 1.282 25125 10325 1 16 . 1 1 6 6 VAL N N 6 127.905 127.905 124.912 2.993 25125 10326 1 16 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.012 -0.200 25125 10327 1 16 . 1 1 6 6 VAL C C 6 174.204 174.204 175.435 -1.231 25125 10328 1 16 . 1 1 6 6 VAL CA C 6 59.559 59.559 59.608 -0.049 25125 10329 1 16 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.026 1.500 25125 10330 1 16 . 1 1 6 6 VAL H H 6 9.090 9.090 7.894 1.196 25125 10331 1 16 . 1 1 7 7 TRP N N 7 127.467 127.467 127.890 -0.423 25125 10332 1 16 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.094 1.360 25125 10333 1 16 . 1 1 7 7 TRP C C 7 175.056 175.056 175.165 -0.109 25125 10334 1 16 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.746 -1.868 25125 10335 1 16 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.383 1.751 25125 10336 1 16 . 1 1 7 7 TRP H H 7 8.497 8.497 8.098 0.399 25125 10337 1 16 . 1 1 8 8 VAL N N 8 122.068 122.068 119.466 2.602 25125 10338 1 16 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.374 0.712 25125 10339 1 16 . 1 1 8 8 VAL C C 8 173.874 173.874 173.987 -0.113 25125 10340 1 16 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.417 -0.931 25125 10341 1 16 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.268 1.447 25125 10342 1 16 . 1 1 8 8 VAL H H 8 8.583 8.583 8.975 -0.392 25125 10343 1 16 . 1 1 9 9 VAL N N 9 127.733 127.733 122.884 4.849 25125 10344 1 16 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.308 0.653 25125 10345 1 16 . 1 1 9 9 VAL C C 9 173.131 173.131 173.142 -0.011 25125 10346 1 16 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.893 -2.218 25125 10347 1 16 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.892 -1.981 25125 10348 1 16 . 1 1 9 9 VAL H H 9 9.107 9.107 8.542 0.565 25125 10349 1 16 . 1 1 10 10 ASP N N 10 124.306 124.306 126.023 -1.717 25125 10350 1 16 . 1 1 10 10 ASP HA H 10 4.569 4.569 5.040 -0.471 25125 10351 1 16 . 1 1 10 10 ASP C C 10 175.029 175.029 175.308 -0.279 25125 10352 1 16 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.384 -0.637 25125 10353 1 16 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.056 2.053 25125 10354 1 16 . 1 1 10 10 ASP H H 10 7.775 7.775 8.282 -0.507 25125 10355 1 16 . 1 1 11 11 ASP N N 11 126.714 126.714 115.710 11.004 25125 10356 1 16 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.805 -0.270 25125 10357 1 16 . 1 1 11 11 ASP C C 11 175.689 175.689 174.806 0.883 25125 10358 1 16 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.697 1.020 25125 10359 1 16 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.990 -0.916 25125 10360 1 16 . 1 1 11 11 ASP H H 11 9.033 9.033 8.262 0.771 25125 10361 1 16 . 1 1 12 12 ASP N N 12 121.877 121.877 120.382 1.495 25125 10362 1 16 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.942 -0.296 25125 10363 1 16 . 1 1 12 12 ASP C C 12 177.036 177.036 177.295 -0.259 25125 10364 1 16 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.014 -0.711 25125 10365 1 16 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.428 -1.264 25125 10366 1 16 . 1 1 12 12 ASP H H 12 9.570 9.570 8.203 1.367 25125 10367 1 16 . 1 1 13 13 SER N N 13 123.799 123.799 118.091 5.708 25125 10368 1 16 . 1 1 13 13 SER HA H 13 3.761 3.761 4.369 -0.608 25125 10369 1 16 . 1 1 13 13 SER C C 13 176.156 176.156 176.074 0.082 25125 10370 1 16 . 1 1 13 13 SER CA C 13 61.186 61.186 61.934 -0.748 25125 10371 1 16 . 1 1 13 13 SER CB C 13 62.749 62.749 63.244 -0.495 25125 10372 1 16 . 1 1 13 13 SER H H 13 8.850 8.850 8.716 0.134 25125 10373 1 16 . 1 1 14 14 SER N N 14 119.123 119.123 116.728 2.395 25125 10374 1 16 . 1 1 14 14 SER HA H 14 4.361 4.361 4.404 -0.043 25125 10375 1 16 . 1 1 14 14 SER C C 14 176.404 176.404 176.830 -0.426 25125 10376 1 16 . 1 1 14 14 SER CA C 14 61.730 61.730 61.199 0.531 25125 10377 1 16 . 1 1 14 14 SER CB C 14 62.548 62.548 62.689 -0.141 25125 10378 1 16 . 1 1 14 14 SER H H 14 8.531 8.531 8.499 0.032 25125 10379 1 16 . 1 1 15 15 ILE N N 15 123.637 123.637 122.679 0.958 25125 10380 1 16 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.998 -0.053 25125 10381 1 16 . 1 1 15 15 ILE C C 15 177.861 177.861 177.969 -0.108 25125 10382 1 16 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.828 -1.628 25125 10383 1 16 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.191 -1.305 25125 10384 1 16 . 1 1 15 15 ILE H H 15 7.206 7.206 7.797 -0.591 25125 10385 1 16 . 1 1 16 16 ARG N N 16 116.694 116.694 119.235 -2.541 25125 10386 1 16 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.038 -0.315 25125 10387 1 16 . 1 1 16 16 ARG C C 16 177.448 177.448 178.661 -1.213 25125 10388 1 16 . 1 1 16 16 ARG CA C 16 61.573 61.573 59.629 1.944 25125 10389 1 16 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.220 0.227 25125 10390 1 16 . 1 1 16 16 ARG H H 16 7.562 7.562 7.737 -0.175 25125 10391 1 16 . 1 1 17 17 TRP N N 17 116.848 116.848 122.166 -5.318 25125 10392 1 16 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.290 0.180 25125 10393 1 16 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.933 -1.493 25125 10394 1 16 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.043 0.249 25125 10395 1 16 . 1 1 17 17 TRP H H 17 8.005 8.005 8.865 -0.860 25125 10396 1 16 . 1 1 18 18 VAL N N 18 116.964 116.964 118.896 -1.932 25125 10397 1 16 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.563 1.112 25125 10398 1 16 . 1 1 18 18 VAL C C 18 179.181 179.181 177.547 1.634 25125 10399 1 16 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.784 -0.076 25125 10400 1 16 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.572 0.065 25125 10401 1 16 . 1 1 18 18 VAL H H 18 8.110 8.110 7.621 0.489 25125 10402 1 16 . 1 1 19 19 LEU N N 19 120.186 120.186 117.424 2.762 25125 10403 1 16 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.104 -0.029 25125 10404 1 16 . 1 1 19 19 LEU C C 19 177.778 177.778 178.715 -0.937 25125 10405 1 16 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.344 0.477 25125 10406 1 16 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.525 0.256 25125 10407 1 16 . 1 1 19 19 LEU H H 19 8.073 8.073 7.553 0.520 25125 10408 1 16 . 1 1 20 20 GLU N N 20 120.193 120.193 120.037 0.156 25125 10409 1 16 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.200 -0.259 25125 10410 1 16 . 1 1 20 20 GLU C C 20 178.603 178.603 178.828 -0.225 25125 10411 1 16 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.913 1.698 25125 10412 1 16 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.819 -0.731 25125 10413 1 16 . 1 1 20 20 GLU H H 20 8.387 8.387 8.074 0.313 25125 10414 1 16 . 1 1 21 21 ARG N N 21 116.076 116.076 119.057 -2.981 25125 10415 1 16 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.963 -0.070 25125 10416 1 16 . 1 1 21 21 ARG C C 21 179.676 179.676 178.481 1.195 25125 10417 1 16 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.525 -0.076 25125 10418 1 16 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.267 0.586 25125 10419 1 16 . 1 1 21 21 ARG H H 21 7.602 7.602 8.094 -0.492 25125 10420 1 16 . 1 1 22 22 ALA N N 22 122.405 122.405 122.297 0.108 25125 10421 1 16 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.053 0.044 25125 10422 1 16 . 1 1 22 22 ALA C C 22 180.501 180.501 179.636 0.865 25125 10423 1 16 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.581 -0.003 25125 10424 1 16 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.129 1.103 25125 10425 1 16 . 1 1 22 22 ALA H H 22 7.992 7.992 7.887 0.105 25125 10426 1 16 . 1 1 23 23 LEU N N 23 118.026 118.026 118.063 -0.037 25125 10427 1 16 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.210 -0.209 25125 10428 1 16 . 1 1 23 23 LEU C C 23 178.878 178.878 179.199 -0.321 25125 10429 1 16 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.983 1.738 25125 10430 1 16 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.853 -2.198 25125 10431 1 16 . 1 1 23 23 LEU H H 23 8.825 8.825 7.613 1.212 25125 10432 1 16 . 1 1 24 24 ALA N N 24 122.159 122.159 122.337 -0.178 25125 10433 1 16 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.069 0.564 25125 10434 1 16 . 1 1 24 24 ALA C C 24 183.141 183.141 178.698 4.443 25125 10435 1 16 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.454 0.293 25125 10436 1 16 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.402 -0.700 25125 10437 1 16 . 1 1 24 24 ALA H H 24 8.125 8.125 7.799 0.326 25125 10438 1 16 . 1 1 25 25 GLY N N 25 106.891 106.891 105.470 1.421 25125 10439 1 16 . 1 1 25 25 GLY C C 25 174.286 174.286 174.236 0.050 25125 10440 1 16 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.051 1.370 25125 10441 1 16 . 1 1 25 25 GLY H H 25 7.870 7.870 7.844 0.026 25125 10442 1 16 . 1 1 26 26 ALA N N 26 121.819 121.819 123.146 -1.327 25125 10443 1 16 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.585 -0.086 25125 10444 1 16 . 1 1 26 26 ALA C C 26 176.953 176.953 177.851 -0.898 25125 10445 1 16 . 1 1 26 26 ALA CA C 26 51.519 51.519 50.739 0.780 25125 10446 1 16 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.118 -1.396 25125 10447 1 16 . 1 1 26 26 ALA H H 26 7.285 7.285 7.386 -0.101 25125 10448 1 16 . 1 1 27 27 GLY N N 27 106.197 106.197 107.717 -1.520 25125 10449 1 16 . 1 1 27 27 GLY C C 27 173.956 173.956 172.742 1.214 25125 10450 1 16 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.805 0.511 25125 10451 1 16 . 1 1 27 27 GLY H H 27 7.824 7.824 8.679 -0.855 25125 10452 1 16 . 1 1 28 28 LEU N N 28 120.291 120.291 119.730 0.561 25125 10453 1 16 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.752 -0.177 25125 10454 1 16 . 1 1 28 28 LEU C C 28 175.881 175.881 176.238 -0.357 25125 10455 1 16 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.199 0.444 25125 10456 1 16 . 1 1 28 28 LEU CB C 28 42.485 42.485 45.224 -2.739 25125 10457 1 16 . 1 1 28 28 LEU H H 28 7.678 7.678 7.238 0.440 25125 10458 1 16 . 1 1 29 29 THR N N 29 118.040 118.040 116.853 1.187 25125 10459 1 16 . 1 1 29 29 THR HA H 29 4.335 4.335 4.352 -0.017 25125 10460 1 16 . 1 1 29 29 THR C C 29 173.186 173.186 173.665 -0.479 25125 10461 1 16 . 1 1 29 29 THR CA C 29 62.479 62.479 63.167 -0.688 25125 10462 1 16 . 1 1 29 29 THR CB C 29 69.465 69.465 69.615 -0.150 25125 10463 1 16 . 1 1 29 29 THR H H 29 8.527 8.527 8.426 0.101 25125 10464 1 16 . 1 1 30 30 CYS N N 30 128.387 128.387 121.954 6.433 25125 10465 1 16 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.460 0.483 25125 10466 1 16 . 1 1 30 30 CYS C C 30 173.846 173.846 174.242 -0.396 25125 10467 1 16 . 1 1 30 30 CYS CA C 30 56.362 56.362 58.199 -1.837 25125 10468 1 16 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.535 -1.055 25125 10469 1 16 . 1 1 30 30 CYS H H 30 8.968 8.968 8.658 0.310 25125 10470 1 16 . 1 1 31 31 THR N N 31 126.481 126.481 123.915 2.566 25125 10471 1 16 . 1 1 31 31 THR HA H 31 4.433 4.433 4.446 -0.012 25125 10472 1 16 . 1 1 31 31 THR C C 31 172.609 172.609 173.080 -0.471 25125 10473 1 16 . 1 1 31 31 THR CA C 31 61.951 61.951 61.386 0.564 25125 10474 1 16 . 1 1 31 31 THR CB C 31 70.567 70.567 69.722 0.845 25125 10475 1 16 . 1 1 31 31 THR H H 31 8.614 8.614 8.451 0.163 25125 10476 1 16 . 1 1 32 32 THR N N 32 116.418 116.418 118.549 -2.131 25125 10477 1 16 . 1 1 32 32 THR HA H 32 5.330 5.330 5.224 0.106 25125 10478 1 16 . 1 1 32 32 THR C C 32 172.306 172.306 173.471 -1.165 25125 10479 1 16 . 1 1 32 32 THR CA C 32 59.173 59.173 60.149 -0.976 25125 10480 1 16 . 1 1 32 32 THR CB C 32 70.917 70.917 70.013 0.904 25125 10481 1 16 . 1 1 32 32 THR H H 32 8.299 8.299 8.382 -0.083 25125 10482 1 16 . 1 1 33 33 PHE N N 33 118.067 118.067 126.779 -8.712 25125 10483 1 16 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.479 0.164 25125 10484 1 16 . 1 1 33 33 PHE C C 33 174.341 174.341 175.713 -1.372 25125 10485 1 16 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.727 -2.195 25125 10486 1 16 . 1 1 33 33 PHE CB C 33 43.309 43.309 39.834 3.475 25125 10487 1 16 . 1 1 33 33 PHE H H 33 8.890 8.890 8.219 0.671 25125 10488 1 16 . 1 1 34 34 GLU N N 34 118.499 118.499 110.269 8.230 25125 10489 1 16 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.285 0.069 25125 10490 1 16 . 1 1 34 34 GLU C C 34 175.414 175.414 174.580 0.834 25125 10491 1 16 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.851 -0.159 25125 10492 1 16 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.325 1.142 25125 10493 1 16 . 1 1 34 34 GLU H H 34 9.023 9.023 8.492 0.531 25125 10494 1 16 . 1 1 35 35 ASN N N 35 109.907 109.907 116.907 -7.000 25125 10495 1 16 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.029 -0.248 25125 10496 1 16 . 1 1 35 35 ASN C C 35 175.139 175.139 176.657 -1.518 25125 10497 1 16 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.152 -0.006 25125 10498 1 16 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.469 -0.146 25125 10499 1 16 . 1 1 35 35 ASN H H 35 7.401 7.401 7.858 -0.457 25125 10500 1 16 . 1 1 36 36 GLY N N 36 106.739 106.739 109.640 -2.901 25125 10501 1 16 . 1 1 36 36 GLY C C 36 174.616 174.616 175.148 -0.532 25125 10502 1 16 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.979 0.037 25125 10503 1 16 . 1 1 36 36 GLY H H 36 8.877 8.877 8.998 -0.121 25125 10504 1 16 . 1 1 37 37 ASN N N 37 120.462 120.462 118.848 1.614 25125 10505 1 16 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.496 -0.134 25125 10506 1 16 . 1 1 37 37 ASN C C 37 178.686 178.686 177.030 1.656 25125 10507 1 16 . 1 1 37 37 ASN CA C 37 56.532 56.532 56.005 0.527 25125 10508 1 16 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.586 -1.002 25125 10509 1 16 . 1 1 37 37 ASN H H 37 8.366 8.366 7.934 0.432 25125 10510 1 16 . 1 1 38 38 GLU N N 38 119.360 119.360 117.658 1.702 25125 10511 1 16 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.230 -0.160 25125 10512 1 16 . 1 1 38 38 GLU C C 38 179.263 179.263 177.311 1.952 25125 10513 1 16 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.089 1.543 25125 10514 1 16 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.448 1.084 25125 10515 1 16 . 1 1 38 38 GLU H H 38 7.990 7.990 7.603 0.387 25125 10516 1 16 . 1 1 39 39 VAL N N 39 119.259 119.259 119.156 0.103 25125 10517 1 16 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.232 -0.464 25125 10518 1 16 . 1 1 39 39 VAL C C 39 176.431 176.431 177.434 -1.003 25125 10519 1 16 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.177 -0.233 25125 10520 1 16 . 1 1 39 39 VAL CB C 39 31.075 31.075 32.136 -1.061 25125 10521 1 16 . 1 1 39 39 VAL H H 39 6.883 6.883 7.678 -0.795 25125 10522 1 16 . 1 1 40 40 LEU N N 40 119.627 119.627 121.521 -1.894 25125 10523 1 16 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.999 -0.072 25125 10524 1 16 . 1 1 40 40 LEU C C 40 179.538 179.538 178.063 1.475 25125 10525 1 16 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.136 -0.196 25125 10526 1 16 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.413 -0.345 25125 10527 1 16 . 1 1 40 40 LEU H H 40 7.692 7.692 7.910 -0.218 25125 10528 1 16 . 1 1 41 41 ALA N N 41 120.051 120.051 119.897 0.154 25125 10529 1 16 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.163 -0.023 25125 10530 1 16 . 1 1 41 41 ALA C C 41 180.528 180.528 178.427 2.101 25125 10531 1 16 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.238 0.412 25125 10532 1 16 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.065 -0.199 25125 10533 1 16 . 1 1 41 41 ALA H H 41 7.553 7.553 7.756 -0.203 25125 10534 1 16 . 1 1 42 42 ALA N N 42 122.731 122.731 121.125 1.606 25125 10535 1 16 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.183 0.016 25125 10536 1 16 . 1 1 42 42 ALA C C 42 180.198 180.198 180.268 -0.070 25125 10537 1 16 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.365 0.667 25125 10538 1 16 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.366 1.033 25125 10539 1 16 . 1 1 42 42 ALA H H 42 7.604 7.604 7.102 0.502 25125 10540 1 16 . 1 1 43 43 LEU N N 43 119.131 119.131 119.315 -0.184 25125 10541 1 16 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.968 1.238 25125 10542 1 16 . 1 1 43 43 LEU C C 43 177.421 177.421 179.095 -1.674 25125 10543 1 16 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.460 -1.915 25125 10544 1 16 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.188 1.416 25125 10545 1 16 . 1 1 43 43 LEU H H 43 8.288 8.288 8.276 0.012 25125 10546 1 16 . 1 1 44 44 ALA N N 44 119.065 119.065 117.761 1.304 25125 10547 1 16 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.159 0.070 25125 10548 1 16 . 1 1 44 44 ALA C C 44 178.686 178.686 178.407 0.279 25125 10549 1 16 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.801 0.437 25125 10550 1 16 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.292 0.224 25125 10551 1 16 . 1 1 44 44 ALA H H 44 7.302 7.302 7.902 -0.600 25125 10552 1 16 . 1 1 45 45 SER N N 45 108.656 108.656 114.935 -6.279 25125 10553 1 16 . 1 1 45 45 SER HA H 45 4.742 4.742 4.400 0.342 25125 10554 1 16 . 1 1 45 45 SER C C 45 173.296 173.296 175.925 -2.629 25125 10555 1 16 . 1 1 45 45 SER CA C 45 58.656 58.656 60.971 -2.315 25125 10556 1 16 . 1 1 45 45 SER CB C 45 65.407 65.407 63.896 1.511 25125 10557 1 16 . 1 1 45 45 SER H H 45 7.728 7.728 8.066 -0.338 25125 10558 1 16 . 1 1 46 46 LYS N N 46 123.016 123.016 116.480 6.536 25125 10559 1 16 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.634 -0.048 25125 10560 1 16 . 1 1 46 46 LYS C C 46 172.719 172.719 175.720 -3.001 25125 10561 1 16 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.233 -0.721 25125 10562 1 16 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.089 2.136 25125 10563 1 16 . 1 1 46 46 LYS H H 46 8.101 8.101 8.092 0.009 25125 10564 1 16 . 1 1 47 47 THR N N 47 111.780 111.780 113.882 -2.102 25125 10565 1 16 . 1 1 47 47 THR HA H 47 4.282 4.282 3.861 0.421 25125 10566 1 16 . 1 1 47 47 THR CA C 47 57.806 57.806 62.351 -4.545 25125 10567 1 16 . 1 1 47 47 THR CB C 47 70.594 70.594 67.868 2.725 25125 10568 1 16 . 1 1 47 47 THR H H 47 7.677 7.677 7.867 -0.190 25125 10569 1 16 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.916 -0.011 25125 10570 1 16 . 1 1 48 48 PRO C C 48 172.966 172.966 175.422 -2.456 25125 10571 1 16 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.359 -1.494 25125 10572 1 16 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.568 -1.291 25125 10573 1 16 . 1 1 49 49 ASP N N 49 115.035 115.035 118.554 -3.519 25125 10574 1 16 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.584 -0.140 25125 10575 1 16 . 1 1 49 49 ASP C C 49 175.634 175.634 175.496 0.138 25125 10576 1 16 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.573 0.874 25125 10577 1 16 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.227 0.285 25125 10578 1 16 . 1 1 49 49 ASP H H 49 8.502 8.502 8.090 0.412 25125 10579 1 16 . 1 1 50 50 VAL N N 50 112.082 112.082 114.759 -2.677 25125 10580 1 16 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.614 -0.334 25125 10581 1 16 . 1 1 50 50 VAL C C 50 171.454 171.454 172.895 -1.441 25125 10582 1 16 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.690 -1.128 25125 10583 1 16 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.854 -0.218 25125 10584 1 16 . 1 1 50 50 VAL H H 50 7.173 7.173 7.022 0.151 25125 10585 1 16 . 1 1 51 51 LEU N N 51 128.247 128.247 124.678 3.569 25125 10586 1 16 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.202 0.117 25125 10587 1 16 . 1 1 51 51 LEU C C 51 173.104 173.104 175.072 -1.968 25125 10588 1 16 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.119 0.099 25125 10589 1 16 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.866 -0.360 25125 10590 1 16 . 1 1 51 51 LEU H H 51 8.059 8.059 7.951 0.108 25125 10591 1 16 . 1 1 52 52 LEU N N 52 128.407 128.407 120.274 8.133 25125 10592 1 16 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.926 0.575 25125 10593 1 16 . 1 1 52 52 LEU C C 52 175.414 175.414 176.239 -0.825 25125 10594 1 16 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.208 0.115 25125 10595 1 16 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.558 2.963 25125 10596 1 16 . 1 1 52 52 LEU H H 52 9.242 9.242 7.981 1.261 25125 10597 1 16 . 1 1 53 53 SER N N 53 114.946 114.946 118.435 -3.489 25125 10598 1 16 . 1 1 53 53 SER HA H 53 5.595 5.595 4.221 1.374 25125 10599 1 16 . 1 1 53 53 SER C C 53 174.644 174.644 173.627 1.017 25125 10600 1 16 . 1 1 53 53 SER CA C 53 55.954 55.954 59.696 -3.742 25125 10601 1 16 . 1 1 53 53 SER CB C 53 66.473 66.473 64.046 2.427 25125 10602 1 16 . 1 1 53 53 SER H H 53 8.695 8.695 7.978 0.717 25125 10603 1 16 . 1 1 54 54 ASP N N 54 128.341 128.341 127.509 0.832 25125 10604 1 16 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.118 0.207 25125 10605 1 16 . 1 1 54 54 ASP C C 54 176.816 176.816 175.903 0.913 25125 10606 1 16 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.798 1.695 25125 10607 1 16 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.268 -0.940 25125 10608 1 16 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125 10609 1 16 . 1 1 55 55 ILE N N 55 121.229 121.229 126.299 -5.070 25125 10610 1 16 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.074 0.111 25125 10611 1 16 . 1 1 55 55 ILE C C 55 175.084 175.084 174.883 0.201 25125 10612 1 16 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.971 -0.429 25125 10613 1 16 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.615 2.414 25125 10614 1 16 . 1 1 55 55 ILE H H 55 8.722 8.722 8.930 -0.208 25125 10615 1 16 . 1 1 56 56 ARG N N 56 124.188 124.188 125.262 -1.074 25125 10616 1 16 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.530 -0.025 25125 10617 1 16 . 1 1 56 56 ARG C C 56 175.661 175.661 176.216 -0.555 25125 10618 1 16 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.114 -0.673 25125 10619 1 16 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.948 -2.586 25125 10620 1 16 . 1 1 56 56 ARG H H 56 8.499 8.499 8.061 0.438 25125 10621 1 16 . 1 1 57 57 MET N N 57 122.581 122.581 120.093 2.488 25125 10622 1 16 . 1 1 57 57 MET HA H 57 4.821 4.821 4.438 0.383 25125 10623 1 16 . 1 1 57 57 MET CA C 57 53.132 53.132 55.616 -2.484 25125 10624 1 16 . 1 1 57 57 MET CB C 57 33.445 33.445 32.201 1.244 25125 10625 1 16 . 1 1 57 57 MET H H 57 7.956 7.956 8.093 -0.137 25125 10626 1 16 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.402 -0.009 25125 10627 1 16 . 1 1 58 58 PRO C C 58 177.806 177.806 178.361 -0.555 25125 10628 1 16 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.192 -0.692 25125 10629 1 16 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.066 -0.259 25125 10630 1 16 . 1 1 59 59 GLY N N 59 111.082 111.082 107.876 3.206 25125 10631 1 16 . 1 1 59 59 GLY C C 59 173.626 173.626 174.516 -0.890 25125 10632 1 16 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.039 0.551 25125 10633 1 16 . 1 1 59 59 GLY H H 59 8.653 8.653 8.448 0.204 25125 10634 1 16 . 1 1 60 60 MET N N 60 120.052 120.052 119.591 0.461 25125 10635 1 16 . 1 1 60 60 MET HA H 60 4.525 4.525 4.400 0.125 25125 10636 1 16 . 1 1 60 60 MET C C 60 173.956 173.956 175.981 -2.025 25125 10637 1 16 . 1 1 60 60 MET CA C 60 55.047 55.047 56.047 -1.000 25125 10638 1 16 . 1 1 60 60 MET CB C 60 34.506 34.506 33.782 0.724 25125 10639 1 16 . 1 1 60 60 MET H H 60 7.968 7.968 8.063 -0.095 25125 10640 1 16 . 1 1 61 61 ASP N N 61 121.306 121.306 121.868 -0.562 25125 10641 1 16 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.633 0.071 25125 10642 1 16 . 1 1 61 61 ASP C C 61 176.761 176.761 176.664 0.097 25125 10643 1 16 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.884 -1.155 25125 10644 1 16 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.921 0.148 25125 10645 1 16 . 1 1 61 61 ASP H H 61 8.379 8.379 8.705 -0.326 25125 10646 1 16 . 1 1 62 62 GLY N N 62 110.874 110.874 108.084 2.790 25125 10647 1 16 . 1 1 62 62 GLY C C 62 175.194 175.194 175.670 -0.476 25125 10648 1 16 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.691 0.410 25125 10649 1 16 . 1 1 62 62 GLY H H 62 8.707 8.707 8.305 0.402 25125 10650 1 16 . 1 1 63 63 LEU N N 63 121.299 121.299 120.531 0.768 25125 10651 1 16 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.625 -0.448 25125 10652 1 16 . 1 1 63 63 LEU C C 63 178.356 178.356 178.075 0.281 25125 10653 1 16 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.557 1.321 25125 10654 1 16 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.480 0.758 25125 10655 1 16 . 1 1 63 63 LEU H H 63 8.045 8.045 7.770 0.275 25125 10656 1 16 . 1 1 64 64 ALA N N 64 122.741 122.741 122.404 0.337 25125 10657 1 16 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.118 -0.056 25125 10658 1 16 . 1 1 64 64 ALA C C 64 180.556 180.556 179.218 1.338 25125 10659 1 16 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.046 -0.431 25125 10660 1 16 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.698 0.302 25125 10661 1 16 . 1 1 64 64 ALA H H 64 7.859 7.859 8.279 -0.420 25125 10662 1 16 . 1 1 65 65 LEU N N 65 120.287 120.287 115.068 5.219 25125 10663 1 16 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.400 -0.338 25125 10664 1 16 . 1 1 65 65 LEU C C 65 178.191 178.191 178.388 -0.197 25125 10665 1 16 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.724 1.296 25125 10666 1 16 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.205 -0.966 25125 10667 1 16 . 1 1 65 65 LEU H H 65 8.022 8.022 7.550 0.472 25125 10668 1 16 . 1 1 66 66 LEU N N 66 118.738 118.738 120.343 -1.605 25125 10669 1 16 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.179 -0.321 25125 10670 1 16 . 1 1 66 66 LEU C C 66 178.631 178.631 178.787 -0.156 25125 10671 1 16 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.718 1.628 25125 10672 1 16 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.950 0.288 25125 10673 1 16 . 1 1 66 66 LEU H H 66 8.101 8.101 7.824 0.277 25125 10674 1 16 . 1 1 67 67 LYS N N 67 117.842 117.842 117.300 0.542 25125 10675 1 16 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.097 -0.115 25125 10676 1 16 . 1 1 67 67 LYS C C 67 179.263 179.263 178.731 0.532 25125 10677 1 16 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.780 1.017 25125 10678 1 16 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.914 0.293 25125 10679 1 16 . 1 1 67 67 LYS H H 67 8.010 8.010 8.289 -0.279 25125 10680 1 16 . 1 1 68 68 GLN N N 68 118.875 118.875 117.158 1.717 25125 10681 1 16 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.317 -0.261 25125 10682 1 16 . 1 1 68 68 GLN C C 68 179.071 179.071 177.500 1.571 25125 10683 1 16 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.250 0.823 25125 10684 1 16 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.583 0.028 25125 10685 1 16 . 1 1 68 68 GLN H H 68 7.809 7.809 7.449 0.360 25125 10686 1 16 . 1 1 69 69 ILE N N 69 120.377 120.377 121.876 -1.499 25125 10687 1 16 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.994 -0.464 25125 10688 1 16 . 1 1 69 69 ILE C C 69 177.421 177.421 178.363 -0.942 25125 10689 1 16 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.778 1.100 25125 10690 1 16 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.669 -0.085 25125 10691 1 16 . 1 1 69 69 ILE H H 69 8.481 8.481 7.599 0.882 25125 10692 1 16 . 1 1 70 70 LYS N N 70 117.873 117.873 119.231 -1.358 25125 10693 1 16 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.130 -0.170 25125 10694 1 16 . 1 1 70 70 LYS C C 70 178.053 178.053 177.895 0.158 25125 10695 1 16 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.157 -2.070 25125 10696 1 16 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.281 -1.069 25125 10697 1 16 . 1 1 70 70 LYS H H 70 8.220 8.220 7.744 0.476 25125 10698 1 16 . 1 1 71 71 GLN N N 71 116.315 116.315 116.937 -0.622 25125 10699 1 16 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.191 -0.199 25125 10700 1 16 . 1 1 71 71 GLN C C 71 177.366 177.366 177.796 -0.430 25125 10701 1 16 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.978 0.212 25125 10702 1 16 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.960 -0.295 25125 10703 1 16 . 1 1 71 71 GLN H H 71 7.601 7.601 7.376 0.225 25125 10704 1 16 . 1 1 72 72 ARG N N 72 116.530 116.530 117.699 -1.169 25125 10705 1 16 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.034 -0.004 25125 10706 1 16 . 1 1 72 72 ARG C C 72 175.826 175.826 176.087 -0.261 25125 10707 1 16 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.477 -0.255 25125 10708 1 16 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.496 0.306 25125 10709 1 16 . 1 1 72 72 ARG H H 72 7.301 7.301 8.132 -0.831 25125 10710 1 16 . 1 1 73 73 HIS N N 73 116.755 116.755 116.362 0.393 25125 10711 1 16 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.882 0.078 25125 10712 1 16 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.874 0.343 25125 10713 1 16 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.133 0.429 25125 10714 1 16 . 1 1 73 73 HIS H H 73 8.331 8.331 7.844 0.487 25125 10715 1 16 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.472 0.027 25125 10716 1 16 . 1 1 74 74 PRO C C 74 178.466 178.466 177.503 0.963 25125 10717 1 16 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.915 0.198 25125 10718 1 16 . 1 1 74 74 PRO CB C 74 32.095 32.095 31.929 0.166 25125 10719 1 16 . 1 1 75 75 MET N N 75 114.814 114.814 112.381 2.433 25125 10720 1 16 . 1 1 75 75 MET HA H 75 4.567 4.567 4.496 0.071 25125 10721 1 16 . 1 1 75 75 MET C C 75 176.046 176.046 175.633 0.413 25125 10722 1 16 . 1 1 75 75 MET CA C 75 54.266 54.266 55.845 -1.579 25125 10723 1 16 . 1 1 75 75 MET CB C 75 31.288 31.288 31.672 -0.384 25125 10724 1 16 . 1 1 75 75 MET H H 75 8.623 8.623 7.782 0.841 25125 10725 1 16 . 1 1 76 76 LEU N N 76 125.533 125.533 123.306 2.227 25125 10726 1 16 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.696 -0.391 25125 10727 1 16 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.613 1.499 25125 10728 1 16 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.344 0.341 25125 10729 1 16 . 1 1 76 76 LEU H H 76 7.337 7.337 7.140 0.197 25125 10730 1 16 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.557 -0.111 25125 10731 1 16 . 1 1 77 77 PRO C C 77 174.974 174.974 175.209 -0.235 25125 10732 1 16 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.425 0.402 25125 10733 1 16 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.293 -0.571 25125 10734 1 16 . 1 1 78 78 VAL N N 78 123.779 123.779 119.956 3.823 25125 10735 1 16 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.539 0.485 25125 10736 1 16 . 1 1 78 78 VAL C C 78 175.441 175.441 174.963 0.478 25125 10737 1 16 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.806 -0.613 25125 10738 1 16 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.327 -2.033 25125 10739 1 16 . 1 1 78 78 VAL H H 78 8.317 8.317 8.151 0.166 25125 10740 1 16 . 1 1 79 79 ILE N N 79 128.334 128.334 120.936 7.398 25125 10741 1 16 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.782 -0.301 25125 10742 1 16 . 1 1 79 79 ILE C C 79 174.479 174.479 174.937 -0.458 25125 10743 1 16 . 1 1 79 79 ILE CA C 79 59.522 59.522 59.982 -0.460 25125 10744 1 16 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.424 -1.461 25125 10745 1 16 . 1 1 79 79 ILE H H 79 9.292 9.292 8.069 1.223 25125 10746 1 16 . 1 1 80 80 ILE N N 80 127.023 127.023 126.560 0.463 25125 10747 1 16 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.426 0.433 25125 10748 1 16 . 1 1 80 80 ILE C C 80 175.029 175.029 174.989 0.040 25125 10749 1 16 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.916 -1.759 25125 10750 1 16 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.323 -1.379 25125 10751 1 16 . 1 1 80 80 ILE H H 80 7.938 7.938 8.880 -0.942 25125 10752 1 16 . 1 1 81 81 MET N N 81 127.255 127.255 126.322 0.933 25125 10753 1 16 . 1 1 81 81 MET HA H 81 5.521 5.521 5.193 0.328 25125 10754 1 16 . 1 1 81 81 MET C C 81 174.534 174.534 175.160 -0.626 25125 10755 1 16 . 1 1 81 81 MET CA C 81 53.513 53.513 55.211 -1.698 25125 10756 1 16 . 1 1 81 81 MET CB C 81 35.483 35.483 36.072 -0.589 25125 10757 1 16 . 1 1 81 81 MET H H 81 8.801 8.801 8.438 0.363 25125 10758 1 16 . 1 1 82 82 THR N N 82 112.857 112.857 117.283 -4.426 25125 10759 1 16 . 1 1 82 82 THR HA H 82 4.914 4.914 4.242 0.672 25125 10760 1 16 . 1 1 82 82 THR C C 82 172.581 172.581 173.202 -0.621 25125 10761 1 16 . 1 1 82 82 THR CA C 82 59.561 59.561 62.541 -2.980 25125 10762 1 16 . 1 1 82 82 THR CB C 82 69.989 69.989 69.449 0.540 25125 10763 1 16 . 1 1 82 82 THR H H 82 7.623 7.623 8.494 -0.871 25125 10764 1 16 . 1 1 83 83 ALA N N 83 129.541 129.541 123.046 6.495 25125 10765 1 16 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.737 0.971 25125 10766 1 16 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.196 -0.658 25125 10767 1 16 . 1 1 83 83 ALA CB C 83 19.147 19.147 18.006 1.141 25125 10768 1 16 . 1 1 83 83 ALA H H 83 9.149 9.149 7.720 1.429 25125 10769 1 16 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.182 0.090 25125 10770 1 16 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.951 3.749 25125 10771 1 16 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.545 1.473 25125 10772 1 16 . 1 1 85 85 SER N N 85 112.633 112.633 115.088 -2.455 25125 10773 1 16 . 1 1 85 85 SER HA H 85 4.198 4.198 4.084 0.114 25125 10774 1 16 . 1 1 85 85 SER C C 85 174.506 174.506 176.186 -1.680 25125 10775 1 16 . 1 1 85 85 SER CA C 85 59.823 59.823 61.157 -1.334 25125 10776 1 16 . 1 1 85 85 SER CB C 85 62.693 62.693 62.772 -0.079 25125 10777 1 16 . 1 1 85 85 SER H H 85 8.224 8.224 8.703 -0.479 25125 10778 1 16 . 1 1 86 86 ASP N N 86 120.886 120.886 121.672 -0.786 25125 10779 1 16 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.304 0.632 25125 10780 1 16 . 1 1 86 86 ASP C C 86 175.881 175.881 178.313 -2.432 25125 10781 1 16 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.213 -3.279 25125 10782 1 16 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.420 1.583 25125 10783 1 16 . 1 1 86 86 ASP H H 86 7.608 7.608 7.914 -0.306 25125 10784 1 16 . 1 1 87 87 LEU N N 87 121.913 121.913 118.640 3.273 25125 10785 1 16 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.828 0.091 25125 10786 1 16 . 1 1 87 87 LEU C C 87 177.586 177.586 177.986 -0.400 25125 10787 1 16 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.374 0.463 25125 10788 1 16 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.838 0.477 25125 10789 1 16 . 1 1 87 87 LEU H H 87 7.498 7.498 7.717 -0.219 25125 10790 1 16 . 1 1 88 88 ASP N N 88 117.621 117.621 118.540 -0.919 25125 10791 1 16 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.280 -0.008 25125 10792 1 16 . 1 1 88 88 ASP C C 88 178.246 178.246 177.296 0.950 25125 10793 1 16 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.547 -0.737 25125 10794 1 16 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.838 -0.704 25125 10795 1 16 . 1 1 88 88 ASP H H 88 8.322 8.322 7.968 0.354 25125 10796 1 16 . 1 1 89 89 ALA N N 89 122.874 122.874 119.780 3.094 25125 10797 1 16 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.411 -0.317 25125 10798 1 16 . 1 1 89 89 ALA C C 89 179.346 179.346 178.821 0.525 25125 10799 1 16 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.163 -0.010 25125 10800 1 16 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.784 -0.523 25125 10801 1 16 . 1 1 89 89 ALA H H 89 7.838 7.838 7.312 0.526 25125 10802 1 16 . 1 1 90 90 ALA N N 90 121.673 121.673 120.898 0.775 25125 10803 1 16 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.237 -0.304 25125 10804 1 16 . 1 1 90 90 ALA C C 90 178.686 178.686 179.746 -1.060 25125 10805 1 16 . 1 1 90 90 ALA CA C 90 54.663 54.663 53.927 0.736 25125 10806 1 16 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.641 -0.259 25125 10807 1 16 . 1 1 90 90 ALA H H 90 7.896 7.896 7.625 0.271 25125 10808 1 16 . 1 1 91 91 VAL N N 91 117.749 117.749 119.232 -1.483 25125 10809 1 16 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.982 -0.370 25125 10810 1 16 . 1 1 91 91 VAL C C 91 178.411 178.411 177.338 1.073 25125 10811 1 16 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.845 -1.664 25125 10812 1 16 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.644 -0.007 25125 10813 1 16 . 1 1 91 91 VAL H H 91 8.098 8.098 8.621 -0.523 25125 10814 1 16 . 1 1 92 92 SER N N 92 114.942 114.942 113.742 1.200 25125 10815 1 16 . 1 1 92 92 SER HA H 92 4.231 4.231 4.469 -0.238 25125 10816 1 16 . 1 1 92 92 SER C C 92 175.826 175.826 175.394 0.432 25125 10817 1 16 . 1 1 92 92 SER CA C 92 60.649 60.649 59.879 0.770 25125 10818 1 16 . 1 1 92 92 SER CB C 92 63.063 63.063 64.355 -1.292 25125 10819 1 16 . 1 1 92 92 SER H H 92 7.825 7.825 8.198 -0.373 25125 10820 1 16 . 1 1 93 93 ALA N N 93 122.580 122.580 123.566 -0.986 25125 10821 1 16 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.438 -0.381 25125 10822 1 16 . 1 1 93 93 ALA C C 93 178.906 178.906 179.546 -0.640 25125 10823 1 16 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.434 -0.116 25125 10824 1 16 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.684 -0.387 25125 10825 1 16 . 1 1 93 93 ALA H H 93 7.861 7.861 7.496 0.365 25125 10826 1 16 . 1 1 94 94 TYR N N 94 118.447 118.447 120.733 -2.286 25125 10827 1 16 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.264 0.228 25125 10828 1 16 . 1 1 94 94 TYR C C 94 177.393 177.393 177.487 -0.094 25125 10829 1 16 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.991 -0.740 25125 10830 1 16 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.415 0.019 25125 10831 1 16 . 1 1 94 94 TYR H H 94 8.150 8.150 7.953 0.197 25125 10832 1 16 . 1 1 95 95 GLN N N 95 119.787 119.787 115.845 3.942 25125 10833 1 16 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.001 0.042 25125 10834 1 16 . 1 1 95 95 GLN C C 95 176.981 176.981 176.386 0.595 25125 10835 1 16 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.831 0.635 25125 10836 1 16 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.802 0.287 25125 10837 1 16 . 1 1 95 95 GLN H H 95 8.271 8.271 7.967 0.304 25125 10838 1 16 . 1 1 96 96 GLN N N 96 117.878 117.878 118.915 -1.037 25125 10839 1 16 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.208 0.137 25125 10840 1 16 . 1 1 96 96 GLN C C 96 175.854 175.854 175.589 0.265 25125 10841 1 16 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.896 0.275 25125 10842 1 16 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.313 0.162 25125 10843 1 16 . 1 1 96 96 GLN H H 96 7.944 7.944 7.676 0.268 25125 10844 1 16 . 1 1 97 97 GLY N N 97 106.670 106.670 104.671 1.999 25125 10845 1 16 . 1 1 97 97 GLY C C 97 174.231 174.231 173.383 0.848 25125 10846 1 16 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.640 0.846 25125 10847 1 16 . 1 1 97 97 GLY H H 97 7.949 7.949 7.293 0.656 25125 10848 1 16 . 1 1 98 98 ALA N N 98 122.898 122.898 121.802 1.096 25125 10849 1 16 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.496 -0.121 25125 10850 1 16 . 1 1 98 98 ALA C C 98 175.991 175.991 175.362 0.629 25125 10851 1 16 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.849 2.319 25125 10852 1 16 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.541 -1.572 25125 10853 1 16 . 1 1 98 98 ALA H H 98 7.808 7.808 7.137 0.671 25125 10854 1 16 . 1 1 99 99 PHE N N 99 123.484 123.484 121.170 2.314 25125 10855 1 16 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.360 -0.010 25125 10856 1 16 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.956 1.500 25125 10857 1 16 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.103 -0.663 25125 10858 1 16 . 1 1 99 99 PHE H H 99 7.704 7.704 8.220 -0.516 25125 10859 1 16 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.862 0.642 25125 10860 1 16 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.209 -1.727 25125 10861 1 16 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.081 4.119 25125 10862 1 16 . 1 1 101 101 TYR N N 101 118.148 118.148 119.955 -1.807 25125 10863 1 16 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.483 0.965 25125 10864 1 16 . 1 1 101 101 TYR C C 101 173.159 173.159 174.749 -1.590 25125 10865 1 16 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.706 -0.719 25125 10866 1 16 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.888 3.010 25125 10867 1 16 . 1 1 101 101 TYR H H 101 9.546 9.546 7.405 2.141 25125 10868 1 16 . 1 1 102 102 LEU N N 102 124.100 124.100 120.303 3.797 25125 10869 1 16 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.092 -0.372 25125 10870 1 16 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.543 -1.044 25125 10871 1 16 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.044 0.017 25125 10872 1 16 . 1 1 102 102 LEU H H 102 8.901 8.901 8.770 0.131 25125 10873 1 16 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.575 0.318 25125 10874 1 16 . 1 1 103 103 PRO C C 103 175.524 175.524 175.697 -0.173 25125 10875 1 16 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.368 -0.483 25125 10876 1 16 . 1 1 103 103 PRO CB C 103 31.807 31.807 33.286 -1.479 25125 10877 1 16 . 1 1 104 104 LYS N N 104 118.848 118.848 120.197 -1.349 25125 10878 1 16 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.882 -0.369 25125 10879 1 16 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.008 0.210 25125 10880 1 16 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.026 2.718 25125 10881 1 16 . 1 1 104 104 LYS H H 104 8.279 8.279 8.194 0.085 25125 10882 1 16 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.367 -0.068 25125 10883 1 16 . 1 1 105 105 PRO C C 105 175.001 175.001 175.680 -0.679 25125 10884 1 16 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.657 -0.263 25125 10885 1 16 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.276 1.819 25125 10886 1 16 . 1 1 106 106 PHE N N 106 116.607 116.607 114.593 2.014 25125 10887 1 16 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.783 0.387 25125 10888 1 16 . 1 1 106 106 PHE C C 106 175.221 175.221 174.751 0.470 25125 10889 1 16 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.182 -2.747 25125 10890 1 16 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.829 -0.429 25125 10891 1 16 . 1 1 106 106 PHE H H 106 7.457 7.457 7.472 -0.015 25125 10892 1 16 . 1 1 107 107 ASP N N 107 122.214 122.214 124.014 -1.800 25125 10893 1 16 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.938 -0.106 25125 10894 1 16 . 1 1 107 107 ASP C C 107 177.778 177.778 176.810 0.968 25125 10895 1 16 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.658 -0.416 25125 10896 1 16 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.068 1.529 25125 10897 1 16 . 1 1 107 107 ASP H H 107 9.022 9.022 8.749 0.273 25125 10898 1 16 . 1 1 108 108 ILE N N 108 127.706 127.706 125.563 2.143 25125 10899 1 16 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.727 0.238 25125 10900 1 16 . 1 1 108 108 ILE C C 108 176.046 176.046 177.298 -1.252 25125 10901 1 16 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.084 -2.095 25125 10902 1 16 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.989 -0.235 25125 10903 1 16 . 1 1 108 108 ILE H H 108 8.860 8.860 8.659 0.201 25125 10904 1 16 . 1 1 109 109 ASP N N 109 120.058 120.058 118.857 1.201 25125 10905 1 16 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.387 0.001 25125 10906 1 16 . 1 1 109 109 ASP C C 109 179.786 179.786 179.026 0.760 25125 10907 1 16 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.770 -0.276 25125 10908 1 16 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.007 0.047 25125 10909 1 16 . 1 1 109 109 ASP H H 109 8.079 8.079 8.677 -0.598 25125 10910 1 16 . 1 1 110 110 GLU N N 110 121.559 121.559 119.719 1.840 25125 10911 1 16 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.256 -0.188 25125 10912 1 16 . 1 1 110 110 GLU C C 110 179.043 179.043 178.528 0.515 25125 10913 1 16 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.206 0.620 25125 10914 1 16 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.958 -0.615 25125 10915 1 16 . 1 1 110 110 GLU H H 110 8.012 8.012 8.014 -0.002 25125 10916 1 16 . 1 1 111 111 ALA N N 111 122.267 122.267 123.692 -1.425 25125 10917 1 16 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.124 -0.370 25125 10918 1 16 . 1 1 111 111 ALA C C 111 178.493 178.493 179.502 -1.009 25125 10919 1 16 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.332 -0.160 25125 10920 1 16 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.379 0.003 25125 10921 1 16 . 1 1 111 111 ALA H H 111 7.897 7.897 8.513 -0.616 25125 10922 1 16 . 1 1 112 112 VAL N N 112 116.527 116.527 117.767 -1.240 25125 10923 1 16 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.586 -0.419 25125 10924 1 16 . 1 1 112 112 VAL C C 112 177.201 177.201 177.868 -0.667 25125 10925 1 16 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.570 0.575 25125 10926 1 16 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.027 0.525 25125 10927 1 16 . 1 1 112 112 VAL H H 112 8.018 8.018 8.429 -0.411 25125 10928 1 16 . 1 1 113 113 ALA N N 113 119.895 119.895 120.215 -0.320 25125 10929 1 16 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.219 -0.081 25125 10930 1 16 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.074 0.758 25125 10931 1 16 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.595 -0.723 25125 10932 1 16 . 1 1 113 113 ALA H H 113 7.673 7.673 7.636 0.037 25125 10933 1 16 . 1 1 114 114 LEU N N 114 120.650 120.650 120.083 0.567 25125 10934 1 16 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.173 -0.090 25125 10935 1 16 . 1 1 114 114 LEU C C 114 178.466 178.466 178.458 0.008 25125 10936 1 16 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.461 0.559 25125 10937 1 16 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.040 -0.207 25125 10938 1 16 . 1 1 114 114 LEU H H 114 7.840 7.840 7.179 0.661 25125 10939 1 16 . 1 1 115 115 VAL N N 115 119.480 119.480 118.403 1.077 25125 10940 1 16 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.490 -0.278 25125 10941 1 16 . 1 1 115 115 VAL C C 115 177.448 177.448 177.063 0.385 25125 10942 1 16 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.905 1.296 25125 10943 1 16 . 1 1 115 115 VAL CB C 115 30.672 30.672 32.008 -1.336 25125 10944 1 16 . 1 1 115 115 VAL H H 115 7.824 7.824 8.081 -0.257 25125 10945 1 16 . 1 1 116 116 GLU N N 116 117.473 117.473 118.830 -1.357 25125 10946 1 16 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.963 -0.174 25125 10947 1 16 . 1 1 116 116 GLU C C 116 179.566 179.566 178.584 0.982 25125 10948 1 16 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.389 0.541 25125 10949 1 16 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.238 -0.142 25125 10950 1 16 . 1 1 116 116 GLU H H 116 8.465 8.465 7.717 0.748 25125 10951 1 16 . 1 1 117 117 ARG N N 117 120.128 120.128 119.573 0.555 25125 10952 1 16 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.081 -0.017 25125 10953 1 16 . 1 1 117 117 ARG C C 117 178.438 178.438 177.625 0.813 25125 10954 1 16 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.042 0.236 25125 10955 1 16 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.870 0.407 25125 10956 1 16 . 1 1 117 117 ARG H H 117 8.012 8.012 7.395 0.617 25125 10957 1 16 . 1 1 118 118 ALA N N 118 122.270 122.270 120.555 1.715 25125 10958 1 16 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.862 -0.406 25125 10959 1 16 . 1 1 118 118 ALA C C 118 178.741 178.741 178.651 0.090 25125 10960 1 16 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.160 0.418 25125 10961 1 16 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.355 -0.197 25125 10962 1 16 . 1 1 118 118 ALA H H 118 7.958 7.958 7.126 0.832 25125 10963 1 16 . 1 1 119 119 ILE N N 119 115.269 115.269 117.283 -2.014 25125 10964 1 16 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.014 -0.286 25125 10965 1 16 . 1 1 119 119 ILE C C 119 177.366 177.366 178.007 -0.641 25125 10966 1 16 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.528 -0.860 25125 10967 1 16 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.535 -0.737 25125 10968 1 16 . 1 1 119 119 ILE H H 119 7.753 7.753 7.358 0.395 25125 10969 1 16 . 1 1 120 120 SER N N 120 115.135 115.135 116.220 -1.085 25125 10970 1 16 . 1 1 120 120 SER HA H 120 4.275 4.275 4.080 0.195 25125 10971 1 16 . 1 1 120 120 SER C C 120 175.084 175.084 176.225 -1.141 25125 10972 1 16 . 1 1 120 120 SER CA C 120 59.816 59.816 61.499 -1.683 25125 10973 1 16 . 1 1 120 120 SER CB C 120 63.380 63.380 62.438 0.942 25125 10974 1 16 . 1 1 120 120 SER H H 120 7.816 7.816 8.460 -0.644 25125 10975 1 16 . 1 1 121 121 HIS N N 121 119.908 119.908 120.976 -1.068 25125 10976 1 16 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.110 0.312 25125 10977 1 16 . 1 1 121 121 HIS C C 121 175.029 175.029 176.622 -1.593 25125 10978 1 16 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.898 -1.662 25125 10979 1 16 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.625 -0.197 25125 10980 1 16 . 1 1 121 121 HIS H H 121 7.910 7.910 7.516 0.394 25125 10981 1 16 . 1 1 122 122 TYR N N 122 118.880 118.880 118.146 0.734 25125 10982 1 16 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.652 -0.226 25125 10983 1 16 . 1 1 122 122 TYR C C 122 175.276 175.276 175.187 0.089 25125 10984 1 16 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.245 0.204 25125 10985 1 16 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.263 1.341 25125 10986 1 16 . 1 1 122 122 TYR H H 122 7.766 7.766 7.915 -0.149 25125 10987 1 16 . 1 1 123 123 GLN N N 123 121.479 121.479 117.296 4.183 25125 10988 1 16 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.259 0.011 25125 10989 1 16 . 1 1 123 123 GLN C C 123 174.534 174.534 175.234 -0.700 25125 10990 1 16 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.958 -0.446 25125 10991 1 16 . 1 1 123 123 GLN CB C 123 29.768 29.768 30.834 -1.066 25125 10992 1 16 . 1 1 123 123 GLN H H 123 7.878 7.878 8.053 -0.175 25125 10993 1 17 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.635 -0.202 25125 10994 1 17 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.565 -0.001 25125 10995 1 17 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.958 2.642 25125 10996 1 17 . 1 1 3 3 ARG N N 3 121.252 121.252 120.157 1.095 25125 10997 1 17 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.122 0.243 25125 10998 1 17 . 1 1 3 3 ARG C C 3 175.634 175.634 176.076 -0.442 25125 10999 1 17 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.802 -0.811 25125 11000 1 17 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.140 1.157 25125 11001 1 17 . 1 1 3 3 ARG H H 3 8.429 8.429 7.847 0.582 25125 11002 1 17 . 1 1 4 4 GLY N N 4 107.663 107.663 106.248 1.415 25125 11003 1 17 . 1 1 4 4 GLY C C 4 171.041 171.041 173.522 -2.481 25125 11004 1 17 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.226 1.090 25125 11005 1 17 . 1 1 4 4 GLY H H 4 7.963 7.963 7.761 0.202 25125 11006 1 17 . 1 1 5 5 ILE N N 5 122.603 122.603 124.686 -2.083 25125 11007 1 17 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.006 0.693 25125 11008 1 17 . 1 1 5 5 ILE C C 5 175.359 175.359 174.999 0.360 25125 11009 1 17 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.855 -1.245 25125 11010 1 17 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.653 -0.077 25125 11011 1 17 . 1 1 5 5 ILE H H 5 9.610 9.610 7.912 1.698 25125 11012 1 17 . 1 1 6 6 VAL N N 6 127.905 127.905 124.665 3.240 25125 11013 1 17 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.045 -0.233 25125 11014 1 17 . 1 1 6 6 VAL C C 6 174.204 174.204 175.183 -0.979 25125 11015 1 17 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.229 -0.670 25125 11016 1 17 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.318 1.208 25125 11017 1 17 . 1 1 6 6 VAL H H 6 9.090 9.090 8.216 0.874 25125 11018 1 17 . 1 1 7 7 TRP N N 7 127.467 127.467 127.283 0.184 25125 11019 1 17 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.453 1.001 25125 11020 1 17 . 1 1 7 7 TRP C C 7 175.056 175.056 175.568 -0.512 25125 11021 1 17 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.263 -1.385 25125 11022 1 17 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.712 0.422 25125 11023 1 17 . 1 1 7 7 TRP H H 7 8.497 8.497 8.612 -0.115 25125 11024 1 17 . 1 1 8 8 VAL N N 8 122.068 122.068 117.151 4.917 25125 11025 1 17 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.478 0.608 25125 11026 1 17 . 1 1 8 8 VAL C C 8 173.874 173.874 173.822 0.052 25125 11027 1 17 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.467 -0.981 25125 11028 1 17 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.037 -0.322 25125 11029 1 17 . 1 1 8 8 VAL H H 8 8.583 8.583 9.217 -0.634 25125 11030 1 17 . 1 1 9 9 VAL N N 9 127.733 127.733 124.493 3.240 25125 11031 1 17 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.606 0.355 25125 11032 1 17 . 1 1 9 9 VAL C C 9 173.131 173.131 174.203 -1.072 25125 11033 1 17 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.562 -0.887 25125 11034 1 17 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.148 0.763 25125 11035 1 17 . 1 1 9 9 VAL H H 9 9.107 9.107 8.689 0.418 25125 11036 1 17 . 1 1 10 10 ASP N N 10 124.306 124.306 125.611 -1.305 25125 11037 1 17 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.910 -0.341 25125 11038 1 17 . 1 1 10 10 ASP C C 10 175.029 175.029 174.471 0.558 25125 11039 1 17 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.635 2.112 25125 11040 1 17 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.900 0.209 25125 11041 1 17 . 1 1 10 10 ASP H H 10 7.775 7.775 7.939 -0.164 25125 11042 1 17 . 1 1 11 11 ASP N N 11 126.714 126.714 117.656 9.058 25125 11043 1 17 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.983 -0.448 25125 11044 1 17 . 1 1 11 11 ASP C C 11 175.689 175.689 174.690 0.999 25125 11045 1 17 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.157 2.561 25125 11046 1 17 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.417 -0.343 25125 11047 1 17 . 1 1 11 11 ASP H H 11 9.033 9.033 8.630 0.403 25125 11048 1 17 . 1 1 12 12 ASP N N 12 121.877 121.877 119.485 2.392 25125 11049 1 17 . 1 1 12 12 ASP HA H 12 4.646 4.646 5.003 -0.357 25125 11050 1 17 . 1 1 12 12 ASP C C 12 177.036 177.036 176.619 0.417 25125 11051 1 17 . 1 1 12 12 ASP CA C 12 53.303 53.303 52.907 0.396 25125 11052 1 17 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.031 -2.867 25125 11053 1 17 . 1 1 12 12 ASP H H 12 9.570 9.570 7.988 1.582 25125 11054 1 17 . 1 1 13 13 SER N N 13 123.799 123.799 117.824 5.975 25125 11055 1 17 . 1 1 13 13 SER HA H 13 3.761 3.761 4.361 -0.600 25125 11056 1 17 . 1 1 13 13 SER C C 13 176.156 176.156 176.057 0.099 25125 11057 1 17 . 1 1 13 13 SER CA C 13 61.186 61.186 61.505 -0.320 25125 11058 1 17 . 1 1 13 13 SER CB C 13 62.749 62.749 63.238 -0.489 25125 11059 1 17 . 1 1 13 13 SER H H 13 8.850 8.850 8.831 0.019 25125 11060 1 17 . 1 1 14 14 SER N N 14 119.123 119.123 117.193 1.930 25125 11061 1 17 . 1 1 14 14 SER HA H 14 4.361 4.361 4.378 -0.017 25125 11062 1 17 . 1 1 14 14 SER C C 14 176.404 176.404 176.646 -0.242 25125 11063 1 17 . 1 1 14 14 SER CA C 14 61.730 61.730 61.355 0.375 25125 11064 1 17 . 1 1 14 14 SER CB C 14 62.548 62.548 62.756 -0.208 25125 11065 1 17 . 1 1 14 14 SER H H 14 8.531 8.531 8.545 -0.014 25125 11066 1 17 . 1 1 15 15 ILE N N 15 123.637 123.637 122.470 1.167 25125 11067 1 17 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.865 0.080 25125 11068 1 17 . 1 1 15 15 ILE C C 15 177.861 177.861 177.899 -0.038 25125 11069 1 17 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.776 -2.576 25125 11070 1 17 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.575 -0.689 25125 11071 1 17 . 1 1 15 15 ILE H H 15 7.206 7.206 8.286 -1.080 25125 11072 1 17 . 1 1 16 16 ARG N N 16 116.694 116.694 118.487 -1.793 25125 11073 1 17 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.270 -0.547 25125 11074 1 17 . 1 1 16 16 ARG C C 16 177.448 177.448 178.355 -0.907 25125 11075 1 17 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.950 2.623 25125 11076 1 17 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.142 0.305 25125 11077 1 17 . 1 1 16 16 ARG H H 16 7.562 7.562 7.605 -0.043 25125 11078 1 17 . 1 1 17 17 TRP N N 17 116.848 116.848 122.215 -5.367 25125 11079 1 17 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.419 0.052 25125 11080 1 17 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.279 0.161 25125 11081 1 17 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.531 -0.239 25125 11082 1 17 . 1 1 17 17 TRP H H 17 8.005 8.005 7.327 0.678 25125 11083 1 17 . 1 1 18 18 VAL N N 18 116.964 116.964 119.600 -2.636 25125 11084 1 17 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.710 0.965 25125 11085 1 17 . 1 1 18 18 VAL C C 18 179.181 179.181 177.557 1.624 25125 11086 1 17 . 1 1 18 18 VAL CA C 18 65.708 65.708 66.230 -0.522 25125 11087 1 17 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.744 -0.107 25125 11088 1 17 . 1 1 18 18 VAL H H 18 8.110 8.110 8.615 -0.505 25125 11089 1 17 . 1 1 19 19 LEU N N 19 120.186 120.186 117.704 2.482 25125 11090 1 17 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.120 -0.045 25125 11091 1 17 . 1 1 19 19 LEU C C 19 177.778 177.778 178.932 -1.154 25125 11092 1 17 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.394 0.428 25125 11093 1 17 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.600 0.181 25125 11094 1 17 . 1 1 19 19 LEU H H 19 8.073 8.073 7.527 0.546 25125 11095 1 17 . 1 1 20 20 GLU N N 20 120.193 120.193 119.364 0.829 25125 11096 1 17 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.043 -0.102 25125 11097 1 17 . 1 1 20 20 GLU C C 20 178.603 178.603 178.774 -0.171 25125 11098 1 17 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.182 1.428 25125 11099 1 17 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.802 -0.714 25125 11100 1 17 . 1 1 20 20 GLU H H 20 8.387 8.387 8.130 0.257 25125 11101 1 17 . 1 1 21 21 ARG N N 21 116.076 116.076 118.278 -2.202 25125 11102 1 17 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.884 0.009 25125 11103 1 17 . 1 1 21 21 ARG C C 21 179.676 179.676 178.529 1.147 25125 11104 1 17 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.242 1.207 25125 11105 1 17 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.600 1.253 25125 11106 1 17 . 1 1 21 21 ARG H H 21 7.602 7.602 7.931 -0.329 25125 11107 1 17 . 1 1 22 22 ALA N N 22 122.405 122.405 121.904 0.501 25125 11108 1 17 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.083 0.014 25125 11109 1 17 . 1 1 22 22 ALA C C 22 180.501 180.501 179.553 0.948 25125 11110 1 17 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.817 -0.239 25125 11111 1 17 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.098 1.134 25125 11112 1 17 . 1 1 22 22 ALA H H 22 7.992 7.992 7.528 0.464 25125 11113 1 17 . 1 1 23 23 LEU N N 23 118.026 118.026 117.427 0.599 25125 11114 1 17 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.274 -0.273 25125 11115 1 17 . 1 1 23 23 LEU C C 23 178.878 178.878 179.103 -0.225 25125 11116 1 17 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.991 1.730 25125 11117 1 17 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.858 -2.204 25125 11118 1 17 . 1 1 23 23 LEU H H 23 8.825 8.825 7.492 1.333 25125 11119 1 17 . 1 1 24 24 ALA N N 24 122.159 122.159 122.606 -0.447 25125 11120 1 17 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.034 0.599 25125 11121 1 17 . 1 1 24 24 ALA C C 24 183.141 183.141 178.690 4.451 25125 11122 1 17 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.470 0.277 25125 11123 1 17 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.583 -0.881 25125 11124 1 17 . 1 1 24 24 ALA H H 24 8.125 8.125 8.143 -0.018 25125 11125 1 17 . 1 1 25 25 GLY N N 25 106.891 106.891 105.317 1.574 25125 11126 1 17 . 1 1 25 25 GLY C C 25 174.286 174.286 174.104 0.182 25125 11127 1 17 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.975 1.446 25125 11128 1 17 . 1 1 25 25 GLY H H 25 7.870 7.870 7.814 0.056 25125 11129 1 17 . 1 1 26 26 ALA N N 26 121.819 121.819 123.393 -1.574 25125 11130 1 17 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.619 -0.120 25125 11131 1 17 . 1 1 26 26 ALA C C 26 176.953 176.953 177.285 -0.332 25125 11132 1 17 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.265 0.254 25125 11133 1 17 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.206 -1.484 25125 11134 1 17 . 1 1 26 26 ALA H H 26 7.285 7.285 7.146 0.139 25125 11135 1 17 . 1 1 27 27 GLY N N 27 106.197 106.197 106.915 -0.718 25125 11136 1 17 . 1 1 27 27 GLY C C 27 173.956 173.956 173.161 0.795 25125 11137 1 17 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.967 0.349 25125 11138 1 17 . 1 1 27 27 GLY H H 27 7.824 7.824 8.359 -0.535 25125 11139 1 17 . 1 1 28 28 LEU N N 28 120.291 120.291 119.073 1.218 25125 11140 1 17 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.874 -0.299 25125 11141 1 17 . 1 1 28 28 LEU C C 28 175.881 175.881 176.040 -0.159 25125 11142 1 17 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.865 0.778 25125 11143 1 17 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.600 -2.115 25125 11144 1 17 . 1 1 28 28 LEU H H 28 7.678 7.678 7.180 0.498 25125 11145 1 17 . 1 1 29 29 THR N N 29 118.040 118.040 117.666 0.374 25125 11146 1 17 . 1 1 29 29 THR HA H 29 4.335 4.335 4.359 -0.024 25125 11147 1 17 . 1 1 29 29 THR C C 29 173.186 173.186 173.988 -0.802 25125 11148 1 17 . 1 1 29 29 THR CA C 29 62.479 62.479 63.462 -0.983 25125 11149 1 17 . 1 1 29 29 THR CB C 29 69.465 69.465 69.288 0.177 25125 11150 1 17 . 1 1 29 29 THR H H 29 8.527 8.527 8.547 -0.020 25125 11151 1 17 . 1 1 30 30 CYS N N 30 128.387 128.387 124.837 3.550 25125 11152 1 17 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.673 0.270 25125 11153 1 17 . 1 1 30 30 CYS C C 30 173.846 173.846 174.375 -0.529 25125 11154 1 17 . 1 1 30 30 CYS CA C 30 56.362 56.362 55.991 0.371 25125 11155 1 17 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.378 0.102 25125 11156 1 17 . 1 1 30 30 CYS H H 30 8.968 8.968 8.418 0.550 25125 11157 1 17 . 1 1 31 31 THR N N 31 126.481 126.481 123.345 3.136 25125 11158 1 17 . 1 1 31 31 THR HA H 31 4.433 4.433 4.366 0.067 25125 11159 1 17 . 1 1 31 31 THR C C 31 172.609 172.609 173.395 -0.786 25125 11160 1 17 . 1 1 31 31 THR CA C 31 61.951 61.951 61.577 0.374 25125 11161 1 17 . 1 1 31 31 THR CB C 31 70.567 70.567 69.687 0.880 25125 11162 1 17 . 1 1 31 31 THR H H 31 8.614 8.614 8.412 0.202 25125 11163 1 17 . 1 1 32 32 THR N N 32 116.418 116.418 118.801 -2.383 25125 11164 1 17 . 1 1 32 32 THR HA H 32 5.330 5.330 4.768 0.562 25125 11165 1 17 . 1 1 32 32 THR C C 32 172.306 172.306 173.448 -1.142 25125 11166 1 17 . 1 1 32 32 THR CA C 32 59.173 59.173 60.887 -1.714 25125 11167 1 17 . 1 1 32 32 THR CB C 32 70.917 70.917 70.078 0.839 25125 11168 1 17 . 1 1 32 32 THR H H 32 8.299 8.299 8.224 0.075 25125 11169 1 17 . 1 1 33 33 PHE N N 33 118.067 118.067 124.248 -6.181 25125 11170 1 17 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.709 -0.066 25125 11171 1 17 . 1 1 33 33 PHE C C 33 174.341 174.341 175.305 -0.964 25125 11172 1 17 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.190 0.342 25125 11173 1 17 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.296 1.013 25125 11174 1 17 . 1 1 33 33 PHE H H 33 8.890 8.890 8.760 0.130 25125 11175 1 17 . 1 1 34 34 GLU N N 34 118.499 118.499 115.781 2.718 25125 11176 1 17 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.788 -0.434 25125 11177 1 17 . 1 1 34 34 GLU C C 34 175.414 175.414 175.131 0.283 25125 11178 1 17 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.501 1.191 25125 11179 1 17 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.731 0.736 25125 11180 1 17 . 1 1 34 34 GLU H H 34 9.023 9.023 8.650 0.373 25125 11181 1 17 . 1 1 35 35 ASN N N 35 109.907 109.907 118.209 -8.302 25125 11182 1 17 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.890 -0.109 25125 11183 1 17 . 1 1 35 35 ASN C C 35 175.139 175.139 175.771 -0.632 25125 11184 1 17 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.248 -1.101 25125 11185 1 17 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.126 0.197 25125 11186 1 17 . 1 1 35 35 ASN H H 35 7.401 7.401 7.621 -0.220 25125 11187 1 17 . 1 1 36 36 GLY N N 36 106.739 106.739 112.438 -5.699 25125 11188 1 17 . 1 1 36 36 GLY C C 36 174.616 174.616 175.051 -0.435 25125 11189 1 17 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.580 -0.564 25125 11190 1 17 . 1 1 36 36 GLY H H 36 8.877 8.877 9.071 -0.194 25125 11191 1 17 . 1 1 37 37 ASN N N 37 120.462 120.462 117.680 2.782 25125 11192 1 17 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.417 -0.055 25125 11193 1 17 . 1 1 37 37 ASN C C 37 178.686 178.686 177.344 1.342 25125 11194 1 17 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.457 1.075 25125 11195 1 17 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.101 -0.517 25125 11196 1 17 . 1 1 37 37 ASN H H 37 8.366 8.366 8.693 -0.327 25125 11197 1 17 . 1 1 38 38 GLU N N 38 119.360 119.360 118.409 0.951 25125 11198 1 17 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.229 -0.159 25125 11199 1 17 . 1 1 38 38 GLU C C 38 179.263 179.263 177.348 1.915 25125 11200 1 17 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.767 0.865 25125 11201 1 17 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.078 0.454 25125 11202 1 17 . 1 1 38 38 GLU H H 38 7.990 7.990 7.968 0.022 25125 11203 1 17 . 1 1 39 39 VAL N N 39 119.259 119.259 118.976 0.283 25125 11204 1 17 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.060 -0.292 25125 11205 1 17 . 1 1 39 39 VAL C C 39 176.431 176.431 177.197 -0.766 25125 11206 1 17 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.217 -0.274 25125 11207 1 17 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.974 -0.898 25125 11208 1 17 . 1 1 39 39 VAL H H 39 6.883 6.883 7.374 -0.491 25125 11209 1 17 . 1 1 40 40 LEU N N 40 119.627 119.627 121.361 -1.734 25125 11210 1 17 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.962 -0.035 25125 11211 1 17 . 1 1 40 40 LEU C C 40 179.538 179.538 177.968 1.570 25125 11212 1 17 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.097 -0.157 25125 11213 1 17 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.474 -0.406 25125 11214 1 17 . 1 1 40 40 LEU H H 40 7.692 7.692 8.265 -0.573 25125 11215 1 17 . 1 1 41 41 ALA N N 41 120.051 120.051 120.098 -0.047 25125 11216 1 17 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.137 0.003 25125 11217 1 17 . 1 1 41 41 ALA C C 41 180.528 180.528 179.382 1.146 25125 11218 1 17 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.467 0.183 25125 11219 1 17 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.894 -0.028 25125 11220 1 17 . 1 1 41 41 ALA H H 41 7.553 7.553 7.882 -0.329 25125 11221 1 17 . 1 1 42 42 ALA N N 42 122.731 122.731 121.984 0.747 25125 11222 1 17 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.154 0.045 25125 11223 1 17 . 1 1 42 42 ALA C C 42 180.198 180.198 180.291 -0.093 25125 11224 1 17 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.455 0.578 25125 11225 1 17 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.334 1.065 25125 11226 1 17 . 1 1 42 42 ALA H H 42 7.604 7.604 7.176 0.428 25125 11227 1 17 . 1 1 43 43 LEU N N 43 119.131 119.131 118.588 0.543 25125 11228 1 17 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.986 1.220 25125 11229 1 17 . 1 1 43 43 LEU C C 43 177.421 177.421 178.931 -1.510 25125 11230 1 17 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.473 -1.928 25125 11231 1 17 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.105 1.499 25125 11232 1 17 . 1 1 43 43 LEU H H 43 8.288 8.288 8.043 0.245 25125 11233 1 17 . 1 1 44 44 ALA N N 44 119.065 119.065 119.030 0.035 25125 11234 1 17 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.210 0.019 25125 11235 1 17 . 1 1 44 44 ALA C C 44 178.686 178.686 178.367 0.319 25125 11236 1 17 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.774 0.464 25125 11237 1 17 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.364 0.152 25125 11238 1 17 . 1 1 44 44 ALA H H 44 7.302 7.302 7.804 -0.502 25125 11239 1 17 . 1 1 45 45 SER N N 45 108.656 108.656 115.095 -6.439 25125 11240 1 17 . 1 1 45 45 SER HA H 45 4.742 4.742 4.329 0.413 25125 11241 1 17 . 1 1 45 45 SER C C 45 173.296 173.296 176.471 -3.175 25125 11242 1 17 . 1 1 45 45 SER CA C 45 58.656 58.656 60.809 -2.153 25125 11243 1 17 . 1 1 45 45 SER CB C 45 65.407 65.407 63.826 1.581 25125 11244 1 17 . 1 1 45 45 SER H H 45 7.728 7.728 8.148 -0.420 25125 11245 1 17 . 1 1 46 46 LYS N N 46 123.016 123.016 116.911 6.105 25125 11246 1 17 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.621 -0.035 25125 11247 1 17 . 1 1 46 46 LYS C C 46 172.719 172.719 175.577 -2.858 25125 11248 1 17 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.386 -0.874 25125 11249 1 17 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.924 2.301 25125 11250 1 17 . 1 1 46 46 LYS H H 46 8.101 8.101 7.874 0.227 25125 11251 1 17 . 1 1 47 47 THR N N 47 111.780 111.780 113.724 -1.944 25125 11252 1 17 . 1 1 47 47 THR HA H 47 4.282 4.282 3.846 0.436 25125 11253 1 17 . 1 1 47 47 THR CA C 47 57.806 57.806 62.248 -4.442 25125 11254 1 17 . 1 1 47 47 THR CB C 47 70.594 70.594 67.872 2.722 25125 11255 1 17 . 1 1 47 47 THR H H 47 7.677 7.677 7.768 -0.091 25125 11256 1 17 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.912 -0.007 25125 11257 1 17 . 1 1 48 48 PRO C C 48 172.966 172.966 175.313 -2.347 25125 11258 1 17 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.404 -1.540 25125 11259 1 17 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.523 -1.246 25125 11260 1 17 . 1 1 49 49 ASP N N 49 115.035 115.035 117.994 -2.959 25125 11261 1 17 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.781 -0.337 25125 11262 1 17 . 1 1 49 49 ASP C C 49 175.634 175.634 175.086 0.548 25125 11263 1 17 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.620 1.827 25125 11264 1 17 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.270 0.242 25125 11265 1 17 . 1 1 49 49 ASP H H 49 8.502 8.502 8.134 0.368 25125 11266 1 17 . 1 1 50 50 VAL N N 50 112.082 112.082 115.066 -2.984 25125 11267 1 17 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.401 -0.121 25125 11268 1 17 . 1 1 50 50 VAL C C 50 171.454 171.454 172.748 -1.294 25125 11269 1 17 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.261 -0.699 25125 11270 1 17 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.531 1.105 25125 11271 1 17 . 1 1 50 50 VAL H H 50 7.173 7.173 7.074 0.099 25125 11272 1 17 . 1 1 51 51 LEU N N 51 128.247 128.247 125.452 2.795 25125 11273 1 17 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.291 0.028 25125 11274 1 17 . 1 1 51 51 LEU C C 51 173.104 173.104 175.176 -2.072 25125 11275 1 17 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.161 0.057 25125 11276 1 17 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.243 0.263 25125 11277 1 17 . 1 1 51 51 LEU H H 51 8.059 8.059 8.361 -0.302 25125 11278 1 17 . 1 1 52 52 LEU N N 52 128.407 128.407 120.764 7.643 25125 11279 1 17 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.975 0.526 25125 11280 1 17 . 1 1 52 52 LEU C C 52 175.414 175.414 175.891 -0.477 25125 11281 1 17 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.373 -0.050 25125 11282 1 17 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.187 1.334 25125 11283 1 17 . 1 1 52 52 LEU H H 52 9.242 9.242 8.307 0.935 25125 11284 1 17 . 1 1 53 53 SER N N 53 114.946 114.946 116.807 -1.861 25125 11285 1 17 . 1 1 53 53 SER HA H 53 5.595 5.595 4.428 1.167 25125 11286 1 17 . 1 1 53 53 SER C C 53 174.644 174.644 174.213 0.431 25125 11287 1 17 . 1 1 53 53 SER CA C 53 55.954 55.954 57.903 -1.949 25125 11288 1 17 . 1 1 53 53 SER CB C 53 66.473 66.473 64.249 2.224 25125 11289 1 17 . 1 1 53 53 SER H H 53 8.695 8.695 7.912 0.783 25125 11290 1 17 . 1 1 54 54 ASP N N 54 128.341 128.341 124.482 3.859 25125 11291 1 17 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.797 0.528 25125 11292 1 17 . 1 1 54 54 ASP C C 54 176.816 176.816 176.461 0.355 25125 11293 1 17 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.383 1.110 25125 11294 1 17 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.999 0.329 25125 11295 1 17 . 1 1 54 54 ASP H H 54 7.886 7.886 8.209 -0.323 25125 11296 1 17 . 1 1 55 55 ILE N N 55 121.229 121.229 117.485 3.744 25125 11297 1 17 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.663 0.522 25125 11298 1 17 . 1 1 55 55 ILE C C 55 175.084 175.084 174.858 0.226 25125 11299 1 17 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.968 -0.425 25125 11300 1 17 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.484 3.545 25125 11301 1 17 . 1 1 55 55 ILE H H 55 8.722 8.722 8.253 0.469 25125 11302 1 17 . 1 1 56 56 ARG N N 56 124.188 124.188 120.924 3.264 25125 11303 1 17 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.362 0.143 25125 11304 1 17 . 1 1 56 56 ARG C C 56 175.661 175.661 175.564 0.097 25125 11305 1 17 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.162 -0.721 25125 11306 1 17 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.525 -1.163 25125 11307 1 17 . 1 1 56 56 ARG H H 56 8.499 8.499 8.398 0.101 25125 11308 1 17 . 1 1 57 57 MET N N 57 122.581 122.581 119.808 2.773 25125 11309 1 17 . 1 1 57 57 MET HA H 57 4.821 4.821 4.759 0.062 25125 11310 1 17 . 1 1 57 57 MET CA C 57 53.132 53.132 53.803 -0.671 25125 11311 1 17 . 1 1 57 57 MET CB C 57 33.445 33.445 32.377 1.068 25125 11312 1 17 . 1 1 57 57 MET H H 57 7.956 7.956 7.760 0.196 25125 11313 1 17 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.408 -0.015 25125 11314 1 17 . 1 1 58 58 PRO C C 58 177.806 177.806 178.411 -0.605 25125 11315 1 17 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.228 -0.729 25125 11316 1 17 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.932 -0.125 25125 11317 1 17 . 1 1 59 59 GLY N N 59 111.082 111.082 108.526 2.556 25125 11318 1 17 . 1 1 59 59 GLY C C 59 173.626 173.626 174.575 -0.949 25125 11319 1 17 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.145 0.445 25125 11320 1 17 . 1 1 59 59 GLY H H 59 8.653 8.653 7.788 0.865 25125 11321 1 17 . 1 1 60 60 MET N N 60 120.052 120.052 120.937 -0.885 25125 11322 1 17 . 1 1 60 60 MET HA H 60 4.525 4.525 4.326 0.199 25125 11323 1 17 . 1 1 60 60 MET C C 60 173.956 173.956 176.429 -2.473 25125 11324 1 17 . 1 1 60 60 MET CA C 60 55.047 55.047 55.728 -0.681 25125 11325 1 17 . 1 1 60 60 MET CB C 60 34.506 34.506 33.307 1.199 25125 11326 1 17 . 1 1 60 60 MET H H 60 7.968 7.968 8.015 -0.047 25125 11327 1 17 . 1 1 61 61 ASP N N 61 121.306 121.306 123.221 -1.915 25125 11328 1 17 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.433 0.271 25125 11329 1 17 . 1 1 61 61 ASP C C 61 176.761 176.761 177.808 -1.047 25125 11330 1 17 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.559 -1.830 25125 11331 1 17 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.295 -0.226 25125 11332 1 17 . 1 1 61 61 ASP H H 61 8.379 8.379 8.558 -0.179 25125 11333 1 17 . 1 1 62 62 GLY N N 62 110.874 110.874 106.795 4.079 25125 11334 1 17 . 1 1 62 62 GLY C C 62 175.194 175.194 175.516 -0.322 25125 11335 1 17 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.031 1.070 25125 11336 1 17 . 1 1 62 62 GLY H H 62 8.707 8.707 8.176 0.531 25125 11337 1 17 . 1 1 63 63 LEU N N 63 121.299 121.299 119.902 1.397 25125 11338 1 17 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.451 -0.274 25125 11339 1 17 . 1 1 63 63 LEU C C 63 178.356 178.356 178.150 0.206 25125 11340 1 17 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.629 1.249 25125 11341 1 17 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.394 0.844 25125 11342 1 17 . 1 1 63 63 LEU H H 63 8.045 8.045 7.476 0.569 25125 11343 1 17 . 1 1 64 64 ALA N N 64 122.741 122.741 122.797 -0.056 25125 11344 1 17 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.072 -0.010 25125 11345 1 17 . 1 1 64 64 ALA C C 64 180.556 180.556 179.197 1.359 25125 11346 1 17 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.128 -0.513 25125 11347 1 17 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.090 -0.090 25125 11348 1 17 . 1 1 64 64 ALA H H 64 7.859 7.859 8.198 -0.339 25125 11349 1 17 . 1 1 65 65 LEU N N 65 120.287 120.287 114.165 6.122 25125 11350 1 17 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.392 -0.330 25125 11351 1 17 . 1 1 65 65 LEU C C 65 178.191 178.191 178.319 -0.128 25125 11352 1 17 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.314 1.705 25125 11353 1 17 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.281 -1.042 25125 11354 1 17 . 1 1 65 65 LEU H H 65 8.022 8.022 7.763 0.259 25125 11355 1 17 . 1 1 66 66 LEU N N 66 118.738 118.738 120.136 -1.398 25125 11356 1 17 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.195 -0.337 25125 11357 1 17 . 1 1 66 66 LEU C C 66 178.631 178.631 178.764 -0.133 25125 11358 1 17 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.428 1.918 25125 11359 1 17 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.950 0.288 25125 11360 1 17 . 1 1 66 66 LEU H H 66 8.101 8.101 7.724 0.377 25125 11361 1 17 . 1 1 67 67 LYS N N 67 117.842 117.842 117.508 0.334 25125 11362 1 17 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.113 -0.131 25125 11363 1 17 . 1 1 67 67 LYS C C 67 179.263 179.263 178.696 0.567 25125 11364 1 17 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.655 1.142 25125 11365 1 17 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.969 0.238 25125 11366 1 17 . 1 1 67 67 LYS H H 67 8.010 8.010 8.341 -0.331 25125 11367 1 17 . 1 1 68 68 GLN N N 68 118.875 118.875 117.743 1.132 25125 11368 1 17 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.276 -0.220 25125 11369 1 17 . 1 1 68 68 GLN C C 68 179.071 179.071 177.622 1.449 25125 11370 1 17 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.185 0.888 25125 11371 1 17 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.860 -0.249 25125 11372 1 17 . 1 1 68 68 GLN H H 68 7.809 7.809 7.523 0.286 25125 11373 1 17 . 1 1 69 69 ILE N N 69 120.377 120.377 121.458 -1.081 25125 11374 1 17 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.985 -0.455 25125 11375 1 17 . 1 1 69 69 ILE C C 69 177.421 177.421 178.064 -0.643 25125 11376 1 17 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.708 1.170 25125 11377 1 17 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.507 0.077 25125 11378 1 17 . 1 1 69 69 ILE H H 69 8.481 8.481 7.517 0.964 25125 11379 1 17 . 1 1 70 70 LYS N N 70 117.873 117.873 118.170 -0.297 25125 11380 1 17 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.167 -0.207 25125 11381 1 17 . 1 1 70 70 LYS C C 70 178.053 178.053 177.595 0.458 25125 11382 1 17 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.334 -1.246 25125 11383 1 17 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.005 -0.793 25125 11384 1 17 . 1 1 70 70 LYS H H 70 8.220 8.220 7.839 0.381 25125 11385 1 17 . 1 1 71 71 GLN N N 71 116.315 116.315 117.144 -0.829 25125 11386 1 17 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.203 -0.211 25125 11387 1 17 . 1 1 71 71 GLN C C 71 177.366 177.366 177.897 -0.531 25125 11388 1 17 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.621 0.569 25125 11389 1 17 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.235 -0.570 25125 11390 1 17 . 1 1 71 71 GLN H H 71 7.601 7.601 7.403 0.198 25125 11391 1 17 . 1 1 72 72 ARG N N 72 116.530 116.530 117.294 -0.764 25125 11392 1 17 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.069 -0.039 25125 11393 1 17 . 1 1 72 72 ARG C C 72 175.826 175.826 175.912 -0.086 25125 11394 1 17 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.251 -0.029 25125 11395 1 17 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.763 0.039 25125 11396 1 17 . 1 1 72 72 ARG H H 72 7.301 7.301 8.191 -0.890 25125 11397 1 17 . 1 1 73 73 HIS N N 73 116.755 116.755 115.479 1.276 25125 11398 1 17 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.001 -0.041 25125 11399 1 17 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.306 -0.088 25125 11400 1 17 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.718 -0.156 25125 11401 1 17 . 1 1 73 73 HIS H H 73 8.331 8.331 7.898 0.433 25125 11402 1 17 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.496 0.003 25125 11403 1 17 . 1 1 74 74 PRO C C 74 178.466 178.466 177.620 0.846 25125 11404 1 17 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.850 0.263 25125 11405 1 17 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.151 -0.056 25125 11406 1 17 . 1 1 75 75 MET N N 75 114.814 114.814 114.361 0.453 25125 11407 1 17 . 1 1 75 75 MET HA H 75 4.567 4.567 4.451 0.116 25125 11408 1 17 . 1 1 75 75 MET C C 75 176.046 176.046 175.443 0.603 25125 11409 1 17 . 1 1 75 75 MET CA C 75 54.266 54.266 54.820 -0.554 25125 11410 1 17 . 1 1 75 75 MET CB C 75 31.288 31.288 31.428 -0.140 25125 11411 1 17 . 1 1 75 75 MET H H 75 8.623 8.623 7.857 0.766 25125 11412 1 17 . 1 1 76 76 LEU N N 76 125.533 125.533 123.687 1.846 25125 11413 1 17 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.682 -0.377 25125 11414 1 17 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.648 1.464 25125 11415 1 17 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.950 0.735 25125 11416 1 17 . 1 1 76 76 LEU H H 76 7.337 7.337 7.076 0.261 25125 11417 1 17 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.481 -0.035 25125 11418 1 17 . 1 1 77 77 PRO C C 77 174.974 174.974 175.221 -0.247 25125 11419 1 17 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.506 0.321 25125 11420 1 17 . 1 1 77 77 PRO CB C 77 31.722 31.722 31.979 -0.257 25125 11421 1 17 . 1 1 78 78 VAL N N 78 123.779 123.779 122.902 0.877 25125 11422 1 17 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.326 0.698 25125 11423 1 17 . 1 1 78 78 VAL C C 78 175.441 175.441 175.234 0.207 25125 11424 1 17 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.563 -0.370 25125 11425 1 17 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.456 -1.162 25125 11426 1 17 . 1 1 78 78 VAL H H 78 8.317 8.317 8.175 0.142 25125 11427 1 17 . 1 1 79 79 ILE N N 79 128.334 128.334 121.240 7.094 25125 11428 1 17 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.749 -0.268 25125 11429 1 17 . 1 1 79 79 ILE C C 79 174.479 174.479 174.564 -0.085 25125 11430 1 17 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.039 -0.517 25125 11431 1 17 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.859 -1.896 25125 11432 1 17 . 1 1 79 79 ILE H H 79 9.292 9.292 8.507 0.785 25125 11433 1 17 . 1 1 80 80 ILE N N 80 127.023 127.023 126.139 0.884 25125 11434 1 17 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.314 0.545 25125 11435 1 17 . 1 1 80 80 ILE C C 80 175.029 175.029 175.615 -0.586 25125 11436 1 17 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.509 -1.352 25125 11437 1 17 . 1 1 80 80 ILE CB C 80 37.944 37.944 37.319 0.625 25125 11438 1 17 . 1 1 80 80 ILE H H 80 7.938 7.938 8.679 -0.741 25125 11439 1 17 . 1 1 81 81 MET N N 81 127.255 127.255 128.670 -1.415 25125 11440 1 17 . 1 1 81 81 MET HA H 81 5.521 5.521 5.027 0.494 25125 11441 1 17 . 1 1 81 81 MET C C 81 174.534 174.534 174.950 -0.416 25125 11442 1 17 . 1 1 81 81 MET CA C 81 53.513 53.513 55.665 -2.152 25125 11443 1 17 . 1 1 81 81 MET CB C 81 35.483 35.483 34.463 1.020 25125 11444 1 17 . 1 1 81 81 MET H H 81 8.801 8.801 8.627 0.174 25125 11445 1 17 . 1 1 82 82 THR N N 82 112.857 112.857 120.848 -7.991 25125 11446 1 17 . 1 1 82 82 THR HA H 82 4.914 4.914 4.353 0.561 25125 11447 1 17 . 1 1 82 82 THR C C 82 172.581 172.581 173.190 -0.609 25125 11448 1 17 . 1 1 82 82 THR CA C 82 59.561 59.561 61.965 -2.405 25125 11449 1 17 . 1 1 82 82 THR CB C 82 69.989 69.989 69.356 0.633 25125 11450 1 17 . 1 1 82 82 THR H H 82 7.623 7.623 8.139 -0.516 25125 11451 1 17 . 1 1 83 83 ALA N N 83 129.541 129.541 122.880 6.661 25125 11452 1 17 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.756 0.952 25125 11453 1 17 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.354 -0.816 25125 11454 1 17 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.780 1.367 25125 11455 1 17 . 1 1 83 83 ALA H H 83 9.149 9.149 7.875 1.274 25125 11456 1 17 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.212 0.060 25125 11457 1 17 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.956 3.744 25125 11458 1 17 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.541 1.477 25125 11459 1 17 . 1 1 85 85 SER N N 85 112.633 112.633 115.711 -3.078 25125 11460 1 17 . 1 1 85 85 SER HA H 85 4.198 4.198 4.174 0.024 25125 11461 1 17 . 1 1 85 85 SER C C 85 174.506 174.506 176.029 -1.523 25125 11462 1 17 . 1 1 85 85 SER CA C 85 59.823 59.823 61.553 -1.730 25125 11463 1 17 . 1 1 85 85 SER CB C 85 62.693 62.693 62.669 0.024 25125 11464 1 17 . 1 1 85 85 SER H H 85 8.224 8.224 8.711 -0.487 25125 11465 1 17 . 1 1 86 86 ASP N N 86 120.886 120.886 121.933 -1.047 25125 11466 1 17 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.275 0.661 25125 11467 1 17 . 1 1 86 86 ASP C C 86 175.881 175.881 178.250 -2.369 25125 11468 1 17 . 1 1 86 86 ASP CA C 86 53.934 53.934 57.252 -3.318 25125 11469 1 17 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.431 1.572 25125 11470 1 17 . 1 1 86 86 ASP H H 86 7.608 7.608 7.931 -0.323 25125 11471 1 17 . 1 1 87 87 LEU N N 87 121.913 121.913 118.665 3.248 25125 11472 1 17 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.801 0.118 25125 11473 1 17 . 1 1 87 87 LEU C C 87 177.586 177.586 177.690 -0.104 25125 11474 1 17 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.729 0.108 25125 11475 1 17 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.891 0.424 25125 11476 1 17 . 1 1 87 87 LEU H H 87 7.498 7.498 7.801 -0.303 25125 11477 1 17 . 1 1 88 88 ASP N N 88 117.621 117.621 118.493 -0.872 25125 11478 1 17 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.290 -0.018 25125 11479 1 17 . 1 1 88 88 ASP C C 88 178.246 178.246 177.442 0.804 25125 11480 1 17 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.343 -0.533 25125 11481 1 17 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.867 -0.733 25125 11482 1 17 . 1 1 88 88 ASP H H 88 8.322 8.322 7.966 0.356 25125 11483 1 17 . 1 1 89 89 ALA N N 89 122.874 122.874 119.937 2.937 25125 11484 1 17 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.355 -0.261 25125 11485 1 17 . 1 1 89 89 ALA C C 89 179.346 179.346 178.805 0.541 25125 11486 1 17 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.164 -0.011 25125 11487 1 17 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.780 -0.520 25125 11488 1 17 . 1 1 89 89 ALA H H 89 7.838 7.838 7.229 0.609 25125 11489 1 17 . 1 1 90 90 ALA N N 90 121.673 121.673 121.890 -0.217 25125 11490 1 17 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.412 -0.479 25125 11491 1 17 . 1 1 90 90 ALA C C 90 178.686 178.686 179.606 -0.920 25125 11492 1 17 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.164 0.499 25125 11493 1 17 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.354 0.028 25125 11494 1 17 . 1 1 90 90 ALA H H 90 7.896 7.896 7.441 0.455 25125 11495 1 17 . 1 1 91 91 VAL N N 91 117.749 117.749 118.332 -0.583 25125 11496 1 17 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.018 -0.406 25125 11497 1 17 . 1 1 91 91 VAL C C 91 178.411 178.411 177.355 1.056 25125 11498 1 17 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.834 -1.653 25125 11499 1 17 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.600 0.037 25125 11500 1 17 . 1 1 91 91 VAL H H 91 8.098 8.098 8.593 -0.495 25125 11501 1 17 . 1 1 92 92 SER N N 92 114.942 114.942 113.668 1.274 25125 11502 1 17 . 1 1 92 92 SER HA H 92 4.231 4.231 4.479 -0.248 25125 11503 1 17 . 1 1 92 92 SER C C 92 175.826 175.826 175.454 0.372 25125 11504 1 17 . 1 1 92 92 SER CA C 92 60.649 60.649 59.811 0.838 25125 11505 1 17 . 1 1 92 92 SER CB C 92 63.063 63.063 64.430 -1.367 25125 11506 1 17 . 1 1 92 92 SER H H 92 7.825 7.825 8.163 -0.338 25125 11507 1 17 . 1 1 93 93 ALA N N 93 122.580 122.580 123.322 -0.742 25125 11508 1 17 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.249 -0.192 25125 11509 1 17 . 1 1 93 93 ALA C C 93 178.906 178.906 179.463 -0.557 25125 11510 1 17 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.561 -0.244 25125 11511 1 17 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.704 -0.407 25125 11512 1 17 . 1 1 93 93 ALA H H 93 7.861 7.861 7.598 0.263 25125 11513 1 17 . 1 1 94 94 TYR N N 94 118.447 118.447 120.760 -2.313 25125 11514 1 17 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.268 0.224 25125 11515 1 17 . 1 1 94 94 TYR C C 94 177.393 177.393 177.496 -0.103 25125 11516 1 17 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.008 -0.757 25125 11517 1 17 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.392 0.042 25125 11518 1 17 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125 11519 1 17 . 1 1 95 95 GLN N N 95 119.787 119.787 115.855 3.932 25125 11520 1 17 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.036 0.007 25125 11521 1 17 . 1 1 95 95 GLN C C 95 176.981 176.981 176.572 0.409 25125 11522 1 17 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.952 0.514 25125 11523 1 17 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.767 0.322 25125 11524 1 17 . 1 1 95 95 GLN H H 95 8.271 8.271 7.978 0.293 25125 11525 1 17 . 1 1 96 96 GLN N N 96 117.878 117.878 118.566 -0.688 25125 11526 1 17 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.231 0.114 25125 11527 1 17 . 1 1 96 96 GLN C C 96 175.854 175.854 175.975 -0.121 25125 11528 1 17 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.359 -0.188 25125 11529 1 17 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.308 0.167 25125 11530 1 17 . 1 1 96 96 GLN H H 96 7.944 7.944 7.799 0.145 25125 11531 1 17 . 1 1 97 97 GLY N N 97 106.670 106.670 105.398 1.272 25125 11532 1 17 . 1 1 97 97 GLY C C 97 174.231 174.231 173.029 1.202 25125 11533 1 17 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.755 0.730 25125 11534 1 17 . 1 1 97 97 GLY H H 97 7.949 7.949 7.900 0.049 25125 11535 1 17 . 1 1 98 98 ALA N N 98 122.898 122.898 120.587 2.311 25125 11536 1 17 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.397 -0.022 25125 11537 1 17 . 1 1 98 98 ALA C C 98 175.991 175.991 175.647 0.344 25125 11538 1 17 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.029 2.139 25125 11539 1 17 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.347 -1.378 25125 11540 1 17 . 1 1 98 98 ALA H H 98 7.808 7.808 7.122 0.686 25125 11541 1 17 . 1 1 99 99 PHE N N 99 123.484 123.484 119.252 4.232 25125 11542 1 17 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.430 -0.080 25125 11543 1 17 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.677 1.779 25125 11544 1 17 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.116 -0.676 25125 11545 1 17 . 1 1 99 99 PHE H H 99 7.704 7.704 8.261 -0.557 25125 11546 1 17 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.876 0.628 25125 11547 1 17 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.955 -1.473 25125 11548 1 17 . 1 1 100 100 ASP CB C 100 44.200 44.200 39.950 4.250 25125 11549 1 17 . 1 1 101 101 TYR N N 101 118.148 118.148 121.427 -3.279 25125 11550 1 17 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.455 0.993 25125 11551 1 17 . 1 1 101 101 TYR C C 101 173.159 173.159 174.618 -1.459 25125 11552 1 17 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.174 -0.187 25125 11553 1 17 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.779 3.119 25125 11554 1 17 . 1 1 101 101 TYR H H 101 9.546 9.546 7.394 2.152 25125 11555 1 17 . 1 1 102 102 LEU N N 102 124.100 124.100 120.545 3.555 25125 11556 1 17 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.035 -0.315 25125 11557 1 17 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.198 -0.699 25125 11558 1 17 . 1 1 102 102 LEU CB C 102 45.061 45.061 44.182 0.879 25125 11559 1 17 . 1 1 102 102 LEU H H 102 8.901 8.901 8.196 0.705 25125 11560 1 17 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.617 0.276 25125 11561 1 17 . 1 1 103 103 PRO C C 103 175.524 175.524 175.760 -0.236 25125 11562 1 17 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.487 -0.602 25125 11563 1 17 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.919 -1.112 25125 11564 1 17 . 1 1 104 104 LYS N N 104 118.848 118.848 120.393 -1.545 25125 11565 1 17 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.910 -0.397 25125 11566 1 17 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.189 0.029 25125 11567 1 17 . 1 1 104 104 LYS CB C 104 34.744 34.744 31.905 2.839 25125 11568 1 17 . 1 1 104 104 LYS H H 104 8.279 8.279 8.120 0.159 25125 11569 1 17 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.486 -0.187 25125 11570 1 17 . 1 1 105 105 PRO C C 105 175.001 175.001 175.778 -0.777 25125 11571 1 17 . 1 1 105 105 PRO CA C 105 62.394 62.394 63.018 -0.624 25125 11572 1 17 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.199 1.896 25125 11573 1 17 . 1 1 106 106 PHE N N 106 116.607 116.607 115.536 1.071 25125 11574 1 17 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.761 0.409 25125 11575 1 17 . 1 1 106 106 PHE C C 106 175.221 175.221 174.426 0.795 25125 11576 1 17 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.783 -2.348 25125 11577 1 17 . 1 1 106 106 PHE CB C 106 40.400 40.400 41.210 -0.810 25125 11578 1 17 . 1 1 106 106 PHE H H 106 7.457 7.457 7.571 -0.114 25125 11579 1 17 . 1 1 107 107 ASP N N 107 122.214 122.214 124.159 -1.945 25125 11580 1 17 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.801 0.031 25125 11581 1 17 . 1 1 107 107 ASP C C 107 177.778 177.778 177.193 0.585 25125 11582 1 17 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.245 -1.003 25125 11583 1 17 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.184 1.413 25125 11584 1 17 . 1 1 107 107 ASP H H 107 9.022 9.022 8.704 0.318 25125 11585 1 17 . 1 1 108 108 ILE N N 108 127.706 127.706 125.974 1.732 25125 11586 1 17 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.757 0.208 25125 11587 1 17 . 1 1 108 108 ILE C C 108 176.046 176.046 177.553 -1.507 25125 11588 1 17 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.124 -2.135 25125 11589 1 17 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.081 -0.327 25125 11590 1 17 . 1 1 108 108 ILE H H 108 8.860 8.860 8.605 0.255 25125 11591 1 17 . 1 1 109 109 ASP N N 109 120.058 120.058 119.032 1.026 25125 11592 1 17 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.405 -0.017 25125 11593 1 17 . 1 1 109 109 ASP C C 109 179.786 179.786 178.924 0.862 25125 11594 1 17 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.784 -0.290 25125 11595 1 17 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.505 -0.451 25125 11596 1 17 . 1 1 109 109 ASP H H 109 8.079 8.079 8.634 -0.555 25125 11597 1 17 . 1 1 110 110 GLU N N 110 121.559 121.559 119.462 2.097 25125 11598 1 17 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.218 -0.150 25125 11599 1 17 . 1 1 110 110 GLU C C 110 179.043 179.043 178.545 0.498 25125 11600 1 17 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.406 0.420 25125 11601 1 17 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.075 -0.731 25125 11602 1 17 . 1 1 110 110 GLU H H 110 8.012 8.012 7.991 0.021 25125 11603 1 17 . 1 1 111 111 ALA N N 111 122.267 122.267 123.688 -1.421 25125 11604 1 17 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.094 -0.340 25125 11605 1 17 . 1 1 111 111 ALA C C 111 178.493 178.493 179.602 -1.109 25125 11606 1 17 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.486 -0.314 25125 11607 1 17 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.418 -0.036 25125 11608 1 17 . 1 1 111 111 ALA H H 111 7.897 7.897 8.489 -0.592 25125 11609 1 17 . 1 1 112 112 VAL N N 112 116.527 116.527 118.160 -1.633 25125 11610 1 17 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.577 -0.410 25125 11611 1 17 . 1 1 112 112 VAL C C 112 177.201 177.201 177.831 -0.630 25125 11612 1 17 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.756 0.389 25125 11613 1 17 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.318 0.234 25125 11614 1 17 . 1 1 112 112 VAL H H 112 8.018 8.018 8.294 -0.276 25125 11615 1 17 . 1 1 113 113 ALA N N 113 119.895 119.895 121.122 -1.227 25125 11616 1 17 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.238 -0.100 25125 11617 1 17 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.478 0.354 25125 11618 1 17 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.572 -0.700 25125 11619 1 17 . 1 1 113 113 ALA H H 113 7.673 7.673 7.446 0.227 25125 11620 1 17 . 1 1 114 114 LEU N N 114 120.650 120.650 120.606 0.044 25125 11621 1 17 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.108 -0.025 25125 11622 1 17 . 1 1 114 114 LEU C C 114 178.466 178.466 178.568 -0.102 25125 11623 1 17 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.770 0.250 25125 11624 1 17 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.075 -0.242 25125 11625 1 17 . 1 1 114 114 LEU H H 114 7.840 7.840 7.839 0.001 25125 11626 1 17 . 1 1 115 115 VAL N N 115 119.480 119.480 118.225 1.255 25125 11627 1 17 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.445 -0.233 25125 11628 1 17 . 1 1 115 115 VAL C C 115 177.448 177.448 176.976 0.472 25125 11629 1 17 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.054 1.147 25125 11630 1 17 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.946 -1.274 25125 11631 1 17 . 1 1 115 115 VAL H H 115 7.824 7.824 8.003 -0.179 25125 11632 1 17 . 1 1 116 116 GLU N N 116 117.473 117.473 119.419 -1.946 25125 11633 1 17 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.944 -0.155 25125 11634 1 17 . 1 1 116 116 GLU C C 116 179.566 179.566 178.665 0.901 25125 11635 1 17 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.368 0.562 25125 11636 1 17 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.403 -0.307 25125 11637 1 17 . 1 1 116 116 GLU H H 116 8.465 8.465 7.576 0.889 25125 11638 1 17 . 1 1 117 117 ARG N N 117 120.128 120.128 119.193 0.935 25125 11639 1 17 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125 11640 1 17 . 1 1 117 117 ARG C C 117 178.438 178.438 177.288 1.150 25125 11641 1 17 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.948 0.330 25125 11642 1 17 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.103 0.174 25125 11643 1 17 . 1 1 117 117 ARG H H 117 8.012 8.012 7.717 0.295 25125 11644 1 17 . 1 1 118 118 ALA N N 118 122.270 122.270 120.261 2.009 25125 11645 1 17 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.957 -0.501 25125 11646 1 17 . 1 1 118 118 ALA C C 118 178.741 178.741 178.597 0.144 25125 11647 1 17 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.758 0.820 25125 11648 1 17 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.978 -0.820 25125 11649 1 17 . 1 1 118 118 ALA H H 118 7.958 7.958 7.119 0.839 25125 11650 1 17 . 1 1 119 119 ILE N N 119 115.269 115.269 118.142 -2.873 25125 11651 1 17 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.842 -0.114 25125 11652 1 17 . 1 1 119 119 ILE C C 119 177.366 177.366 178.206 -0.840 25125 11653 1 17 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.968 -1.299 25125 11654 1 17 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.271 -0.473 25125 11655 1 17 . 1 1 119 119 ILE H H 119 7.753 7.753 7.650 0.103 25125 11656 1 17 . 1 1 120 120 SER N N 120 115.135 115.135 115.010 0.125 25125 11657 1 17 . 1 1 120 120 SER HA H 120 4.275 4.275 4.136 0.139 25125 11658 1 17 . 1 1 120 120 SER C C 120 175.084 175.084 175.512 -0.428 25125 11659 1 17 . 1 1 120 120 SER CA C 120 59.816 59.816 60.939 -1.123 25125 11660 1 17 . 1 1 120 120 SER CB C 120 63.380 63.380 62.969 0.411 25125 11661 1 17 . 1 1 120 120 SER H H 120 7.816 7.816 8.189 -0.373 25125 11662 1 17 . 1 1 121 121 HIS N N 121 119.908 119.908 117.481 2.427 25125 11663 1 17 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.171 0.251 25125 11664 1 17 . 1 1 121 121 HIS C C 121 175.029 175.029 175.722 -0.693 25125 11665 1 17 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.490 -1.254 25125 11666 1 17 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.591 -0.163 25125 11667 1 17 . 1 1 121 121 HIS H H 121 7.910 7.910 7.709 0.201 25125 11668 1 17 . 1 1 122 122 TYR N N 122 118.880 118.880 116.896 1.984 25125 11669 1 17 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.499 -0.073 25125 11670 1 17 . 1 1 122 122 TYR C C 122 175.276 175.276 177.491 -2.215 25125 11671 1 17 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.863 -0.414 25125 11672 1 17 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.596 0.008 25125 11673 1 17 . 1 1 122 122 TYR H H 122 7.766 7.766 7.907 -0.141 25125 11674 1 17 . 1 1 123 123 GLN N N 123 121.479 121.479 119.125 2.354 25125 11675 1 17 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.178 0.092 25125 11676 1 17 . 1 1 123 123 GLN C C 123 174.534 174.534 175.969 -1.435 25125 11677 1 17 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.715 -2.203 25125 11678 1 17 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.250 0.518 25125 11679 1 17 . 1 1 123 123 GLN H H 123 7.878 7.878 8.070 -0.192 25125 11680 1 18 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.846 0.587 25125 11681 1 18 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.774 -1.210 25125 11682 1 18 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.224 2.376 25125 11683 1 18 . 1 1 3 3 ARG N N 3 121.252 121.252 116.991 4.261 25125 11684 1 18 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.132 0.233 25125 11685 1 18 . 1 1 3 3 ARG C C 3 175.634 175.634 176.049 -0.415 25125 11686 1 18 . 1 1 3 3 ARG CA C 3 55.991 55.991 57.005 -1.014 25125 11687 1 18 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.074 1.223 25125 11688 1 18 . 1 1 3 3 ARG H H 3 8.429 8.429 8.160 0.269 25125 11689 1 18 . 1 1 4 4 GLY N N 4 107.663 107.663 107.730 -0.067 25125 11690 1 18 . 1 1 4 4 GLY C C 4 171.041 171.041 173.272 -2.231 25125 11691 1 18 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.398 0.918 25125 11692 1 18 . 1 1 4 4 GLY H H 4 7.963 7.963 7.654 0.309 25125 11693 1 18 . 1 1 5 5 ILE N N 5 122.603 122.603 126.361 -3.758 25125 11694 1 18 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.026 0.673 25125 11695 1 18 . 1 1 5 5 ILE C C 5 175.359 175.359 174.827 0.532 25125 11696 1 18 . 1 1 5 5 ILE CA C 5 60.610 60.610 62.048 -1.438 25125 11697 1 18 . 1 1 5 5 ILE CB C 5 39.576 39.576 38.827 0.749 25125 11698 1 18 . 1 1 5 5 ILE H H 5 9.610 9.610 7.869 1.741 25125 11699 1 18 . 1 1 6 6 VAL N N 6 127.905 127.905 126.690 1.215 25125 11700 1 18 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.960 -0.148 25125 11701 1 18 . 1 1 6 6 VAL C C 6 174.204 174.204 175.466 -1.262 25125 11702 1 18 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.287 -0.728 25125 11703 1 18 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.774 0.752 25125 11704 1 18 . 1 1 6 6 VAL H H 6 9.090 9.090 7.849 1.241 25125 11705 1 18 . 1 1 7 7 TRP N N 7 127.467 127.467 128.332 -0.865 25125 11706 1 18 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.120 1.334 25125 11707 1 18 . 1 1 7 7 TRP C C 7 175.056 175.056 175.307 -0.251 25125 11708 1 18 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.777 -1.899 25125 11709 1 18 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.923 2.211 25125 11710 1 18 . 1 1 7 7 TRP H H 7 8.497 8.497 8.196 0.301 25125 11711 1 18 . 1 1 8 8 VAL N N 8 122.068 122.068 122.057 0.011 25125 11712 1 18 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.656 0.430 25125 11713 1 18 . 1 1 8 8 VAL C C 8 173.874 173.874 174.412 -0.538 25125 11714 1 18 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.868 -0.382 25125 11715 1 18 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.315 1.400 25125 11716 1 18 . 1 1 8 8 VAL H H 8 8.583 8.583 9.006 -0.423 25125 11717 1 18 . 1 1 9 9 VAL N N 9 127.733 127.733 122.463 5.270 25125 11718 1 18 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.292 0.669 25125 11719 1 18 . 1 1 9 9 VAL C C 9 173.131 173.131 173.341 -0.210 25125 11720 1 18 . 1 1 9 9 VAL CA C 9 59.675 59.675 61.205 -1.530 25125 11721 1 18 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.960 -1.049 25125 11722 1 18 . 1 1 9 9 VAL H H 9 9.107 9.107 8.488 0.619 25125 11723 1 18 . 1 1 10 10 ASP N N 10 124.306 124.306 126.469 -2.163 25125 11724 1 18 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.822 -0.253 25125 11725 1 18 . 1 1 10 10 ASP C C 10 175.029 175.029 174.810 0.219 25125 11726 1 18 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.844 -1.097 25125 11727 1 18 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.053 2.056 25125 11728 1 18 . 1 1 10 10 ASP H H 10 7.775 7.775 8.275 -0.500 25125 11729 1 18 . 1 1 11 11 ASP N N 11 126.714 126.714 116.490 10.224 25125 11730 1 18 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.826 -0.291 25125 11731 1 18 . 1 1 11 11 ASP C C 11 175.689 175.689 174.603 1.086 25125 11732 1 18 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.460 1.258 25125 11733 1 18 . 1 1 11 11 ASP CB C 11 42.074 42.074 43.016 -0.942 25125 11734 1 18 . 1 1 11 11 ASP H H 11 9.033 9.033 8.308 0.725 25125 11735 1 18 . 1 1 12 12 ASP N N 12 121.877 121.877 120.637 1.240 25125 11736 1 18 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.903 -0.257 25125 11737 1 18 . 1 1 12 12 ASP C C 12 177.036 177.036 176.891 0.145 25125 11738 1 18 . 1 1 12 12 ASP CA C 12 53.303 53.303 54.049 -0.746 25125 11739 1 18 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.806 -1.642 25125 11740 1 18 . 1 1 12 12 ASP H H 12 9.570 9.570 7.974 1.596 25125 11741 1 18 . 1 1 13 13 SER N N 13 123.799 123.799 118.062 5.737 25125 11742 1 18 . 1 1 13 13 SER HA H 13 3.761 3.761 4.375 -0.614 25125 11743 1 18 . 1 1 13 13 SER C C 13 176.156 176.156 176.214 -0.058 25125 11744 1 18 . 1 1 13 13 SER CA C 13 61.186 61.186 61.273 -0.087 25125 11745 1 18 . 1 1 13 13 SER CB C 13 62.749 62.749 63.534 -0.785 25125 11746 1 18 . 1 1 13 13 SER H H 13 8.850 8.850 8.877 -0.027 25125 11747 1 18 . 1 1 14 14 SER N N 14 119.123 119.123 117.417 1.706 25125 11748 1 18 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125 11749 1 18 . 1 1 14 14 SER C C 14 176.404 176.404 176.791 -0.387 25125 11750 1 18 . 1 1 14 14 SER CA C 14 61.730 61.730 61.008 0.722 25125 11751 1 18 . 1 1 14 14 SER CB C 14 62.548 62.548 63.052 -0.504 25125 11752 1 18 . 1 1 14 14 SER H H 14 8.531 8.531 8.632 -0.101 25125 11753 1 18 . 1 1 15 15 ILE N N 15 123.637 123.637 121.340 2.297 25125 11754 1 18 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.997 -0.052 25125 11755 1 18 . 1 1 15 15 ILE C C 15 177.861 177.861 177.779 0.082 25125 11756 1 18 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.161 -1.962 25125 11757 1 18 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.136 -1.250 25125 11758 1 18 . 1 1 15 15 ILE H H 15 7.206 7.206 8.034 -0.828 25125 11759 1 18 . 1 1 16 16 ARG N N 16 116.694 116.694 118.719 -2.025 25125 11760 1 18 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.221 -0.498 25125 11761 1 18 . 1 1 16 16 ARG C C 16 177.448 177.448 178.042 -0.594 25125 11762 1 18 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.770 2.803 25125 11763 1 18 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.688 0.759 25125 11764 1 18 . 1 1 16 16 ARG H H 16 7.562 7.562 7.402 0.160 25125 11765 1 18 . 1 1 17 17 TRP N N 17 116.848 116.848 123.573 -6.725 25125 11766 1 18 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.489 -0.018 25125 11767 1 18 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.087 -0.647 25125 11768 1 18 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.724 -0.432 25125 11769 1 18 . 1 1 17 17 TRP H H 17 8.005 8.005 8.249 -0.244 25125 11770 1 18 . 1 1 18 18 VAL N N 18 116.964 116.964 116.809 0.155 25125 11771 1 18 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.929 0.746 25125 11772 1 18 . 1 1 18 18 VAL C C 18 179.181 179.181 177.310 1.871 25125 11773 1 18 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.809 -0.101 25125 11774 1 18 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.120 0.517 25125 11775 1 18 . 1 1 18 18 VAL H H 18 8.110 8.110 7.765 0.345 25125 11776 1 18 . 1 1 19 19 LEU N N 19 120.186 120.186 118.936 1.250 25125 11777 1 18 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.153 -0.078 25125 11778 1 18 . 1 1 19 19 LEU C C 19 177.778 177.778 178.820 -1.042 25125 11779 1 18 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.118 0.704 25125 11780 1 18 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.827 -0.046 25125 11781 1 18 . 1 1 19 19 LEU H H 19 8.073 8.073 7.534 0.539 25125 11782 1 18 . 1 1 20 20 GLU N N 20 120.193 120.193 120.467 -0.274 25125 11783 1 18 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.888 0.053 25125 11784 1 18 . 1 1 20 20 GLU C C 20 178.603 178.603 178.929 -0.326 25125 11785 1 18 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.926 0.684 25125 11786 1 18 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.783 -0.695 25125 11787 1 18 . 1 1 20 20 GLU H H 20 8.387 8.387 8.254 0.133 25125 11788 1 18 . 1 1 21 21 ARG N N 21 116.076 116.076 116.738 -0.662 25125 11789 1 18 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.048 -0.155 25125 11790 1 18 . 1 1 21 21 ARG C C 21 179.676 179.676 178.008 1.668 25125 11791 1 18 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.709 -0.260 25125 11792 1 18 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.240 0.613 25125 11793 1 18 . 1 1 21 21 ARG H H 21 7.602 7.602 8.320 -0.718 25125 11794 1 18 . 1 1 22 22 ALA N N 22 122.405 122.405 122.818 -0.413 25125 11795 1 18 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.095 0.002 25125 11796 1 18 . 1 1 22 22 ALA C C 22 180.501 180.501 178.837 1.664 25125 11797 1 18 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.287 0.291 25125 11798 1 18 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.209 1.023 25125 11799 1 18 . 1 1 22 22 ALA H H 22 7.992 7.992 7.420 0.572 25125 11800 1 18 . 1 1 23 23 LEU N N 23 118.026 118.026 117.798 0.228 25125 11801 1 18 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.239 -0.238 25125 11802 1 18 . 1 1 23 23 LEU C C 23 178.878 178.878 179.083 -0.205 25125 11803 1 18 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.829 0.892 25125 11804 1 18 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.025 -2.370 25125 11805 1 18 . 1 1 23 23 LEU H H 23 8.825 8.825 7.581 1.244 25125 11806 1 18 . 1 1 24 24 ALA N N 24 122.159 122.159 122.479 -0.320 25125 11807 1 18 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.986 0.647 25125 11808 1 18 . 1 1 24 24 ALA C C 24 183.141 183.141 179.381 3.760 25125 11809 1 18 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.858 -0.111 25125 11810 1 18 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.400 -0.698 25125 11811 1 18 . 1 1 24 24 ALA H H 24 8.125 8.125 7.807 0.318 25125 11812 1 18 . 1 1 25 25 GLY N N 25 106.891 106.891 103.831 3.060 25125 11813 1 18 . 1 1 25 25 GLY C C 25 174.286 174.286 174.573 -0.287 25125 11814 1 18 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.150 1.271 25125 11815 1 18 . 1 1 25 25 GLY H H 25 7.870 7.870 7.762 0.108 25125 11816 1 18 . 1 1 26 26 ALA N N 26 121.819 121.819 123.192 -1.373 25125 11817 1 18 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.369 0.130 25125 11818 1 18 . 1 1 26 26 ALA C C 26 176.953 176.953 176.937 0.016 25125 11819 1 18 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.893 -0.374 25125 11820 1 18 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.382 -1.660 25125 11821 1 18 . 1 1 26 26 ALA H H 26 7.285 7.285 7.498 -0.213 25125 11822 1 18 . 1 1 27 27 GLY N N 27 106.197 106.197 106.259 -0.062 25125 11823 1 18 . 1 1 27 27 GLY C C 27 173.956 173.956 173.267 0.689 25125 11824 1 18 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.137 0.179 25125 11825 1 18 . 1 1 27 27 GLY H H 27 7.824 7.824 7.989 -0.165 25125 11826 1 18 . 1 1 28 28 LEU N N 28 120.291 120.291 117.654 2.637 25125 11827 1 18 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.805 -0.230 25125 11828 1 18 . 1 1 28 28 LEU C C 28 175.881 175.881 176.477 -0.596 25125 11829 1 18 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.498 1.145 25125 11830 1 18 . 1 1 28 28 LEU CB C 28 42.485 42.485 43.807 -1.322 25125 11831 1 18 . 1 1 28 28 LEU H H 28 7.678 7.678 7.557 0.121 25125 11832 1 18 . 1 1 29 29 THR N N 29 118.040 118.040 117.577 0.463 25125 11833 1 18 . 1 1 29 29 THR HA H 29 4.335 4.335 4.191 0.144 25125 11834 1 18 . 1 1 29 29 THR C C 29 173.186 173.186 173.907 -0.721 25125 11835 1 18 . 1 1 29 29 THR CA C 29 62.479 62.479 64.216 -1.736 25125 11836 1 18 . 1 1 29 29 THR CB C 29 69.465 69.465 69.400 0.065 25125 11837 1 18 . 1 1 29 29 THR H H 29 8.527 8.527 8.527 0.000 25125 11838 1 18 . 1 1 30 30 CYS N N 30 128.387 128.387 121.271 7.116 25125 11839 1 18 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.487 0.456 25125 11840 1 18 . 1 1 30 30 CYS C C 30 173.846 173.846 174.003 -0.157 25125 11841 1 18 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.774 -0.412 25125 11842 1 18 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.729 -1.249 25125 11843 1 18 . 1 1 30 30 CYS H H 30 8.968 8.968 8.361 0.607 25125 11844 1 18 . 1 1 31 31 THR N N 31 126.481 126.481 123.310 3.171 25125 11845 1 18 . 1 1 31 31 THR HA H 31 4.433 4.433 4.485 -0.052 25125 11846 1 18 . 1 1 31 31 THR C C 31 172.609 172.609 173.710 -1.101 25125 11847 1 18 . 1 1 31 31 THR CA C 31 61.951 61.951 61.971 -0.020 25125 11848 1 18 . 1 1 31 31 THR CB C 31 70.567 70.567 70.403 0.164 25125 11849 1 18 . 1 1 31 31 THR H H 31 8.614 8.614 8.435 0.179 25125 11850 1 18 . 1 1 32 32 THR N N 32 116.418 116.418 118.539 -2.121 25125 11851 1 18 . 1 1 32 32 THR HA H 32 5.330 5.330 5.139 0.191 25125 11852 1 18 . 1 1 32 32 THR C C 32 172.306 172.306 173.231 -0.925 25125 11853 1 18 . 1 1 32 32 THR CA C 32 59.173 59.173 60.366 -1.193 25125 11854 1 18 . 1 1 32 32 THR CB C 32 70.917 70.917 70.056 0.861 25125 11855 1 18 . 1 1 32 32 THR H H 32 8.299 8.299 8.325 -0.026 25125 11856 1 18 . 1 1 33 33 PHE N N 33 118.067 118.067 125.071 -7.004 25125 11857 1 18 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.542 0.101 25125 11858 1 18 . 1 1 33 33 PHE C C 33 174.341 174.341 175.827 -1.486 25125 11859 1 18 . 1 1 33 33 PHE CA C 33 56.532 56.532 59.175 -2.643 25125 11860 1 18 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.358 2.951 25125 11861 1 18 . 1 1 33 33 PHE H H 33 8.890 8.890 8.578 0.312 25125 11862 1 18 . 1 1 34 34 GLU N N 34 118.499 118.499 110.845 7.654 25125 11863 1 18 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.293 0.061 25125 11864 1 18 . 1 1 34 34 GLU C C 34 175.414 175.414 174.610 0.804 25125 11865 1 18 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.703 -0.011 25125 11866 1 18 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.276 1.191 25125 11867 1 18 . 1 1 34 34 GLU H H 34 9.023 9.023 8.552 0.471 25125 11868 1 18 . 1 1 35 35 ASN N N 35 109.907 109.907 118.133 -8.226 25125 11869 1 18 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.048 -0.267 25125 11870 1 18 . 1 1 35 35 ASN C C 35 175.139 175.139 176.765 -1.626 25125 11871 1 18 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.419 -0.273 25125 11872 1 18 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.615 -0.292 25125 11873 1 18 . 1 1 35 35 ASN H H 35 7.401 7.401 7.925 -0.524 25125 11874 1 18 . 1 1 36 36 GLY N N 36 106.739 106.739 110.481 -3.742 25125 11875 1 18 . 1 1 36 36 GLY C C 36 174.616 174.616 175.252 -0.636 25125 11876 1 18 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.273 -0.257 25125 11877 1 18 . 1 1 36 36 GLY H H 36 8.877 8.877 8.690 0.187 25125 11878 1 18 . 1 1 37 37 ASN N N 37 120.462 120.462 118.185 2.277 25125 11879 1 18 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.493 -0.131 25125 11880 1 18 . 1 1 37 37 ASN C C 37 178.686 178.686 176.848 1.838 25125 11881 1 18 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.277 1.255 25125 11882 1 18 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.171 -0.587 25125 11883 1 18 . 1 1 37 37 ASN H H 37 8.366 8.366 8.419 -0.053 25125 11884 1 18 . 1 1 38 38 GLU N N 38 119.360 119.360 117.823 1.537 25125 11885 1 18 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.241 -0.171 25125 11886 1 18 . 1 1 38 38 GLU C C 38 179.263 179.263 177.621 1.642 25125 11887 1 18 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.339 1.293 25125 11888 1 18 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.431 1.101 25125 11889 1 18 . 1 1 38 38 GLU H H 38 7.990 7.990 7.681 0.309 25125 11890 1 18 . 1 1 39 39 VAL N N 39 119.259 119.259 118.961 0.298 25125 11891 1 18 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.270 -0.502 25125 11892 1 18 . 1 1 39 39 VAL C C 39 176.431 176.431 177.368 -0.937 25125 11893 1 18 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.366 1.577 25125 11894 1 18 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.616 -0.541 25125 11895 1 18 . 1 1 39 39 VAL H H 39 6.883 6.883 7.721 -0.838 25125 11896 1 18 . 1 1 40 40 LEU N N 40 119.627 119.627 121.656 -2.029 25125 11897 1 18 . 1 1 40 40 LEU HA H 40 3.927 3.927 4.015 -0.088 25125 11898 1 18 . 1 1 40 40 LEU C C 40 179.538 179.538 178.135 1.403 25125 11899 1 18 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.300 -0.360 25125 11900 1 18 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.213 -0.145 25125 11901 1 18 . 1 1 40 40 LEU H H 40 7.692 7.692 7.764 -0.072 25125 11902 1 18 . 1 1 41 41 ALA N N 41 120.051 120.051 120.273 -0.222 25125 11903 1 18 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.180 -0.040 25125 11904 1 18 . 1 1 41 41 ALA C C 41 180.528 180.528 178.493 2.035 25125 11905 1 18 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.331 0.319 25125 11906 1 18 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.031 -0.165 25125 11907 1 18 . 1 1 41 41 ALA H H 41 7.553 7.553 7.780 -0.227 25125 11908 1 18 . 1 1 42 42 ALA N N 42 122.731 122.731 121.072 1.659 25125 11909 1 18 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.204 -0.005 25125 11910 1 18 . 1 1 42 42 ALA C C 42 180.198 180.198 180.354 -0.156 25125 11911 1 18 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.417 0.615 25125 11912 1 18 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.262 1.137 25125 11913 1 18 . 1 1 42 42 ALA H H 42 7.604 7.604 7.105 0.499 25125 11914 1 18 . 1 1 43 43 LEU N N 43 119.131 119.131 119.176 -0.045 25125 11915 1 18 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.037 1.169 25125 11916 1 18 . 1 1 43 43 LEU C C 43 177.421 177.421 178.839 -1.418 25125 11917 1 18 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.468 -1.923 25125 11918 1 18 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.184 1.421 25125 11919 1 18 . 1 1 43 43 LEU H H 43 8.288 8.288 8.324 -0.036 25125 11920 1 18 . 1 1 44 44 ALA N N 44 119.065 119.065 117.138 1.927 25125 11921 1 18 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.184 0.045 25125 11922 1 18 . 1 1 44 44 ALA C C 44 178.686 178.686 178.252 0.434 25125 11923 1 18 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.808 0.430 25125 11924 1 18 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.319 0.198 25125 11925 1 18 . 1 1 44 44 ALA H H 44 7.302 7.302 7.870 -0.568 25125 11926 1 18 . 1 1 45 45 SER N N 45 108.656 108.656 114.666 -6.010 25125 11927 1 18 . 1 1 45 45 SER HA H 45 4.742 4.742 4.410 0.332 25125 11928 1 18 . 1 1 45 45 SER C C 45 173.296 173.296 175.940 -2.644 25125 11929 1 18 . 1 1 45 45 SER CA C 45 58.656 58.656 61.085 -2.429 25125 11930 1 18 . 1 1 45 45 SER CB C 45 65.407 65.407 63.877 1.530 25125 11931 1 18 . 1 1 45 45 SER H H 45 7.728 7.728 8.112 -0.384 25125 11932 1 18 . 1 1 46 46 LYS N N 46 123.016 123.016 116.719 6.297 25125 11933 1 18 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.654 -0.068 25125 11934 1 18 . 1 1 46 46 LYS C C 46 172.719 172.719 175.716 -2.997 25125 11935 1 18 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.331 -0.819 25125 11936 1 18 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.124 2.101 25125 11937 1 18 . 1 1 46 46 LYS H H 46 8.101 8.101 7.998 0.103 25125 11938 1 18 . 1 1 47 47 THR N N 47 111.780 111.780 112.680 -0.900 25125 11939 1 18 . 1 1 47 47 THR HA H 47 4.282 4.282 3.997 0.285 25125 11940 1 18 . 1 1 47 47 THR CA C 47 57.806 57.806 62.109 -4.303 25125 11941 1 18 . 1 1 47 47 THR CB C 47 70.594 70.594 67.558 3.035 25125 11942 1 18 . 1 1 47 47 THR H H 47 7.677 7.677 7.700 -0.023 25125 11943 1 18 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.204 -0.299 25125 11944 1 18 . 1 1 48 48 PRO C C 48 172.966 172.966 175.555 -2.589 25125 11945 1 18 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.400 -1.535 25125 11946 1 18 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.959 -1.682 25125 11947 1 18 . 1 1 49 49 ASP N N 49 115.035 115.035 117.503 -2.468 25125 11948 1 18 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.813 -0.369 25125 11949 1 18 . 1 1 49 49 ASP C C 49 175.634 175.634 175.702 -0.068 25125 11950 1 18 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.312 2.135 25125 11951 1 18 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.105 -0.593 25125 11952 1 18 . 1 1 49 49 ASP H H 49 8.502 8.502 7.933 0.569 25125 11953 1 18 . 1 1 50 50 VAL N N 50 112.082 112.082 117.116 -5.034 25125 11954 1 18 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.661 -0.381 25125 11955 1 18 . 1 1 50 50 VAL C C 50 171.454 171.454 172.992 -1.538 25125 11956 1 18 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.355 -0.793 25125 11957 1 18 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.340 0.296 25125 11958 1 18 . 1 1 50 50 VAL H H 50 7.173 7.173 7.197 -0.024 25125 11959 1 18 . 1 1 51 51 LEU N N 51 128.247 128.247 125.545 2.702 25125 11960 1 18 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.133 0.186 25125 11961 1 18 . 1 1 51 51 LEU C C 51 173.104 173.104 175.017 -1.913 25125 11962 1 18 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.540 -0.322 25125 11963 1 18 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.689 -0.183 25125 11964 1 18 . 1 1 51 51 LEU H H 51 8.059 8.059 8.009 0.050 25125 11965 1 18 . 1 1 52 52 LEU N N 52 128.407 128.407 119.861 8.546 25125 11966 1 18 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.028 0.473 25125 11967 1 18 . 1 1 52 52 LEU C C 52 175.414 175.414 176.176 -0.762 25125 11968 1 18 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.283 0.040 25125 11969 1 18 . 1 1 52 52 LEU CB C 52 44.521 44.521 41.888 2.633 25125 11970 1 18 . 1 1 52 52 LEU H H 52 9.242 9.242 8.066 1.176 25125 11971 1 18 . 1 1 53 53 SER N N 53 114.946 114.946 116.544 -1.598 25125 11972 1 18 . 1 1 53 53 SER HA H 53 5.595 5.595 4.472 1.123 25125 11973 1 18 . 1 1 53 53 SER C C 53 174.644 174.644 174.142 0.502 25125 11974 1 18 . 1 1 53 53 SER CA C 53 55.954 55.954 58.991 -3.037 25125 11975 1 18 . 1 1 53 53 SER CB C 53 66.473 66.473 63.668 2.805 25125 11976 1 18 . 1 1 53 53 SER H H 53 8.695 8.695 7.979 0.716 25125 11977 1 18 . 1 1 54 54 ASP N N 54 128.341 128.341 122.080 6.261 25125 11978 1 18 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.068 0.257 25125 11979 1 18 . 1 1 54 54 ASP C C 54 176.816 176.816 175.678 1.138 25125 11980 1 18 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.212 1.281 25125 11981 1 18 . 1 1 54 54 ASP CB C 54 42.328 42.328 44.139 -1.811 25125 11982 1 18 . 1 1 54 54 ASP H H 54 7.886 7.886 7.932 -0.046 25125 11983 1 18 . 1 1 55 55 ILE N N 55 121.229 121.229 122.114 -0.885 25125 11984 1 18 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.314 -0.129 25125 11985 1 18 . 1 1 55 55 ILE C C 55 175.084 175.084 174.148 0.936 25125 11986 1 18 . 1 1 55 55 ILE CA C 55 61.542 61.542 60.698 0.844 25125 11987 1 18 . 1 1 55 55 ILE CB C 55 39.029 39.029 38.447 0.582 25125 11988 1 18 . 1 1 55 55 ILE H H 55 8.722 8.722 8.298 0.424 25125 11989 1 18 . 1 1 56 56 ARG N N 56 124.188 124.188 122.239 1.949 25125 11990 1 18 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.513 -0.008 25125 11991 1 18 . 1 1 56 56 ARG C C 56 175.661 175.661 174.609 1.052 25125 11992 1 18 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.086 -0.645 25125 11993 1 18 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.586 0.776 25125 11994 1 18 . 1 1 56 56 ARG H H 56 8.499 8.499 8.632 -0.133 25125 11995 1 18 . 1 1 57 57 MET N N 57 122.581 122.581 117.539 5.042 25125 11996 1 18 . 1 1 57 57 MET HA H 57 4.821 4.821 5.040 -0.219 25125 11997 1 18 . 1 1 57 57 MET CA C 57 53.132 53.132 52.327 0.805 25125 11998 1 18 . 1 1 57 57 MET CB C 57 33.445 33.445 33.950 -0.505 25125 11999 1 18 . 1 1 57 57 MET H H 57 7.956 7.956 7.788 0.168 25125 12000 1 18 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.452 -0.059 25125 12001 1 18 . 1 1 58 58 PRO C C 58 177.806 177.806 178.362 -0.556 25125 12002 1 18 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.432 0.067 25125 12003 1 18 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.214 -0.407 25125 12004 1 18 . 1 1 59 59 GLY N N 59 111.082 111.082 109.376 1.706 25125 12005 1 18 . 1 1 59 59 GLY C C 59 173.626 173.626 174.345 -0.719 25125 12006 1 18 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.774 -0.184 25125 12007 1 18 . 1 1 59 59 GLY H H 59 8.653 8.653 8.458 0.195 25125 12008 1 18 . 1 1 60 60 MET N N 60 120.052 120.052 125.015 -4.963 25125 12009 1 18 . 1 1 60 60 MET HA H 60 4.525 4.525 4.448 0.077 25125 12010 1 18 . 1 1 60 60 MET C C 60 173.956 173.956 174.914 -0.958 25125 12011 1 18 . 1 1 60 60 MET CA C 60 55.047 55.047 55.571 -0.524 25125 12012 1 18 . 1 1 60 60 MET CB C 60 34.506 34.506 33.110 1.396 25125 12013 1 18 . 1 1 60 60 MET H H 60 7.968 7.968 8.029 -0.061 25125 12014 1 18 . 1 1 61 61 ASP N N 61 121.306 121.306 123.371 -2.065 25125 12015 1 18 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.814 -0.110 25125 12016 1 18 . 1 1 61 61 ASP C C 61 176.761 176.761 177.006 -0.245 25125 12017 1 18 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.943 -0.214 25125 12018 1 18 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.720 0.349 25125 12019 1 18 . 1 1 61 61 ASP H H 61 8.379 8.379 8.647 -0.268 25125 12020 1 18 . 1 1 62 62 GLY N N 62 110.874 110.874 109.384 1.490 25125 12021 1 18 . 1 1 62 62 GLY C C 62 175.194 175.194 176.385 -1.191 25125 12022 1 18 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.444 0.657 25125 12023 1 18 . 1 1 62 62 GLY H H 62 8.707 8.707 8.162 0.545 25125 12024 1 18 . 1 1 63 63 LEU N N 63 121.299 121.299 123.881 -2.582 25125 12025 1 18 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.027 0.150 25125 12026 1 18 . 1 1 63 63 LEU C C 63 178.356 178.356 178.399 -0.043 25125 12027 1 18 . 1 1 63 63 LEU CA C 63 56.878 56.878 57.752 -0.874 25125 12028 1 18 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.890 0.348 25125 12029 1 18 . 1 1 63 63 LEU H H 63 8.045 8.045 8.235 -0.190 25125 12030 1 18 . 1 1 64 64 ALA N N 64 122.741 122.741 121.500 1.241 25125 12031 1 18 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125 12032 1 18 . 1 1 64 64 ALA C C 64 180.556 180.556 179.177 1.379 25125 12033 1 18 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.725 -0.110 25125 12034 1 18 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.948 0.052 25125 12035 1 18 . 1 1 64 64 ALA H H 64 7.859 7.859 8.252 -0.393 25125 12036 1 18 . 1 1 65 65 LEU N N 65 120.287 120.287 116.623 3.664 25125 12037 1 18 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.529 -0.467 25125 12038 1 18 . 1 1 65 65 LEU C C 65 178.191 178.191 179.069 -0.878 25125 12039 1 18 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.682 1.337 25125 12040 1 18 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.528 -1.290 25125 12041 1 18 . 1 1 65 65 LEU H H 65 8.022 8.022 7.645 0.377 25125 12042 1 18 . 1 1 66 66 LEU N N 66 118.738 118.738 123.103 -4.365 25125 12043 1 18 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.064 -0.206 25125 12044 1 18 . 1 1 66 66 LEU C C 66 178.631 178.631 178.699 -0.068 25125 12045 1 18 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.630 0.716 25125 12046 1 18 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.758 0.480 25125 12047 1 18 . 1 1 66 66 LEU H H 66 8.101 8.101 8.804 -0.703 25125 12048 1 18 . 1 1 67 67 LYS N N 67 117.842 117.842 117.645 0.197 25125 12049 1 18 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.013 -0.031 25125 12050 1 18 . 1 1 67 67 LYS C C 67 179.263 179.263 179.433 -0.170 25125 12051 1 18 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.861 0.936 25125 12052 1 18 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.078 0.129 25125 12053 1 18 . 1 1 67 67 LYS H H 67 8.010 8.010 7.890 0.120 25125 12054 1 18 . 1 1 68 68 GLN N N 68 118.875 118.875 118.614 0.261 25125 12055 1 18 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.165 -0.109 25125 12056 1 18 . 1 1 68 68 GLN C C 68 179.071 179.071 178.117 0.954 25125 12057 1 18 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.786 0.287 25125 12058 1 18 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.936 -0.325 25125 12059 1 18 . 1 1 68 68 GLN H H 68 7.809 7.809 7.950 -0.141 25125 12060 1 18 . 1 1 69 69 ILE N N 69 120.377 120.377 118.943 1.434 25125 12061 1 18 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.901 -0.371 25125 12062 1 18 . 1 1 69 69 ILE C C 69 177.421 177.421 178.471 -1.050 25125 12063 1 18 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.975 0.903 25125 12064 1 18 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.627 -0.043 25125 12065 1 18 . 1 1 69 69 ILE H H 69 8.481 8.481 7.830 0.651 25125 12066 1 18 . 1 1 70 70 LYS N N 70 117.873 117.873 118.045 -0.172 25125 12067 1 18 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.109 -0.149 25125 12068 1 18 . 1 1 70 70 LYS C C 70 178.053 178.053 178.545 -0.492 25125 12069 1 18 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.412 -2.324 25125 12070 1 18 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.281 -1.069 25125 12071 1 18 . 1 1 70 70 LYS H H 70 8.220 8.220 7.756 0.464 25125 12072 1 18 . 1 1 71 71 GLN N N 71 116.315 116.315 118.898 -2.583 25125 12073 1 18 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.127 -0.135 25125 12074 1 18 . 1 1 71 71 GLN C C 71 177.366 177.366 178.040 -0.674 25125 12075 1 18 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.523 -0.333 25125 12076 1 18 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.686 -0.021 25125 12077 1 18 . 1 1 71 71 GLN H H 71 7.601 7.601 7.590 0.011 25125 12078 1 18 . 1 1 72 72 ARG N N 72 116.530 116.530 118.151 -1.621 25125 12079 1 18 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.997 0.033 25125 12080 1 18 . 1 1 72 72 ARG C C 72 175.826 175.826 176.899 -1.073 25125 12081 1 18 . 1 1 72 72 ARG CA C 72 57.222 57.222 58.307 -1.085 25125 12082 1 18 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.724 1.078 25125 12083 1 18 . 1 1 72 72 ARG H H 72 7.301 7.301 8.041 -0.740 25125 12084 1 18 . 1 1 73 73 HIS N N 73 116.755 116.755 116.178 0.577 25125 12085 1 18 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.003 -0.043 25125 12086 1 18 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.110 0.108 25125 12087 1 18 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.599 0.963 25125 12088 1 18 . 1 1 73 73 HIS H H 73 8.331 8.331 7.742 0.589 25125 12089 1 18 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.474 0.025 25125 12090 1 18 . 1 1 74 74 PRO C C 74 178.466 178.466 176.891 1.575 25125 12091 1 18 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.213 0.900 25125 12092 1 18 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.075 0.021 25125 12093 1 18 . 1 1 75 75 MET N N 75 114.814 114.814 116.952 -2.138 25125 12094 1 18 . 1 1 75 75 MET HA H 75 4.567 4.567 4.642 -0.075 25125 12095 1 18 . 1 1 75 75 MET C C 75 176.046 176.046 174.659 1.387 25125 12096 1 18 . 1 1 75 75 MET CA C 75 54.266 54.266 54.961 -0.695 25125 12097 1 18 . 1 1 75 75 MET CB C 75 31.288 31.288 33.516 -2.228 25125 12098 1 18 . 1 1 75 75 MET H H 75 8.623 8.623 7.939 0.684 25125 12099 1 18 . 1 1 76 76 LEU N N 76 125.533 125.533 123.508 2.025 25125 12100 1 18 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.787 -0.482 25125 12101 1 18 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.042 2.070 25125 12102 1 18 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.441 0.244 25125 12103 1 18 . 1 1 76 76 LEU H H 76 7.337 7.337 7.348 -0.011 25125 12104 1 18 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.505 -0.059 25125 12105 1 18 . 1 1 77 77 PRO C C 77 174.974 174.974 175.328 -0.354 25125 12106 1 18 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.570 0.257 25125 12107 1 18 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.556 -0.834 25125 12108 1 18 . 1 1 78 78 VAL N N 78 123.779 123.779 120.342 3.437 25125 12109 1 18 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.888 0.136 25125 12110 1 18 . 1 1 78 78 VAL C C 78 175.441 175.441 175.716 -0.275 25125 12111 1 18 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.325 -1.132 25125 12112 1 18 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.407 -2.113 25125 12113 1 18 . 1 1 78 78 VAL H H 78 8.317 8.317 8.391 -0.074 25125 12114 1 18 . 1 1 79 79 ILE N N 79 128.334 128.334 124.601 3.733 25125 12115 1 18 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.769 -0.288 25125 12116 1 18 . 1 1 79 79 ILE C C 79 174.479 174.479 174.984 -0.505 25125 12117 1 18 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.186 -0.664 25125 12118 1 18 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.932 -1.969 25125 12119 1 18 . 1 1 79 79 ILE H H 79 9.292 9.292 8.913 0.379 25125 12120 1 18 . 1 1 80 80 ILE N N 80 127.023 127.023 126.051 0.972 25125 12121 1 18 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.568 0.291 25125 12122 1 18 . 1 1 80 80 ILE C C 80 175.029 175.029 175.485 -0.456 25125 12123 1 18 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.692 -1.535 25125 12124 1 18 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.806 -0.862 25125 12125 1 18 . 1 1 80 80 ILE H H 80 7.938 7.938 8.811 -0.873 25125 12126 1 18 . 1 1 81 81 MET N N 81 127.255 127.255 124.796 2.459 25125 12127 1 18 . 1 1 81 81 MET HA H 81 5.521 5.521 5.468 0.053 25125 12128 1 18 . 1 1 81 81 MET C C 81 174.534 174.534 175.725 -1.191 25125 12129 1 18 . 1 1 81 81 MET CA C 81 53.513 53.513 54.996 -1.483 25125 12130 1 18 . 1 1 81 81 MET CB C 81 35.483 35.483 35.359 0.124 25125 12131 1 18 . 1 1 81 81 MET H H 81 8.801 8.801 8.126 0.675 25125 12132 1 18 . 1 1 82 82 THR N N 82 112.857 112.857 116.851 -3.994 25125 12133 1 18 . 1 1 82 82 THR HA H 82 4.914 4.914 4.535 0.379 25125 12134 1 18 . 1 1 82 82 THR C C 82 172.581 172.581 174.544 -1.963 25125 12135 1 18 . 1 1 82 82 THR CA C 82 59.561 59.561 63.768 -4.207 25125 12136 1 18 . 1 1 82 82 THR CB C 82 69.989 69.989 69.501 0.488 25125 12137 1 18 . 1 1 82 82 THR H H 82 7.623 7.623 8.543 -0.920 25125 12138 1 18 . 1 1 83 83 ALA N N 83 129.541 129.541 122.843 6.698 25125 12139 1 18 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.966 0.742 25125 12140 1 18 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.097 -1.559 25125 12141 1 18 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.982 2.165 25125 12142 1 18 . 1 1 83 83 ALA H H 83 9.149 9.149 8.233 0.916 25125 12143 1 18 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.479 -0.207 25125 12144 1 18 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.923 4.777 25125 12145 1 18 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.555 0.463 25125 12146 1 18 . 1 1 85 85 SER N N 85 112.633 112.633 115.065 -2.432 25125 12147 1 18 . 1 1 85 85 SER HA H 85 4.198 4.198 4.005 0.193 25125 12148 1 18 . 1 1 85 85 SER C C 85 174.506 174.506 173.291 1.215 25125 12149 1 18 . 1 1 85 85 SER CA C 85 59.823 59.823 60.802 -0.979 25125 12150 1 18 . 1 1 85 85 SER CB C 85 62.693 62.693 62.729 -0.036 25125 12151 1 18 . 1 1 85 85 SER H H 85 8.224 8.224 8.539 -0.315 25125 12152 1 18 . 1 1 86 86 ASP N N 86 120.886 120.886 124.418 -3.532 25125 12153 1 18 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.408 0.528 25125 12154 1 18 . 1 1 86 86 ASP C C 86 175.881 175.881 176.694 -0.813 25125 12155 1 18 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.621 -1.687 25125 12156 1 18 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.987 1.016 25125 12157 1 18 . 1 1 86 86 ASP H H 86 7.608 7.608 8.097 -0.489 25125 12158 1 18 . 1 1 87 87 LEU N N 87 121.913 121.913 121.547 0.366 25125 12159 1 18 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.800 0.119 25125 12160 1 18 . 1 1 87 87 LEU C C 87 177.586 177.586 177.758 -0.172 25125 12161 1 18 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.188 -0.350 25125 12162 1 18 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.784 0.531 25125 12163 1 18 . 1 1 87 87 LEU H H 87 7.498 7.498 7.454 0.044 25125 12164 1 18 . 1 1 88 88 ASP N N 88 117.621 117.621 118.366 -0.745 25125 12165 1 18 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.180 0.092 25125 12166 1 18 . 1 1 88 88 ASP C C 88 178.246 178.246 177.586 0.660 25125 12167 1 18 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.339 -0.529 25125 12168 1 18 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.518 -0.384 25125 12169 1 18 . 1 1 88 88 ASP H H 88 8.322 8.322 8.789 -0.467 25125 12170 1 18 . 1 1 89 89 ALA N N 89 122.874 122.874 120.450 2.424 25125 12171 1 18 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.339 -0.245 25125 12172 1 18 . 1 1 89 89 ALA C C 89 179.346 179.346 179.265 0.081 25125 12173 1 18 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.175 -0.022 25125 12174 1 18 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.592 -0.331 25125 12175 1 18 . 1 1 89 89 ALA H H 89 7.838 7.838 7.341 0.497 25125 12176 1 18 . 1 1 90 90 ALA N N 90 121.673 121.673 121.627 0.046 25125 12177 1 18 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.127 -0.194 25125 12178 1 18 . 1 1 90 90 ALA C C 90 178.686 178.686 180.248 -1.562 25125 12179 1 18 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.707 -0.044 25125 12180 1 18 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.093 0.289 25125 12181 1 18 . 1 1 90 90 ALA H H 90 7.896 7.896 7.680 0.216 25125 12182 1 18 . 1 1 91 91 VAL N N 91 117.749 117.749 119.856 -2.107 25125 12183 1 18 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.994 -0.382 25125 12184 1 18 . 1 1 91 91 VAL C C 91 178.411 178.411 177.970 0.441 25125 12185 1 18 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.184 -1.003 25125 12186 1 18 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.469 0.168 25125 12187 1 18 . 1 1 91 91 VAL H H 91 8.098 8.098 8.441 -0.343 25125 12188 1 18 . 1 1 92 92 SER N N 92 114.942 114.942 113.395 1.547 25125 12189 1 18 . 1 1 92 92 SER HA H 92 4.231 4.231 4.388 -0.157 25125 12190 1 18 . 1 1 92 92 SER C C 92 175.826 175.826 175.339 0.487 25125 12191 1 18 . 1 1 92 92 SER CA C 92 60.649 60.649 60.213 0.436 25125 12192 1 18 . 1 1 92 92 SER CB C 92 63.063 63.063 63.628 -0.565 25125 12193 1 18 . 1 1 92 92 SER H H 92 7.825 7.825 8.035 -0.210 25125 12194 1 18 . 1 1 93 93 ALA N N 93 122.580 122.580 123.351 -0.771 25125 12195 1 18 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.331 -0.274 25125 12196 1 18 . 1 1 93 93 ALA C C 93 178.906 178.906 179.439 -0.533 25125 12197 1 18 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.156 0.161 25125 12198 1 18 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.835 -0.538 25125 12199 1 18 . 1 1 93 93 ALA H H 93 7.861 7.861 8.236 -0.375 25125 12200 1 18 . 1 1 94 94 TYR N N 94 118.447 118.447 120.404 -1.957 25125 12201 1 18 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.292 0.200 25125 12202 1 18 . 1 1 94 94 TYR C C 94 177.393 177.393 177.153 0.240 25125 12203 1 18 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.054 -0.803 25125 12204 1 18 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.513 -0.079 25125 12205 1 18 . 1 1 94 94 TYR H H 94 8.150 8.150 7.882 0.268 25125 12206 1 18 . 1 1 95 95 GLN N N 95 119.787 119.787 115.598 4.189 25125 12207 1 18 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.053 -0.010 25125 12208 1 18 . 1 1 95 95 GLN C C 95 176.981 176.981 176.429 0.552 25125 12209 1 18 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.194 0.272 25125 12210 1 18 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.729 0.360 25125 12211 1 18 . 1 1 95 95 GLN H H 95 8.271 8.271 8.143 0.128 25125 12212 1 18 . 1 1 96 96 GLN N N 96 117.878 117.878 118.408 -0.530 25125 12213 1 18 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.241 0.104 25125 12214 1 18 . 1 1 96 96 GLN C C 96 175.854 175.854 176.494 -0.640 25125 12215 1 18 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.183 -0.012 25125 12216 1 18 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.001 0.474 25125 12217 1 18 . 1 1 96 96 GLN H H 96 7.944 7.944 7.680 0.264 25125 12218 1 18 . 1 1 97 97 GLY N N 97 106.670 106.670 105.822 0.848 25125 12219 1 18 . 1 1 97 97 GLY C C 97 174.231 174.231 173.135 1.096 25125 12220 1 18 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.717 0.769 25125 12221 1 18 . 1 1 97 97 GLY H H 97 7.949 7.949 8.140 -0.191 25125 12222 1 18 . 1 1 98 98 ALA N N 98 122.898 122.898 121.782 1.116 25125 12223 1 18 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.456 -0.081 25125 12224 1 18 . 1 1 98 98 ALA C C 98 175.991 175.991 175.444 0.547 25125 12225 1 18 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.143 2.025 25125 12226 1 18 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.337 -1.367 25125 12227 1 18 . 1 1 98 98 ALA H H 98 7.808 7.808 7.158 0.650 25125 12228 1 18 . 1 1 99 99 PHE N N 99 123.484 123.484 118.475 5.009 25125 12229 1 18 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.534 -0.184 25125 12230 1 18 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.235 2.221 25125 12231 1 18 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.661 -1.221 25125 12232 1 18 . 1 1 99 99 PHE H H 99 7.704 7.704 8.228 -0.524 25125 12233 1 18 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.897 0.607 25125 12234 1 18 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.233 -1.751 25125 12235 1 18 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.330 3.870 25125 12236 1 18 . 1 1 101 101 TYR N N 101 118.148 118.148 120.865 -2.717 25125 12237 1 18 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.507 0.941 25125 12238 1 18 . 1 1 101 101 TYR C C 101 173.159 173.159 174.346 -1.187 25125 12239 1 18 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.707 -0.720 25125 12240 1 18 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.093 2.805 25125 12241 1 18 . 1 1 101 101 TYR H H 101 9.546 9.546 7.272 2.274 25125 12242 1 18 . 1 1 102 102 LEU N N 102 124.100 124.100 120.330 3.770 25125 12243 1 18 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.070 -0.350 25125 12244 1 18 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.552 -1.053 25125 12245 1 18 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.571 -0.510 25125 12246 1 18 . 1 1 102 102 LEU H H 102 8.901 8.901 8.716 0.185 25125 12247 1 18 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.583 0.310 25125 12248 1 18 . 1 1 103 103 PRO C C 103 175.524 175.524 175.826 -0.302 25125 12249 1 18 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.902 -1.017 25125 12250 1 18 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.558 -0.751 25125 12251 1 18 . 1 1 104 104 LYS N N 104 118.848 118.848 120.659 -1.811 25125 12252 1 18 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.904 -0.391 25125 12253 1 18 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.576 0.642 25125 12254 1 18 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.345 2.399 25125 12255 1 18 . 1 1 104 104 LYS H H 104 8.279 8.279 8.062 0.217 25125 12256 1 18 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.263 0.036 25125 12257 1 18 . 1 1 105 105 PRO C C 105 175.001 175.001 175.865 -0.864 25125 12258 1 18 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.650 -0.256 25125 12259 1 18 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.065 2.030 25125 12260 1 18 . 1 1 106 106 PHE N N 106 116.607 116.607 114.907 1.700 25125 12261 1 18 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.719 0.451 25125 12262 1 18 . 1 1 106 106 PHE C C 106 175.221 175.221 174.272 0.949 25125 12263 1 18 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.117 -2.682 25125 12264 1 18 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.016 0.384 25125 12265 1 18 . 1 1 106 106 PHE H H 106 7.457 7.457 7.573 -0.116 25125 12266 1 18 . 1 1 107 107 ASP N N 107 122.214 122.214 122.113 0.101 25125 12267 1 18 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.105 -0.273 25125 12268 1 18 . 1 1 107 107 ASP C C 107 177.778 177.778 177.130 0.648 25125 12269 1 18 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.220 0.022 25125 12270 1 18 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.422 1.175 25125 12271 1 18 . 1 1 107 107 ASP H H 107 9.022 9.022 8.614 0.408 25125 12272 1 18 . 1 1 108 108 ILE N N 108 127.706 127.706 124.960 2.746 25125 12273 1 18 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.765 0.200 25125 12274 1 18 . 1 1 108 108 ILE C C 108 176.046 176.046 177.359 -1.313 25125 12275 1 18 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.618 -1.629 25125 12276 1 18 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.151 -0.397 25125 12277 1 18 . 1 1 108 108 ILE H H 108 8.860 8.860 8.769 0.091 25125 12278 1 18 . 1 1 109 109 ASP N N 109 120.058 120.058 119.423 0.635 25125 12279 1 18 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.373 0.015 25125 12280 1 18 . 1 1 109 109 ASP C C 109 179.786 179.786 178.711 1.075 25125 12281 1 18 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.559 -0.065 25125 12282 1 18 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.516 -0.462 25125 12283 1 18 . 1 1 109 109 ASP H H 109 8.079 8.079 8.587 -0.508 25125 12284 1 18 . 1 1 110 110 GLU N N 110 121.559 121.559 119.389 2.170 25125 12285 1 18 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.236 -0.168 25125 12286 1 18 . 1 1 110 110 GLU C C 110 179.043 179.043 178.469 0.574 25125 12287 1 18 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.709 0.117 25125 12288 1 18 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.888 -0.545 25125 12289 1 18 . 1 1 110 110 GLU H H 110 8.012 8.012 8.059 -0.047 25125 12290 1 18 . 1 1 111 111 ALA N N 111 122.267 122.267 123.395 -1.128 25125 12291 1 18 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.977 -0.223 25125 12292 1 18 . 1 1 111 111 ALA C C 111 178.493 178.493 179.486 -0.993 25125 12293 1 18 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.253 -0.081 25125 12294 1 18 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.243 0.139 25125 12295 1 18 . 1 1 111 111 ALA H H 111 7.897 7.897 8.043 -0.146 25125 12296 1 18 . 1 1 112 112 VAL N N 112 116.527 116.527 118.157 -1.630 25125 12297 1 18 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.571 -0.404 25125 12298 1 18 . 1 1 112 112 VAL C C 112 177.201 177.201 177.806 -0.605 25125 12299 1 18 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.853 0.292 25125 12300 1 18 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.316 0.236 25125 12301 1 18 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125 12302 1 18 . 1 1 113 113 ALA N N 113 119.895 119.895 121.025 -1.130 25125 12303 1 18 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.482 -0.344 25125 12304 1 18 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.967 0.865 25125 12305 1 18 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.860 -0.989 25125 12306 1 18 . 1 1 113 113 ALA H H 113 7.673 7.673 7.472 0.201 25125 12307 1 18 . 1 1 114 114 LEU N N 114 120.650 120.650 120.394 0.256 25125 12308 1 18 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.094 -0.011 25125 12309 1 18 . 1 1 114 114 LEU C C 114 178.466 178.466 178.467 -0.001 25125 12310 1 18 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.723 0.297 25125 12311 1 18 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.051 -0.218 25125 12312 1 18 . 1 1 114 114 LEU H H 114 7.840 7.840 7.746 0.094 25125 12313 1 18 . 1 1 115 115 VAL N N 115 119.480 119.480 118.103 1.377 25125 12314 1 18 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.495 -0.283 25125 12315 1 18 . 1 1 115 115 VAL C C 115 177.448 177.448 176.878 0.570 25125 12316 1 18 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.636 1.565 25125 12317 1 18 . 1 1 115 115 VAL CB C 115 30.672 30.672 32.028 -1.356 25125 12318 1 18 . 1 1 115 115 VAL H H 115 7.824 7.824 8.009 -0.185 25125 12319 1 18 . 1 1 116 116 GLU N N 116 117.473 117.473 119.427 -1.954 25125 12320 1 18 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.877 -0.088 25125 12321 1 18 . 1 1 116 116 GLU C C 116 179.566 179.566 178.911 0.655 25125 12322 1 18 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.712 0.218 25125 12323 1 18 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.199 -0.103 25125 12324 1 18 . 1 1 116 116 GLU H H 116 8.465 8.465 7.549 0.916 25125 12325 1 18 . 1 1 117 117 ARG N N 117 120.128 120.128 118.888 1.240 25125 12326 1 18 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.047 0.017 25125 12327 1 18 . 1 1 117 117 ARG C C 117 178.438 178.438 178.198 0.240 25125 12328 1 18 . 1 1 117 117 ARG CA C 117 59.278 59.278 59.026 0.252 25125 12329 1 18 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.704 0.573 25125 12330 1 18 . 1 1 117 117 ARG H H 117 8.012 8.012 7.445 0.567 25125 12331 1 18 . 1 1 118 118 ALA N N 118 122.270 122.270 120.919 1.351 25125 12332 1 18 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.743 -0.287 25125 12333 1 18 . 1 1 118 118 ALA C C 118 178.741 178.741 179.149 -0.408 25125 12334 1 18 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.513 0.065 25125 12335 1 18 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.031 0.127 25125 12336 1 18 . 1 1 118 118 ALA H H 118 7.958 7.958 7.355 0.603 25125 12337 1 18 . 1 1 119 119 ILE N N 119 115.269 115.269 116.826 -1.557 25125 12338 1 18 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.811 -0.083 25125 12339 1 18 . 1 1 119 119 ILE C C 119 177.366 177.366 178.383 -1.017 25125 12340 1 18 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.724 -1.055 25125 12341 1 18 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.104 -0.306 25125 12342 1 18 . 1 1 119 119 ILE H H 119 7.753 7.753 7.470 0.283 25125 12343 1 18 . 1 1 120 120 SER N N 120 115.135 115.135 115.232 -0.097 25125 12344 1 18 . 1 1 120 120 SER HA H 120 4.275 4.275 4.070 0.205 25125 12345 1 18 . 1 1 120 120 SER C C 120 175.084 175.084 175.614 -0.530 25125 12346 1 18 . 1 1 120 120 SER CA C 120 59.816 59.816 61.810 -1.994 25125 12347 1 18 . 1 1 120 120 SER CB C 120 63.380 63.380 62.838 0.542 25125 12348 1 18 . 1 1 120 120 SER H H 120 7.816 7.816 8.318 -0.502 25125 12349 1 18 . 1 1 121 121 HIS N N 121 119.908 119.908 119.663 0.245 25125 12350 1 18 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.143 0.279 25125 12351 1 18 . 1 1 121 121 HIS C C 121 175.029 175.029 176.483 -1.454 25125 12352 1 18 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.969 -1.733 25125 12353 1 18 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.779 -0.351 25125 12354 1 18 . 1 1 121 121 HIS H H 121 7.910 7.910 8.003 -0.093 25125 12355 1 18 . 1 1 122 122 TYR N N 122 118.880 118.880 116.623 2.257 25125 12356 1 18 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.641 -0.215 25125 12357 1 18 . 1 1 122 122 TYR C C 122 175.276 175.276 176.779 -1.503 25125 12358 1 18 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.071 -0.622 25125 12359 1 18 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.207 -0.603 25125 12360 1 18 . 1 1 122 122 TYR H H 122 7.766 7.766 7.656 0.110 25125 12361 1 18 . 1 1 123 123 GLN N N 123 121.479 121.479 118.293 3.186 25125 12362 1 18 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.546 -0.276 25125 12363 1 18 . 1 1 123 123 GLN C C 123 174.534 174.534 175.200 -0.666 25125 12364 1 18 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.271 0.241 25125 12365 1 18 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.584 1.184 25125 12366 1 18 . 1 1 123 123 GLN H H 123 7.878 7.878 7.766 0.112 25125 12367 1 19 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.555 -0.122 25125 12368 1 19 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.378 0.186 25125 12369 1 19 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.423 2.177 25125 12370 1 19 . 1 1 3 3 ARG N N 3 121.252 121.252 118.908 2.344 25125 12371 1 19 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.164 0.201 25125 12372 1 19 . 1 1 3 3 ARG C C 3 175.634 175.634 175.942 -0.308 25125 12373 1 19 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.788 -0.797 25125 12374 1 19 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.248 1.049 25125 12375 1 19 . 1 1 3 3 ARG H H 3 8.429 8.429 7.423 1.006 25125 12376 1 19 . 1 1 4 4 GLY N N 4 107.663 107.663 108.409 -0.746 25125 12377 1 19 . 1 1 4 4 GLY C C 4 171.041 171.041 173.212 -2.171 25125 12378 1 19 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.451 0.865 25125 12379 1 19 . 1 1 4 4 GLY H H 4 7.963 7.963 7.615 0.348 25125 12380 1 19 . 1 1 5 5 ILE N N 5 122.603 122.603 126.614 -4.011 25125 12381 1 19 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.011 0.688 25125 12382 1 19 . 1 1 5 5 ILE C C 5 175.359 175.359 174.738 0.621 25125 12383 1 19 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.755 -1.145 25125 12384 1 19 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.536 0.040 25125 12385 1 19 . 1 1 5 5 ILE H H 5 9.610 9.610 8.194 1.416 25125 12386 1 19 . 1 1 6 6 VAL N N 6 127.905 127.905 125.098 2.807 25125 12387 1 19 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.972 -0.160 25125 12388 1 19 . 1 1 6 6 VAL C C 6 174.204 174.204 175.206 -1.002 25125 12389 1 19 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.558 -0.999 25125 12390 1 19 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.034 0.492 25125 12391 1 19 . 1 1 6 6 VAL H H 6 9.090 9.090 7.919 1.171 25125 12392 1 19 . 1 1 7 7 TRP N N 7 127.467 127.467 127.450 0.017 25125 12393 1 19 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.212 1.242 25125 12394 1 19 . 1 1 7 7 TRP C C 7 175.056 175.056 175.037 0.019 25125 12395 1 19 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.451 -1.573 25125 12396 1 19 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.876 1.258 25125 12397 1 19 . 1 1 7 7 TRP H H 7 8.497 8.497 8.651 -0.154 25125 12398 1 19 . 1 1 8 8 VAL N N 8 122.068 122.068 122.544 -0.476 25125 12399 1 19 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.388 0.698 25125 12400 1 19 . 1 1 8 8 VAL C C 8 173.874 173.874 173.835 0.039 25125 12401 1 19 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.357 -0.871 25125 12402 1 19 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.650 1.065 25125 12403 1 19 . 1 1 8 8 VAL H H 8 8.583 8.583 9.243 -0.660 25125 12404 1 19 . 1 1 9 9 VAL N N 9 127.733 127.733 124.911 2.822 25125 12405 1 19 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.517 0.444 25125 12406 1 19 . 1 1 9 9 VAL C C 9 173.131 173.131 173.236 -0.105 25125 12407 1 19 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.741 -1.066 25125 12408 1 19 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.772 0.139 25125 12409 1 19 . 1 1 9 9 VAL H H 9 9.107 9.107 8.716 0.391 25125 12410 1 19 . 1 1 10 10 ASP N N 10 124.306 124.306 127.141 -2.835 25125 12411 1 19 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.996 -0.427 25125 12412 1 19 . 1 1 10 10 ASP C C 10 175.029 175.029 175.755 -0.726 25125 12413 1 19 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.971 1.776 25125 12414 1 19 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.374 -0.265 25125 12415 1 19 . 1 1 10 10 ASP H H 10 7.775 7.775 7.960 -0.185 25125 12416 1 19 . 1 1 11 11 ASP N N 11 126.714 126.714 120.145 6.569 25125 12417 1 19 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.652 -0.117 25125 12418 1 19 . 1 1 11 11 ASP C C 11 175.689 175.689 175.365 0.324 25125 12419 1 19 . 1 1 11 11 ASP CA C 11 55.718 55.718 55.030 0.688 25125 12420 1 19 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.520 0.554 25125 12421 1 19 . 1 1 11 11 ASP H H 11 9.033 9.033 8.733 0.300 25125 12422 1 19 . 1 1 12 12 ASP N N 12 121.877 121.877 118.109 3.768 25125 12423 1 19 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.906 -0.260 25125 12424 1 19 . 1 1 12 12 ASP C C 12 177.036 177.036 176.775 0.261 25125 12425 1 19 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.633 -0.330 25125 12426 1 19 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.041 -2.877 25125 12427 1 19 . 1 1 12 12 ASP H H 12 9.570 9.570 7.944 1.626 25125 12428 1 19 . 1 1 13 13 SER N N 13 123.799 123.799 120.190 3.609 25125 12429 1 19 . 1 1 13 13 SER HA H 13 3.761 3.761 4.261 -0.500 25125 12430 1 19 . 1 1 13 13 SER C C 13 176.156 176.156 175.878 0.278 25125 12431 1 19 . 1 1 13 13 SER CA C 13 61.186 61.186 61.864 -0.678 25125 12432 1 19 . 1 1 13 13 SER CB C 13 62.749 62.749 63.225 -0.476 25125 12433 1 19 . 1 1 13 13 SER H H 13 8.850 8.850 8.855 -0.005 25125 12434 1 19 . 1 1 14 14 SER N N 14 119.123 119.123 117.643 1.480 25125 12435 1 19 . 1 1 14 14 SER HA H 14 4.361 4.361 4.427 -0.066 25125 12436 1 19 . 1 1 14 14 SER C C 14 176.404 176.404 176.588 -0.184 25125 12437 1 19 . 1 1 14 14 SER CA C 14 61.730 61.730 61.422 0.308 25125 12438 1 19 . 1 1 14 14 SER CB C 14 62.548 62.548 62.654 -0.106 25125 12439 1 19 . 1 1 14 14 SER H H 14 8.531 8.531 8.839 -0.308 25125 12440 1 19 . 1 1 15 15 ILE N N 15 123.637 123.637 122.955 0.682 25125 12441 1 19 . 1 1 15 15 ILE HA H 15 3.945 3.945 4.150 -0.205 25125 12442 1 19 . 1 1 15 15 ILE C C 15 177.861 177.861 177.465 0.396 25125 12443 1 19 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.718 -1.518 25125 12444 1 19 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.225 -1.339 25125 12445 1 19 . 1 1 15 15 ILE H H 15 7.206 7.206 7.789 -0.583 25125 12446 1 19 . 1 1 16 16 ARG N N 16 116.694 116.694 120.009 -3.315 25125 12447 1 19 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.604 -0.881 25125 12448 1 19 . 1 1 16 16 ARG C C 16 177.448 177.448 178.626 -1.178 25125 12449 1 19 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.725 2.848 25125 12450 1 19 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.183 0.264 25125 12451 1 19 . 1 1 16 16 ARG H H 16 7.562 7.562 8.011 -0.449 25125 12452 1 19 . 1 1 17 17 TRP N N 17 116.848 116.848 123.098 -6.250 25125 12453 1 19 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.553 -0.082 25125 12454 1 19 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.896 -0.456 25125 12455 1 19 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.963 -0.671 25125 12456 1 19 . 1 1 17 17 TRP H H 17 8.005 8.005 8.562 -0.557 25125 12457 1 19 . 1 1 18 18 VAL N N 18 116.964 116.964 117.384 -0.420 25125 12458 1 19 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.819 0.856 25125 12459 1 19 . 1 1 18 18 VAL C C 18 179.181 179.181 177.626 1.555 25125 12460 1 19 . 1 1 18 18 VAL CA C 18 65.708 65.708 66.062 -0.354 25125 12461 1 19 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.049 0.588 25125 12462 1 19 . 1 1 18 18 VAL H H 18 8.110 8.110 7.671 0.439 25125 12463 1 19 . 1 1 19 19 LEU N N 19 120.186 120.186 118.933 1.253 25125 12464 1 19 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.006 0.069 25125 12465 1 19 . 1 1 19 19 LEU C C 19 177.778 177.778 179.106 -1.328 25125 12466 1 19 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.818 0.004 25125 12467 1 19 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.402 0.379 25125 12468 1 19 . 1 1 19 19 LEU H H 19 8.073 8.073 7.538 0.535 25125 12469 1 19 . 1 1 20 20 GLU N N 20 120.193 120.193 118.974 1.219 25125 12470 1 19 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.884 0.057 25125 12471 1 19 . 1 1 20 20 GLU C C 20 178.603 178.603 178.966 -0.363 25125 12472 1 19 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.587 1.023 25125 12473 1 19 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.436 -0.348 25125 12474 1 19 . 1 1 20 20 GLU H H 20 8.387 8.387 7.656 0.731 25125 12475 1 19 . 1 1 21 21 ARG N N 21 116.076 116.076 117.862 -1.786 25125 12476 1 19 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.015 -0.122 25125 12477 1 19 . 1 1 21 21 ARG C C 21 179.676 179.676 178.411 1.265 25125 12478 1 19 . 1 1 21 21 ARG CA C 21 58.449 58.449 56.861 1.589 25125 12479 1 19 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.864 0.989 25125 12480 1 19 . 1 1 21 21 ARG H H 21 7.602 7.602 7.560 0.042 25125 12481 1 19 . 1 1 22 22 ALA N N 22 122.405 122.405 122.266 0.139 25125 12482 1 19 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.059 0.038 25125 12483 1 19 . 1 1 22 22 ALA C C 22 180.501 180.501 180.009 0.492 25125 12484 1 19 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.914 -0.336 25125 12485 1 19 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.085 1.147 25125 12486 1 19 . 1 1 22 22 ALA H H 22 7.992 7.992 7.783 0.209 25125 12487 1 19 . 1 1 23 23 LEU N N 23 118.026 118.026 117.084 0.942 25125 12488 1 19 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.125 -0.124 25125 12489 1 19 . 1 1 23 23 LEU C C 23 178.878 178.878 178.953 -0.075 25125 12490 1 19 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.873 0.848 25125 12491 1 19 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.594 -1.939 25125 12492 1 19 . 1 1 23 23 LEU H H 23 8.825 8.825 7.448 1.377 25125 12493 1 19 . 1 1 24 24 ALA N N 24 122.159 122.159 122.750 -0.591 25125 12494 1 19 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.960 0.673 25125 12495 1 19 . 1 1 24 24 ALA C C 24 183.141 183.141 179.490 3.651 25125 12496 1 19 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.878 -0.131 25125 12497 1 19 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.305 -0.603 25125 12498 1 19 . 1 1 24 24 ALA H H 24 8.125 8.125 7.684 0.441 25125 12499 1 19 . 1 1 25 25 GLY N N 25 106.891 106.891 104.250 2.641 25125 12500 1 19 . 1 1 25 25 GLY C C 25 174.286 174.286 175.180 -0.894 25125 12501 1 19 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.491 0.930 25125 12502 1 19 . 1 1 25 25 GLY H H 25 7.870 7.870 7.999 -0.129 25125 12503 1 19 . 1 1 26 26 ALA N N 26 121.819 121.819 123.735 -1.916 25125 12504 1 19 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.455 0.044 25125 12505 1 19 . 1 1 26 26 ALA C C 26 176.953 176.953 178.080 -1.127 25125 12506 1 19 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.825 -0.306 25125 12507 1 19 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.022 -0.300 25125 12508 1 19 . 1 1 26 26 ALA H H 26 7.285 7.285 7.253 0.032 25125 12509 1 19 . 1 1 27 27 GLY N N 27 106.197 106.197 106.784 -0.587 25125 12510 1 19 . 1 1 27 27 GLY C C 27 173.956 173.956 173.448 0.508 25125 12511 1 19 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.191 0.125 25125 12512 1 19 . 1 1 27 27 GLY H H 27 7.824 7.824 7.882 -0.058 25125 12513 1 19 . 1 1 28 28 LEU N N 28 120.291 120.291 118.304 1.987 25125 12514 1 19 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.730 -0.155 25125 12515 1 19 . 1 1 28 28 LEU C C 28 175.881 175.881 176.274 -0.393 25125 12516 1 19 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.970 0.673 25125 12517 1 19 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.153 -1.668 25125 12518 1 19 . 1 1 28 28 LEU H H 28 7.678 7.678 7.746 -0.068 25125 12519 1 19 . 1 1 29 29 THR N N 29 118.040 118.040 117.742 0.298 25125 12520 1 19 . 1 1 29 29 THR HA H 29 4.335 4.335 4.182 0.153 25125 12521 1 19 . 1 1 29 29 THR C C 29 173.186 173.186 173.811 -0.625 25125 12522 1 19 . 1 1 29 29 THR CA C 29 62.479 62.479 64.402 -1.923 25125 12523 1 19 . 1 1 29 29 THR CB C 29 69.465 69.465 69.436 0.029 25125 12524 1 19 . 1 1 29 29 THR H H 29 8.527 8.527 8.471 0.056 25125 12525 1 19 . 1 1 30 30 CYS N N 30 128.387 128.387 120.400 7.987 25125 12526 1 19 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.478 0.465 25125 12527 1 19 . 1 1 30 30 CYS C C 30 173.846 173.846 174.033 -0.187 25125 12528 1 19 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.877 -0.515 25125 12529 1 19 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.046 -1.566 25125 12530 1 19 . 1 1 30 30 CYS H H 30 8.968 8.968 8.430 0.538 25125 12531 1 19 . 1 1 31 31 THR N N 31 126.481 126.481 123.990 2.491 25125 12532 1 19 . 1 1 31 31 THR HA H 31 4.433 4.433 4.516 -0.083 25125 12533 1 19 . 1 1 31 31 THR C C 31 172.609 172.609 173.746 -1.137 25125 12534 1 19 . 1 1 31 31 THR CA C 31 61.951 61.951 61.954 -0.003 25125 12535 1 19 . 1 1 31 31 THR CB C 31 70.567 70.567 70.573 -0.006 25125 12536 1 19 . 1 1 31 31 THR H H 31 8.614 8.614 8.495 0.119 25125 12537 1 19 . 1 1 32 32 THR N N 32 116.418 116.418 118.617 -2.199 25125 12538 1 19 . 1 1 32 32 THR HA H 32 5.330 5.330 5.225 0.105 25125 12539 1 19 . 1 1 32 32 THR C C 32 172.306 172.306 172.949 -0.643 25125 12540 1 19 . 1 1 32 32 THR CA C 32 59.173 59.173 60.185 -1.012 25125 12541 1 19 . 1 1 32 32 THR CB C 32 70.917 70.917 69.796 1.121 25125 12542 1 19 . 1 1 32 32 THR H H 32 8.299 8.299 8.249 0.050 25125 12543 1 19 . 1 1 33 33 PHE N N 33 118.067 118.067 126.366 -8.299 25125 12544 1 19 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.499 0.144 25125 12545 1 19 . 1 1 33 33 PHE C C 33 174.341 174.341 174.977 -0.636 25125 12546 1 19 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.484 -1.952 25125 12547 1 19 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.812 2.498 25125 12548 1 19 . 1 1 33 33 PHE H H 33 8.890 8.890 8.695 0.195 25125 12549 1 19 . 1 1 34 34 GLU N N 34 118.499 118.499 111.869 6.630 25125 12550 1 19 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.481 -0.127 25125 12551 1 19 . 1 1 34 34 GLU C C 34 175.414 175.414 174.260 1.154 25125 12552 1 19 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.403 0.290 25125 12553 1 19 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.656 0.811 25125 12554 1 19 . 1 1 34 34 GLU H H 34 9.023 9.023 8.468 0.555 25125 12555 1 19 . 1 1 35 35 ASN N N 35 109.907 109.907 118.256 -8.349 25125 12556 1 19 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.997 -0.216 25125 12557 1 19 . 1 1 35 35 ASN C C 35 175.139 175.139 176.885 -1.746 25125 12558 1 19 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.213 -0.067 25125 12559 1 19 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.085 1.238 25125 12560 1 19 . 1 1 35 35 ASN H H 35 7.401 7.401 8.078 -0.677 25125 12561 1 19 . 1 1 36 36 GLY N N 36 106.739 106.739 109.602 -2.863 25125 12562 1 19 . 1 1 36 36 GLY C C 36 174.616 174.616 175.856 -1.240 25125 12563 1 19 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.093 -0.077 25125 12564 1 19 . 1 1 36 36 GLY H H 36 8.877 8.877 8.878 -0.001 25125 12565 1 19 . 1 1 37 37 ASN N N 37 120.462 120.462 119.456 1.006 25125 12566 1 19 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.463 -0.101 25125 12567 1 19 . 1 1 37 37 ASN C C 37 178.686 178.686 176.412 2.274 25125 12568 1 19 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.599 0.933 25125 12569 1 19 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.189 -0.605 25125 12570 1 19 . 1 1 37 37 ASN H H 37 8.366 8.366 8.660 -0.294 25125 12571 1 19 . 1 1 38 38 GLU N N 38 119.360 119.360 118.314 1.046 25125 12572 1 19 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.233 -0.163 25125 12573 1 19 . 1 1 38 38 GLU C C 38 179.263 179.263 177.520 1.743 25125 12574 1 19 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.829 0.803 25125 12575 1 19 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.933 0.599 25125 12576 1 19 . 1 1 38 38 GLU H H 38 7.990 7.990 7.724 0.266 25125 12577 1 19 . 1 1 39 39 VAL N N 39 119.259 119.259 118.420 0.839 25125 12578 1 19 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.222 -0.454 25125 12579 1 19 . 1 1 39 39 VAL C C 39 176.431 176.431 177.251 -0.820 25125 12580 1 19 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.380 1.563 25125 12581 1 19 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.508 -0.433 25125 12582 1 19 . 1 1 39 39 VAL H H 39 6.883 6.883 7.757 -0.874 25125 12583 1 19 . 1 1 40 40 LEU N N 40 119.627 119.627 121.472 -1.845 25125 12584 1 19 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.905 0.022 25125 12585 1 19 . 1 1 40 40 LEU C C 40 179.538 179.538 178.757 0.781 25125 12586 1 19 . 1 1 40 40 LEU CA C 40 57.940 57.940 59.044 -1.104 25125 12587 1 19 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.404 -0.336 25125 12588 1 19 . 1 1 40 40 LEU H H 40 7.692 7.692 7.607 0.085 25125 12589 1 19 . 1 1 41 41 ALA N N 41 120.051 120.051 119.808 0.243 25125 12590 1 19 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.037 0.103 25125 12591 1 19 . 1 1 41 41 ALA C C 41 180.528 180.528 179.030 1.498 25125 12592 1 19 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.685 -0.035 25125 12593 1 19 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.045 -0.179 25125 12594 1 19 . 1 1 41 41 ALA H H 41 7.553 7.553 7.779 -0.226 25125 12595 1 19 . 1 1 42 42 ALA N N 42 122.731 122.731 121.006 1.725 25125 12596 1 19 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.153 0.046 25125 12597 1 19 . 1 1 42 42 ALA C C 42 180.198 180.198 179.869 0.329 25125 12598 1 19 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.542 0.490 25125 12599 1 19 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.004 1.395 25125 12600 1 19 . 1 1 42 42 ALA H H 42 7.604 7.604 7.576 0.028 25125 12601 1 19 . 1 1 43 43 LEU N N 43 119.131 119.131 118.500 0.631 25125 12602 1 19 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.083 1.123 25125 12603 1 19 . 1 1 43 43 LEU C C 43 177.421 177.421 178.909 -1.488 25125 12604 1 19 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.389 -1.843 25125 12605 1 19 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.480 1.124 25125 12606 1 19 . 1 1 43 43 LEU H H 43 8.288 8.288 7.823 0.465 25125 12607 1 19 . 1 1 44 44 ALA N N 44 119.065 119.065 118.179 0.886 25125 12608 1 19 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.116 0.113 25125 12609 1 19 . 1 1 44 44 ALA C C 44 178.686 178.686 179.038 -0.352 25125 12610 1 19 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.297 -0.059 25125 12611 1 19 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.544 -0.028 25125 12612 1 19 . 1 1 44 44 ALA H H 44 7.302 7.302 7.822 -0.520 25125 12613 1 19 . 1 1 45 45 SER N N 45 108.656 108.656 113.182 -4.526 25125 12614 1 19 . 1 1 45 45 SER HA H 45 4.742 4.742 4.483 0.259 25125 12615 1 19 . 1 1 45 45 SER C C 45 173.296 173.296 174.390 -1.094 25125 12616 1 19 . 1 1 45 45 SER CA C 45 58.656 58.656 59.790 -1.134 25125 12617 1 19 . 1 1 45 45 SER CB C 45 65.407 65.407 64.317 1.090 25125 12618 1 19 . 1 1 45 45 SER H H 45 7.728 7.728 7.725 0.003 25125 12619 1 19 . 1 1 46 46 LYS N N 46 123.016 123.016 120.598 2.418 25125 12620 1 19 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.433 0.153 25125 12621 1 19 . 1 1 46 46 LYS C C 46 172.719 172.719 175.287 -2.568 25125 12622 1 19 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.392 -0.879 25125 12623 1 19 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.486 2.739 25125 12624 1 19 . 1 1 46 46 LYS H H 46 8.101 8.101 7.391 0.710 25125 12625 1 19 . 1 1 47 47 THR N N 47 111.780 111.780 122.498 -10.718 25125 12626 1 19 . 1 1 47 47 THR HA H 47 4.282 4.282 4.145 0.137 25125 12627 1 19 . 1 1 47 47 THR CA C 47 57.806 57.806 61.369 -3.563 25125 12628 1 19 . 1 1 47 47 THR CB C 47 70.594 70.594 68.174 2.420 25125 12629 1 19 . 1 1 47 47 THR H H 47 7.677 7.677 8.184 -0.507 25125 12630 1 19 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.947 -0.042 25125 12631 1 19 . 1 1 48 48 PRO C C 48 172.966 172.966 175.272 -2.306 25125 12632 1 19 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.155 -1.290 25125 12633 1 19 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.623 -1.346 25125 12634 1 19 . 1 1 49 49 ASP N N 49 115.035 115.035 117.297 -2.262 25125 12635 1 19 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.766 -0.322 25125 12636 1 19 . 1 1 49 49 ASP C C 49 175.634 175.634 175.510 0.124 25125 12637 1 19 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.688 1.759 25125 12638 1 19 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.210 -0.698 25125 12639 1 19 . 1 1 49 49 ASP H H 49 8.502 8.502 7.995 0.507 25125 12640 1 19 . 1 1 50 50 VAL N N 50 112.082 112.082 116.052 -3.970 25125 12641 1 19 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.678 -0.398 25125 12642 1 19 . 1 1 50 50 VAL C C 50 171.454 171.454 173.081 -1.627 25125 12643 1 19 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.066 -0.504 25125 12644 1 19 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.724 -0.087 25125 12645 1 19 . 1 1 50 50 VAL H H 50 7.173 7.173 7.200 -0.027 25125 12646 1 19 . 1 1 51 51 LEU N N 51 128.247 128.247 123.098 5.149 25125 12647 1 19 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.344 -0.025 25125 12648 1 19 . 1 1 51 51 LEU C C 51 173.104 173.104 175.600 -2.496 25125 12649 1 19 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.312 -0.094 25125 12650 1 19 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.302 0.204 25125 12651 1 19 . 1 1 51 51 LEU H H 51 8.059 8.059 7.867 0.192 25125 12652 1 19 . 1 1 52 52 LEU N N 52 128.407 128.407 120.687 7.720 25125 12653 1 19 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.711 0.790 25125 12654 1 19 . 1 1 52 52 LEU C C 52 175.414 175.414 176.176 -0.762 25125 12655 1 19 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.101 0.222 25125 12656 1 19 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.329 2.192 25125 12657 1 19 . 1 1 52 52 LEU H H 52 9.242 9.242 8.155 1.087 25125 12658 1 19 . 1 1 53 53 SER N N 53 114.946 114.946 116.826 -1.880 25125 12659 1 19 . 1 1 53 53 SER HA H 53 5.595 5.595 4.263 1.332 25125 12660 1 19 . 1 1 53 53 SER C C 53 174.644 174.644 173.984 0.660 25125 12661 1 19 . 1 1 53 53 SER CA C 53 55.954 55.954 58.999 -3.045 25125 12662 1 19 . 1 1 53 53 SER CB C 53 66.473 66.473 64.397 2.076 25125 12663 1 19 . 1 1 53 53 SER H H 53 8.695 8.695 7.937 0.758 25125 12664 1 19 . 1 1 54 54 ASP N N 54 128.341 128.341 125.357 2.984 25125 12665 1 19 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.789 0.536 25125 12666 1 19 . 1 1 54 54 ASP C C 54 176.816 176.816 176.302 0.514 25125 12667 1 19 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.428 1.065 25125 12668 1 19 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.049 -0.721 25125 12669 1 19 . 1 1 54 54 ASP H H 54 7.886 7.886 7.917 -0.031 25125 12670 1 19 . 1 1 55 55 ILE N N 55 121.229 121.229 118.174 3.055 25125 12671 1 19 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.768 0.416 25125 12672 1 19 . 1 1 55 55 ILE C C 55 175.084 175.084 174.148 0.936 25125 12673 1 19 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.977 -0.436 25125 12674 1 19 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.113 2.916 25125 12675 1 19 . 1 1 55 55 ILE H H 55 8.722 8.722 8.091 0.631 25125 12676 1 19 . 1 1 56 56 ARG N N 56 124.188 124.188 121.587 2.601 25125 12677 1 19 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.548 -0.043 25125 12678 1 19 . 1 1 56 56 ARG C C 56 175.661 175.661 174.761 0.900 25125 12679 1 19 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.469 -0.028 25125 12680 1 19 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.060 -1.698 25125 12681 1 19 . 1 1 56 56 ARG H H 56 8.499 8.499 8.493 0.006 25125 12682 1 19 . 1 1 57 57 MET N N 57 122.581 122.581 116.523 6.058 25125 12683 1 19 . 1 1 57 57 MET HA H 57 4.821 4.821 5.182 -0.361 25125 12684 1 19 . 1 1 57 57 MET CA C 57 53.132 53.132 52.190 0.942 25125 12685 1 19 . 1 1 57 57 MET CB C 57 33.445 33.445 32.567 0.878 25125 12686 1 19 . 1 1 57 57 MET H H 57 7.956 7.956 7.772 0.184 25125 12687 1 19 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.513 -0.120 25125 12688 1 19 . 1 1 58 58 PRO C C 58 177.806 177.806 178.305 -0.499 25125 12689 1 19 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.005 0.494 25125 12690 1 19 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.583 -0.776 25125 12691 1 19 . 1 1 59 59 GLY N N 59 111.082 111.082 107.181 3.901 25125 12692 1 19 . 1 1 59 59 GLY C C 59 173.626 173.626 174.591 -0.965 25125 12693 1 19 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.783 -0.193 25125 12694 1 19 . 1 1 59 59 GLY H H 59 8.653 8.653 8.533 0.120 25125 12695 1 19 . 1 1 60 60 MET N N 60 120.052 120.052 122.127 -2.075 25125 12696 1 19 . 1 1 60 60 MET HA H 60 4.525 4.525 4.424 0.101 25125 12697 1 19 . 1 1 60 60 MET C C 60 173.956 173.956 175.596 -1.640 25125 12698 1 19 . 1 1 60 60 MET CA C 60 55.047 55.047 55.504 -0.457 25125 12699 1 19 . 1 1 60 60 MET CB C 60 34.506 34.506 33.376 1.130 25125 12700 1 19 . 1 1 60 60 MET H H 60 7.968 7.968 8.023 -0.055 25125 12701 1 19 . 1 1 61 61 ASP N N 61 121.306 121.306 120.563 0.743 25125 12702 1 19 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.749 -0.045 25125 12703 1 19 . 1 1 61 61 ASP C C 61 176.761 176.761 177.295 -0.534 25125 12704 1 19 . 1 1 61 61 ASP CA C 61 53.729 53.729 54.180 -0.451 25125 12705 1 19 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.286 -0.217 25125 12706 1 19 . 1 1 61 61 ASP H H 61 8.379 8.379 8.450 -0.071 25125 12707 1 19 . 1 1 62 62 GLY N N 62 110.874 110.874 108.612 2.262 25125 12708 1 19 . 1 1 62 62 GLY C C 62 175.194 175.194 175.841 -0.647 25125 12709 1 19 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.641 0.460 25125 12710 1 19 . 1 1 62 62 GLY H H 62 8.707 8.707 8.406 0.301 25125 12711 1 19 . 1 1 63 63 LEU N N 63 121.299 121.299 121.047 0.252 25125 12712 1 19 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.621 -0.444 25125 12713 1 19 . 1 1 63 63 LEU C C 63 178.356 178.356 178.183 0.173 25125 12714 1 19 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.798 1.080 25125 12715 1 19 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.513 0.725 25125 12716 1 19 . 1 1 63 63 LEU H H 63 8.045 8.045 7.712 0.333 25125 12717 1 19 . 1 1 64 64 ALA N N 64 122.741 122.741 123.332 -0.591 25125 12718 1 19 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.052 0.010 25125 12719 1 19 . 1 1 64 64 ALA C C 64 180.556 180.556 179.142 1.414 25125 12720 1 19 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.209 -0.594 25125 12721 1 19 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.131 -0.131 25125 12722 1 19 . 1 1 64 64 ALA H H 64 7.859 7.859 8.193 -0.334 25125 12723 1 19 . 1 1 65 65 LEU N N 65 120.287 120.287 115.043 5.244 25125 12724 1 19 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.446 -0.384 25125 12725 1 19 . 1 1 65 65 LEU C C 65 178.191 178.191 178.645 -0.454 25125 12726 1 19 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.828 1.191 25125 12727 1 19 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.126 -0.888 25125 12728 1 19 . 1 1 65 65 LEU H H 65 8.022 8.022 7.642 0.380 25125 12729 1 19 . 1 1 66 66 LEU N N 66 118.738 118.738 121.067 -2.329 25125 12730 1 19 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.092 -0.234 25125 12731 1 19 . 1 1 66 66 LEU C C 66 178.631 178.631 178.958 -0.327 25125 12732 1 19 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.985 1.361 25125 12733 1 19 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.749 0.489 25125 12734 1 19 . 1 1 66 66 LEU H H 66 8.101 8.101 7.665 0.436 25125 12735 1 19 . 1 1 67 67 LYS N N 67 117.842 117.842 117.774 0.068 25125 12736 1 19 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.348 -0.366 25125 12737 1 19 . 1 1 67 67 LYS C C 67 179.263 179.263 179.055 0.208 25125 12738 1 19 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.189 0.608 25125 12739 1 19 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.375 -0.168 25125 12740 1 19 . 1 1 67 67 LYS H H 67 8.010 8.010 8.406 -0.396 25125 12741 1 19 . 1 1 68 68 GLN N N 68 118.875 118.875 118.767 0.108 25125 12742 1 19 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.262 -0.206 25125 12743 1 19 . 1 1 68 68 GLN C C 68 179.071 179.071 177.822 1.249 25125 12744 1 19 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.038 1.035 25125 12745 1 19 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.066 0.545 25125 12746 1 19 . 1 1 68 68 GLN H H 68 7.809 7.809 7.744 0.065 25125 12747 1 19 . 1 1 69 69 ILE N N 69 120.377 120.377 121.285 -0.908 25125 12748 1 19 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.781 -0.251 25125 12749 1 19 . 1 1 69 69 ILE C C 69 177.421 177.421 178.098 -0.677 25125 12750 1 19 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.161 0.717 25125 12751 1 19 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.480 0.103 25125 12752 1 19 . 1 1 69 69 ILE H H 69 8.481 8.481 7.835 0.646 25125 12753 1 19 . 1 1 70 70 LYS N N 70 117.873 117.873 118.455 -0.582 25125 12754 1 19 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.134 -0.174 25125 12755 1 19 . 1 1 70 70 LYS C C 70 178.053 178.053 178.138 -0.085 25125 12756 1 19 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.361 -1.274 25125 12757 1 19 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.881 -0.669 25125 12758 1 19 . 1 1 70 70 LYS H H 70 8.220 8.220 7.621 0.599 25125 12759 1 19 . 1 1 71 71 GLN N N 71 116.315 116.315 116.438 -0.123 25125 12760 1 19 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.163 -0.171 25125 12761 1 19 . 1 1 71 71 GLN C C 71 177.366 177.366 178.137 -0.771 25125 12762 1 19 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.960 0.230 25125 12763 1 19 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.896 -0.231 25125 12764 1 19 . 1 1 71 71 GLN H H 71 7.601 7.601 7.814 -0.213 25125 12765 1 19 . 1 1 72 72 ARG N N 72 116.530 116.530 116.733 -0.203 25125 12766 1 19 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.120 -0.090 25125 12767 1 19 . 1 1 72 72 ARG C C 72 175.826 175.826 175.533 0.293 25125 12768 1 19 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.692 0.530 25125 12769 1 19 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.966 -0.164 25125 12770 1 19 . 1 1 72 72 ARG H H 72 7.301 7.301 8.050 -0.749 25125 12771 1 19 . 1 1 73 73 HIS N N 73 116.755 116.755 115.999 0.756 25125 12772 1 19 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.979 -0.019 25125 12773 1 19 . 1 1 73 73 HIS CA C 73 53.218 53.218 54.006 -0.788 25125 12774 1 19 . 1 1 73 73 HIS CB C 73 30.562 30.562 31.054 -0.492 25125 12775 1 19 . 1 1 73 73 HIS H H 73 8.331 8.331 7.736 0.595 25125 12776 1 19 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.444 0.055 25125 12777 1 19 . 1 1 74 74 PRO C C 74 178.466 178.466 176.773 1.693 25125 12778 1 19 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.546 0.567 25125 12779 1 19 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.276 -0.181 25125 12780 1 19 . 1 1 75 75 MET N N 75 114.814 114.814 112.774 2.040 25125 12781 1 19 . 1 1 75 75 MET HA H 75 4.567 4.567 4.683 -0.116 25125 12782 1 19 . 1 1 75 75 MET C C 75 176.046 176.046 175.511 0.535 25125 12783 1 19 . 1 1 75 75 MET CA C 75 54.266 54.266 55.117 -0.851 25125 12784 1 19 . 1 1 75 75 MET CB C 75 31.288 31.288 33.136 -1.848 25125 12785 1 19 . 1 1 75 75 MET H H 75 8.623 8.623 7.534 1.089 25125 12786 1 19 . 1 1 76 76 LEU N N 76 125.533 125.533 124.440 1.093 25125 12787 1 19 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.713 -0.408 25125 12788 1 19 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.372 1.740 25125 12789 1 19 . 1 1 76 76 LEU CB C 76 43.685 43.685 44.326 -0.641 25125 12790 1 19 . 1 1 76 76 LEU H H 76 7.337 7.337 7.335 0.002 25125 12791 1 19 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.570 -0.124 25125 12792 1 19 . 1 1 77 77 PRO C C 77 174.974 174.974 175.076 -0.102 25125 12793 1 19 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.640 0.187 25125 12794 1 19 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.353 -0.631 25125 12795 1 19 . 1 1 78 78 VAL N N 78 123.779 123.779 120.366 3.413 25125 12796 1 19 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.337 0.687 25125 12797 1 19 . 1 1 78 78 VAL C C 78 175.441 175.441 175.533 -0.092 25125 12798 1 19 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.859 -0.666 25125 12799 1 19 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.680 -1.386 25125 12800 1 19 . 1 1 78 78 VAL H H 78 8.317 8.317 8.349 -0.032 25125 12801 1 19 . 1 1 79 79 ILE N N 79 128.334 128.334 122.900 5.434 25125 12802 1 19 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.729 -0.248 25125 12803 1 19 . 1 1 79 79 ILE C C 79 174.479 174.479 174.840 -0.361 25125 12804 1 19 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.290 -0.768 25125 12805 1 19 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.875 -1.912 25125 12806 1 19 . 1 1 79 79 ILE H H 79 9.292 9.292 7.982 1.310 25125 12807 1 19 . 1 1 80 80 ILE N N 80 127.023 127.023 125.504 1.519 25125 12808 1 19 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.560 0.299 25125 12809 1 19 . 1 1 80 80 ILE C C 80 175.029 175.029 175.349 -0.320 25125 12810 1 19 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.341 -1.184 25125 12811 1 19 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.396 -1.452 25125 12812 1 19 . 1 1 80 80 ILE H H 80 7.938 7.938 8.834 -0.896 25125 12813 1 19 . 1 1 81 81 MET N N 81 127.255 127.255 125.724 1.531 25125 12814 1 19 . 1 1 81 81 MET HA H 81 5.521 5.521 5.708 -0.187 25125 12815 1 19 . 1 1 81 81 MET C C 81 174.534 174.534 175.640 -1.106 25125 12816 1 19 . 1 1 81 81 MET CA C 81 53.513 53.513 55.029 -1.516 25125 12817 1 19 . 1 1 81 81 MET CB C 81 35.483 35.483 35.571 -0.088 25125 12818 1 19 . 1 1 81 81 MET H H 81 8.801 8.801 8.210 0.591 25125 12819 1 19 . 1 1 82 82 THR N N 82 112.857 112.857 117.922 -5.065 25125 12820 1 19 . 1 1 82 82 THR HA H 82 4.914 4.914 4.496 0.418 25125 12821 1 19 . 1 1 82 82 THR C C 82 172.581 172.581 173.316 -0.735 25125 12822 1 19 . 1 1 82 82 THR CA C 82 59.561 59.561 63.358 -3.797 25125 12823 1 19 . 1 1 82 82 THR CB C 82 69.989 69.989 69.770 0.219 25125 12824 1 19 . 1 1 82 82 THR H H 82 7.623 7.623 8.121 -0.498 25125 12825 1 19 . 1 1 83 83 ALA N N 83 129.541 129.541 125.931 3.610 25125 12826 1 19 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.006 0.702 25125 12827 1 19 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.791 -1.254 25125 12828 1 19 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.802 2.345 25125 12829 1 19 . 1 1 83 83 ALA H H 83 9.149 9.149 8.320 0.829 25125 12830 1 19 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.557 -0.285 25125 12831 1 19 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.970 3.730 25125 12832 1 19 . 1 1 84 84 HIS CB C 84 30.018 30.018 31.025 -1.007 25125 12833 1 19 . 1 1 85 85 SER N N 85 112.633 112.633 114.491 -1.858 25125 12834 1 19 . 1 1 85 85 SER HA H 85 4.198 4.198 4.460 -0.262 25125 12835 1 19 . 1 1 85 85 SER C C 85 174.506 174.506 173.082 1.424 25125 12836 1 19 . 1 1 85 85 SER CA C 85 59.823 59.823 58.883 0.940 25125 12837 1 19 . 1 1 85 85 SER CB C 85 62.693 62.693 64.037 -1.345 25125 12838 1 19 . 1 1 85 85 SER H H 85 8.224 8.224 7.229 0.995 25125 12839 1 19 . 1 1 86 86 ASP N N 86 120.886 120.886 120.668 0.218 25125 12840 1 19 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.649 0.287 25125 12841 1 19 . 1 1 86 86 ASP C C 86 175.881 175.881 176.565 -0.684 25125 12842 1 19 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.825 -0.891 25125 12843 1 19 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.486 0.517 25125 12844 1 19 . 1 1 86 86 ASP H H 86 7.608 7.608 8.068 -0.460 25125 12845 1 19 . 1 1 87 87 LEU N N 87 121.913 121.913 121.045 0.868 25125 12846 1 19 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.592 0.327 25125 12847 1 19 . 1 1 87 87 LEU C C 87 177.586 177.586 177.945 -0.359 25125 12848 1 19 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.674 -0.837 25125 12849 1 19 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.438 0.877 25125 12850 1 19 . 1 1 87 87 LEU H H 87 7.498 7.498 8.073 -0.575 25125 12851 1 19 . 1 1 88 88 ASP N N 88 117.621 117.621 117.625 -0.004 25125 12852 1 19 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.207 0.065 25125 12853 1 19 . 1 1 88 88 ASP C C 88 178.246 178.246 177.311 0.935 25125 12854 1 19 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.242 -0.432 25125 12855 1 19 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.292 -0.158 25125 12856 1 19 . 1 1 88 88 ASP H H 88 8.322 8.322 8.492 -0.170 25125 12857 1 19 . 1 1 89 89 ALA N N 89 122.874 122.874 121.053 1.821 25125 12858 1 19 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.346 -0.252 25125 12859 1 19 . 1 1 89 89 ALA C C 89 179.346 179.346 179.443 -0.097 25125 12860 1 19 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.345 -0.192 25125 12861 1 19 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.782 -0.520 25125 12862 1 19 . 1 1 89 89 ALA H H 89 7.838 7.838 7.543 0.295 25125 12863 1 19 . 1 1 90 90 ALA N N 90 121.673 121.673 122.201 -0.528 25125 12864 1 19 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.081 -0.148 25125 12865 1 19 . 1 1 90 90 ALA C C 90 178.686 178.686 179.821 -1.135 25125 12866 1 19 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.043 -0.380 25125 12867 1 19 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.047 0.335 25125 12868 1 19 . 1 1 90 90 ALA H H 90 7.896 7.896 8.347 -0.451 25125 12869 1 19 . 1 1 91 91 VAL N N 91 117.749 117.749 116.940 0.809 25125 12870 1 19 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.934 -0.322 25125 12871 1 19 . 1 1 91 91 VAL C C 91 178.411 178.411 177.238 1.173 25125 12872 1 19 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.595 -1.414 25125 12873 1 19 . 1 1 91 91 VAL CB C 91 31.637 31.637 32.025 -0.388 25125 12874 1 19 . 1 1 91 91 VAL H H 91 8.098 8.098 8.505 -0.407 25125 12875 1 19 . 1 1 92 92 SER N N 92 114.942 114.942 113.427 1.515 25125 12876 1 19 . 1 1 92 92 SER HA H 92 4.231 4.231 4.417 -0.186 25125 12877 1 19 . 1 1 92 92 SER C C 92 175.826 175.826 175.416 0.410 25125 12878 1 19 . 1 1 92 92 SER CA C 92 60.649 60.649 59.915 0.734 25125 12879 1 19 . 1 1 92 92 SER CB C 92 63.063 63.063 64.601 -1.538 25125 12880 1 19 . 1 1 92 92 SER H H 92 7.825 7.825 7.813 0.012 25125 12881 1 19 . 1 1 93 93 ALA N N 93 122.580 122.580 122.863 -0.283 25125 12882 1 19 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.201 -0.144 25125 12883 1 19 . 1 1 93 93 ALA C C 93 178.906 178.906 179.641 -0.735 25125 12884 1 19 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.504 -0.187 25125 12885 1 19 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.699 -0.402 25125 12886 1 19 . 1 1 93 93 ALA H H 93 7.861 7.861 8.387 -0.526 25125 12887 1 19 . 1 1 94 94 TYR N N 94 118.447 118.447 120.732 -2.285 25125 12888 1 19 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.282 0.210 25125 12889 1 19 . 1 1 94 94 TYR C C 94 177.393 177.393 177.474 -0.081 25125 12890 1 19 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.884 -0.633 25125 12891 1 19 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.389 0.045 25125 12892 1 19 . 1 1 94 94 TYR H H 94 8.150 8.150 7.921 0.229 25125 12893 1 19 . 1 1 95 95 GLN N N 95 119.787 119.787 115.770 4.017 25125 12894 1 19 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.017 0.026 25125 12895 1 19 . 1 1 95 95 GLN C C 95 176.981 176.981 176.379 0.602 25125 12896 1 19 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.753 0.713 25125 12897 1 19 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.930 0.159 25125 12898 1 19 . 1 1 95 95 GLN H H 95 8.271 8.271 8.035 0.236 25125 12899 1 19 . 1 1 96 96 GLN N N 96 117.878 117.878 117.860 0.018 25125 12900 1 19 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.227 0.118 25125 12901 1 19 . 1 1 96 96 GLN C C 96 175.854 175.854 176.417 -0.563 25125 12902 1 19 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.424 -0.253 25125 12903 1 19 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.260 0.215 25125 12904 1 19 . 1 1 96 96 GLN H H 96 7.944 7.944 7.794 0.150 25125 12905 1 19 . 1 1 97 97 GLY N N 97 106.670 106.670 105.965 0.705 25125 12906 1 19 . 1 1 97 97 GLY C C 97 174.231 174.231 173.121 1.110 25125 12907 1 19 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.550 0.936 25125 12908 1 19 . 1 1 97 97 GLY H H 97 7.949 7.949 7.918 0.031 25125 12909 1 19 . 1 1 98 98 ALA N N 98 122.898 122.898 120.770 2.128 25125 12910 1 19 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.418 -0.043 25125 12911 1 19 . 1 1 98 98 ALA C C 98 175.991 175.991 175.614 0.377 25125 12912 1 19 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.044 2.123 25125 12913 1 19 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.275 -1.306 25125 12914 1 19 . 1 1 98 98 ALA H H 98 7.808 7.808 7.127 0.681 25125 12915 1 19 . 1 1 99 99 PHE N N 99 123.484 123.484 118.888 4.596 25125 12916 1 19 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.451 -0.101 25125 12917 1 19 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.264 2.192 25125 12918 1 19 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.210 -0.770 25125 12919 1 19 . 1 1 99 99 PHE H H 99 7.704 7.704 8.338 -0.634 25125 12920 1 19 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.893 0.611 25125 12921 1 19 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.554 -2.072 25125 12922 1 19 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.057 4.143 25125 12923 1 19 . 1 1 101 101 TYR N N 101 118.148 118.148 120.550 -2.402 25125 12924 1 19 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.493 0.955 25125 12925 1 19 . 1 1 101 101 TYR C C 101 173.159 173.159 174.592 -1.433 25125 12926 1 19 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.554 -0.567 25125 12927 1 19 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.679 3.219 25125 12928 1 19 . 1 1 101 101 TYR H H 101 9.546 9.546 7.351 2.195 25125 12929 1 19 . 1 1 102 102 LEU N N 102 124.100 124.100 119.854 4.246 25125 12930 1 19 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.146 -0.426 25125 12931 1 19 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.527 -1.028 25125 12932 1 19 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.705 -0.644 25125 12933 1 19 . 1 1 102 102 LEU H H 102 8.901 8.901 8.833 0.068 25125 12934 1 19 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.646 0.247 25125 12935 1 19 . 1 1 103 103 PRO C C 103 175.524 175.524 175.762 -0.238 25125 12936 1 19 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.299 -0.414 25125 12937 1 19 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.249 -0.442 25125 12938 1 19 . 1 1 104 104 LYS N N 104 118.848 118.848 121.663 -2.815 25125 12939 1 19 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.838 -0.325 25125 12940 1 19 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.955 -0.737 25125 12941 1 19 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.968 0.776 25125 12942 1 19 . 1 1 104 104 LYS H H 104 8.279 8.279 8.039 0.240 25125 12943 1 19 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.479 -0.180 25125 12944 1 19 . 1 1 105 105 PRO C C 105 175.001 175.001 175.254 -0.253 25125 12945 1 19 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.730 -0.336 25125 12946 1 19 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.063 2.032 25125 12947 1 19 . 1 1 106 106 PHE N N 106 116.607 116.607 114.987 1.620 25125 12948 1 19 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.866 0.304 25125 12949 1 19 . 1 1 106 106 PHE C C 106 175.221 175.221 174.340 0.881 25125 12950 1 19 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.488 -2.053 25125 12951 1 19 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.747 -0.347 25125 12952 1 19 . 1 1 106 106 PHE H H 106 7.457 7.457 7.429 0.028 25125 12953 1 19 . 1 1 107 107 ASP N N 107 122.214 122.214 122.984 -0.770 25125 12954 1 19 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.954 -0.122 25125 12955 1 19 . 1 1 107 107 ASP C C 107 177.778 177.778 177.439 0.339 25125 12956 1 19 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.954 -0.712 25125 12957 1 19 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.240 1.357 25125 12958 1 19 . 1 1 107 107 ASP H H 107 9.022 9.022 8.601 0.421 25125 12959 1 19 . 1 1 108 108 ILE N N 108 127.706 127.706 125.893 1.813 25125 12960 1 19 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.742 0.223 25125 12961 1 19 . 1 1 108 108 ILE C C 108 176.046 176.046 177.212 -1.166 25125 12962 1 19 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.135 -2.146 25125 12963 1 19 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.137 -0.383 25125 12964 1 19 . 1 1 108 108 ILE H H 108 8.860 8.860 8.671 0.189 25125 12965 1 19 . 1 1 109 109 ASP N N 109 120.058 120.058 118.710 1.348 25125 12966 1 19 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.337 0.051 25125 12967 1 19 . 1 1 109 109 ASP C C 109 179.786 179.786 178.452 1.334 25125 12968 1 19 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.609 -0.115 25125 12969 1 19 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.407 -0.353 25125 12970 1 19 . 1 1 109 109 ASP H H 109 8.079 8.079 8.549 -0.470 25125 12971 1 19 . 1 1 110 110 GLU N N 110 121.559 121.559 119.288 2.271 25125 12972 1 19 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.245 -0.177 25125 12973 1 19 . 1 1 110 110 GLU C C 110 179.043 179.043 178.386 0.657 25125 12974 1 19 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.194 0.632 25125 12975 1 19 . 1 1 110 110 GLU CB C 110 29.343 29.343 30.020 -0.677 25125 12976 1 19 . 1 1 110 110 GLU H H 110 8.012 8.012 7.941 0.071 25125 12977 1 19 . 1 1 111 111 ALA N N 111 122.267 122.267 123.061 -0.794 25125 12978 1 19 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.082 -0.328 25125 12979 1 19 . 1 1 111 111 ALA C C 111 178.493 178.493 179.410 -0.917 25125 12980 1 19 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.066 0.106 25125 12981 1 19 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.411 -0.029 25125 12982 1 19 . 1 1 111 111 ALA H H 111 7.897 7.897 8.387 -0.490 25125 12983 1 19 . 1 1 112 112 VAL N N 112 116.527 116.527 118.130 -1.603 25125 12984 1 19 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.584 -0.417 25125 12985 1 19 . 1 1 112 112 VAL C C 112 177.201 177.201 177.631 -0.430 25125 12986 1 19 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.215 0.930 25125 12987 1 19 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.565 -0.013 25125 12988 1 19 . 1 1 112 112 VAL H H 112 8.018 8.018 8.494 -0.476 25125 12989 1 19 . 1 1 113 113 ALA N N 113 119.895 119.895 120.237 -0.342 25125 12990 1 19 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.274 -0.136 25125 12991 1 19 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.163 0.669 25125 12992 1 19 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.558 -0.687 25125 12993 1 19 . 1 1 113 113 ALA H H 113 7.673 7.673 7.725 -0.052 25125 12994 1 19 . 1 1 114 114 LEU N N 114 120.650 120.650 119.242 1.408 25125 12995 1 19 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.302 -0.219 25125 12996 1 19 . 1 1 114 114 LEU C C 114 178.466 178.466 178.234 0.232 25125 12997 1 19 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.550 0.470 25125 12998 1 19 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.212 -0.379 25125 12999 1 19 . 1 1 114 114 LEU H H 114 7.840 7.840 7.493 0.347 25125 13000 1 19 . 1 1 115 115 VAL N N 115 119.480 119.480 119.285 0.195 25125 13001 1 19 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.436 -0.224 25125 13002 1 19 . 1 1 115 115 VAL C C 115 177.448 177.448 176.855 0.593 25125 13003 1 19 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.893 1.308 25125 13004 1 19 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.881 -1.209 25125 13005 1 19 . 1 1 115 115 VAL H H 115 7.824 7.824 7.970 -0.146 25125 13006 1 19 . 1 1 116 116 GLU N N 116 117.473 117.473 118.513 -1.040 25125 13007 1 19 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.999 -0.210 25125 13008 1 19 . 1 1 116 116 GLU C C 116 179.566 179.566 178.054 1.512 25125 13009 1 19 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.050 0.880 25125 13010 1 19 . 1 1 116 116 GLU CB C 116 29.096 29.096 28.740 0.356 25125 13011 1 19 . 1 1 116 116 GLU H H 116 8.465 8.465 7.906 0.559 25125 13012 1 19 . 1 1 117 117 ARG N N 117 120.128 120.128 119.675 0.453 25125 13013 1 19 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.121 -0.057 25125 13014 1 19 . 1 1 117 117 ARG C C 117 178.438 178.438 177.715 0.723 25125 13015 1 19 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.748 0.529 25125 13016 1 19 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.975 0.302 25125 13017 1 19 . 1 1 117 117 ARG H H 117 8.012 8.012 7.461 0.551 25125 13018 1 19 . 1 1 118 118 ALA N N 118 122.270 122.270 120.762 1.508 25125 13019 1 19 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.951 -0.495 25125 13020 1 19 . 1 1 118 118 ALA C C 118 178.741 178.741 178.469 0.272 25125 13021 1 19 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.938 0.640 25125 13022 1 19 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.429 -0.271 25125 13023 1 19 . 1 1 118 118 ALA H H 118 7.958 7.958 7.165 0.793 25125 13024 1 19 . 1 1 119 119 ILE N N 119 115.269 115.269 117.577 -2.308 25125 13025 1 19 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.948 -0.220 25125 13026 1 19 . 1 1 119 119 ILE C C 119 177.366 177.366 177.993 -0.627 25125 13027 1 19 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.500 -0.831 25125 13028 1 19 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.623 -0.826 25125 13029 1 19 . 1 1 119 119 ILE H H 119 7.753 7.753 7.285 0.468 25125 13030 1 19 . 1 1 120 120 SER N N 120 115.135 115.135 115.179 -0.044 25125 13031 1 19 . 1 1 120 120 SER HA H 120 4.275 4.275 4.204 0.071 25125 13032 1 19 . 1 1 120 120 SER C C 120 175.084 175.084 175.541 -0.457 25125 13033 1 19 . 1 1 120 120 SER CA C 120 59.816 59.816 61.486 -1.670 25125 13034 1 19 . 1 1 120 120 SER CB C 120 63.380 63.380 62.884 0.496 25125 13035 1 19 . 1 1 120 120 SER H H 120 7.816 7.816 8.183 -0.367 25125 13036 1 19 . 1 1 121 121 HIS N N 121 119.908 119.908 118.522 1.386 25125 13037 1 19 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.148 0.274 25125 13038 1 19 . 1 1 121 121 HIS C C 121 175.029 175.029 175.719 -0.690 25125 13039 1 19 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.513 -1.277 25125 13040 1 19 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.837 -0.409 25125 13041 1 19 . 1 1 121 121 HIS H H 121 7.910 7.910 7.613 0.297 25125 13042 1 19 . 1 1 122 122 TYR N N 122 118.880 118.880 116.851 2.029 25125 13043 1 19 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.545 -0.119 25125 13044 1 19 . 1 1 122 122 TYR C C 122 175.276 175.276 177.617 -2.341 25125 13045 1 19 . 1 1 122 122 TYR CA C 122 58.449 58.449 58.856 -0.407 25125 13046 1 19 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.559 0.044 25125 13047 1 19 . 1 1 122 122 TYR H H 122 7.766 7.766 7.797 -0.031 25125 13048 1 19 . 1 1 123 123 GLN N N 123 121.479 121.479 119.201 2.278 25125 13049 1 19 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.168 0.102 25125 13050 1 19 . 1 1 123 123 GLN C C 123 174.534 174.534 176.176 -1.642 25125 13051 1 19 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.385 -1.873 25125 13052 1 19 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.453 0.315 25125 13053 1 19 . 1 1 123 123 GLN H H 123 7.878 7.878 8.021 -0.143 25125 13054 1 20 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.041 0.392 25125 13055 1 20 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.481 -0.917 25125 13056 1 20 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.834 2.766 25125 13057 1 20 . 1 1 3 3 ARG N N 3 121.252 121.252 116.908 4.344 25125 13058 1 20 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.170 0.195 25125 13059 1 20 . 1 1 3 3 ARG C C 3 175.634 175.634 175.664 -0.030 25125 13060 1 20 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.964 -0.973 25125 13061 1 20 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.230 1.067 25125 13062 1 20 . 1 1 3 3 ARG H H 3 8.429 8.429 8.037 0.392 25125 13063 1 20 . 1 1 4 4 GLY N N 4 107.663 107.663 108.404 -0.741 25125 13064 1 20 . 1 1 4 4 GLY C C 4 171.041 171.041 173.122 -2.081 25125 13065 1 20 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.354 0.962 25125 13066 1 20 . 1 1 4 4 GLY H H 4 7.963 7.963 7.697 0.266 25125 13067 1 20 . 1 1 5 5 ILE N N 5 122.603 122.603 125.319 -2.716 25125 13068 1 20 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.009 0.690 25125 13069 1 20 . 1 1 5 5 ILE C C 5 175.359 175.359 175.006 0.353 25125 13070 1 20 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.705 -1.095 25125 13071 1 20 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.469 0.107 25125 13072 1 20 . 1 1 5 5 ILE H H 5 9.610 9.610 8.338 1.272 25125 13073 1 20 . 1 1 6 6 VAL N N 6 127.905 127.905 125.639 2.266 25125 13074 1 20 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.766 0.046 25125 13075 1 20 . 1 1 6 6 VAL C C 6 174.204 174.204 175.250 -1.046 25125 13076 1 20 . 1 1 6 6 VAL CA C 6 59.559 59.559 61.199 -1.640 25125 13077 1 20 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.928 0.598 25125 13078 1 20 . 1 1 6 6 VAL H H 6 9.090 9.090 7.968 1.122 25125 13079 1 20 . 1 1 7 7 TRP N N 7 127.467 127.467 128.807 -1.340 25125 13080 1 20 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.148 1.306 25125 13081 1 20 . 1 1 7 7 TRP C C 7 175.056 175.056 175.450 -0.394 25125 13082 1 20 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.495 -1.617 25125 13083 1 20 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.557 2.577 25125 13084 1 20 . 1 1 7 7 TRP H H 7 8.497 8.497 8.216 0.281 25125 13085 1 20 . 1 1 8 8 VAL N N 8 122.068 122.068 122.461 -0.393 25125 13086 1 20 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.481 0.605 25125 13087 1 20 . 1 1 8 8 VAL C C 8 173.874 173.874 174.780 -0.906 25125 13088 1 20 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.403 -0.917 25125 13089 1 20 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.054 1.661 25125 13090 1 20 . 1 1 8 8 VAL H H 8 8.583 8.583 8.863 -0.280 25125 13091 1 20 . 1 1 9 9 VAL N N 9 127.733 127.733 124.416 3.317 25125 13092 1 20 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.418 0.543 25125 13093 1 20 . 1 1 9 9 VAL C C 9 173.131 173.131 173.361 -0.230 25125 13094 1 20 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.711 -1.036 25125 13095 1 20 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.321 -2.410 25125 13096 1 20 . 1 1 9 9 VAL H H 9 9.107 9.107 7.889 1.218 25125 13097 1 20 . 1 1 10 10 ASP N N 10 124.306 124.306 124.574 -0.268 25125 13098 1 20 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.785 -0.216 25125 13099 1 20 . 1 1 10 10 ASP C C 10 175.029 175.029 174.926 0.103 25125 13100 1 20 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.982 -1.235 25125 13101 1 20 . 1 1 10 10 ASP CB C 10 44.109 44.109 41.784 2.325 25125 13102 1 20 . 1 1 10 10 ASP H H 10 7.775 7.775 8.283 -0.508 25125 13103 1 20 . 1 1 11 11 ASP N N 11 126.714 126.714 116.496 10.218 25125 13104 1 20 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.799 -0.264 25125 13105 1 20 . 1 1 11 11 ASP C C 11 175.689 175.689 174.543 1.146 25125 13106 1 20 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.273 1.445 25125 13107 1 20 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.476 -0.402 25125 13108 1 20 . 1 1 11 11 ASP H H 11 9.033 9.033 8.230 0.803 25125 13109 1 20 . 1 1 12 12 ASP N N 12 121.877 121.877 120.560 1.317 25125 13110 1 20 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.988 -0.342 25125 13111 1 20 . 1 1 12 12 ASP C C 12 177.036 177.036 177.060 -0.024 25125 13112 1 20 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.927 -0.624 25125 13113 1 20 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.945 -1.781 25125 13114 1 20 . 1 1 12 12 ASP H H 12 9.570 9.570 8.197 1.373 25125 13115 1 20 . 1 1 13 13 SER N N 13 123.799 123.799 117.816 5.983 25125 13116 1 20 . 1 1 13 13 SER HA H 13 3.761 3.761 4.317 -0.556 25125 13117 1 20 . 1 1 13 13 SER C C 13 176.156 176.156 176.179 -0.023 25125 13118 1 20 . 1 1 13 13 SER CA C 13 61.186 61.186 61.417 -0.231 25125 13119 1 20 . 1 1 13 13 SER CB C 13 62.749 62.749 63.224 -0.475 25125 13120 1 20 . 1 1 13 13 SER H H 13 8.850 8.850 8.735 0.115 25125 13121 1 20 . 1 1 14 14 SER N N 14 119.123 119.123 118.987 0.136 25125 13122 1 20 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125 13123 1 20 . 1 1 14 14 SER C C 14 176.404 176.404 176.718 -0.314 25125 13124 1 20 . 1 1 14 14 SER CA C 14 61.730 61.730 61.440 0.290 25125 13125 1 20 . 1 1 14 14 SER CB C 14 62.548 62.548 62.331 0.217 25125 13126 1 20 . 1 1 14 14 SER H H 14 8.531 8.531 8.711 -0.180 25125 13127 1 20 . 1 1 15 15 ILE N N 15 123.637 123.637 121.324 2.313 25125 13128 1 20 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.983 -0.038 25125 13129 1 20 . 1 1 15 15 ILE C C 15 177.861 177.861 177.774 0.087 25125 13130 1 20 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.936 -1.736 25125 13131 1 20 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.075 -1.189 25125 13132 1 20 . 1 1 15 15 ILE H H 15 7.206 7.206 8.268 -1.062 25125 13133 1 20 . 1 1 16 16 ARG N N 16 116.694 116.694 119.333 -2.639 25125 13134 1 20 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.243 -0.520 25125 13135 1 20 . 1 1 16 16 ARG C C 16 177.448 177.448 178.341 -0.893 25125 13136 1 20 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.862 2.711 25125 13137 1 20 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.697 0.750 25125 13138 1 20 . 1 1 16 16 ARG H H 16 7.562 7.562 7.449 0.113 25125 13139 1 20 . 1 1 17 17 TRP N N 17 116.848 116.848 123.642 -6.794 25125 13140 1 20 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.449 0.022 25125 13141 1 20 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.221 -0.781 25125 13142 1 20 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.660 -0.368 25125 13143 1 20 . 1 1 17 17 TRP H H 17 8.005 8.005 8.760 -0.755 25125 13144 1 20 . 1 1 18 18 VAL N N 18 116.964 116.964 116.651 0.313 25125 13145 1 20 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.766 0.909 25125 13146 1 20 . 1 1 18 18 VAL C C 18 179.181 179.181 177.761 1.420 25125 13147 1 20 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.881 -0.173 25125 13148 1 20 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.019 0.618 25125 13149 1 20 . 1 1 18 18 VAL H H 18 8.110 8.110 7.713 0.397 25125 13150 1 20 . 1 1 19 19 LEU N N 19 120.186 120.186 118.898 1.288 25125 13151 1 20 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.074 0.001 25125 13152 1 20 . 1 1 19 19 LEU C C 19 177.778 177.778 179.047 -1.269 25125 13153 1 20 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.321 0.501 25125 13154 1 20 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.572 0.209 25125 13155 1 20 . 1 1 19 19 LEU H H 19 8.073 8.073 7.434 0.639 25125 13156 1 20 . 1 1 20 20 GLU N N 20 120.193 120.193 120.511 -0.318 25125 13157 1 20 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.884 0.057 25125 13158 1 20 . 1 1 20 20 GLU C C 20 178.603 178.603 178.793 -0.190 25125 13159 1 20 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.906 0.704 25125 13160 1 20 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.780 -0.692 25125 13161 1 20 . 1 1 20 20 GLU H H 20 8.387 8.387 8.255 0.132 25125 13162 1 20 . 1 1 21 21 ARG N N 21 116.076 116.076 117.399 -1.323 25125 13163 1 20 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.951 -0.058 25125 13164 1 20 . 1 1 21 21 ARG C C 21 179.676 179.676 178.240 1.436 25125 13165 1 20 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.911 -0.462 25125 13166 1 20 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.271 0.582 25125 13167 1 20 . 1 1 21 21 ARG H H 21 7.602 7.602 8.271 -0.669 25125 13168 1 20 . 1 1 22 22 ALA N N 22 122.405 122.405 122.101 0.304 25125 13169 1 20 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.110 -0.013 25125 13170 1 20 . 1 1 22 22 ALA C C 22 180.501 180.501 178.851 1.650 25125 13171 1 20 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.243 0.335 25125 13172 1 20 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.256 0.976 25125 13173 1 20 . 1 1 22 22 ALA H H 22 7.992 7.992 7.491 0.501 25125 13174 1 20 . 1 1 23 23 LEU N N 23 118.026 118.026 118.751 -0.725 25125 13175 1 20 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.182 -0.181 25125 13176 1 20 . 1 1 23 23 LEU C C 23 178.878 178.878 179.089 -0.211 25125 13177 1 20 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.796 0.925 25125 13178 1 20 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.182 -2.527 25125 13179 1 20 . 1 1 23 23 LEU H H 23 8.825 8.825 7.484 1.341 25125 13180 1 20 . 1 1 24 24 ALA N N 24 122.159 122.159 122.386 -0.227 25125 13181 1 20 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.987 0.646 25125 13182 1 20 . 1 1 24 24 ALA C C 24 183.141 183.141 179.465 3.676 25125 13183 1 20 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.907 -0.161 25125 13184 1 20 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.399 -0.697 25125 13185 1 20 . 1 1 24 24 ALA H H 24 8.125 8.125 8.059 0.066 25125 13186 1 20 . 1 1 25 25 GLY N N 25 106.891 106.891 103.804 3.087 25125 13187 1 20 . 1 1 25 25 GLY C C 25 174.286 174.286 174.567 -0.281 25125 13188 1 20 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.156 1.266 25125 13189 1 20 . 1 1 25 25 GLY H H 25 7.870 7.870 7.764 0.106 25125 13190 1 20 . 1 1 26 26 ALA N N 26 121.819 121.819 123.523 -1.704 25125 13191 1 20 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.631 -0.132 25125 13192 1 20 . 1 1 26 26 ALA C C 26 176.953 176.953 177.943 -0.990 25125 13193 1 20 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.582 -0.063 25125 13194 1 20 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.769 -1.047 25125 13195 1 20 . 1 1 26 26 ALA H H 26 7.285 7.285 7.407 -0.122 25125 13196 1 20 . 1 1 27 27 GLY N N 27 106.197 106.197 107.283 -1.086 25125 13197 1 20 . 1 1 27 27 GLY C C 27 173.956 173.956 173.156 0.800 25125 13198 1 20 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.280 0.036 25125 13199 1 20 . 1 1 27 27 GLY H H 27 7.824 7.824 7.939 -0.115 25125 13200 1 20 . 1 1 28 28 LEU N N 28 120.291 120.291 117.627 2.664 25125 13201 1 20 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.747 -0.172 25125 13202 1 20 . 1 1 28 28 LEU C C 28 175.881 175.881 176.413 -0.532 25125 13203 1 20 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.855 0.788 25125 13204 1 20 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.524 -2.039 25125 13205 1 20 . 1 1 28 28 LEU H H 28 7.678 7.678 7.653 0.025 25125 13206 1 20 . 1 1 29 29 THR N N 29 118.040 118.040 116.491 1.549 25125 13207 1 20 . 1 1 29 29 THR HA H 29 4.335 4.335 4.185 0.150 25125 13208 1 20 . 1 1 29 29 THR C C 29 173.186 173.186 173.827 -0.641 25125 13209 1 20 . 1 1 29 29 THR CA C 29 62.479 62.479 64.336 -1.857 25125 13210 1 20 . 1 1 29 29 THR CB C 29 69.465 69.465 69.553 -0.088 25125 13211 1 20 . 1 1 29 29 THR H H 29 8.527 8.527 8.463 0.064 25125 13212 1 20 . 1 1 30 30 CYS N N 30 128.387 128.387 121.364 7.023 25125 13213 1 20 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.521 0.422 25125 13214 1 20 . 1 1 30 30 CYS C C 30 173.846 173.846 173.803 0.043 25125 13215 1 20 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.849 -0.487 25125 13216 1 20 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.935 -1.455 25125 13217 1 20 . 1 1 30 30 CYS H H 30 8.968 8.968 8.298 0.670 25125 13218 1 20 . 1 1 31 31 THR N N 31 126.481 126.481 123.110 3.371 25125 13219 1 20 . 1 1 31 31 THR HA H 31 4.433 4.433 4.538 -0.105 25125 13220 1 20 . 1 1 31 31 THR C C 31 172.609 172.609 173.706 -1.097 25125 13221 1 20 . 1 1 31 31 THR CA C 31 61.951 61.951 62.145 -0.195 25125 13222 1 20 . 1 1 31 31 THR CB C 31 70.567 70.567 70.686 -0.119 25125 13223 1 20 . 1 1 31 31 THR H H 31 8.614 8.614 8.462 0.152 25125 13224 1 20 . 1 1 32 32 THR N N 32 116.418 116.418 118.099 -1.681 25125 13225 1 20 . 1 1 32 32 THR HA H 32 5.330 5.330 5.250 0.080 25125 13226 1 20 . 1 1 32 32 THR C C 32 172.306 172.306 173.232 -0.926 25125 13227 1 20 . 1 1 32 32 THR CA C 32 59.173 59.173 60.113 -0.940 25125 13228 1 20 . 1 1 32 32 THR CB C 32 70.917 70.917 70.611 0.306 25125 13229 1 20 . 1 1 32 32 THR H H 32 8.299 8.299 8.152 0.147 25125 13230 1 20 . 1 1 33 33 PHE N N 33 118.067 118.067 124.728 -6.661 25125 13231 1 20 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.496 0.147 25125 13232 1 20 . 1 1 33 33 PHE C C 33 174.341 174.341 176.104 -1.763 25125 13233 1 20 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.932 -2.400 25125 13234 1 20 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.334 2.975 25125 13235 1 20 . 1 1 33 33 PHE H H 33 8.890 8.890 8.192 0.698 25125 13236 1 20 . 1 1 34 34 GLU N N 34 118.499 118.499 111.965 6.534 25125 13237 1 20 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.299 0.055 25125 13238 1 20 . 1 1 34 34 GLU C C 34 175.414 175.414 174.885 0.529 25125 13239 1 20 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.819 -0.127 25125 13240 1 20 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.091 1.376 25125 13241 1 20 . 1 1 34 34 GLU H H 34 9.023 9.023 8.611 0.412 25125 13242 1 20 . 1 1 35 35 ASN N N 35 109.907 109.907 118.159 -8.252 25125 13243 1 20 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.070 -0.289 25125 13244 1 20 . 1 1 35 35 ASN C C 35 175.139 175.139 175.737 -0.598 25125 13245 1 20 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.331 -0.185 25125 13246 1 20 . 1 1 35 35 ASN CB C 35 41.323 41.323 41.212 0.111 25125 13247 1 20 . 1 1 35 35 ASN H H 35 7.401 7.401 7.948 -0.547 25125 13248 1 20 . 1 1 36 36 GLY N N 36 106.739 106.739 108.053 -1.314 25125 13249 1 20 . 1 1 36 36 GLY C C 36 174.616 174.616 175.700 -1.084 25125 13250 1 20 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.397 0.619 25125 13251 1 20 . 1 1 36 36 GLY H H 36 8.877 8.877 8.981 -0.104 25125 13252 1 20 . 1 1 37 37 ASN N N 37 120.462 120.462 117.819 2.643 25125 13253 1 20 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.411 -0.049 25125 13254 1 20 . 1 1 37 37 ASN C C 37 178.686 178.686 176.208 2.478 25125 13255 1 20 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.237 1.295 25125 13256 1 20 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.883 -0.298 25125 13257 1 20 . 1 1 37 37 ASN H H 37 8.366 8.366 8.710 -0.344 25125 13258 1 20 . 1 1 38 38 GLU N N 38 119.360 119.360 116.309 3.051 25125 13259 1 20 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.169 -0.099 25125 13260 1 20 . 1 1 38 38 GLU C C 38 179.263 179.263 177.498 1.765 25125 13261 1 20 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.466 1.166 25125 13262 1 20 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.999 1.533 25125 13263 1 20 . 1 1 38 38 GLU H H 38 7.990 7.990 7.629 0.361 25125 13264 1 20 . 1 1 39 39 VAL N N 39 119.259 119.259 119.444 -0.185 25125 13265 1 20 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.115 -0.347 25125 13266 1 20 . 1 1 39 39 VAL C C 39 176.431 176.431 177.254 -0.823 25125 13267 1 20 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.405 -0.462 25125 13268 1 20 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.728 -0.653 25125 13269 1 20 . 1 1 39 39 VAL H H 39 6.883 6.883 7.818 -0.935 25125 13270 1 20 . 1 1 40 40 LEU N N 40 119.627 119.627 120.875 -1.248 25125 13271 1 20 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.901 0.026 25125 13272 1 20 . 1 1 40 40 LEU C C 40 179.538 179.538 178.852 0.686 25125 13273 1 20 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.985 -1.045 25125 13274 1 20 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.392 -0.324 25125 13275 1 20 . 1 1 40 40 LEU H H 40 7.692 7.692 7.472 0.220 25125 13276 1 20 . 1 1 41 41 ALA N N 41 120.051 120.051 119.686 0.365 25125 13277 1 20 . 1 1 41 41 ALA HA H 41 4.140 4.140 3.990 0.150 25125 13278 1 20 . 1 1 41 41 ALA C C 41 180.528 180.528 178.845 1.683 25125 13279 1 20 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.689 -0.039 25125 13280 1 20 . 1 1 41 41 ALA CB C 41 17.866 17.866 18.032 -0.166 25125 13281 1 20 . 1 1 41 41 ALA H H 41 7.553 7.553 7.749 -0.196 25125 13282 1 20 . 1 1 42 42 ALA N N 42 122.731 122.731 120.095 2.636 25125 13283 1 20 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.120 0.079 25125 13284 1 20 . 1 1 42 42 ALA C C 42 180.198 180.198 180.073 0.125 25125 13285 1 20 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.297 0.735 25125 13286 1 20 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.995 1.404 25125 13287 1 20 . 1 1 42 42 ALA H H 42 7.604 7.604 7.599 0.005 25125 13288 1 20 . 1 1 43 43 LEU N N 43 119.131 119.131 119.810 -0.679 25125 13289 1 20 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.134 1.072 25125 13290 1 20 . 1 1 43 43 LEU C C 43 177.421 177.421 178.672 -1.251 25125 13291 1 20 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.460 -1.915 25125 13292 1 20 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.608 0.996 25125 13293 1 20 . 1 1 43 43 LEU H H 43 8.288 8.288 7.815 0.473 25125 13294 1 20 . 1 1 44 44 ALA N N 44 119.065 119.065 117.639 1.426 25125 13295 1 20 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.060 0.169 25125 13296 1 20 . 1 1 44 44 ALA C C 44 178.686 178.686 178.975 -0.289 25125 13297 1 20 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.299 -0.061 25125 13298 1 20 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.452 0.064 25125 13299 1 20 . 1 1 44 44 ALA H H 44 7.302 7.302 7.729 -0.426 25125 13300 1 20 . 1 1 45 45 SER N N 45 108.656 108.656 114.104 -5.448 25125 13301 1 20 . 1 1 45 45 SER HA H 45 4.742 4.742 4.454 0.288 25125 13302 1 20 . 1 1 45 45 SER C C 45 173.296 173.296 174.216 -0.920 25125 13303 1 20 . 1 1 45 45 SER CA C 45 58.656 58.656 60.176 -1.520 25125 13304 1 20 . 1 1 45 45 SER CB C 45 65.407 65.407 64.047 1.360 25125 13305 1 20 . 1 1 45 45 SER H H 45 7.728 7.728 8.260 -0.532 25125 13306 1 20 . 1 1 46 46 LYS N N 46 123.016 123.016 118.883 4.133 25125 13307 1 20 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.448 0.138 25125 13308 1 20 . 1 1 46 46 LYS C C 46 172.719 172.719 175.346 -2.627 25125 13309 1 20 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.035 -0.523 25125 13310 1 20 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.213 3.012 25125 13311 1 20 . 1 1 46 46 LYS H H 46 8.101 8.101 7.471 0.630 25125 13312 1 20 . 1 1 47 47 THR N N 47 111.780 111.780 119.746 -7.966 25125 13313 1 20 . 1 1 47 47 THR HA H 47 4.282 4.282 4.128 0.154 25125 13314 1 20 . 1 1 47 47 THR CA C 47 57.806 57.806 61.557 -3.751 25125 13315 1 20 . 1 1 47 47 THR CB C 47 70.594 70.594 67.983 2.611 25125 13316 1 20 . 1 1 47 47 THR H H 47 7.677 7.677 8.278 -0.601 25125 13317 1 20 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.931 -0.026 25125 13318 1 20 . 1 1 48 48 PRO C C 48 172.966 172.966 175.504 -2.538 25125 13319 1 20 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.776 -0.910 25125 13320 1 20 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.854 -1.577 25125 13321 1 20 . 1 1 49 49 ASP N N 49 115.035 115.035 118.149 -3.114 25125 13322 1 20 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.609 -0.165 25125 13323 1 20 . 1 1 49 49 ASP C C 49 175.634 175.634 175.415 0.219 25125 13324 1 20 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.222 1.225 25125 13325 1 20 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.397 -0.885 25125 13326 1 20 . 1 1 49 49 ASP H H 49 8.502 8.502 8.186 0.316 25125 13327 1 20 . 1 1 50 50 VAL N N 50 112.082 112.082 116.593 -4.511 25125 13328 1 20 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.485 -0.205 25125 13329 1 20 . 1 1 50 50 VAL C C 50 171.454 171.454 173.117 -1.663 25125 13330 1 20 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.435 -0.873 25125 13331 1 20 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.510 1.126 25125 13332 1 20 . 1 1 50 50 VAL H H 50 7.173 7.173 7.209 -0.036 25125 13333 1 20 . 1 1 51 51 LEU N N 51 128.247 128.247 128.259 -0.012 25125 13334 1 20 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.164 0.155 25125 13335 1 20 . 1 1 51 51 LEU C C 51 173.104 173.104 175.250 -2.146 25125 13336 1 20 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.711 -0.493 25125 13337 1 20 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.171 1.335 25125 13338 1 20 . 1 1 51 51 LEU H H 51 8.059 8.059 7.976 0.083 25125 13339 1 20 . 1 1 52 52 LEU N N 52 128.407 128.407 122.573 5.834 25125 13340 1 20 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.020 0.481 25125 13341 1 20 . 1 1 52 52 LEU C C 52 175.414 175.414 175.588 -0.174 25125 13342 1 20 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.270 0.053 25125 13343 1 20 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.938 1.583 25125 13344 1 20 . 1 1 52 52 LEU H H 52 9.242 9.242 8.562 0.680 25125 13345 1 20 . 1 1 53 53 SER N N 53 114.946 114.946 117.578 -2.632 25125 13346 1 20 . 1 1 53 53 SER HA H 53 5.595 5.595 5.266 0.329 25125 13347 1 20 . 1 1 53 53 SER C C 53 174.644 174.644 173.630 1.014 25125 13348 1 20 . 1 1 53 53 SER CA C 53 55.954 55.954 57.215 -1.261 25125 13349 1 20 . 1 1 53 53 SER CB C 53 66.473 66.473 65.295 1.178 25125 13350 1 20 . 1 1 53 53 SER H H 53 8.695 8.695 8.021 0.674 25125 13351 1 20 . 1 1 54 54 ASP N N 54 128.341 128.341 121.868 6.473 25125 13352 1 20 . 1 1 54 54 ASP HA H 54 5.325 5.325 5.131 0.194 25125 13353 1 20 . 1 1 54 54 ASP C C 54 176.816 176.816 175.735 1.081 25125 13354 1 20 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.251 1.242 25125 13355 1 20 . 1 1 54 54 ASP CB C 54 42.328 42.328 43.939 -1.611 25125 13356 1 20 . 1 1 54 54 ASP H H 54 7.886 7.886 8.015 -0.129 25125 13357 1 20 . 1 1 55 55 ILE N N 55 121.229 121.229 124.855 -3.626 25125 13358 1 20 . 1 1 55 55 ILE HA H 55 4.185 4.185 4.175 0.010 25125 13359 1 20 . 1 1 55 55 ILE C C 55 175.084 175.084 174.655 0.429 25125 13360 1 20 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.771 -0.229 25125 13361 1 20 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.174 1.855 25125 13362 1 20 . 1 1 55 55 ILE H H 55 8.722 8.722 8.800 -0.078 25125 13363 1 20 . 1 1 56 56 ARG N N 56 124.188 124.188 123.545 0.643 25125 13364 1 20 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.555 -0.050 25125 13365 1 20 . 1 1 56 56 ARG C C 56 175.661 175.661 174.447 1.214 25125 13366 1 20 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.839 -0.398 25125 13367 1 20 . 1 1 56 56 ARG CB C 56 30.362 30.362 29.633 0.729 25125 13368 1 20 . 1 1 56 56 ARG H H 56 8.499 8.499 8.157 0.342 25125 13369 1 20 . 1 1 57 57 MET N N 57 122.581 122.581 115.976 6.605 25125 13370 1 20 . 1 1 57 57 MET HA H 57 4.821 4.821 4.990 -0.169 25125 13371 1 20 . 1 1 57 57 MET CA C 57 53.132 53.132 53.519 -0.387 25125 13372 1 20 . 1 1 57 57 MET CB C 57 33.445 33.445 34.331 -0.886 25125 13373 1 20 . 1 1 57 57 MET H H 57 7.956 7.956 7.879 0.077 25125 13374 1 20 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.402 -0.009 25125 13375 1 20 . 1 1 58 58 PRO C C 58 177.806 177.806 177.426 0.380 25125 13376 1 20 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.371 -0.872 25125 13377 1 20 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.643 0.164 25125 13378 1 20 . 1 1 59 59 GLY N N 59 111.082 111.082 107.735 3.347 25125 13379 1 20 . 1 1 59 59 GLY C C 59 173.626 173.626 175.173 -1.547 25125 13380 1 20 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.592 -0.002 25125 13381 1 20 . 1 1 59 59 GLY H H 59 8.653 8.653 8.078 0.575 25125 13382 1 20 . 1 1 60 60 MET N N 60 120.052 120.052 120.267 -0.215 25125 13383 1 20 . 1 1 60 60 MET HA H 60 4.525 4.525 4.577 -0.052 25125 13384 1 20 . 1 1 60 60 MET C C 60 173.956 173.956 176.140 -2.184 25125 13385 1 20 . 1 1 60 60 MET CA C 60 55.047 55.047 54.882 0.165 25125 13386 1 20 . 1 1 60 60 MET CB C 60 34.506 34.506 31.645 2.861 25125 13387 1 20 . 1 1 60 60 MET H H 60 7.968 7.968 8.386 -0.418 25125 13388 1 20 . 1 1 61 61 ASP N N 61 121.306 121.306 120.348 0.958 25125 13389 1 20 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.376 0.328 25125 13390 1 20 . 1 1 61 61 ASP C C 61 176.761 176.761 176.749 0.012 25125 13391 1 20 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.445 -3.716 25125 13392 1 20 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.017 1.052 25125 13393 1 20 . 1 1 61 61 ASP H H 61 8.379 8.379 8.159 0.220 25125 13394 1 20 . 1 1 62 62 GLY N N 62 110.874 110.874 105.920 4.954 25125 13395 1 20 . 1 1 62 62 GLY C C 62 175.194 175.194 174.682 0.512 25125 13396 1 20 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.685 1.416 25125 13397 1 20 . 1 1 62 62 GLY H H 62 8.707 8.707 8.355 0.352 25125 13398 1 20 . 1 1 63 63 LEU N N 63 121.299 121.299 121.531 -0.232 25125 13399 1 20 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.539 -0.362 25125 13400 1 20 . 1 1 63 63 LEU C C 63 178.356 178.356 178.001 0.355 25125 13401 1 20 . 1 1 63 63 LEU CA C 63 56.878 56.878 54.922 1.956 25125 13402 1 20 . 1 1 63 63 LEU CB C 63 41.238 41.238 39.941 1.297 25125 13403 1 20 . 1 1 63 63 LEU H H 63 8.045 8.045 7.875 0.170 25125 13404 1 20 . 1 1 64 64 ALA N N 64 122.741 122.741 124.053 -1.312 25125 13405 1 20 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.905 0.157 25125 13406 1 20 . 1 1 64 64 ALA C C 64 180.556 180.556 179.343 1.213 25125 13407 1 20 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.756 -1.141 25125 13408 1 20 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.050 -0.050 25125 13409 1 20 . 1 1 64 64 ALA H H 64 7.859 7.859 7.699 0.160 25125 13410 1 20 . 1 1 65 65 LEU N N 65 120.287 120.287 115.485 4.802 25125 13411 1 20 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.156 -0.094 25125 13412 1 20 . 1 1 65 65 LEU C C 65 178.191 178.191 178.500 -0.309 25125 13413 1 20 . 1 1 65 65 LEU CA C 65 58.019 58.019 57.068 0.951 25125 13414 1 20 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.625 -0.387 25125 13415 1 20 . 1 1 65 65 LEU H H 65 8.022 8.022 7.779 0.243 25125 13416 1 20 . 1 1 66 66 LEU N N 66 118.738 118.738 120.826 -2.088 25125 13417 1 20 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.103 -0.245 25125 13418 1 20 . 1 1 66 66 LEU C C 66 178.631 178.631 178.875 -0.244 25125 13419 1 20 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.228 1.118 25125 13420 1 20 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.890 0.348 25125 13421 1 20 . 1 1 66 66 LEU H H 66 8.101 8.101 7.786 0.315 25125 13422 1 20 . 1 1 67 67 LYS N N 67 117.842 117.842 116.060 1.782 25125 13423 1 20 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.058 -0.076 25125 13424 1 20 . 1 1 67 67 LYS C C 67 179.263 179.263 179.319 -0.056 25125 13425 1 20 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.142 0.655 25125 13426 1 20 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.893 0.314 25125 13427 1 20 . 1 1 67 67 LYS H H 67 8.010 8.010 8.500 -0.490 25125 13428 1 20 . 1 1 68 68 GLN N N 68 118.875 118.875 118.507 0.368 25125 13429 1 20 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.290 -0.234 25125 13430 1 20 . 1 1 68 68 GLN C C 68 179.071 179.071 177.913 1.158 25125 13431 1 20 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.100 0.973 25125 13432 1 20 . 1 1 68 68 GLN CB C 68 28.611 28.611 27.954 0.657 25125 13433 1 20 . 1 1 68 68 GLN H H 68 7.809 7.809 7.588 0.221 25125 13434 1 20 . 1 1 69 69 ILE N N 69 120.377 120.377 121.568 -1.191 25125 13435 1 20 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.799 -0.269 25125 13436 1 20 . 1 1 69 69 ILE C C 69 177.421 177.421 178.121 -0.700 25125 13437 1 20 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.234 0.644 25125 13438 1 20 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.614 -0.030 25125 13439 1 20 . 1 1 69 69 ILE H H 69 8.481 8.481 8.068 0.413 25125 13440 1 20 . 1 1 70 70 LYS N N 70 117.873 117.873 117.826 0.047 25125 13441 1 20 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.189 -0.229 25125 13442 1 20 . 1 1 70 70 LYS C C 70 178.053 178.053 178.188 -0.135 25125 13443 1 20 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.158 -1.070 25125 13444 1 20 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.735 -0.523 25125 13445 1 20 . 1 1 70 70 LYS H H 70 8.220 8.220 7.572 0.648 25125 13446 1 20 . 1 1 71 71 GLN N N 71 116.315 116.315 117.234 -0.919 25125 13447 1 20 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.185 -0.193 25125 13448 1 20 . 1 1 71 71 GLN C C 71 177.366 177.366 177.978 -0.612 25125 13449 1 20 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.866 0.324 25125 13450 1 20 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.040 -0.375 25125 13451 1 20 . 1 1 71 71 GLN H H 71 7.601 7.601 7.774 -0.173 25125 13452 1 20 . 1 1 72 72 ARG N N 72 116.530 116.530 117.180 -0.650 25125 13453 1 20 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.138 -0.108 25125 13454 1 20 . 1 1 72 72 ARG C C 72 175.826 175.826 175.583 0.243 25125 13455 1 20 . 1 1 72 72 ARG CA C 72 57.222 57.222 56.530 0.692 25125 13456 1 20 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.424 0.378 25125 13457 1 20 . 1 1 72 72 ARG H H 72 7.301 7.301 8.186 -0.885 25125 13458 1 20 . 1 1 73 73 HIS N N 73 116.755 116.755 117.153 -0.398 25125 13459 1 20 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.859 0.101 25125 13460 1 20 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.596 -0.378 25125 13461 1 20 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.581 -0.019 25125 13462 1 20 . 1 1 73 73 HIS H H 73 8.331 8.331 7.750 0.581 25125 13463 1 20 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.425 0.074 25125 13464 1 20 . 1 1 74 74 PRO C C 74 178.466 178.466 177.110 1.356 25125 13465 1 20 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.692 0.421 25125 13466 1 20 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.201 -0.106 25125 13467 1 20 . 1 1 75 75 MET N N 75 114.814 114.814 113.848 0.966 25125 13468 1 20 . 1 1 75 75 MET HA H 75 4.567 4.567 4.635 -0.068 25125 13469 1 20 . 1 1 75 75 MET C C 75 176.046 176.046 175.262 0.784 25125 13470 1 20 . 1 1 75 75 MET CA C 75 54.266 54.266 55.250 -0.984 25125 13471 1 20 . 1 1 75 75 MET CB C 75 31.288 31.288 32.896 -1.608 25125 13472 1 20 . 1 1 75 75 MET H H 75 8.623 8.623 7.687 0.936 25125 13473 1 20 . 1 1 76 76 LEU N N 76 125.533 125.533 122.973 2.560 25125 13474 1 20 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.661 -0.356 25125 13475 1 20 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.881 1.231 25125 13476 1 20 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.789 -0.104 25125 13477 1 20 . 1 1 76 76 LEU H H 76 7.337 7.337 7.351 -0.014 25125 13478 1 20 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.555 -0.109 25125 13479 1 20 . 1 1 77 77 PRO C C 77 174.974 174.974 175.398 -0.424 25125 13480 1 20 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.445 0.382 25125 13481 1 20 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.401 -0.679 25125 13482 1 20 . 1 1 78 78 VAL N N 78 123.779 123.779 120.133 3.646 25125 13483 1 20 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.854 0.170 25125 13484 1 20 . 1 1 78 78 VAL C C 78 175.441 175.441 175.330 0.111 25125 13485 1 20 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.527 -0.334 25125 13486 1 20 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.066 -1.772 25125 13487 1 20 . 1 1 78 78 VAL H H 78 8.317 8.317 8.155 0.162 25125 13488 1 20 . 1 1 79 79 ILE N N 79 128.334 128.334 120.934 7.400 25125 13489 1 20 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.763 -0.282 25125 13490 1 20 . 1 1 79 79 ILE C C 79 174.479 174.479 174.813 -0.334 25125 13491 1 20 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.209 -0.688 25125 13492 1 20 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.736 -1.773 25125 13493 1 20 . 1 1 79 79 ILE H H 79 9.292 9.292 8.112 1.180 25125 13494 1 20 . 1 1 80 80 ILE N N 80 127.023 127.023 126.947 0.076 25125 13495 1 20 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.201 0.658 25125 13496 1 20 . 1 1 80 80 ILE C C 80 175.029 175.029 175.018 0.011 25125 13497 1 20 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.254 -2.097 25125 13498 1 20 . 1 1 80 80 ILE CB C 80 37.944 37.944 38.900 -0.956 25125 13499 1 20 . 1 1 80 80 ILE H H 80 7.938 7.938 8.864 -0.926 25125 13500 1 20 . 1 1 81 81 MET N N 81 127.255 127.255 125.774 1.481 25125 13501 1 20 . 1 1 81 81 MET HA H 81 5.521 5.521 5.414 0.107 25125 13502 1 20 . 1 1 81 81 MET C C 81 174.534 174.534 175.435 -0.901 25125 13503 1 20 . 1 1 81 81 MET CA C 81 53.513 53.513 55.011 -1.498 25125 13504 1 20 . 1 1 81 81 MET CB C 81 35.483 35.483 36.088 -0.605 25125 13505 1 20 . 1 1 81 81 MET H H 81 8.801 8.801 8.252 0.549 25125 13506 1 20 . 1 1 82 82 THR N N 82 112.857 112.857 117.344 -4.487 25125 13507 1 20 . 1 1 82 82 THR HA H 82 4.914 4.914 4.549 0.365 25125 13508 1 20 . 1 1 82 82 THR C C 82 172.581 172.581 174.593 -2.012 25125 13509 1 20 . 1 1 82 82 THR CA C 82 59.561 59.561 64.214 -4.653 25125 13510 1 20 . 1 1 82 82 THR CB C 82 69.989 69.989 69.391 0.598 25125 13511 1 20 . 1 1 82 82 THR H H 82 7.623 7.623 8.439 -0.816 25125 13512 1 20 . 1 1 83 83 ALA N N 83 129.541 129.541 123.593 5.948 25125 13513 1 20 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.943 0.765 25125 13514 1 20 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.154 -1.616 25125 13515 1 20 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.896 2.251 25125 13516 1 20 . 1 1 83 83 ALA H H 83 9.149 9.149 8.227 0.922 25125 13517 1 20 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.466 -0.194 25125 13518 1 20 . 1 1 84 84 HIS CA C 84 59.700 59.700 54.742 4.958 25125 13519 1 20 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.648 0.370 25125 13520 1 20 . 1 1 85 85 SER N N 85 112.633 112.633 114.849 -2.216 25125 13521 1 20 . 1 1 85 85 SER HA H 85 4.198 4.198 4.019 0.179 25125 13522 1 20 . 1 1 85 85 SER C C 85 174.506 174.506 173.484 1.022 25125 13523 1 20 . 1 1 85 85 SER CA C 85 59.823 59.823 60.366 -0.543 25125 13524 1 20 . 1 1 85 85 SER CB C 85 62.693 62.693 62.734 -0.041 25125 13525 1 20 . 1 1 85 85 SER H H 85 8.224 8.224 8.543 -0.319 25125 13526 1 20 . 1 1 86 86 ASP N N 86 120.886 120.886 125.387 -4.501 25125 13527 1 20 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.402 0.534 25125 13528 1 20 . 1 1 86 86 ASP C C 86 175.881 175.881 176.663 -0.782 25125 13529 1 20 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.529 -1.595 25125 13530 1 20 . 1 1 86 86 ASP CB C 86 42.003 42.003 40.936 1.067 25125 13531 1 20 . 1 1 86 86 ASP H H 86 7.608 7.608 7.843 -0.235 25125 13532 1 20 . 1 1 87 87 LEU N N 87 121.913 121.913 121.505 0.408 25125 13533 1 20 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.766 0.153 25125 13534 1 20 . 1 1 87 87 LEU C C 87 177.586 177.586 177.866 -0.280 25125 13535 1 20 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.285 -0.448 25125 13536 1 20 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.805 0.510 25125 13537 1 20 . 1 1 87 87 LEU H H 87 7.498 7.498 7.452 0.046 25125 13538 1 20 . 1 1 88 88 ASP N N 88 117.621 117.621 118.297 -0.676 25125 13539 1 20 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.189 0.083 25125 13540 1 20 . 1 1 88 88 ASP C C 88 178.246 178.246 177.611 0.635 25125 13541 1 20 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.862 -1.052 25125 13542 1 20 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.615 -0.482 25125 13543 1 20 . 1 1 88 88 ASP H H 88 8.322 8.322 8.824 -0.502 25125 13544 1 20 . 1 1 89 89 ALA N N 89 122.874 122.874 120.159 2.715 25125 13545 1 20 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.381 -0.287 25125 13546 1 20 . 1 1 89 89 ALA C C 89 179.346 179.346 179.128 0.218 25125 13547 1 20 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.116 0.037 25125 13548 1 20 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.573 -0.312 25125 13549 1 20 . 1 1 89 89 ALA H H 89 7.838 7.838 7.348 0.490 25125 13550 1 20 . 1 1 90 90 ALA N N 90 121.673 121.673 122.047 -0.374 25125 13551 1 20 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.176 -0.243 25125 13552 1 20 . 1 1 90 90 ALA C C 90 178.686 178.686 180.280 -1.594 25125 13553 1 20 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.806 -0.143 25125 13554 1 20 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.214 0.168 25125 13555 1 20 . 1 1 90 90 ALA H H 90 7.896 7.896 7.674 0.222 25125 13556 1 20 . 1 1 91 91 VAL N N 91 117.749 117.749 119.363 -1.614 25125 13557 1 20 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.935 -0.323 25125 13558 1 20 . 1 1 91 91 VAL C C 91 178.411 178.411 177.440 0.971 25125 13559 1 20 . 1 1 91 91 VAL CA C 91 65.181 65.181 65.875 -0.694 25125 13560 1 20 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.484 0.153 25125 13561 1 20 . 1 1 91 91 VAL H H 91 8.098 8.098 8.692 -0.594 25125 13562 1 20 . 1 1 92 92 SER N N 92 114.942 114.942 113.730 1.212 25125 13563 1 20 . 1 1 92 92 SER HA H 92 4.231 4.231 4.441 -0.210 25125 13564 1 20 . 1 1 92 92 SER C C 92 175.826 175.826 175.500 0.326 25125 13565 1 20 . 1 1 92 92 SER CA C 92 60.649 60.649 59.904 0.745 25125 13566 1 20 . 1 1 92 92 SER CB C 92 63.063 63.063 63.960 -0.897 25125 13567 1 20 . 1 1 92 92 SER H H 92 7.825 7.825 7.776 0.049 25125 13568 1 20 . 1 1 93 93 ALA N N 93 122.580 122.580 124.736 -2.156 25125 13569 1 20 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.176 -0.119 25125 13570 1 20 . 1 1 93 93 ALA C C 93 178.906 178.906 179.260 -0.354 25125 13571 1 20 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.424 -0.107 25125 13572 1 20 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.354 -0.057 25125 13573 1 20 . 1 1 93 93 ALA H H 93 7.861 7.861 8.173 -0.312 25125 13574 1 20 . 1 1 94 94 TYR N N 94 118.447 118.447 120.706 -2.259 25125 13575 1 20 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.269 0.223 25125 13576 1 20 . 1 1 94 94 TYR C C 94 177.393 177.393 177.485 -0.092 25125 13577 1 20 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.040 -0.789 25125 13578 1 20 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.414 0.020 25125 13579 1 20 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125 13580 1 20 . 1 1 95 95 GLN N N 95 119.787 119.787 115.564 4.223 25125 13581 1 20 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.014 0.029 25125 13582 1 20 . 1 1 95 95 GLN C C 95 176.981 176.981 176.274 0.707 25125 13583 1 20 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.788 0.679 25125 13584 1 20 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.939 0.150 25125 13585 1 20 . 1 1 95 95 GLN H H 95 8.271 8.271 8.041 0.230 25125 13586 1 20 . 1 1 96 96 GLN N N 96 117.878 117.878 116.949 0.929 25125 13587 1 20 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.250 0.095 25125 13588 1 20 . 1 1 96 96 GLN C C 96 175.854 175.854 176.083 -0.229 25125 13589 1 20 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.986 0.185 25125 13590 1 20 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.168 0.307 25125 13591 1 20 . 1 1 96 96 GLN H H 96 7.944 7.944 7.617 0.327 25125 13592 1 20 . 1 1 97 97 GLY N N 97 106.670 106.670 105.940 0.730 25125 13593 1 20 . 1 1 97 97 GLY C C 97 174.231 174.231 172.845 1.386 25125 13594 1 20 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.677 0.809 25125 13595 1 20 . 1 1 97 97 GLY H H 97 7.949 7.949 8.207 -0.258 25125 13596 1 20 . 1 1 98 98 ALA N N 98 122.898 122.898 121.579 1.319 25125 13597 1 20 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.541 -0.166 25125 13598 1 20 . 1 1 98 98 ALA C C 98 175.991 175.991 175.454 0.537 25125 13599 1 20 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.820 2.348 25125 13600 1 20 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.455 -1.486 25125 13601 1 20 . 1 1 98 98 ALA H H 98 7.808 7.808 7.173 0.635 25125 13602 1 20 . 1 1 99 99 PHE N N 99 123.484 123.484 120.122 3.362 25125 13603 1 20 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.398 -0.048 25125 13604 1 20 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.398 2.058 25125 13605 1 20 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.034 -0.594 25125 13606 1 20 . 1 1 99 99 PHE H H 99 7.704 7.704 8.256 -0.552 25125 13607 1 20 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.837 0.667 25125 13608 1 20 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.514 -2.032 25125 13609 1 20 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.366 3.834 25125 13610 1 20 . 1 1 101 101 TYR N N 101 118.148 118.148 119.634 -1.486 25125 13611 1 20 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.470 0.978 25125 13612 1 20 . 1 1 101 101 TYR C C 101 173.159 173.159 174.612 -1.453 25125 13613 1 20 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.203 -0.216 25125 13614 1 20 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.157 2.741 25125 13615 1 20 . 1 1 101 101 TYR H H 101 9.546 9.546 7.266 2.280 25125 13616 1 20 . 1 1 102 102 LEU N N 102 124.100 124.100 120.071 4.029 25125 13617 1 20 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.061 -0.341 25125 13618 1 20 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.601 -1.102 25125 13619 1 20 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.426 -0.365 25125 13620 1 20 . 1 1 102 102 LEU H H 102 8.901 8.901 8.779 0.122 25125 13621 1 20 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.672 0.221 25125 13622 1 20 . 1 1 103 103 PRO C C 103 175.524 175.524 175.874 -0.350 25125 13623 1 20 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.716 -0.831 25125 13624 1 20 . 1 1 103 103 PRO CB C 103 31.807 31.807 33.217 -1.410 25125 13625 1 20 . 1 1 104 104 LYS N N 104 118.848 118.848 120.734 -1.886 25125 13626 1 20 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.933 -0.420 25125 13627 1 20 . 1 1 104 104 LYS CA C 104 53.218 53.218 52.578 0.640 25125 13628 1 20 . 1 1 104 104 LYS CB C 104 34.744 34.744 32.383 2.361 25125 13629 1 20 . 1 1 104 104 LYS H H 104 8.279 8.279 8.040 0.239 25125 13630 1 20 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.311 -0.012 25125 13631 1 20 . 1 1 105 105 PRO C C 105 175.001 175.001 175.858 -0.857 25125 13632 1 20 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.647 -0.252 25125 13633 1 20 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.105 1.990 25125 13634 1 20 . 1 1 106 106 PHE N N 106 116.607 116.607 115.490 1.117 25125 13635 1 20 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.700 0.470 25125 13636 1 20 . 1 1 106 106 PHE C C 106 175.221 175.221 174.230 0.991 25125 13637 1 20 . 1 1 106 106 PHE CA C 106 53.435 53.435 56.223 -2.788 25125 13638 1 20 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.127 0.273 25125 13639 1 20 . 1 1 106 106 PHE H H 106 7.457 7.457 7.561 -0.104 25125 13640 1 20 . 1 1 107 107 ASP N N 107 122.214 122.214 122.083 0.131 25125 13641 1 20 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.003 -0.171 25125 13642 1 20 . 1 1 107 107 ASP C C 107 177.778 177.778 177.375 0.403 25125 13643 1 20 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.549 -0.307 25125 13644 1 20 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.370 1.227 25125 13645 1 20 . 1 1 107 107 ASP H H 107 9.022 9.022 8.542 0.480 25125 13646 1 20 . 1 1 108 108 ILE N N 108 127.706 127.706 125.395 2.311 25125 13647 1 20 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.753 0.212 25125 13648 1 20 . 1 1 108 108 ILE C C 108 176.046 176.046 177.142 -1.096 25125 13649 1 20 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.748 -1.759 25125 13650 1 20 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.039 -0.285 25125 13651 1 20 . 1 1 108 108 ILE H H 108 8.860 8.860 8.784 0.076 25125 13652 1 20 . 1 1 109 109 ASP N N 109 120.058 120.058 119.089 0.969 25125 13653 1 20 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.363 0.025 25125 13654 1 20 . 1 1 109 109 ASP C C 109 179.786 179.786 179.218 0.568 25125 13655 1 20 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.592 -0.098 25125 13656 1 20 . 1 1 109 109 ASP CB C 109 40.054 40.054 39.932 0.122 25125 13657 1 20 . 1 1 109 109 ASP H H 109 8.079 8.079 8.644 -0.565 25125 13658 1 20 . 1 1 110 110 GLU N N 110 121.559 121.559 119.373 2.186 25125 13659 1 20 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.193 -0.125 25125 13660 1 20 . 1 1 110 110 GLU C C 110 179.043 179.043 178.537 0.506 25125 13661 1 20 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.358 0.468 25125 13662 1 20 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.997 -0.654 25125 13663 1 20 . 1 1 110 110 GLU H H 110 8.012 8.012 8.105 -0.093 25125 13664 1 20 . 1 1 111 111 ALA N N 111 122.267 122.267 123.622 -1.355 25125 13665 1 20 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.967 -0.213 25125 13666 1 20 . 1 1 111 111 ALA C C 111 178.493 178.493 179.576 -1.083 25125 13667 1 20 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.362 -0.190 25125 13668 1 20 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.238 0.144 25125 13669 1 20 . 1 1 111 111 ALA H H 111 7.897 7.897 7.844 0.053 25125 13670 1 20 . 1 1 112 112 VAL N N 112 116.527 116.527 117.527 -1.000 25125 13671 1 20 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.624 -0.457 25125 13672 1 20 . 1 1 112 112 VAL C C 112 177.201 177.201 178.015 -0.814 25125 13673 1 20 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.668 0.477 25125 13674 1 20 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.036 0.516 25125 13675 1 20 . 1 1 112 112 VAL H H 112 8.018 8.018 8.488 -0.470 25125 13676 1 20 . 1 1 113 113 ALA N N 113 119.895 119.895 120.784 -0.889 25125 13677 1 20 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.274 -0.136 25125 13678 1 20 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.868 0.964 25125 13679 1 20 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.920 -1.048 25125 13680 1 20 . 1 1 113 113 ALA H H 113 7.673 7.673 7.341 0.332 25125 13681 1 20 . 1 1 114 114 LEU N N 114 120.650 120.650 120.701 -0.051 25125 13682 1 20 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.125 -0.042 25125 13683 1 20 . 1 1 114 114 LEU C C 114 178.466 178.466 178.484 -0.018 25125 13684 1 20 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.654 0.366 25125 13685 1 20 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.102 -0.269 25125 13686 1 20 . 1 1 114 114 LEU H H 114 7.840 7.840 7.692 0.148 25125 13687 1 20 . 1 1 115 115 VAL N N 115 119.480 119.480 118.698 0.782 25125 13688 1 20 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.445 -0.233 25125 13689 1 20 . 1 1 115 115 VAL C C 115 177.448 177.448 177.010 0.438 25125 13690 1 20 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.416 0.785 25125 13691 1 20 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.919 -1.248 25125 13692 1 20 . 1 1 115 115 VAL H H 115 7.824 7.824 8.102 -0.278 25125 13693 1 20 . 1 1 116 116 GLU N N 116 117.473 117.473 118.527 -1.054 25125 13694 1 20 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.923 -0.134 25125 13695 1 20 . 1 1 116 116 GLU C C 116 179.566 179.566 178.494 1.072 25125 13696 1 20 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.349 0.581 25125 13697 1 20 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.387 -0.290 25125 13698 1 20 . 1 1 116 116 GLU H H 116 8.465 8.465 7.828 0.637 25125 13699 1 20 . 1 1 117 117 ARG N N 117 120.128 120.128 119.055 1.073 25125 13700 1 20 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.097 -0.033 25125 13701 1 20 . 1 1 117 117 ARG C C 117 178.438 178.438 177.193 1.245 25125 13702 1 20 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.476 0.802 25125 13703 1 20 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.063 0.214 25125 13704 1 20 . 1 1 117 117 ARG H H 117 8.012 8.012 7.526 0.486 25125 13705 1 20 . 1 1 118 118 ALA N N 118 122.270 122.270 120.529 1.741 25125 13706 1 20 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.834 -0.378 25125 13707 1 20 . 1 1 118 118 ALA C C 118 178.741 178.741 178.307 0.434 25125 13708 1 20 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.929 0.649 25125 13709 1 20 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.115 -0.957 25125 13710 1 20 . 1 1 118 118 ALA H H 118 7.958 7.958 7.308 0.650 25125 13711 1 20 . 1 1 119 119 ILE N N 119 115.269 115.269 117.120 -1.851 25125 13712 1 20 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.288 -0.560 25125 13713 1 20 . 1 1 119 119 ILE C C 119 177.366 177.366 178.517 -1.151 25125 13714 1 20 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.072 -0.403 25125 13715 1 20 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.547 -0.749 25125 13716 1 20 . 1 1 119 119 ILE H H 119 7.753 7.753 7.766 -0.013 25125 13717 1 20 . 1 1 120 120 SER N N 120 115.135 115.135 115.476 -0.341 25125 13718 1 20 . 1 1 120 120 SER HA H 120 4.275 4.275 4.124 0.151 25125 13719 1 20 . 1 1 120 120 SER C C 120 175.084 175.084 176.012 -0.928 25125 13720 1 20 . 1 1 120 120 SER CA C 120 59.816 59.816 61.221 -1.405 25125 13721 1 20 . 1 1 120 120 SER CB C 120 63.380 63.380 62.706 0.674 25125 13722 1 20 . 1 1 120 120 SER H H 120 7.816 7.816 8.295 -0.479 25125 13723 1 20 . 1 1 121 121 HIS N N 121 119.908 119.908 118.865 1.043 25125 13724 1 20 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.273 0.149 25125 13725 1 20 . 1 1 121 121 HIS C C 121 175.029 175.029 176.116 -1.087 25125 13726 1 20 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.575 -1.339 25125 13727 1 20 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.362 0.066 25125 13728 1 20 . 1 1 121 121 HIS H H 121 7.910 7.910 7.773 0.137 25125 13729 1 20 . 1 1 122 122 TYR N N 122 118.880 118.880 116.999 1.881 25125 13730 1 20 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.436 -0.010 25125 13731 1 20 . 1 1 122 122 TYR C C 122 175.276 175.276 177.579 -2.303 25125 13732 1 20 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.481 -1.032 25125 13733 1 20 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.849 -0.245 25125 13734 1 20 . 1 1 122 122 TYR H H 122 7.766 7.766 7.898 -0.132 25125 13735 1 20 . 1 1 123 123 GLN N N 123 121.479 121.479 119.165 2.314 25125 13736 1 20 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.186 0.084 25125 13737 1 20 . 1 1 123 123 GLN C C 123 174.534 174.534 176.139 -1.605 25125 13738 1 20 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.795 -2.284 25125 13739 1 20 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.301 0.467 25125 13740 1 20 . 1 1 123 123 GLN H H 123 7.878 7.878 7.853 0.025 25125 13741 1 21 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.478 -0.045 25125 13742 1 21 . 1 1 2 2 GLN CA C 2 55.564 55.564 57.660 -2.096 25125 13743 1 21 . 1 1 2 2 GLN CB C 2 29.600 29.600 29.412 0.188 25125 13744 1 21 . 1 1 3 3 ARG N N 3 121.252 121.252 119.264 1.988 25125 13745 1 21 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.446 -0.081 25125 13746 1 21 . 1 1 3 3 ARG C C 3 175.634 175.634 175.112 0.522 25125 13747 1 21 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.278 -0.287 25125 13748 1 21 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.522 0.775 25125 13749 1 21 . 1 1 3 3 ARG H H 3 8.429 8.429 8.776 -0.347 25125 13750 1 21 . 1 1 4 4 GLY N N 4 107.663 107.663 109.416 -1.753 25125 13751 1 21 . 1 1 4 4 GLY C C 4 171.041 171.041 173.563 -2.522 25125 13752 1 21 . 1 1 4 4 GLY CA C 4 45.316 45.316 45.048 0.268 25125 13753 1 21 . 1 1 4 4 GLY H H 4 7.963 7.963 8.051 -0.088 25125 13754 1 21 . 1 1 5 5 ILE N N 5 122.603 122.603 125.124 -2.521 25125 13755 1 21 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.009 0.690 25125 13756 1 21 . 1 1 5 5 ILE C C 5 175.359 175.359 174.996 0.363 25125 13757 1 21 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.917 -1.307 25125 13758 1 21 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.266 0.310 25125 13759 1 21 . 1 1 5 5 ILE H H 5 9.610 9.610 8.151 1.459 25125 13760 1 21 . 1 1 6 6 VAL N N 6 127.905 127.905 125.289 2.616 25125 13761 1 21 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.043 -0.231 25125 13762 1 21 . 1 1 6 6 VAL C C 6 174.204 174.204 175.679 -1.475 25125 13763 1 21 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.567 -1.008 25125 13764 1 21 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.783 0.743 25125 13765 1 21 . 1 1 6 6 VAL H H 6 9.090 9.090 7.871 1.219 25125 13766 1 21 . 1 1 7 7 TRP N N 7 127.467 127.467 127.594 -0.127 25125 13767 1 21 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.308 1.146 25125 13768 1 21 . 1 1 7 7 TRP C C 7 175.056 175.056 175.252 -0.196 25125 13769 1 21 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.421 -1.543 25125 13770 1 21 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.647 0.487 25125 13771 1 21 . 1 1 7 7 TRP H H 7 8.497 8.497 8.301 0.196 25125 13772 1 21 . 1 1 8 8 VAL N N 8 122.068 122.068 118.416 3.652 25125 13773 1 21 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.535 0.551 25125 13774 1 21 . 1 1 8 8 VAL C C 8 173.874 173.874 173.836 0.038 25125 13775 1 21 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.020 -0.534 25125 13776 1 21 . 1 1 8 8 VAL CB C 8 35.715 35.715 36.211 -0.496 25125 13777 1 21 . 1 1 8 8 VAL H H 8 8.583 8.583 9.501 -0.918 25125 13778 1 21 . 1 1 9 9 VAL N N 9 127.733 127.733 125.647 2.086 25125 13779 1 21 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.632 0.329 25125 13780 1 21 . 1 1 9 9 VAL C C 9 173.131 173.131 174.243 -1.112 25125 13781 1 21 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.065 -0.390 25125 13782 1 21 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.056 0.855 25125 13783 1 21 . 1 1 9 9 VAL H H 9 9.107 9.107 8.587 0.520 25125 13784 1 21 . 1 1 10 10 ASP N N 10 124.306 124.306 125.204 -0.898 25125 13785 1 21 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.894 -0.326 25125 13786 1 21 . 1 1 10 10 ASP C C 10 175.029 175.029 174.684 0.345 25125 13787 1 21 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.679 2.068 25125 13788 1 21 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.969 0.140 25125 13789 1 21 . 1 1 10 10 ASP H H 10 7.775 7.775 7.871 -0.096 25125 13790 1 21 . 1 1 11 11 ASP N N 11 126.714 126.714 117.646 9.068 25125 13791 1 21 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.857 -0.322 25125 13792 1 21 . 1 1 11 11 ASP C C 11 175.689 175.689 174.558 1.131 25125 13793 1 21 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.263 2.455 25125 13794 1 21 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.489 0.585 25125 13795 1 21 . 1 1 11 11 ASP H H 11 9.033 9.033 8.510 0.523 25125 13796 1 21 . 1 1 12 12 ASP N N 12 121.877 121.877 119.895 1.982 25125 13797 1 21 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.932 -0.286 25125 13798 1 21 . 1 1 12 12 ASP C C 12 177.036 177.036 176.575 0.461 25125 13799 1 21 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.023 0.280 25125 13800 1 21 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.207 -3.043 25125 13801 1 21 . 1 1 12 12 ASP H H 12 9.570 9.570 8.068 1.502 25125 13802 1 21 . 1 1 13 13 SER N N 13 123.799 123.799 117.793 6.006 25125 13803 1 21 . 1 1 13 13 SER HA H 13 3.761 3.761 4.358 -0.597 25125 13804 1 21 . 1 1 13 13 SER C C 13 176.156 176.156 176.199 -0.043 25125 13805 1 21 . 1 1 13 13 SER CA C 13 61.186 61.186 61.508 -0.322 25125 13806 1 21 . 1 1 13 13 SER CB C 13 62.749 62.749 63.289 -0.540 25125 13807 1 21 . 1 1 13 13 SER H H 13 8.850 8.850 8.830 0.020 25125 13808 1 21 . 1 1 14 14 SER N N 14 119.123 119.123 117.431 1.692 25125 13809 1 21 . 1 1 14 14 SER HA H 14 4.361 4.361 4.345 0.016 25125 13810 1 21 . 1 1 14 14 SER C C 14 176.404 176.404 176.823 -0.419 25125 13811 1 21 . 1 1 14 14 SER CA C 14 61.730 61.730 61.836 -0.106 25125 13812 1 21 . 1 1 14 14 SER CB C 14 62.548 62.548 62.416 0.133 25125 13813 1 21 . 1 1 14 14 SER H H 14 8.531 8.531 8.704 -0.173 25125 13814 1 21 . 1 1 15 15 ILE N N 15 123.637 123.637 121.825 1.812 25125 13815 1 21 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.867 0.078 25125 13816 1 21 . 1 1 15 15 ILE C C 15 177.861 177.861 178.142 -0.281 25125 13817 1 21 . 1 1 15 15 ILE CA C 15 61.200 61.200 64.417 -3.217 25125 13818 1 21 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.745 -0.859 25125 13819 1 21 . 1 1 15 15 ILE H H 15 7.206 7.206 8.268 -1.062 25125 13820 1 21 . 1 1 16 16 ARG N N 16 116.694 116.694 118.818 -2.124 25125 13821 1 21 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.243 -0.520 25125 13822 1 21 . 1 1 16 16 ARG C C 16 177.448 177.448 178.473 -1.025 25125 13823 1 21 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.691 2.882 25125 13824 1 21 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.623 0.824 25125 13825 1 21 . 1 1 16 16 ARG H H 16 7.562 7.562 7.866 -0.304 25125 13826 1 21 . 1 1 17 17 TRP N N 17 116.848 116.848 122.739 -5.891 25125 13827 1 21 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.361 0.110 25125 13828 1 21 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.025 -0.585 25125 13829 1 21 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.541 -0.249 25125 13830 1 21 . 1 1 17 17 TRP H H 17 8.005 8.005 7.908 0.097 25125 13831 1 21 . 1 1 18 18 VAL N N 18 116.964 116.964 119.954 -2.990 25125 13832 1 21 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.847 0.828 25125 13833 1 21 . 1 1 18 18 VAL C C 18 179.181 179.181 177.533 1.648 25125 13834 1 21 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.483 0.225 25125 13835 1 21 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.387 0.250 25125 13836 1 21 . 1 1 18 18 VAL H H 18 8.110 8.110 8.722 -0.612 25125 13837 1 21 . 1 1 19 19 LEU N N 19 120.186 120.186 117.790 2.396 25125 13838 1 21 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.075 0.000 25125 13839 1 21 . 1 1 19 19 LEU C C 19 177.778 177.778 179.000 -1.222 25125 13840 1 21 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.677 0.145 25125 13841 1 21 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.385 0.396 25125 13842 1 21 . 1 1 19 19 LEU H H 19 8.073 8.073 7.505 0.568 25125 13843 1 21 . 1 1 20 20 GLU N N 20 120.193 120.193 119.622 0.571 25125 13844 1 21 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.026 -0.085 25125 13845 1 21 . 1 1 20 20 GLU C C 20 178.603 178.603 178.733 -0.130 25125 13846 1 21 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.410 1.200 25125 13847 1 21 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.787 -0.699 25125 13848 1 21 . 1 1 20 20 GLU H H 20 8.387 8.387 8.194 0.193 25125 13849 1 21 . 1 1 21 21 ARG N N 21 116.076 116.076 118.646 -2.570 25125 13850 1 21 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.876 0.017 25125 13851 1 21 . 1 1 21 21 ARG C C 21 179.676 179.676 178.599 1.077 25125 13852 1 21 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.477 0.972 25125 13853 1 21 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.734 1.119 25125 13854 1 21 . 1 1 21 21 ARG H H 21 7.602 7.602 7.923 -0.321 25125 13855 1 21 . 1 1 22 22 ALA N N 22 122.405 122.405 121.557 0.848 25125 13856 1 21 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.025 0.072 25125 13857 1 21 . 1 1 22 22 ALA C C 22 180.501 180.501 179.964 0.537 25125 13858 1 21 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.917 -0.339 25125 13859 1 21 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.121 1.111 25125 13860 1 21 . 1 1 22 22 ALA H H 22 7.992 7.992 7.694 0.298 25125 13861 1 21 . 1 1 23 23 LEU N N 23 118.026 118.026 118.085 -0.059 25125 13862 1 21 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.024 -0.023 25125 13863 1 21 . 1 1 23 23 LEU C C 23 178.878 178.878 179.277 -0.399 25125 13864 1 21 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.054 0.667 25125 13865 1 21 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.765 -2.110 25125 13866 1 21 . 1 1 23 23 LEU H H 23 8.825 8.825 7.468 1.357 25125 13867 1 21 . 1 1 24 24 ALA N N 24 122.159 122.159 121.168 0.991 25125 13868 1 21 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.021 0.612 25125 13869 1 21 . 1 1 24 24 ALA C C 24 183.141 183.141 178.742 4.399 25125 13870 1 21 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.354 0.393 25125 13871 1 21 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.585 -0.883 25125 13872 1 21 . 1 1 24 24 ALA H H 24 8.125 8.125 8.255 -0.130 25125 13873 1 21 . 1 1 25 25 GLY N N 25 106.891 106.891 105.294 1.597 25125 13874 1 21 . 1 1 25 25 GLY C C 25 174.286 174.286 174.140 0.146 25125 13875 1 21 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.029 1.392 25125 13876 1 21 . 1 1 25 25 GLY H H 25 7.870 7.870 7.917 -0.047 25125 13877 1 21 . 1 1 26 26 ALA N N 26 121.819 121.819 122.713 -0.894 25125 13878 1 21 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.664 -0.165 25125 13879 1 21 . 1 1 26 26 ALA C C 26 176.953 176.953 177.213 -0.260 25125 13880 1 21 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.171 0.348 25125 13881 1 21 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.477 -1.754 25125 13882 1 21 . 1 1 26 26 ALA H H 26 7.285 7.285 7.344 -0.059 25125 13883 1 21 . 1 1 27 27 GLY N N 27 106.197 106.197 106.872 -0.675 25125 13884 1 21 . 1 1 27 27 GLY C C 27 173.956 173.956 173.394 0.562 25125 13885 1 21 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.384 0.932 25125 13886 1 21 . 1 1 27 27 GLY H H 27 7.824 7.824 8.502 -0.678 25125 13887 1 21 . 1 1 28 28 LEU N N 28 120.291 120.291 118.346 1.945 25125 13888 1 21 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.809 -0.234 25125 13889 1 21 . 1 1 28 28 LEU C C 28 175.881 175.881 175.947 -0.066 25125 13890 1 21 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.509 0.134 25125 13891 1 21 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.523 -2.038 25125 13892 1 21 . 1 1 28 28 LEU H H 28 7.678 7.678 7.135 0.543 25125 13893 1 21 . 1 1 29 29 THR N N 29 118.040 118.040 116.890 1.150 25125 13894 1 21 . 1 1 29 29 THR HA H 29 4.335 4.335 4.257 0.078 25125 13895 1 21 . 1 1 29 29 THR C C 29 173.186 173.186 174.110 -0.924 25125 13896 1 21 . 1 1 29 29 THR CA C 29 62.479 62.479 63.944 -1.465 25125 13897 1 21 . 1 1 29 29 THR CB C 29 69.465 69.465 69.458 0.007 25125 13898 1 21 . 1 1 29 29 THR H H 29 8.527 8.527 8.391 0.136 25125 13899 1 21 . 1 1 30 30 CYS N N 30 128.387 128.387 120.941 7.446 25125 13900 1 21 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.340 0.603 25125 13901 1 21 . 1 1 30 30 CYS C C 30 173.846 173.846 174.139 -0.293 25125 13902 1 21 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.337 0.025 25125 13903 1 21 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.074 -1.594 25125 13904 1 21 . 1 1 30 30 CYS H H 30 8.968 8.968 8.297 0.671 25125 13905 1 21 . 1 1 31 31 THR N N 31 126.481 126.481 123.410 3.071 25125 13906 1 21 . 1 1 31 31 THR HA H 31 4.433 4.433 4.433 -0.000 25125 13907 1 21 . 1 1 31 31 THR C C 31 172.609 172.609 173.438 -0.829 25125 13908 1 21 . 1 1 31 31 THR CA C 31 61.951 61.951 61.578 0.374 25125 13909 1 21 . 1 1 31 31 THR CB C 31 70.567 70.567 70.137 0.430 25125 13910 1 21 . 1 1 31 31 THR H H 31 8.614 8.614 8.551 0.063 25125 13911 1 21 . 1 1 32 32 THR N N 32 116.418 116.418 118.875 -2.457 25125 13912 1 21 . 1 1 32 32 THR HA H 32 5.330 5.330 4.781 0.549 25125 13913 1 21 . 1 1 32 32 THR C C 32 172.306 172.306 173.221 -0.915 25125 13914 1 21 . 1 1 32 32 THR CA C 32 59.173 59.173 60.478 -1.305 25125 13915 1 21 . 1 1 32 32 THR CB C 32 70.917 70.917 69.562 1.355 25125 13916 1 21 . 1 1 32 32 THR H H 32 8.299 8.299 8.285 0.014 25125 13917 1 21 . 1 1 33 33 PHE N N 33 118.067 118.067 123.725 -5.658 25125 13918 1 21 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.589 0.054 25125 13919 1 21 . 1 1 33 33 PHE C C 33 174.341 174.341 174.980 -0.639 25125 13920 1 21 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.598 -0.066 25125 13921 1 21 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.146 1.163 25125 13922 1 21 . 1 1 33 33 PHE H H 33 8.890 8.890 8.591 0.299 25125 13923 1 21 . 1 1 34 34 GLU N N 34 118.499 118.499 115.099 3.400 25125 13924 1 21 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.805 -0.451 25125 13925 1 21 . 1 1 34 34 GLU C C 34 175.414 175.414 175.034 0.380 25125 13926 1 21 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.501 1.191 25125 13927 1 21 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.855 0.612 25125 13928 1 21 . 1 1 34 34 GLU H H 34 9.023 9.023 8.689 0.334 25125 13929 1 21 . 1 1 35 35 ASN N N 35 109.907 109.907 117.561 -7.654 25125 13930 1 21 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.906 -0.125 25125 13931 1 21 . 1 1 35 35 ASN C C 35 175.139 175.139 176.273 -1.134 25125 13932 1 21 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.145 -0.999 25125 13933 1 21 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.973 1.350 25125 13934 1 21 . 1 1 35 35 ASN H H 35 7.401 7.401 7.556 -0.155 25125 13935 1 21 . 1 1 36 36 GLY N N 36 106.739 106.739 113.812 -7.073 25125 13936 1 21 . 1 1 36 36 GLY C C 36 174.616 174.616 175.092 -0.476 25125 13937 1 21 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.303 -0.287 25125 13938 1 21 . 1 1 36 36 GLY H H 36 8.877 8.877 9.034 -0.157 25125 13939 1 21 . 1 1 37 37 ASN N N 37 120.462 120.462 118.815 1.647 25125 13940 1 21 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.433 -0.071 25125 13941 1 21 . 1 1 37 37 ASN C C 37 178.686 178.686 177.444 1.242 25125 13942 1 21 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.742 0.790 25125 13943 1 21 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.648 -1.064 25125 13944 1 21 . 1 1 37 37 ASN H H 37 8.366 8.366 8.233 0.133 25125 13945 1 21 . 1 1 38 38 GLU N N 38 119.360 119.360 117.980 1.380 25125 13946 1 21 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.210 -0.140 25125 13947 1 21 . 1 1 38 38 GLU C C 38 179.263 179.263 177.605 1.658 25125 13948 1 21 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.987 0.645 25125 13949 1 21 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.039 0.493 25125 13950 1 21 . 1 1 38 38 GLU H H 38 7.990 7.990 8.002 -0.012 25125 13951 1 21 . 1 1 39 39 VAL N N 39 119.259 119.259 119.419 -0.160 25125 13952 1 21 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.085 -0.317 25125 13953 1 21 . 1 1 39 39 VAL C C 39 176.431 176.431 177.305 -0.874 25125 13954 1 21 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.196 -0.253 25125 13955 1 21 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.842 -0.767 25125 13956 1 21 . 1 1 39 39 VAL H H 39 6.883 6.883 7.446 -0.563 25125 13957 1 21 . 1 1 40 40 LEU N N 40 119.627 119.627 120.971 -1.344 25125 13958 1 21 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.983 -0.056 25125 13959 1 21 . 1 1 40 40 LEU C C 40 179.538 179.538 178.061 1.477 25125 13960 1 21 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.018 -0.078 25125 13961 1 21 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.558 -0.490 25125 13962 1 21 . 1 1 40 40 LEU H H 40 7.692 7.692 8.305 -0.613 25125 13963 1 21 . 1 1 41 41 ALA N N 41 120.051 120.051 119.933 0.118 25125 13964 1 21 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.139 0.001 25125 13965 1 21 . 1 1 41 41 ALA C C 41 180.528 180.528 179.701 0.827 25125 13966 1 21 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.510 0.140 25125 13967 1 21 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.974 -0.108 25125 13968 1 21 . 1 1 41 41 ALA H H 41 7.553 7.553 7.843 -0.290 25125 13969 1 21 . 1 1 42 42 ALA N N 42 122.731 122.731 122.543 0.188 25125 13970 1 21 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.164 0.035 25125 13971 1 21 . 1 1 42 42 ALA C C 42 180.198 180.198 180.314 -0.116 25125 13972 1 21 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.499 0.533 25125 13973 1 21 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.179 1.220 25125 13974 1 21 . 1 1 42 42 ALA H H 42 7.604 7.604 7.274 0.330 25125 13975 1 21 . 1 1 43 43 LEU N N 43 119.131 119.131 118.222 0.909 25125 13976 1 21 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.168 1.038 25125 13977 1 21 . 1 1 43 43 LEU C C 43 177.421 177.421 179.128 -1.707 25125 13978 1 21 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.370 -1.825 25125 13979 1 21 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.268 1.336 25125 13980 1 21 . 1 1 43 43 LEU H H 43 8.288 8.288 7.921 0.367 25125 13981 1 21 . 1 1 44 44 ALA N N 44 119.065 119.065 119.308 -0.243 25125 13982 1 21 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.358 -0.129 25125 13983 1 21 . 1 1 44 44 ALA C C 44 178.686 178.686 177.998 0.688 25125 13984 1 21 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.346 0.892 25125 13985 1 21 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.647 -0.131 25125 13986 1 21 . 1 1 44 44 ALA H H 44 7.302 7.302 7.882 -0.580 25125 13987 1 21 . 1 1 45 45 SER N N 45 108.656 108.656 113.338 -4.682 25125 13988 1 21 . 1 1 45 45 SER HA H 45 4.742 4.742 4.657 0.085 25125 13989 1 21 . 1 1 45 45 SER C C 45 173.296 173.296 174.852 -1.556 25125 13990 1 21 . 1 1 45 45 SER CA C 45 58.656 58.656 59.417 -0.761 25125 13991 1 21 . 1 1 45 45 SER CB C 45 65.407 65.407 64.583 0.824 25125 13992 1 21 . 1 1 45 45 SER H H 45 7.728 7.728 7.959 -0.231 25125 13993 1 21 . 1 1 46 46 LYS N N 46 123.016 123.016 120.222 2.794 25125 13994 1 21 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.380 0.206 25125 13995 1 21 . 1 1 46 46 LYS C C 46 172.719 172.719 175.044 -2.325 25125 13996 1 21 . 1 1 46 46 LYS CA C 46 55.512 55.512 57.031 -1.519 25125 13997 1 21 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.733 2.492 25125 13998 1 21 . 1 1 46 46 LYS H H 46 8.101 8.101 7.422 0.679 25125 13999 1 21 . 1 1 47 47 THR N N 47 111.780 111.780 115.161 -3.381 25125 14000 1 21 . 1 1 47 47 THR HA H 47 4.282 4.282 3.897 0.385 25125 14001 1 21 . 1 1 47 47 THR CA C 47 57.806 57.806 62.469 -4.663 25125 14002 1 21 . 1 1 47 47 THR CB C 47 70.594 70.594 67.930 2.664 25125 14003 1 21 . 1 1 47 47 THR H H 47 7.677 7.677 7.952 -0.275 25125 14004 1 21 . 1 1 48 48 PRO HA H 48 3.905 3.905 4.080 -0.175 25125 14005 1 21 . 1 1 48 48 PRO C C 48 172.966 172.966 175.081 -2.115 25125 14006 1 21 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.474 -1.609 25125 14007 1 21 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.580 -1.303 25125 14008 1 21 . 1 1 49 49 ASP N N 49 115.035 115.035 117.642 -2.607 25125 14009 1 21 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.883 -0.439 25125 14010 1 21 . 1 1 49 49 ASP C C 49 175.634 175.634 175.356 0.278 25125 14011 1 21 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.423 2.024 25125 14012 1 21 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.496 -0.984 25125 14013 1 21 . 1 1 49 49 ASP H H 49 8.502 8.502 8.084 0.418 25125 14014 1 21 . 1 1 50 50 VAL N N 50 112.082 112.082 116.258 -4.176 25125 14015 1 21 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.347 -0.067 25125 14016 1 21 . 1 1 50 50 VAL C C 50 171.454 171.454 172.930 -1.476 25125 14017 1 21 . 1 1 50 50 VAL CA C 50 60.562 60.562 62.190 -1.628 25125 14018 1 21 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.061 0.575 25125 14019 1 21 . 1 1 50 50 VAL H H 50 7.173 7.173 7.095 0.078 25125 14020 1 21 . 1 1 51 51 LEU N N 51 128.247 128.247 126.999 1.248 25125 14021 1 21 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.265 0.054 25125 14022 1 21 . 1 1 51 51 LEU C C 51 173.104 173.104 175.484 -2.380 25125 14023 1 21 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.460 -0.242 25125 14024 1 21 . 1 1 51 51 LEU CB C 51 46.506 46.506 45.571 0.935 25125 14025 1 21 . 1 1 51 51 LEU H H 51 8.059 8.059 8.348 -0.289 25125 14026 1 21 . 1 1 52 52 LEU N N 52 128.407 128.407 120.698 7.709 25125 14027 1 21 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.929 0.572 25125 14028 1 21 . 1 1 52 52 LEU C C 52 175.414 175.414 175.881 -0.467 25125 14029 1 21 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.650 -0.327 25125 14030 1 21 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.271 1.250 25125 14031 1 21 . 1 1 52 52 LEU H H 52 9.242 9.242 8.188 1.054 25125 14032 1 21 . 1 1 53 53 SER N N 53 114.946 114.946 117.269 -2.323 25125 14033 1 21 . 1 1 53 53 SER HA H 53 5.595 5.595 4.510 1.085 25125 14034 1 21 . 1 1 53 53 SER C C 53 174.644 174.644 173.963 0.681 25125 14035 1 21 . 1 1 53 53 SER CA C 53 55.954 55.954 58.653 -2.699 25125 14036 1 21 . 1 1 53 53 SER CB C 53 66.473 66.473 64.718 1.755 25125 14037 1 21 . 1 1 53 53 SER H H 53 8.695 8.695 7.870 0.825 25125 14038 1 21 . 1 1 54 54 ASP N N 54 128.341 128.341 126.988 1.353 25125 14039 1 21 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.852 0.473 25125 14040 1 21 . 1 1 54 54 ASP C C 54 176.816 176.816 176.092 0.724 25125 14041 1 21 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.972 1.521 25125 14042 1 21 . 1 1 54 54 ASP CB C 54 42.328 42.328 41.615 0.713 25125 14043 1 21 . 1 1 54 54 ASP H H 54 7.886 7.886 8.544 -0.658 25125 14044 1 21 . 1 1 55 55 ILE N N 55 121.229 121.229 119.347 1.882 25125 14045 1 21 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.734 0.451 25125 14046 1 21 . 1 1 55 55 ILE C C 55 175.084 175.084 174.038 1.046 25125 14047 1 21 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.359 -0.817 25125 14048 1 21 . 1 1 55 55 ILE CB C 55 39.029 39.029 35.671 3.358 25125 14049 1 21 . 1 1 55 55 ILE H H 55 8.722 8.722 7.479 1.243 25125 14050 1 21 . 1 1 56 56 ARG N N 56 124.188 124.188 127.323 -3.135 25125 14051 1 21 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.547 -0.042 25125 14052 1 21 . 1 1 56 56 ARG C C 56 175.661 175.661 173.412 2.249 25125 14053 1 21 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.870 -0.429 25125 14054 1 21 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.878 -1.516 25125 14055 1 21 . 1 1 56 56 ARG H H 56 8.499 8.499 8.409 0.090 25125 14056 1 21 . 1 1 57 57 MET N N 57 122.581 122.581 120.090 2.491 25125 14057 1 21 . 1 1 57 57 MET HA H 57 4.821 4.821 4.968 -0.147 25125 14058 1 21 . 1 1 57 57 MET CA C 57 53.132 53.132 54.079 -0.947 25125 14059 1 21 . 1 1 57 57 MET CB C 57 33.445 33.445 33.410 0.035 25125 14060 1 21 . 1 1 57 57 MET H H 57 7.956 7.956 7.912 0.044 25125 14061 1 21 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.415 -0.022 25125 14062 1 21 . 1 1 58 58 PRO C C 58 177.806 177.806 177.911 -0.105 25125 14063 1 21 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.357 -0.858 25125 14064 1 21 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.992 -0.185 25125 14065 1 21 . 1 1 59 59 GLY N N 59 111.082 111.082 108.494 2.588 25125 14066 1 21 . 1 1 59 59 GLY C C 59 173.626 173.626 174.347 -0.721 25125 14067 1 21 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.712 0.878 25125 14068 1 21 . 1 1 59 59 GLY H H 59 8.653 8.653 8.322 0.331 25125 14069 1 21 . 1 1 60 60 MET N N 60 120.052 120.052 120.745 -0.693 25125 14070 1 21 . 1 1 60 60 MET HA H 60 4.525 4.525 4.410 0.115 25125 14071 1 21 . 1 1 60 60 MET C C 60 173.956 173.956 176.674 -2.718 25125 14072 1 21 . 1 1 60 60 MET CA C 60 55.047 55.047 55.522 -0.475 25125 14073 1 21 . 1 1 60 60 MET CB C 60 34.506 34.506 33.823 0.683 25125 14074 1 21 . 1 1 60 60 MET H H 60 7.968 7.968 8.355 -0.387 25125 14075 1 21 . 1 1 61 61 ASP N N 61 121.306 121.306 119.993 1.313 25125 14076 1 21 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.486 0.218 25125 14077 1 21 . 1 1 61 61 ASP C C 61 176.761 176.761 177.298 -0.537 25125 14078 1 21 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.723 -1.994 25125 14079 1 21 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.189 -0.120 25125 14080 1 21 . 1 1 61 61 ASP H H 61 8.379 8.379 8.516 -0.137 25125 14081 1 21 . 1 1 62 62 GLY N N 62 110.874 110.874 106.883 3.991 25125 14082 1 21 . 1 1 62 62 GLY C C 62 175.194 175.194 175.371 -0.177 25125 14083 1 21 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.971 1.131 25125 14084 1 21 . 1 1 62 62 GLY H H 62 8.707 8.707 8.196 0.511 25125 14085 1 21 . 1 1 63 63 LEU N N 63 121.299 121.299 121.576 -0.277 25125 14086 1 21 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.644 -0.467 25125 14087 1 21 . 1 1 63 63 LEU C C 63 178.356 178.356 177.975 0.381 25125 14088 1 21 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.513 1.365 25125 14089 1 21 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.407 0.831 25125 14090 1 21 . 1 1 63 63 LEU H H 63 8.045 8.045 7.757 0.288 25125 14091 1 21 . 1 1 64 64 ALA N N 64 122.741 122.741 123.343 -0.602 25125 14092 1 21 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.097 -0.035 25125 14093 1 21 . 1 1 64 64 ALA C C 64 180.556 180.556 178.998 1.558 25125 14094 1 21 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.118 -0.503 25125 14095 1 21 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.114 -0.114 25125 14096 1 21 . 1 1 64 64 ALA H H 64 7.859 7.859 8.246 -0.387 25125 14097 1 21 . 1 1 65 65 LEU N N 65 120.287 120.287 115.350 4.937 25125 14098 1 21 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.444 -0.382 25125 14099 1 21 . 1 1 65 65 LEU C C 65 178.191 178.191 178.872 -0.681 25125 14100 1 21 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.700 1.319 25125 14101 1 21 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.223 -0.985 25125 14102 1 21 . 1 1 65 65 LEU H H 65 8.022 8.022 7.708 0.314 25125 14103 1 21 . 1 1 66 66 LEU N N 66 118.738 118.738 121.993 -3.255 25125 14104 1 21 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.058 -0.200 25125 14105 1 21 . 1 1 66 66 LEU C C 66 178.631 178.631 178.708 -0.077 25125 14106 1 21 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.482 0.864 25125 14107 1 21 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.967 0.271 25125 14108 1 21 . 1 1 66 66 LEU H H 66 8.101 8.101 7.770 0.331 25125 14109 1 21 . 1 1 67 67 LYS N N 67 117.842 117.842 116.693 1.149 25125 14110 1 21 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.007 -0.025 25125 14111 1 21 . 1 1 67 67 LYS C C 67 179.263 179.263 179.522 -0.259 25125 14112 1 21 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.799 0.998 25125 14113 1 21 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.748 0.459 25125 14114 1 21 . 1 1 67 67 LYS H H 67 8.010 8.010 8.269 -0.259 25125 14115 1 21 . 1 1 68 68 GLN N N 68 118.875 118.875 118.517 0.358 25125 14116 1 21 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.206 -0.150 25125 14117 1 21 . 1 1 68 68 GLN C C 68 179.071 179.071 178.067 1.004 25125 14118 1 21 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.569 0.504 25125 14119 1 21 . 1 1 68 68 GLN CB C 68 28.611 28.611 29.074 -0.463 25125 14120 1 21 . 1 1 68 68 GLN H H 68 7.809 7.809 7.977 -0.168 25125 14121 1 21 . 1 1 69 69 ILE N N 69 120.377 120.377 120.271 0.106 25125 14122 1 21 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.945 -0.415 25125 14123 1 21 . 1 1 69 69 ILE C C 69 177.421 177.421 178.853 -1.432 25125 14124 1 21 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.969 0.909 25125 14125 1 21 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.505 0.078 25125 14126 1 21 . 1 1 69 69 ILE H H 69 8.481 8.481 7.842 0.639 25125 14127 1 21 . 1 1 70 70 LYS N N 70 117.873 117.873 119.157 -1.284 25125 14128 1 21 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.049 -0.089 25125 14129 1 21 . 1 1 70 70 LYS C C 70 178.053 178.053 178.554 -0.501 25125 14130 1 21 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.780 -2.692 25125 14131 1 21 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.190 -0.978 25125 14132 1 21 . 1 1 70 70 LYS H H 70 8.220 8.220 7.806 0.414 25125 14133 1 21 . 1 1 71 71 GLN N N 71 116.315 116.315 118.189 -1.874 25125 14134 1 21 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.152 -0.160 25125 14135 1 21 . 1 1 71 71 GLN C C 71 177.366 177.366 178.117 -0.751 25125 14136 1 21 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.355 -0.165 25125 14137 1 21 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.931 -0.266 25125 14138 1 21 . 1 1 71 71 GLN H H 71 7.601 7.601 7.736 -0.135 25125 14139 1 21 . 1 1 72 72 ARG N N 72 116.530 116.530 118.175 -1.645 25125 14140 1 21 . 1 1 72 72 ARG HA H 72 4.030 4.030 3.997 0.033 25125 14141 1 21 . 1 1 72 72 ARG C C 72 175.826 175.826 176.682 -0.856 25125 14142 1 21 . 1 1 72 72 ARG CA C 72 57.222 57.222 58.049 -0.827 25125 14143 1 21 . 1 1 72 72 ARG CB C 72 31.802 31.802 30.777 1.025 25125 14144 1 21 . 1 1 72 72 ARG H H 72 7.301 7.301 8.029 -0.728 25125 14145 1 21 . 1 1 73 73 HIS N N 73 116.755 116.755 115.834 0.921 25125 14146 1 21 . 1 1 73 73 HIS HA H 73 4.960 4.960 5.034 -0.074 25125 14147 1 21 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.247 -0.029 25125 14148 1 21 . 1 1 73 73 HIS CB C 73 30.562 30.562 29.822 0.740 25125 14149 1 21 . 1 1 73 73 HIS H H 73 8.331 8.331 7.936 0.395 25125 14150 1 21 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.479 0.020 25125 14151 1 21 . 1 1 74 74 PRO C C 74 178.466 178.466 177.112 1.354 25125 14152 1 21 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.730 0.383 25125 14153 1 21 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.214 -0.119 25125 14154 1 21 . 1 1 75 75 MET N N 75 114.814 114.814 113.356 1.458 25125 14155 1 21 . 1 1 75 75 MET HA H 75 4.567 4.567 4.761 -0.194 25125 14156 1 21 . 1 1 75 75 MET C C 75 176.046 176.046 175.578 0.468 25125 14157 1 21 . 1 1 75 75 MET CA C 75 54.266 54.266 55.042 -0.776 25125 14158 1 21 . 1 1 75 75 MET CB C 75 31.288 31.288 33.047 -1.760 25125 14159 1 21 . 1 1 75 75 MET H H 75 8.623 8.623 7.699 0.924 25125 14160 1 21 . 1 1 76 76 LEU N N 76 125.533 125.533 125.879 -0.346 25125 14161 1 21 . 1 1 76 76 LEU HA H 76 4.305 4.305 5.149 -0.844 25125 14162 1 21 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.277 1.835 25125 14163 1 21 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.646 0.039 25125 14164 1 21 . 1 1 76 76 LEU H H 76 7.337 7.337 7.361 -0.024 25125 14165 1 21 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.406 0.040 25125 14166 1 21 . 1 1 77 77 PRO C C 77 174.974 174.974 175.414 -0.440 25125 14167 1 21 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.297 0.530 25125 14168 1 21 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.083 -0.361 25125 14169 1 21 . 1 1 78 78 VAL N N 78 123.779 123.779 121.897 1.882 25125 14170 1 21 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.343 0.681 25125 14171 1 21 . 1 1 78 78 VAL C C 78 175.441 175.441 175.240 0.201 25125 14172 1 21 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.870 -0.677 25125 14173 1 21 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.219 -0.925 25125 14174 1 21 . 1 1 78 78 VAL H H 78 8.317 8.317 8.165 0.152 25125 14175 1 21 . 1 1 79 79 ILE N N 79 128.334 128.334 121.133 7.201 25125 14176 1 21 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.741 -0.260 25125 14177 1 21 . 1 1 79 79 ILE C C 79 174.479 174.479 174.949 -0.470 25125 14178 1 21 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.248 -0.726 25125 14179 1 21 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.987 -2.024 25125 14180 1 21 . 1 1 79 79 ILE H H 79 9.292 9.292 8.012 1.280 25125 14181 1 21 . 1 1 80 80 ILE N N 80 127.023 127.023 126.273 0.750 25125 14182 1 21 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.321 0.538 25125 14183 1 21 . 1 1 80 80 ILE C C 80 175.029 175.029 174.791 0.238 25125 14184 1 21 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.899 -1.742 25125 14185 1 21 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.493 -1.549 25125 14186 1 21 . 1 1 80 80 ILE H H 80 7.938 7.938 8.854 -0.916 25125 14187 1 21 . 1 1 81 81 MET N N 81 127.255 127.255 125.111 2.144 25125 14188 1 21 . 1 1 81 81 MET HA H 81 5.521 5.521 5.596 -0.075 25125 14189 1 21 . 1 1 81 81 MET C C 81 174.534 174.534 175.409 -0.875 25125 14190 1 21 . 1 1 81 81 MET CA C 81 53.513 53.513 54.984 -1.471 25125 14191 1 21 . 1 1 81 81 MET CB C 81 35.483 35.483 35.616 -0.133 25125 14192 1 21 . 1 1 81 81 MET H H 81 8.801 8.801 8.438 0.363 25125 14193 1 21 . 1 1 82 82 THR N N 82 112.857 112.857 117.832 -4.975 25125 14194 1 21 . 1 1 82 82 THR HA H 82 4.914 4.914 4.491 0.423 25125 14195 1 21 . 1 1 82 82 THR C C 82 172.581 172.581 173.274 -0.693 25125 14196 1 21 . 1 1 82 82 THR CA C 82 59.561 59.561 62.965 -3.405 25125 14197 1 21 . 1 1 82 82 THR CB C 82 69.989 69.989 69.471 0.518 25125 14198 1 21 . 1 1 82 82 THR H H 82 7.623 7.623 8.232 -0.609 25125 14199 1 21 . 1 1 83 83 ALA N N 83 129.541 129.541 125.279 4.262 25125 14200 1 21 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.992 0.716 25125 14201 1 21 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.817 -1.279 25125 14202 1 21 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.878 2.269 25125 14203 1 21 . 1 1 83 83 ALA H H 83 9.149 9.149 8.267 0.882 25125 14204 1 21 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.569 -0.297 25125 14205 1 21 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.954 3.746 25125 14206 1 21 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.811 -0.793 25125 14207 1 21 . 1 1 85 85 SER N N 85 112.633 112.633 114.791 -2.158 25125 14208 1 21 . 1 1 85 85 SER HA H 85 4.198 4.198 4.465 -0.267 25125 14209 1 21 . 1 1 85 85 SER C C 85 174.506 174.506 173.650 0.856 25125 14210 1 21 . 1 1 85 85 SER CA C 85 59.823 59.823 58.719 1.103 25125 14211 1 21 . 1 1 85 85 SER CB C 85 62.693 62.693 64.886 -2.193 25125 14212 1 21 . 1 1 85 85 SER H H 85 8.224 8.224 7.353 0.871 25125 14213 1 21 . 1 1 86 86 ASP N N 86 120.886 120.886 120.799 0.087 25125 14214 1 21 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.670 0.266 25125 14215 1 21 . 1 1 86 86 ASP C C 86 175.881 175.881 176.205 -0.324 25125 14216 1 21 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.769 -0.835 25125 14217 1 21 . 1 1 86 86 ASP CB C 86 42.003 42.003 42.204 -0.201 25125 14218 1 21 . 1 1 86 86 ASP H H 86 7.608 7.608 8.021 -0.413 25125 14219 1 21 . 1 1 87 87 LEU N N 87 121.913 121.913 120.736 1.177 25125 14220 1 21 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.566 0.353 25125 14221 1 21 . 1 1 87 87 LEU C C 87 177.586 177.586 177.905 -0.319 25125 14222 1 21 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.647 -0.810 25125 14223 1 21 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.468 0.847 25125 14224 1 21 . 1 1 87 87 LEU H H 87 7.498 7.498 8.123 -0.625 25125 14225 1 21 . 1 1 88 88 ASP N N 88 117.621 117.621 117.531 0.090 25125 14226 1 21 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.190 0.082 25125 14227 1 21 . 1 1 88 88 ASP C C 88 178.246 178.246 177.277 0.969 25125 14228 1 21 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.261 -0.451 25125 14229 1 21 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.408 -0.274 25125 14230 1 21 . 1 1 88 88 ASP H H 88 8.322 8.322 8.469 -0.147 25125 14231 1 21 . 1 1 89 89 ALA N N 89 122.874 122.874 121.024 1.850 25125 14232 1 21 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.343 -0.249 25125 14233 1 21 . 1 1 89 89 ALA C C 89 179.346 179.346 179.415 -0.069 25125 14234 1 21 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.305 -0.152 25125 14235 1 21 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.833 -0.572 25125 14236 1 21 . 1 1 89 89 ALA H H 89 7.838 7.838 7.569 0.269 25125 14237 1 21 . 1 1 90 90 ALA N N 90 121.673 121.673 121.921 -0.248 25125 14238 1 21 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.035 -0.102 25125 14239 1 21 . 1 1 90 90 ALA C C 90 178.686 178.686 179.651 -0.965 25125 14240 1 21 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.087 -0.424 25125 14241 1 21 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.194 0.188 25125 14242 1 21 . 1 1 90 90 ALA H H 90 7.896 7.896 8.293 -0.397 25125 14243 1 21 . 1 1 91 91 VAL N N 91 117.749 117.749 117.207 0.542 25125 14244 1 21 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.980 -0.368 25125 14245 1 21 . 1 1 91 91 VAL C C 91 178.411 178.411 177.484 0.927 25125 14246 1 21 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.637 -1.456 25125 14247 1 21 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.673 -0.036 25125 14248 1 21 . 1 1 91 91 VAL H H 91 8.098 8.098 8.680 -0.582 25125 14249 1 21 . 1 1 92 92 SER N N 92 114.942 114.942 114.227 0.715 25125 14250 1 21 . 1 1 92 92 SER HA H 92 4.231 4.231 4.481 -0.250 25125 14251 1 21 . 1 1 92 92 SER C C 92 175.826 175.826 175.631 0.195 25125 14252 1 21 . 1 1 92 92 SER CA C 92 60.649 60.649 59.999 0.650 25125 14253 1 21 . 1 1 92 92 SER CB C 92 63.063 63.063 64.345 -1.282 25125 14254 1 21 . 1 1 92 92 SER H H 92 7.825 7.825 7.801 0.024 25125 14255 1 21 . 1 1 93 93 ALA N N 93 122.580 122.580 123.467 -0.887 25125 14256 1 21 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.245 -0.188 25125 14257 1 21 . 1 1 93 93 ALA C C 93 178.906 178.906 179.533 -0.627 25125 14258 1 21 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.583 -0.266 25125 14259 1 21 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.643 -0.346 25125 14260 1 21 . 1 1 93 93 ALA H H 93 7.861 7.861 8.462 -0.601 25125 14261 1 21 . 1 1 94 94 TYR N N 94 118.447 118.447 120.745 -2.298 25125 14262 1 21 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.261 0.231 25125 14263 1 21 . 1 1 94 94 TYR C C 94 177.393 177.393 177.496 -0.103 25125 14264 1 21 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.005 -0.754 25125 14265 1 21 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.340 0.094 25125 14266 1 21 . 1 1 94 94 TYR H H 94 8.150 8.150 7.756 0.394 25125 14267 1 21 . 1 1 95 95 GLN N N 95 119.787 119.787 115.744 4.043 25125 14268 1 21 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.040 0.003 25125 14269 1 21 . 1 1 95 95 GLN C C 95 176.981 176.981 176.556 0.425 25125 14270 1 21 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.923 0.543 25125 14271 1 21 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.791 0.298 25125 14272 1 21 . 1 1 95 95 GLN H H 95 8.271 8.271 7.868 0.403 25125 14273 1 21 . 1 1 96 96 GLN N N 96 117.878 117.878 119.329 -1.451 25125 14274 1 21 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.279 0.066 25125 14275 1 21 . 1 1 96 96 GLN C C 96 175.854 175.854 175.841 0.013 25125 14276 1 21 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.757 0.414 25125 14277 1 21 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.460 0.015 25125 14278 1 21 . 1 1 96 96 GLN H H 96 7.944 7.944 7.754 0.190 25125 14279 1 21 . 1 1 97 97 GLY N N 97 106.670 106.670 105.002 1.668 25125 14280 1 21 . 1 1 97 97 GLY C C 97 174.231 174.231 173.090 1.141 25125 14281 1 21 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.839 0.647 25125 14282 1 21 . 1 1 97 97 GLY H H 97 7.949 7.949 8.165 -0.216 25125 14283 1 21 . 1 1 98 98 ALA N N 98 122.898 122.898 121.079 1.819 25125 14284 1 21 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.389 -0.014 25125 14285 1 21 . 1 1 98 98 ALA C C 98 175.991 175.991 175.509 0.482 25125 14286 1 21 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.177 1.991 25125 14287 1 21 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.369 -1.399 25125 14288 1 21 . 1 1 98 98 ALA H H 98 7.808 7.808 7.128 0.680 25125 14289 1 21 . 1 1 99 99 PHE N N 99 123.484 123.484 119.168 4.316 25125 14290 1 21 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.440 -0.090 25125 14291 1 21 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.366 2.090 25125 14292 1 21 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.155 -0.715 25125 14293 1 21 . 1 1 99 99 PHE H H 99 7.704 7.704 8.147 -0.443 25125 14294 1 21 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.874 0.630 25125 14295 1 21 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.620 -1.138 25125 14296 1 21 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.308 3.892 25125 14297 1 21 . 1 1 101 101 TYR N N 101 118.148 118.148 121.791 -3.643 25125 14298 1 21 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.434 1.014 25125 14299 1 21 . 1 1 101 101 TYR C C 101 173.159 173.159 174.119 -0.960 25125 14300 1 21 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.150 -0.163 25125 14301 1 21 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.267 2.631 25125 14302 1 21 . 1 1 101 101 TYR H H 101 9.546 9.546 7.373 2.173 25125 14303 1 21 . 1 1 102 102 LEU N N 102 124.100 124.100 120.626 3.474 25125 14304 1 21 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.079 -0.359 25125 14305 1 21 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.264 -0.765 25125 14306 1 21 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.318 -0.257 25125 14307 1 21 . 1 1 102 102 LEU H H 102 8.901 8.901 8.636 0.265 25125 14308 1 21 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.655 0.238 25125 14309 1 21 . 1 1 103 103 PRO C C 103 175.524 175.524 175.794 -0.270 25125 14310 1 21 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.299 -0.414 25125 14311 1 21 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.268 -0.461 25125 14312 1 21 . 1 1 104 104 LYS N N 104 118.848 118.848 120.901 -2.053 25125 14313 1 21 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.869 -0.356 25125 14314 1 21 . 1 1 104 104 LYS CA C 104 53.218 53.218 54.082 -0.864 25125 14315 1 21 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.913 0.831 25125 14316 1 21 . 1 1 104 104 LYS H H 104 8.279 8.279 8.133 0.146 25125 14317 1 21 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.520 -0.221 25125 14318 1 21 . 1 1 105 105 PRO C C 105 175.001 175.001 175.311 -0.310 25125 14319 1 21 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.775 -0.381 25125 14320 1 21 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.091 2.004 25125 14321 1 21 . 1 1 106 106 PHE N N 106 116.607 116.607 114.498 2.109 25125 14322 1 21 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.787 0.383 25125 14323 1 21 . 1 1 106 106 PHE C C 106 175.221 175.221 174.257 0.964 25125 14324 1 21 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.983 -2.548 25125 14325 1 21 . 1 1 106 106 PHE CB C 106 40.400 40.400 39.885 0.515 25125 14326 1 21 . 1 1 106 106 PHE H H 106 7.457 7.457 7.354 0.103 25125 14327 1 21 . 1 1 107 107 ASP N N 107 122.214 122.214 122.055 0.159 25125 14328 1 21 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.084 -0.252 25125 14329 1 21 . 1 1 107 107 ASP C C 107 177.778 177.778 177.446 0.332 25125 14330 1 21 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.629 -0.387 25125 14331 1 21 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.300 1.296 25125 14332 1 21 . 1 1 107 107 ASP H H 107 9.022 9.022 8.819 0.203 25125 14333 1 21 . 1 1 108 108 ILE N N 108 127.706 127.706 125.232 2.474 25125 14334 1 21 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.744 0.221 25125 14335 1 21 . 1 1 108 108 ILE C C 108 176.046 176.046 177.500 -1.454 25125 14336 1 21 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.790 -1.801 25125 14337 1 21 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.119 -0.365 25125 14338 1 21 . 1 1 108 108 ILE H H 108 8.860 8.860 8.781 0.079 25125 14339 1 21 . 1 1 109 109 ASP N N 109 120.058 120.058 119.192 0.866 25125 14340 1 21 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.370 0.018 25125 14341 1 21 . 1 1 109 109 ASP C C 109 179.786 179.786 178.758 1.028 25125 14342 1 21 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.675 -0.181 25125 14343 1 21 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.589 -0.535 25125 14344 1 21 . 1 1 109 109 ASP H H 109 8.079 8.079 8.654 -0.575 25125 14345 1 21 . 1 1 110 110 GLU N N 110 121.559 121.559 119.411 2.148 25125 14346 1 21 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.188 -0.120 25125 14347 1 21 . 1 1 110 110 GLU C C 110 179.043 179.043 178.526 0.517 25125 14348 1 21 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.391 0.435 25125 14349 1 21 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.979 -0.636 25125 14350 1 21 . 1 1 110 110 GLU H H 110 8.012 8.012 8.004 0.008 25125 14351 1 21 . 1 1 111 111 ALA N N 111 122.267 122.267 123.638 -1.371 25125 14352 1 21 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.988 -0.234 25125 14353 1 21 . 1 1 111 111 ALA C C 111 178.493 178.493 179.400 -0.907 25125 14354 1 21 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.364 -0.192 25125 14355 1 21 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.152 0.230 25125 14356 1 21 . 1 1 111 111 ALA H H 111 7.897 7.897 8.331 -0.434 25125 14357 1 21 . 1 1 112 112 VAL N N 112 116.527 116.527 117.640 -1.113 25125 14358 1 21 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.581 -0.414 25125 14359 1 21 . 1 1 112 112 VAL C C 112 177.201 177.201 177.976 -0.775 25125 14360 1 21 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.746 0.399 25125 14361 1 21 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.182 0.370 25125 14362 1 21 . 1 1 112 112 VAL H H 112 8.018 8.018 8.302 -0.284 25125 14363 1 21 . 1 1 113 113 ALA N N 113 119.895 119.895 121.181 -1.286 25125 14364 1 21 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.436 -0.298 25125 14365 1 21 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.005 0.827 25125 14366 1 21 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.952 -1.080 25125 14367 1 21 . 1 1 113 113 ALA H H 113 7.673 7.673 7.400 0.273 25125 14368 1 21 . 1 1 114 114 LEU N N 114 120.650 120.650 120.973 -0.323 25125 14369 1 21 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.112 -0.029 25125 14370 1 21 . 1 1 114 114 LEU C C 114 178.466 178.466 178.512 -0.046 25125 14371 1 21 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.797 0.223 25125 14372 1 21 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.015 -0.182 25125 14373 1 21 . 1 1 114 114 LEU H H 114 7.840 7.840 7.723 0.117 25125 14374 1 21 . 1 1 115 115 VAL N N 115 119.480 119.480 118.606 0.874 25125 14375 1 21 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.475 -0.263 25125 14376 1 21 . 1 1 115 115 VAL C C 115 177.448 177.448 177.235 0.213 25125 14377 1 21 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.725 1.476 25125 14378 1 21 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.359 -0.687 25125 14379 1 21 . 1 1 115 115 VAL H H 115 7.824 7.824 7.983 -0.159 25125 14380 1 21 . 1 1 116 116 GLU N N 116 117.473 117.473 118.695 -1.222 25125 14381 1 21 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.889 -0.100 25125 14382 1 21 . 1 1 116 116 GLU C C 116 179.566 179.566 178.723 0.843 25125 14383 1 21 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.828 0.102 25125 14384 1 21 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.349 -0.253 25125 14385 1 21 . 1 1 116 116 GLU H H 116 8.465 8.465 7.678 0.787 25125 14386 1 21 . 1 1 117 117 ARG N N 117 120.128 120.128 118.084 2.044 25125 14387 1 21 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.051 0.013 25125 14388 1 21 . 1 1 117 117 ARG C C 117 178.438 178.438 178.270 0.168 25125 14389 1 21 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.702 0.576 25125 14390 1 21 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.843 0.434 25125 14391 1 21 . 1 1 117 117 ARG H H 117 8.012 8.012 7.524 0.488 25125 14392 1 21 . 1 1 118 118 ALA N N 118 122.270 122.270 121.572 0.698 25125 14393 1 21 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.721 -0.265 25125 14394 1 21 . 1 1 118 118 ALA C C 118 178.741 178.741 179.032 -0.291 25125 14395 1 21 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.305 0.273 25125 14396 1 21 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.092 0.066 25125 14397 1 21 . 1 1 118 118 ALA H H 118 7.958 7.958 7.355 0.603 25125 14398 1 21 . 1 1 119 119 ILE N N 119 115.269 115.269 117.585 -2.316 25125 14399 1 21 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.805 -0.077 25125 14400 1 21 . 1 1 119 119 ILE C C 119 177.366 177.366 178.639 -1.273 25125 14401 1 21 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.536 -0.867 25125 14402 1 21 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.368 -0.570 25125 14403 1 21 . 1 1 119 119 ILE H H 119 7.753 7.753 7.776 -0.023 25125 14404 1 21 . 1 1 120 120 SER N N 120 115.135 115.135 116.220 -1.085 25125 14405 1 21 . 1 1 120 120 SER HA H 120 4.275 4.275 4.330 -0.055 25125 14406 1 21 . 1 1 120 120 SER C C 120 175.084 175.084 175.789 -0.705 25125 14407 1 21 . 1 1 120 120 SER CA C 120 59.816 59.816 61.679 -1.863 25125 14408 1 21 . 1 1 120 120 SER CB C 120 63.380 63.380 63.071 0.309 25125 14409 1 21 . 1 1 120 120 SER H H 120 7.816 7.816 8.454 -0.638 25125 14410 1 21 . 1 1 121 121 HIS N N 121 119.908 119.908 120.813 -0.905 25125 14411 1 21 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.155 0.267 25125 14412 1 21 . 1 1 121 121 HIS C C 121 175.029 175.029 176.323 -1.294 25125 14413 1 21 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.284 -2.048 25125 14414 1 21 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.732 -0.304 25125 14415 1 21 . 1 1 121 121 HIS H H 121 7.910 7.910 7.655 0.255 25125 14416 1 21 . 1 1 122 122 TYR N N 122 118.880 118.880 118.681 0.199 25125 14417 1 21 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.275 0.151 25125 14418 1 21 . 1 1 122 122 TYR C C 122 175.276 175.276 177.635 -2.359 25125 14419 1 21 . 1 1 122 122 TYR CA C 122 58.449 58.449 60.435 -1.986 25125 14420 1 21 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.175 0.429 25125 14421 1 21 . 1 1 122 122 TYR H H 122 7.766 7.766 7.587 0.179 25125 14422 1 21 . 1 1 123 123 GLN N N 123 121.479 121.479 117.673 3.806 25125 14423 1 21 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.139 0.131 25125 14424 1 21 . 1 1 123 123 GLN C C 123 174.534 174.534 176.260 -1.726 25125 14425 1 21 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.082 -1.570 25125 14426 1 21 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.184 0.584 25125 14427 1 21 . 1 1 123 123 GLN H H 123 7.878 7.878 8.319 -0.441 25125 14428 1 22 . 1 1 2 2 GLN HA H 2 4.433 4.433 3.881 0.552 25125 14429 1 22 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.682 -1.118 25125 14430 1 22 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.274 2.326 25125 14431 1 22 . 1 1 3 3 ARG N N 3 121.252 121.252 116.825 4.427 25125 14432 1 22 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.132 0.233 25125 14433 1 22 . 1 1 3 3 ARG C C 3 175.634 175.634 175.498 0.136 25125 14434 1 22 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.780 -0.789 25125 14435 1 22 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.202 1.095 25125 14436 1 22 . 1 1 3 3 ARG H H 3 8.429 8.429 8.191 0.238 25125 14437 1 22 . 1 1 4 4 GLY N N 4 107.663 107.663 106.697 0.966 25125 14438 1 22 . 1 1 4 4 GLY C C 4 171.041 171.041 173.372 -2.331 25125 14439 1 22 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.326 0.990 25125 14440 1 22 . 1 1 4 4 GLY H H 4 7.963 7.963 7.597 0.366 25125 14441 1 22 . 1 1 5 5 ILE N N 5 122.603 122.603 125.756 -3.153 25125 14442 1 22 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.091 0.608 25125 14443 1 22 . 1 1 5 5 ILE C C 5 175.359 175.359 174.784 0.575 25125 14444 1 22 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.768 -1.158 25125 14445 1 22 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.028 0.548 25125 14446 1 22 . 1 1 5 5 ILE H H 5 9.610 9.610 8.013 1.597 25125 14447 1 22 . 1 1 6 6 VAL N N 6 127.905 127.905 126.853 1.052 25125 14448 1 22 . 1 1 6 6 VAL HA H 6 4.812 4.812 5.025 -0.213 25125 14449 1 22 . 1 1 6 6 VAL C C 6 174.204 174.204 175.591 -1.387 25125 14450 1 22 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.148 -0.589 25125 14451 1 22 . 1 1 6 6 VAL CB C 6 34.526 34.526 32.701 1.825 25125 14452 1 22 . 1 1 6 6 VAL H H 6 9.090 9.090 7.904 1.186 25125 14453 1 22 . 1 1 7 7 TRP N N 7 127.467 127.467 128.595 -1.128 25125 14454 1 22 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.087 1.367 25125 14455 1 22 . 1 1 7 7 TRP C C 7 175.056 175.056 175.219 -0.163 25125 14456 1 22 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.750 -1.872 25125 14457 1 22 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.956 2.178 25125 14458 1 22 . 1 1 7 7 TRP H H 7 8.497 8.497 8.270 0.227 25125 14459 1 22 . 1 1 8 8 VAL N N 8 122.068 122.068 120.739 1.329 25125 14460 1 22 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.397 0.689 25125 14461 1 22 . 1 1 8 8 VAL C C 8 173.874 173.874 173.956 -0.082 25125 14462 1 22 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.661 -1.175 25125 14463 1 22 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.505 1.210 25125 14464 1 22 . 1 1 8 8 VAL H H 8 8.583 8.583 9.122 -0.539 25125 14465 1 22 . 1 1 9 9 VAL N N 9 127.733 127.733 125.209 2.524 25125 14466 1 22 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.569 0.392 25125 14467 1 22 . 1 1 9 9 VAL C C 9 173.131 173.131 173.190 -0.059 25125 14468 1 22 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.540 -0.865 25125 14469 1 22 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.367 -1.456 25125 14470 1 22 . 1 1 9 9 VAL H H 9 9.107 9.107 8.334 0.773 25125 14471 1 22 . 1 1 10 10 ASP N N 10 124.306 124.306 126.969 -2.663 25125 14472 1 22 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.823 -0.254 25125 14473 1 22 . 1 1 10 10 ASP C C 10 175.029 175.029 174.016 1.013 25125 14474 1 22 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.469 1.278 25125 14475 1 22 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.975 1.134 25125 14476 1 22 . 1 1 10 10 ASP H H 10 7.775 7.775 8.270 -0.495 25125 14477 1 22 . 1 1 11 11 ASP N N 11 126.714 126.714 117.138 9.576 25125 14478 1 22 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.750 -0.215 25125 14479 1 22 . 1 1 11 11 ASP C C 11 175.689 175.689 175.177 0.512 25125 14480 1 22 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.175 2.543 25125 14481 1 22 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.463 -0.389 25125 14482 1 22 . 1 1 11 11 ASP H H 11 9.033 9.033 8.481 0.552 25125 14483 1 22 . 1 1 12 12 ASP N N 12 121.877 121.877 119.277 2.600 25125 14484 1 22 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.889 -0.243 25125 14485 1 22 . 1 1 12 12 ASP C C 12 177.036 177.036 176.929 0.107 25125 14486 1 22 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.586 -0.283 25125 14487 1 22 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.295 -2.131 25125 14488 1 22 . 1 1 12 12 ASP H H 12 9.570 9.570 8.012 1.558 25125 14489 1 22 . 1 1 13 13 SER N N 13 123.799 123.799 117.869 5.930 25125 14490 1 22 . 1 1 13 13 SER HA H 13 3.761 3.761 4.318 -0.557 25125 14491 1 22 . 1 1 13 13 SER C C 13 176.156 176.156 176.166 -0.010 25125 14492 1 22 . 1 1 13 13 SER CA C 13 61.186 61.186 60.869 0.317 25125 14493 1 22 . 1 1 13 13 SER CB C 13 62.749 62.749 63.254 -0.505 25125 14494 1 22 . 1 1 13 13 SER H H 13 8.850 8.850 8.747 0.103 25125 14495 1 22 . 1 1 14 14 SER N N 14 119.123 119.123 119.367 -0.244 25125 14496 1 22 . 1 1 14 14 SER HA H 14 4.361 4.361 4.382 -0.021 25125 14497 1 22 . 1 1 14 14 SER C C 14 176.404 176.404 176.469 -0.065 25125 14498 1 22 . 1 1 14 14 SER CA C 14 61.730 61.730 61.100 0.630 25125 14499 1 22 . 1 1 14 14 SER CB C 14 62.548 62.548 62.668 -0.120 25125 14500 1 22 . 1 1 14 14 SER H H 14 8.531 8.531 8.593 -0.062 25125 14501 1 22 . 1 1 15 15 ILE N N 15 123.637 123.637 121.160 2.477 25125 14502 1 22 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.835 0.110 25125 14503 1 22 . 1 1 15 15 ILE C C 15 177.861 177.861 177.998 -0.137 25125 14504 1 22 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.853 -2.653 25125 14505 1 22 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.874 -0.988 25125 14506 1 22 . 1 1 15 15 ILE H H 15 7.206 7.206 8.379 -1.173 25125 14507 1 22 . 1 1 16 16 ARG N N 16 116.694 116.694 117.855 -1.161 25125 14508 1 22 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.257 -0.534 25125 14509 1 22 . 1 1 16 16 ARG C C 16 177.448 177.448 178.145 -0.697 25125 14510 1 22 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.876 2.697 25125 14511 1 22 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.052 0.395 25125 14512 1 22 . 1 1 16 16 ARG H H 16 7.562 7.562 7.601 -0.039 25125 14513 1 22 . 1 1 17 17 TRP N N 17 116.848 116.848 122.854 -6.006 25125 14514 1 22 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.404 0.067 25125 14515 1 22 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.524 -0.084 25125 14516 1 22 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.702 -0.410 25125 14517 1 22 . 1 1 17 17 TRP H H 17 8.005 8.005 7.437 0.568 25125 14518 1 22 . 1 1 18 18 VAL N N 18 116.964 116.964 116.325 0.639 25125 14519 1 22 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.821 0.854 25125 14520 1 22 . 1 1 18 18 VAL C C 18 179.181 179.181 177.157 2.024 25125 14521 1 22 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.649 0.059 25125 14522 1 22 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.247 0.390 25125 14523 1 22 . 1 1 18 18 VAL H H 18 8.110 8.110 8.515 -0.405 25125 14524 1 22 . 1 1 19 19 LEU N N 19 120.186 120.186 118.568 1.618 25125 14525 1 22 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.239 -0.164 25125 14526 1 22 . 1 1 19 19 LEU C C 19 177.778 177.778 178.789 -1.011 25125 14527 1 22 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.936 0.886 25125 14528 1 22 . 1 1 19 19 LEU CB C 19 41.781 41.781 42.041 -0.260 25125 14529 1 22 . 1 1 19 19 LEU H H 19 8.073 8.073 7.560 0.513 25125 14530 1 22 . 1 1 20 20 GLU N N 20 120.193 120.193 120.691 -0.498 25125 14531 1 22 . 1 1 20 20 GLU HA H 20 3.941 3.941 3.936 0.005 25125 14532 1 22 . 1 1 20 20 GLU C C 20 178.603 178.603 178.937 -0.334 25125 14533 1 22 . 1 1 20 20 GLU CA C 20 60.610 60.610 60.085 0.525 25125 14534 1 22 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.758 -0.670 25125 14535 1 22 . 1 1 20 20 GLU H H 20 8.387 8.387 7.973 0.414 25125 14536 1 22 . 1 1 21 21 ARG N N 21 116.076 116.076 117.090 -1.014 25125 14537 1 22 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.964 -0.071 25125 14538 1 22 . 1 1 21 21 ARG C C 21 179.676 179.676 178.174 1.502 25125 14539 1 22 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.843 -0.394 25125 14540 1 22 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.185 0.668 25125 14541 1 22 . 1 1 21 21 ARG H H 21 7.602 7.602 8.355 -0.753 25125 14542 1 22 . 1 1 22 22 ALA N N 22 122.405 122.405 122.905 -0.500 25125 14543 1 22 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.098 -0.001 25125 14544 1 22 . 1 1 22 22 ALA C C 22 180.501 180.501 178.533 1.968 25125 14545 1 22 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.305 0.273 25125 14546 1 22 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.123 1.109 25125 14547 1 22 . 1 1 22 22 ALA H H 22 7.992 7.992 7.386 0.606 25125 14548 1 22 . 1 1 23 23 LEU N N 23 118.026 118.026 117.402 0.624 25125 14549 1 22 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.116 -0.115 25125 14550 1 22 . 1 1 23 23 LEU C C 23 178.878 178.878 179.059 -0.181 25125 14551 1 22 . 1 1 23 23 LEU CA C 23 57.721 57.721 57.069 0.652 25125 14552 1 22 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.906 -2.251 25125 14553 1 22 . 1 1 23 23 LEU H H 23 8.825 8.825 7.501 1.324 25125 14554 1 22 . 1 1 24 24 ALA N N 24 122.159 122.159 121.553 0.606 25125 14555 1 22 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.964 0.669 25125 14556 1 22 . 1 1 24 24 ALA C C 24 183.141 183.141 179.553 3.588 25125 14557 1 22 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.884 -0.137 25125 14558 1 22 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.357 -0.655 25125 14559 1 22 . 1 1 24 24 ALA H H 24 8.125 8.125 7.974 0.151 25125 14560 1 22 . 1 1 25 25 GLY N N 25 106.891 106.891 103.849 3.042 25125 14561 1 22 . 1 1 25 25 GLY C C 25 174.286 174.286 174.575 -0.289 25125 14562 1 22 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.134 1.287 25125 14563 1 22 . 1 1 25 25 GLY H H 25 7.870 7.870 7.739 0.131 25125 14564 1 22 . 1 1 26 26 ALA N N 26 121.819 121.819 123.785 -1.966 25125 14565 1 22 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.373 0.126 25125 14566 1 22 . 1 1 26 26 ALA C C 26 176.953 176.953 177.578 -0.625 25125 14567 1 22 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.080 -0.561 25125 14568 1 22 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.492 -1.770 25125 14569 1 22 . 1 1 26 26 ALA H H 26 7.285 7.285 7.492 -0.207 25125 14570 1 22 . 1 1 27 27 GLY N N 27 106.197 106.197 106.943 -0.746 25125 14571 1 22 . 1 1 27 27 GLY C C 27 173.956 173.956 174.058 -0.102 25125 14572 1 22 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.899 0.417 25125 14573 1 22 . 1 1 27 27 GLY H H 27 7.824 7.824 8.054 -0.230 25125 14574 1 22 . 1 1 28 28 LEU N N 28 120.291 120.291 119.120 1.171 25125 14575 1 22 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.728 -0.153 25125 14576 1 22 . 1 1 28 28 LEU C C 28 175.881 175.881 176.520 -0.639 25125 14577 1 22 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.973 0.670 25125 14578 1 22 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.278 -1.793 25125 14579 1 22 . 1 1 28 28 LEU H H 28 7.678 7.678 7.599 0.079 25125 14580 1 22 . 1 1 29 29 THR N N 29 118.040 118.040 116.722 1.318 25125 14581 1 22 . 1 1 29 29 THR HA H 29 4.335 4.335 4.186 0.149 25125 14582 1 22 . 1 1 29 29 THR C C 29 173.186 173.186 174.019 -0.833 25125 14583 1 22 . 1 1 29 29 THR CA C 29 62.479 62.479 64.309 -1.830 25125 14584 1 22 . 1 1 29 29 THR CB C 29 69.465 69.465 69.509 -0.044 25125 14585 1 22 . 1 1 29 29 THR H H 29 8.527 8.527 8.501 0.026 25125 14586 1 22 . 1 1 30 30 CYS N N 30 128.387 128.387 118.746 9.641 25125 14587 1 22 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.496 0.447 25125 14588 1 22 . 1 1 30 30 CYS C C 30 173.846 173.846 173.906 -0.060 25125 14589 1 22 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.453 -0.091 25125 14590 1 22 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.249 -1.769 25125 14591 1 22 . 1 1 30 30 CYS H H 30 8.968 8.968 8.354 0.614 25125 14592 1 22 . 1 1 31 31 THR N N 31 126.481 126.481 122.563 3.918 25125 14593 1 22 . 1 1 31 31 THR HA H 31 4.433 4.433 4.428 0.005 25125 14594 1 22 . 1 1 31 31 THR C C 31 172.609 172.609 173.578 -0.969 25125 14595 1 22 . 1 1 31 31 THR CA C 31 61.951 61.951 62.029 -0.078 25125 14596 1 22 . 1 1 31 31 THR CB C 31 70.567 70.567 70.307 0.260 25125 14597 1 22 . 1 1 31 31 THR H H 31 8.614 8.614 8.523 0.091 25125 14598 1 22 . 1 1 32 32 THR N N 32 116.418 116.418 118.893 -2.475 25125 14599 1 22 . 1 1 32 32 THR HA H 32 5.330 5.330 5.147 0.183 25125 14600 1 22 . 1 1 32 32 THR C C 32 172.306 172.306 173.439 -1.133 25125 14601 1 22 . 1 1 32 32 THR CA C 32 59.173 59.173 60.203 -1.030 25125 14602 1 22 . 1 1 32 32 THR CB C 32 70.917 70.917 70.414 0.503 25125 14603 1 22 . 1 1 32 32 THR H H 32 8.299 8.299 8.232 0.067 25125 14604 1 22 . 1 1 33 33 PHE N N 33 118.067 118.067 126.692 -8.625 25125 14605 1 22 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.460 0.183 25125 14606 1 22 . 1 1 33 33 PHE C C 33 174.341 174.341 175.140 -0.799 25125 14607 1 22 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.525 -1.993 25125 14608 1 22 . 1 1 33 33 PHE CB C 33 43.309 43.309 40.264 3.045 25125 14609 1 22 . 1 1 33 33 PHE H H 33 8.890 8.890 8.240 0.650 25125 14610 1 22 . 1 1 34 34 GLU N N 34 118.499 118.499 112.416 6.083 25125 14611 1 22 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.549 -0.195 25125 14612 1 22 . 1 1 34 34 GLU C C 34 175.414 175.414 175.011 0.403 25125 14613 1 22 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.299 0.393 25125 14614 1 22 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.327 1.140 25125 14615 1 22 . 1 1 34 34 GLU H H 34 9.023 9.023 8.491 0.532 25125 14616 1 22 . 1 1 35 35 ASN N N 35 109.907 109.907 119.229 -9.322 25125 14617 1 22 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.973 -0.192 25125 14618 1 22 . 1 1 35 35 ASN C C 35 175.139 175.139 176.767 -1.628 25125 14619 1 22 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.290 -0.144 25125 14620 1 22 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.202 1.121 25125 14621 1 22 . 1 1 35 35 ASN H H 35 7.401 7.401 7.800 -0.399 25125 14622 1 22 . 1 1 36 36 GLY N N 36 106.739 106.739 113.648 -6.909 25125 14623 1 22 . 1 1 36 36 GLY C C 36 174.616 174.616 175.935 -1.319 25125 14624 1 22 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.488 -0.472 25125 14625 1 22 . 1 1 36 36 GLY H H 36 8.877 8.877 8.630 0.247 25125 14626 1 22 . 1 1 37 37 ASN N N 37 120.462 120.462 119.463 0.999 25125 14627 1 22 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.451 -0.089 25125 14628 1 22 . 1 1 37 37 ASN C C 37 178.686 178.686 176.934 1.752 25125 14629 1 22 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.407 1.125 25125 14630 1 22 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.505 -0.921 25125 14631 1 22 . 1 1 37 37 ASN H H 37 8.366 8.366 8.135 0.231 25125 14632 1 22 . 1 1 38 38 GLU N N 38 119.360 119.360 118.482 0.878 25125 14633 1 22 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.096 -0.026 25125 14634 1 22 . 1 1 38 38 GLU C C 38 179.263 179.263 177.777 1.486 25125 14635 1 22 . 1 1 38 38 GLU CA C 38 58.632 58.632 58.335 0.297 25125 14636 1 22 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.634 0.898 25125 14637 1 22 . 1 1 38 38 GLU H H 38 7.990 7.990 7.800 0.190 25125 14638 1 22 . 1 1 39 39 VAL N N 39 119.259 119.259 118.736 0.523 25125 14639 1 22 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.306 -0.538 25125 14640 1 22 . 1 1 39 39 VAL C C 39 176.431 176.431 177.616 -1.185 25125 14641 1 22 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.963 -0.020 25125 14642 1 22 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.876 -0.801 25125 14643 1 22 . 1 1 39 39 VAL H H 39 6.883 6.883 7.879 -0.996 25125 14644 1 22 . 1 1 40 40 LEU N N 40 119.627 119.627 121.856 -2.229 25125 14645 1 22 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.994 -0.066 25125 14646 1 22 . 1 1 40 40 LEU C C 40 179.538 179.538 178.231 1.307 25125 14647 1 22 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.166 -0.226 25125 14648 1 22 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.227 -0.160 25125 14649 1 22 . 1 1 40 40 LEU H H 40 7.692 7.692 7.499 0.193 25125 14650 1 22 . 1 1 41 41 ALA N N 41 120.051 120.051 119.957 0.094 25125 14651 1 22 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.132 0.008 25125 14652 1 22 . 1 1 41 41 ALA C C 41 180.528 180.528 179.676 0.852 25125 14653 1 22 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.556 0.094 25125 14654 1 22 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.935 -0.069 25125 14655 1 22 . 1 1 41 41 ALA H H 41 7.553 7.553 7.549 0.004 25125 14656 1 22 . 1 1 42 42 ALA N N 42 122.731 122.731 122.386 0.345 25125 14657 1 22 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.122 0.077 25125 14658 1 22 . 1 1 42 42 ALA C C 42 180.198 180.198 180.230 -0.032 25125 14659 1 22 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.441 0.591 25125 14660 1 22 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.183 1.216 25125 14661 1 22 . 1 1 42 42 ALA H H 42 7.604 7.604 7.178 0.426 25125 14662 1 22 . 1 1 43 43 LEU N N 43 119.131 119.131 118.664 0.467 25125 14663 1 22 . 1 1 43 43 LEU HA H 43 5.206 5.206 3.986 1.220 25125 14664 1 22 . 1 1 43 43 LEU C C 43 177.421 177.421 178.617 -1.196 25125 14665 1 22 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.569 -2.025 25125 14666 1 22 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.111 1.493 25125 14667 1 22 . 1 1 43 43 LEU H H 43 8.288 8.288 8.128 0.160 25125 14668 1 22 . 1 1 44 44 ALA N N 44 119.065 119.065 118.236 0.829 25125 14669 1 22 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.139 0.090 25125 14670 1 22 . 1 1 44 44 ALA C C 44 178.686 178.686 178.773 -0.087 25125 14671 1 22 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.893 0.345 25125 14672 1 22 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.377 0.139 25125 14673 1 22 . 1 1 44 44 ALA H H 44 7.302 7.302 7.609 -0.307 25125 14674 1 22 . 1 1 45 45 SER N N 45 108.656 108.656 115.129 -6.473 25125 14675 1 22 . 1 1 45 45 SER HA H 45 4.742 4.742 4.376 0.366 25125 14676 1 22 . 1 1 45 45 SER C C 45 173.296 173.296 176.118 -2.822 25125 14677 1 22 . 1 1 45 45 SER CA C 45 58.656 58.656 60.996 -2.340 25125 14678 1 22 . 1 1 45 45 SER CB C 45 65.407 65.407 63.789 1.618 25125 14679 1 22 . 1 1 45 45 SER H H 45 7.728 7.728 8.270 -0.542 25125 14680 1 22 . 1 1 46 46 LYS N N 46 123.016 123.016 116.931 6.085 25125 14681 1 22 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.639 -0.053 25125 14682 1 22 . 1 1 46 46 LYS C C 46 172.719 172.719 175.693 -2.974 25125 14683 1 22 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.253 -0.741 25125 14684 1 22 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.645 2.580 25125 14685 1 22 . 1 1 46 46 LYS H H 46 8.101 8.101 8.138 -0.037 25125 14686 1 22 . 1 1 47 47 THR N N 47 111.780 111.780 113.646 -1.866 25125 14687 1 22 . 1 1 47 47 THR HA H 47 4.282 4.282 3.923 0.359 25125 14688 1 22 . 1 1 47 47 THR CA C 47 57.806 57.806 62.381 -4.575 25125 14689 1 22 . 1 1 47 47 THR CB C 47 70.594 70.594 67.998 2.596 25125 14690 1 22 . 1 1 47 47 THR H H 47 7.677 7.677 7.884 -0.207 25125 14691 1 22 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.957 -0.052 25125 14692 1 22 . 1 1 48 48 PRO C C 48 172.966 172.966 175.155 -2.189 25125 14693 1 22 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.198 -1.333 25125 14694 1 22 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.617 -1.340 25125 14695 1 22 . 1 1 49 49 ASP N N 49 115.035 115.035 117.544 -2.509 25125 14696 1 22 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.847 -0.403 25125 14697 1 22 . 1 1 49 49 ASP C C 49 175.634 175.634 175.818 -0.184 25125 14698 1 22 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.816 1.631 25125 14699 1 22 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.366 -0.854 25125 14700 1 22 . 1 1 49 49 ASP H H 49 8.502 8.502 8.062 0.440 25125 14701 1 22 . 1 1 50 50 VAL N N 50 112.082 112.082 116.115 -4.033 25125 14702 1 22 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.487 -0.207 25125 14703 1 22 . 1 1 50 50 VAL C C 50 171.454 171.454 172.761 -1.307 25125 14704 1 22 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.506 -0.944 25125 14705 1 22 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.611 1.025 25125 14706 1 22 . 1 1 50 50 VAL H H 50 7.173 7.173 7.119 0.054 25125 14707 1 22 . 1 1 51 51 LEU N N 51 128.247 128.247 125.791 2.456 25125 14708 1 22 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.381 -0.062 25125 14709 1 22 . 1 1 51 51 LEU C C 51 173.104 173.104 175.613 -2.509 25125 14710 1 22 . 1 1 51 51 LEU CA C 51 53.218 53.218 52.897 0.321 25125 14711 1 22 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.133 0.373 25125 14712 1 22 . 1 1 51 51 LEU H H 51 8.059 8.059 8.312 -0.253 25125 14713 1 22 . 1 1 52 52 LEU N N 52 128.407 128.407 120.488 7.919 25125 14714 1 22 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.907 0.594 25125 14715 1 22 . 1 1 52 52 LEU C C 52 175.414 175.414 176.046 -0.632 25125 14716 1 22 . 1 1 52 52 LEU CA C 52 54.323 54.323 53.999 0.324 25125 14717 1 22 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.209 2.312 25125 14718 1 22 . 1 1 52 52 LEU H H 52 9.242 9.242 8.120 1.122 25125 14719 1 22 . 1 1 53 53 SER N N 53 114.946 114.946 117.535 -2.589 25125 14720 1 22 . 1 1 53 53 SER HA H 53 5.595 5.595 4.285 1.310 25125 14721 1 22 . 1 1 53 53 SER C C 53 174.644 174.644 174.210 0.434 25125 14722 1 22 . 1 1 53 53 SER CA C 53 55.954 55.954 59.309 -3.354 25125 14723 1 22 . 1 1 53 53 SER CB C 53 66.473 66.473 63.986 2.487 25125 14724 1 22 . 1 1 53 53 SER H H 53 8.695 8.695 8.004 0.691 25125 14725 1 22 . 1 1 54 54 ASP N N 54 128.341 128.341 126.608 1.733 25125 14726 1 22 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.712 0.613 25125 14727 1 22 . 1 1 54 54 ASP C C 54 176.816 176.816 176.304 0.512 25125 14728 1 22 . 1 1 54 54 ASP CA C 54 54.493 54.493 55.359 -0.867 25125 14729 1 22 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.428 -0.100 25125 14730 1 22 . 1 1 54 54 ASP H H 54 7.886 7.886 8.220 -0.334 25125 14731 1 22 . 1 1 55 55 ILE N N 55 121.229 121.229 117.357 3.872 25125 14732 1 22 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.711 0.474 25125 14733 1 22 . 1 1 55 55 ILE C C 55 175.084 175.084 174.029 1.055 25125 14734 1 22 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.074 -0.532 25125 14735 1 22 . 1 1 55 55 ILE CB C 55 39.029 39.029 37.082 1.947 25125 14736 1 22 . 1 1 55 55 ILE H H 55 8.722 8.722 8.260 0.462 25125 14737 1 22 . 1 1 56 56 ARG N N 56 124.188 124.188 122.423 1.765 25125 14738 1 22 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.408 0.097 25125 14739 1 22 . 1 1 56 56 ARG C C 56 175.661 175.661 175.551 0.110 25125 14740 1 22 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.373 -0.932 25125 14741 1 22 . 1 1 56 56 ARG CB C 56 30.362 30.362 32.280 -1.918 25125 14742 1 22 . 1 1 56 56 ARG H H 56 8.499 8.499 8.111 0.388 25125 14743 1 22 . 1 1 57 57 MET N N 57 122.581 122.581 120.030 2.551 25125 14744 1 22 . 1 1 57 57 MET HA H 57 4.821 4.821 4.904 -0.083 25125 14745 1 22 . 1 1 57 57 MET CA C 57 53.132 53.132 54.100 -0.968 25125 14746 1 22 . 1 1 57 57 MET CB C 57 33.445 33.445 31.963 1.482 25125 14747 1 22 . 1 1 57 57 MET H H 57 7.956 7.956 8.012 -0.056 25125 14748 1 22 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.506 -0.113 25125 14749 1 22 . 1 1 58 58 PRO C C 58 177.806 177.806 178.224 -0.418 25125 14750 1 22 . 1 1 58 58 PRO CA C 58 63.499 63.499 63.200 0.299 25125 14751 1 22 . 1 1 58 58 PRO CB C 58 31.807 31.807 32.370 -0.563 25125 14752 1 22 . 1 1 59 59 GLY N N 59 111.082 111.082 108.169 2.913 25125 14753 1 22 . 1 1 59 59 GLY C C 59 173.626 173.626 175.536 -1.910 25125 14754 1 22 . 1 1 59 59 GLY CA C 59 45.590 45.590 46.380 -0.790 25125 14755 1 22 . 1 1 59 59 GLY H H 59 8.653 8.653 8.566 0.087 25125 14756 1 22 . 1 1 60 60 MET N N 60 120.052 120.052 122.262 -2.210 25125 14757 1 22 . 1 1 60 60 MET HA H 60 4.525 4.525 4.301 0.224 25125 14758 1 22 . 1 1 60 60 MET C C 60 173.956 173.956 176.956 -3.000 25125 14759 1 22 . 1 1 60 60 MET CA C 60 55.047 55.047 56.995 -1.948 25125 14760 1 22 . 1 1 60 60 MET CB C 60 34.506 34.506 32.967 1.539 25125 14761 1 22 . 1 1 60 60 MET H H 60 7.968 7.968 8.229 -0.261 25125 14762 1 22 . 1 1 61 61 ASP N N 61 121.306 121.306 116.706 4.600 25125 14763 1 22 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.192 0.512 25125 14764 1 22 . 1 1 61 61 ASP C C 61 176.761 176.761 176.514 0.247 25125 14765 1 22 . 1 1 61 61 ASP CA C 61 53.729 53.729 57.222 -3.493 25125 14766 1 22 . 1 1 61 61 ASP CB C 61 41.069 41.069 39.972 1.097 25125 14767 1 22 . 1 1 61 61 ASP H H 61 8.379 8.379 8.284 0.095 25125 14768 1 22 . 1 1 62 62 GLY N N 62 110.874 110.874 104.824 6.050 25125 14769 1 22 . 1 1 62 62 GLY C C 62 175.194 175.194 174.694 0.500 25125 14770 1 22 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.599 1.502 25125 14771 1 22 . 1 1 62 62 GLY H H 62 8.707 8.707 8.345 0.362 25125 14772 1 22 . 1 1 63 63 LEU N N 63 121.299 121.299 121.926 -0.627 25125 14773 1 22 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.593 -0.416 25125 14774 1 22 . 1 1 63 63 LEU C C 63 178.356 178.356 178.110 0.246 25125 14775 1 22 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.390 1.488 25125 14776 1 22 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.262 0.976 25125 14777 1 22 . 1 1 63 63 LEU H H 63 8.045 8.045 7.956 0.089 25125 14778 1 22 . 1 1 64 64 ALA N N 64 122.741 122.741 123.710 -0.969 25125 14779 1 22 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.983 0.079 25125 14780 1 22 . 1 1 64 64 ALA C C 64 180.556 180.556 179.173 1.383 25125 14781 1 22 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.384 -0.769 25125 14782 1 22 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.874 0.126 25125 14783 1 22 . 1 1 64 64 ALA H H 64 7.859 7.859 8.015 -0.156 25125 14784 1 22 . 1 1 65 65 LEU N N 65 120.287 120.287 114.265 6.022 25125 14785 1 22 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.323 -0.261 25125 14786 1 22 . 1 1 65 65 LEU C C 65 178.191 178.191 178.339 -0.148 25125 14787 1 22 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.494 1.525 25125 14788 1 22 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.998 -0.760 25125 14789 1 22 . 1 1 65 65 LEU H H 65 8.022 8.022 7.809 0.213 25125 14790 1 22 . 1 1 66 66 LEU N N 66 118.738 118.738 119.737 -0.999 25125 14791 1 22 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.201 -0.343 25125 14792 1 22 . 1 1 66 66 LEU C C 66 178.631 178.631 178.765 -0.134 25125 14793 1 22 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.413 1.933 25125 14794 1 22 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.942 0.296 25125 14795 1 22 . 1 1 66 66 LEU H H 66 8.101 8.101 7.785 0.316 25125 14796 1 22 . 1 1 67 67 LYS N N 67 117.842 117.842 116.767 1.075 25125 14797 1 22 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.099 -0.117 25125 14798 1 22 . 1 1 67 67 LYS C C 67 179.263 179.263 178.386 0.877 25125 14799 1 22 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.501 1.296 25125 14800 1 22 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.891 0.316 25125 14801 1 22 . 1 1 67 67 LYS H H 67 8.010 8.010 8.134 -0.124 25125 14802 1 22 . 1 1 68 68 GLN N N 68 118.875 118.875 117.657 1.218 25125 14803 1 22 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.297 -0.241 25125 14804 1 22 . 1 1 68 68 GLN C C 68 179.071 179.071 177.538 1.533 25125 14805 1 22 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.219 0.854 25125 14806 1 22 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.970 -0.359 25125 14807 1 22 . 1 1 68 68 GLN H H 68 7.809 7.809 7.521 0.288 25125 14808 1 22 . 1 1 69 69 ILE N N 69 120.377 120.377 121.537 -1.160 25125 14809 1 22 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.998 -0.468 25125 14810 1 22 . 1 1 69 69 ILE C C 69 177.421 177.421 178.315 -0.894 25125 14811 1 22 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.739 1.139 25125 14812 1 22 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.538 0.046 25125 14813 1 22 . 1 1 69 69 ILE H H 69 8.481 8.481 7.550 0.931 25125 14814 1 22 . 1 1 70 70 LYS N N 70 117.873 117.873 118.834 -0.961 25125 14815 1 22 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.139 -0.179 25125 14816 1 22 . 1 1 70 70 LYS C C 70 178.053 178.053 178.484 -0.431 25125 14817 1 22 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.144 -2.056 25125 14818 1 22 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.203 -0.991 25125 14819 1 22 . 1 1 70 70 LYS H H 70 8.220 8.220 7.991 0.229 25125 14820 1 22 . 1 1 71 71 GLN N N 71 116.315 116.315 118.007 -1.692 25125 14821 1 22 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.214 -0.222 25125 14822 1 22 . 1 1 71 71 GLN C C 71 177.366 177.366 178.208 -0.842 25125 14823 1 22 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.296 -0.106 25125 14824 1 22 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.008 -0.343 25125 14825 1 22 . 1 1 71 71 GLN H H 71 7.601 7.601 7.515 0.086 25125 14826 1 22 . 1 1 72 72 ARG N N 72 116.530 116.530 117.937 -1.407 25125 14827 1 22 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.031 -0.001 25125 14828 1 22 . 1 1 72 72 ARG C C 72 175.826 175.826 176.187 -0.361 25125 14829 1 22 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.688 -0.466 25125 14830 1 22 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.307 0.495 25125 14831 1 22 . 1 1 72 72 ARG H H 72 7.301 7.301 8.285 -0.984 25125 14832 1 22 . 1 1 73 73 HIS N N 73 116.755 116.755 116.204 0.551 25125 14833 1 22 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.886 0.074 25125 14834 1 22 . 1 1 73 73 HIS CA C 73 53.218 53.218 52.999 0.219 25125 14835 1 22 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.342 0.220 25125 14836 1 22 . 1 1 73 73 HIS H H 73 8.331 8.331 7.796 0.535 25125 14837 1 22 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.496 0.003 25125 14838 1 22 . 1 1 74 74 PRO C C 74 178.466 178.466 177.426 1.040 25125 14839 1 22 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.728 0.384 25125 14840 1 22 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.195 -0.100 25125 14841 1 22 . 1 1 75 75 MET N N 75 114.814 114.814 116.936 -2.122 25125 14842 1 22 . 1 1 75 75 MET HA H 75 4.567 4.567 4.489 0.078 25125 14843 1 22 . 1 1 75 75 MET C C 75 176.046 176.046 175.487 0.559 25125 14844 1 22 . 1 1 75 75 MET CA C 75 54.266 54.266 55.595 -1.329 25125 14845 1 22 . 1 1 75 75 MET CB C 75 31.288 31.288 32.615 -1.327 25125 14846 1 22 . 1 1 75 75 MET H H 75 8.623 8.623 7.705 0.918 25125 14847 1 22 . 1 1 76 76 LEU N N 76 125.533 125.533 122.758 2.775 25125 14848 1 22 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.793 -0.488 25125 14849 1 22 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.131 1.981 25125 14850 1 22 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.451 0.234 25125 14851 1 22 . 1 1 76 76 LEU H H 76 7.337 7.337 7.210 0.127 25125 14852 1 22 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.476 -0.030 25125 14853 1 22 . 1 1 77 77 PRO C C 77 174.974 174.974 175.287 -0.313 25125 14854 1 22 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.472 0.355 25125 14855 1 22 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.041 -0.319 25125 14856 1 22 . 1 1 78 78 VAL N N 78 123.779 123.779 122.893 0.886 25125 14857 1 22 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.367 0.657 25125 14858 1 22 . 1 1 78 78 VAL C C 78 175.441 175.441 175.339 0.102 25125 14859 1 22 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.492 -0.299 25125 14860 1 22 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.103 -0.809 25125 14861 1 22 . 1 1 78 78 VAL H H 78 8.317 8.317 8.209 0.108 25125 14862 1 22 . 1 1 79 79 ILE N N 79 128.334 128.334 121.186 7.148 25125 14863 1 22 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.715 -0.234 25125 14864 1 22 . 1 1 79 79 ILE C C 79 174.479 174.479 174.517 -0.038 25125 14865 1 22 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.005 -0.483 25125 14866 1 22 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.869 -1.906 25125 14867 1 22 . 1 1 79 79 ILE H H 79 9.292 9.292 7.893 1.399 25125 14868 1 22 . 1 1 80 80 ILE N N 80 127.023 127.023 124.942 2.081 25125 14869 1 22 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.459 0.400 25125 14870 1 22 . 1 1 80 80 ILE C C 80 175.029 175.029 175.163 -0.134 25125 14871 1 22 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.477 -1.321 25125 14872 1 22 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.637 -1.693 25125 14873 1 22 . 1 1 80 80 ILE H H 80 7.938 7.938 8.701 -0.763 25125 14874 1 22 . 1 1 81 81 MET N N 81 127.255 127.255 124.867 2.388 25125 14875 1 22 . 1 1 81 81 MET HA H 81 5.521 5.521 5.456 0.065 25125 14876 1 22 . 1 1 81 81 MET C C 81 174.534 174.534 175.367 -0.833 25125 14877 1 22 . 1 1 81 81 MET CA C 81 53.513 53.513 55.081 -1.568 25125 14878 1 22 . 1 1 81 81 MET CB C 81 35.483 35.483 35.649 -0.166 25125 14879 1 22 . 1 1 81 81 MET H H 81 8.801 8.801 8.478 0.323 25125 14880 1 22 . 1 1 82 82 THR N N 82 112.857 112.857 116.764 -3.907 25125 14881 1 22 . 1 1 82 82 THR HA H 82 4.914 4.914 4.429 0.485 25125 14882 1 22 . 1 1 82 82 THR C C 82 172.581 172.581 174.478 -1.897 25125 14883 1 22 . 1 1 82 82 THR CA C 82 59.561 59.561 63.842 -4.281 25125 14884 1 22 . 1 1 82 82 THR CB C 82 69.989 69.989 69.627 0.362 25125 14885 1 22 . 1 1 82 82 THR H H 82 7.623 7.623 8.298 -0.675 25125 14886 1 22 . 1 1 83 83 ALA N N 83 129.541 129.541 123.198 6.343 25125 14887 1 22 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.969 0.739 25125 14888 1 22 . 1 1 83 83 ALA CA C 83 52.538 52.538 54.074 -1.536 25125 14889 1 22 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.139 2.008 25125 14890 1 22 . 1 1 83 83 ALA H H 83 9.149 9.149 8.266 0.883 25125 14891 1 22 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.523 -0.251 25125 14892 1 22 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.106 4.594 25125 14893 1 22 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.037 -0.019 25125 14894 1 22 . 1 1 85 85 SER N N 85 112.633 112.633 117.339 -4.706 25125 14895 1 22 . 1 1 85 85 SER HA H 85 4.198 4.198 4.151 0.047 25125 14896 1 22 . 1 1 85 85 SER C C 85 174.506 174.506 172.859 1.647 25125 14897 1 22 . 1 1 85 85 SER CA C 85 59.823 59.823 59.787 0.036 25125 14898 1 22 . 1 1 85 85 SER CB C 85 62.693 62.693 61.909 0.784 25125 14899 1 22 . 1 1 85 85 SER H H 85 8.224 8.224 8.718 -0.494 25125 14900 1 22 . 1 1 86 86 ASP N N 86 120.886 120.886 118.135 2.751 25125 14901 1 22 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.435 0.501 25125 14902 1 22 . 1 1 86 86 ASP C C 86 175.881 175.881 176.723 -0.842 25125 14903 1 22 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.073 -1.139 25125 14904 1 22 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.270 0.733 25125 14905 1 22 . 1 1 86 86 ASP H H 86 7.608 7.608 8.309 -0.701 25125 14906 1 22 . 1 1 87 87 LEU N N 87 121.913 121.913 122.054 -0.141 25125 14907 1 22 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.654 0.265 25125 14908 1 22 . 1 1 87 87 LEU C C 87 177.586 177.586 178.154 -0.568 25125 14909 1 22 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.535 -0.698 25125 14910 1 22 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.520 0.795 25125 14911 1 22 . 1 1 87 87 LEU H H 87 7.498 7.498 8.000 -0.501 25125 14912 1 22 . 1 1 88 88 ASP N N 88 117.621 117.621 117.676 -0.055 25125 14913 1 22 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.209 0.063 25125 14914 1 22 . 1 1 88 88 ASP C C 88 178.246 178.246 177.792 0.454 25125 14915 1 22 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.627 -0.817 25125 14916 1 22 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.579 -0.445 25125 14917 1 22 . 1 1 88 88 ASP H H 88 8.322 8.322 8.689 -0.367 25125 14918 1 22 . 1 1 89 89 ALA N N 89 122.874 122.874 121.296 1.578 25125 14919 1 22 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.359 -0.265 25125 14920 1 22 . 1 1 89 89 ALA C C 89 179.346 179.346 179.331 0.015 25125 14921 1 22 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.288 -0.135 25125 14922 1 22 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.792 -0.531 25125 14923 1 22 . 1 1 89 89 ALA H H 89 7.838 7.838 7.574 0.264 25125 14924 1 22 . 1 1 90 90 ALA N N 90 121.673 121.673 122.327 -0.654 25125 14925 1 22 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.059 -0.126 25125 14926 1 22 . 1 1 90 90 ALA C C 90 178.686 178.686 180.392 -1.706 25125 14927 1 22 . 1 1 90 90 ALA CA C 90 54.663 54.663 55.120 -0.457 25125 14928 1 22 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.078 0.304 25125 14929 1 22 . 1 1 90 90 ALA H H 90 7.896 7.896 8.454 -0.558 25125 14930 1 22 . 1 1 91 91 VAL N N 91 117.749 117.749 118.040 -0.291 25125 14931 1 22 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.000 -0.388 25125 14932 1 22 . 1 1 91 91 VAL C C 91 178.411 178.411 177.660 0.751 25125 14933 1 22 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.497 -1.316 25125 14934 1 22 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.567 0.070 25125 14935 1 22 . 1 1 91 91 VAL H H 91 8.098 8.098 8.713 -0.615 25125 14936 1 22 . 1 1 92 92 SER N N 92 114.942 114.942 114.414 0.528 25125 14937 1 22 . 1 1 92 92 SER HA H 92 4.231 4.231 4.431 -0.200 25125 14938 1 22 . 1 1 92 92 SER C C 92 175.826 175.826 175.762 0.064 25125 14939 1 22 . 1 1 92 92 SER CA C 92 60.649 60.649 60.052 0.597 25125 14940 1 22 . 1 1 92 92 SER CB C 92 63.063 63.063 64.104 -1.041 25125 14941 1 22 . 1 1 92 92 SER H H 92 7.825 7.825 7.850 -0.025 25125 14942 1 22 . 1 1 93 93 ALA N N 93 122.580 122.580 123.261 -0.681 25125 14943 1 22 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.217 -0.160 25125 14944 1 22 . 1 1 93 93 ALA C C 93 178.906 178.906 179.461 -0.555 25125 14945 1 22 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.599 -0.282 25125 14946 1 22 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.705 -0.408 25125 14947 1 22 . 1 1 93 93 ALA H H 93 7.861 7.861 8.508 -0.647 25125 14948 1 22 . 1 1 94 94 TYR N N 94 118.447 118.447 120.643 -2.196 25125 14949 1 22 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.280 0.212 25125 14950 1 22 . 1 1 94 94 TYR C C 94 177.393 177.393 177.494 -0.101 25125 14951 1 22 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.031 -0.780 25125 14952 1 22 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.420 0.014 25125 14953 1 22 . 1 1 94 94 TYR H H 94 8.150 8.150 7.892 0.258 25125 14954 1 22 . 1 1 95 95 GLN N N 95 119.787 119.787 115.758 4.029 25125 14955 1 22 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.061 -0.018 25125 14956 1 22 . 1 1 95 95 GLN C C 95 176.981 176.981 176.492 0.489 25125 14957 1 22 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.963 0.503 25125 14958 1 22 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.805 0.284 25125 14959 1 22 . 1 1 95 95 GLN H H 95 8.271 8.271 8.000 0.271 25125 14960 1 22 . 1 1 96 96 GLN N N 96 117.878 117.878 118.403 -0.525 25125 14961 1 22 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.239 0.106 25125 14962 1 22 . 1 1 96 96 GLN C C 96 175.854 175.854 175.850 0.004 25125 14963 1 22 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.847 0.324 25125 14964 1 22 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.179 0.296 25125 14965 1 22 . 1 1 96 96 GLN H H 96 7.944 7.944 7.636 0.308 25125 14966 1 22 . 1 1 97 97 GLY N N 97 106.670 106.670 105.427 1.243 25125 14967 1 22 . 1 1 97 97 GLY C C 97 174.231 174.231 173.139 1.092 25125 14968 1 22 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.894 0.592 25125 14969 1 22 . 1 1 97 97 GLY H H 97 7.949 7.949 7.295 0.654 25125 14970 1 22 . 1 1 98 98 ALA N N 98 122.898 122.898 120.915 1.983 25125 14971 1 22 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.385 -0.010 25125 14972 1 22 . 1 1 98 98 ALA C C 98 175.991 175.991 175.561 0.430 25125 14973 1 22 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.223 1.945 25125 14974 1 22 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.430 -1.461 25125 14975 1 22 . 1 1 98 98 ALA H H 98 7.808 7.808 7.132 0.676 25125 14976 1 22 . 1 1 99 99 PHE N N 99 123.484 123.484 119.530 3.954 25125 14977 1 22 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.460 -0.110 25125 14978 1 22 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.411 2.045 25125 14979 1 22 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.131 -0.691 25125 14980 1 22 . 1 1 99 99 PHE H H 99 7.704 7.704 8.288 -0.584 25125 14981 1 22 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.881 0.623 25125 14982 1 22 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.837 -1.355 25125 14983 1 22 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.563 3.636 25125 14984 1 22 . 1 1 101 101 TYR N N 101 118.148 118.148 121.708 -3.560 25125 14985 1 22 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.509 0.939 25125 14986 1 22 . 1 1 101 101 TYR C C 101 173.159 173.159 174.495 -1.336 25125 14987 1 22 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.624 0.363 25125 14988 1 22 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.103 2.795 25125 14989 1 22 . 1 1 101 101 TYR H H 101 9.546 9.546 7.379 2.167 25125 14990 1 22 . 1 1 102 102 LEU N N 102 124.100 124.100 121.043 3.057 25125 14991 1 22 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.056 -0.336 25125 14992 1 22 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.306 -0.807 25125 14993 1 22 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.422 -0.361 25125 14994 1 22 . 1 1 102 102 LEU H H 102 8.901 8.901 8.834 0.067 25125 14995 1 22 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.484 0.409 25125 14996 1 22 . 1 1 103 103 PRO C C 103 175.524 175.524 175.495 0.029 25125 14997 1 22 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.394 -0.509 25125 14998 1 22 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.138 -0.331 25125 14999 1 22 . 1 1 104 104 LYS N N 104 118.848 118.848 122.451 -3.603 25125 15000 1 22 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.948 -0.435 25125 15001 1 22 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.571 -0.353 25125 15002 1 22 . 1 1 104 104 LYS CB C 104 34.744 34.744 34.008 0.736 25125 15003 1 22 . 1 1 104 104 LYS H H 104 8.279 8.279 8.185 0.094 25125 15004 1 22 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.324 -0.025 25125 15005 1 22 . 1 1 105 105 PRO C C 105 175.001 175.001 175.567 -0.566 25125 15006 1 22 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.761 -0.367 25125 15007 1 22 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.137 1.958 25125 15008 1 22 . 1 1 106 106 PHE N N 106 116.607 116.607 113.812 2.795 25125 15009 1 22 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.694 0.476 25125 15010 1 22 . 1 1 106 106 PHE C C 106 175.221 175.221 173.640 1.581 25125 15011 1 22 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.917 -2.482 25125 15012 1 22 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.283 0.117 25125 15013 1 22 . 1 1 106 106 PHE H H 106 7.457 7.457 7.550 -0.093 25125 15014 1 22 . 1 1 107 107 ASP N N 107 122.214 122.214 122.563 -0.349 25125 15015 1 22 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.993 -0.161 25125 15016 1 22 . 1 1 107 107 ASP C C 107 177.778 177.778 176.981 0.797 25125 15017 1 22 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.760 -0.518 25125 15018 1 22 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.450 1.147 25125 15019 1 22 . 1 1 107 107 ASP H H 107 9.022 9.022 8.659 0.363 25125 15020 1 22 . 1 1 108 108 ILE N N 108 127.706 127.706 125.280 2.426 25125 15021 1 22 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.747 0.218 25125 15022 1 22 . 1 1 108 108 ILE C C 108 176.046 176.046 177.204 -1.158 25125 15023 1 22 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.923 -1.934 25125 15024 1 22 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.108 -0.354 25125 15025 1 22 . 1 1 108 108 ILE H H 108 8.860 8.860 8.728 0.132 25125 15026 1 22 . 1 1 109 109 ASP N N 109 120.058 120.058 119.054 1.004 25125 15027 1 22 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.355 0.033 25125 15028 1 22 . 1 1 109 109 ASP C C 109 179.786 179.786 178.818 0.968 25125 15029 1 22 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.801 -0.307 25125 15030 1 22 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.282 -0.228 25125 15031 1 22 . 1 1 109 109 ASP H H 109 8.079 8.079 8.647 -0.568 25125 15032 1 22 . 1 1 110 110 GLU N N 110 121.559 121.559 119.482 2.077 25125 15033 1 22 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.177 -0.109 25125 15034 1 22 . 1 1 110 110 GLU C C 110 179.043 179.043 178.300 0.743 25125 15035 1 22 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.419 0.407 25125 15036 1 22 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.895 -0.552 25125 15037 1 22 . 1 1 110 110 GLU H H 110 8.012 8.012 8.066 -0.054 25125 15038 1 22 . 1 1 111 111 ALA N N 111 122.267 122.267 123.619 -1.352 25125 15039 1 22 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.950 -0.196 25125 15040 1 22 . 1 1 111 111 ALA C C 111 178.493 178.493 179.578 -1.085 25125 15041 1 22 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.246 -0.074 25125 15042 1 22 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.232 0.150 25125 15043 1 22 . 1 1 111 111 ALA H H 111 7.897 7.897 7.838 0.059 25125 15044 1 22 . 1 1 112 112 VAL N N 112 116.527 116.527 118.082 -1.555 25125 15045 1 22 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.578 -0.411 25125 15046 1 22 . 1 1 112 112 VAL C C 112 177.201 177.201 177.854 -0.653 25125 15047 1 22 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.821 0.324 25125 15048 1 22 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.295 0.257 25125 15049 1 22 . 1 1 112 112 VAL H H 112 8.018 8.018 8.364 -0.346 25125 15050 1 22 . 1 1 113 113 ALA N N 113 119.895 119.895 121.085 -1.190 25125 15051 1 22 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.231 -0.093 25125 15052 1 22 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.455 0.377 25125 15053 1 22 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.537 -0.665 25125 15054 1 22 . 1 1 113 113 ALA H H 113 7.673 7.673 7.322 0.351 25125 15055 1 22 . 1 1 114 114 LEU N N 114 120.650 120.650 121.007 -0.357 25125 15056 1 22 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.151 -0.068 25125 15057 1 22 . 1 1 114 114 LEU C C 114 178.466 178.466 178.512 -0.046 25125 15058 1 22 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.707 0.313 25125 15059 1 22 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.119 -0.286 25125 15060 1 22 . 1 1 114 114 LEU H H 114 7.840 7.840 7.727 0.113 25125 15061 1 22 . 1 1 115 115 VAL N N 115 119.480 119.480 118.665 0.815 25125 15062 1 22 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.486 -0.274 25125 15063 1 22 . 1 1 115 115 VAL C C 115 177.448 177.448 177.322 0.126 25125 15064 1 22 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.836 1.365 25125 15065 1 22 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.433 -0.761 25125 15066 1 22 . 1 1 115 115 VAL H H 115 7.824 7.824 8.208 -0.384 25125 15067 1 22 . 1 1 116 116 GLU N N 116 117.473 117.473 119.226 -1.753 25125 15068 1 22 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.894 -0.105 25125 15069 1 22 . 1 1 116 116 GLU C C 116 179.566 179.566 178.442 1.124 25125 15070 1 22 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.745 0.185 25125 15071 1 22 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.241 -0.145 25125 15072 1 22 . 1 1 116 116 GLU H H 116 8.465 8.465 7.686 0.779 25125 15073 1 22 . 1 1 117 117 ARG N N 117 120.128 120.128 119.296 0.832 25125 15074 1 22 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.022 0.042 25125 15075 1 22 . 1 1 117 117 ARG C C 117 178.438 178.438 176.941 1.497 25125 15076 1 22 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.452 0.826 25125 15077 1 22 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.872 0.405 25125 15078 1 22 . 1 1 117 117 ARG H H 117 8.012 8.012 7.509 0.503 25125 15079 1 22 . 1 1 118 118 ALA N N 118 122.270 122.270 119.761 2.509 25125 15080 1 22 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.788 -0.332 25125 15081 1 22 . 1 1 118 118 ALA C C 118 178.741 178.741 178.513 0.228 25125 15082 1 22 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.814 0.764 25125 15083 1 22 . 1 1 118 118 ALA CB C 118 18.158 18.158 19.394 -1.236 25125 15084 1 22 . 1 1 118 118 ALA H H 118 7.958 7.958 7.194 0.764 25125 15085 1 22 . 1 1 119 119 ILE N N 119 115.269 115.269 117.288 -2.019 25125 15086 1 22 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.295 0.433 25125 15087 1 22 . 1 1 119 119 ILE C C 119 177.366 177.366 178.051 -0.685 25125 15088 1 22 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.291 -0.622 25125 15089 1 22 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.088 -0.290 25125 15090 1 22 . 1 1 119 119 ILE H H 119 7.753 7.753 7.588 0.165 25125 15091 1 22 . 1 1 120 120 SER N N 120 115.135 115.135 113.386 1.749 25125 15092 1 22 . 1 1 120 120 SER HA H 120 4.275 4.275 4.138 0.137 25125 15093 1 22 . 1 1 120 120 SER C C 120 175.084 175.084 174.302 0.782 25125 15094 1 22 . 1 1 120 120 SER CA C 120 59.816 59.816 58.678 1.138 25125 15095 1 22 . 1 1 120 120 SER CB C 120 63.380 63.380 63.096 0.284 25125 15096 1 22 . 1 1 120 120 SER H H 120 7.816 7.816 8.124 -0.308 25125 15097 1 22 . 1 1 121 121 HIS N N 121 119.908 119.908 119.299 0.609 25125 15098 1 22 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.236 0.186 25125 15099 1 22 . 1 1 121 121 HIS C C 121 175.029 175.029 177.834 -2.805 25125 15100 1 22 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.258 -2.022 25125 15101 1 22 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.777 -0.350 25125 15102 1 22 . 1 1 121 121 HIS H H 121 7.910 7.910 7.164 0.746 25125 15103 1 22 . 1 1 122 122 TYR N N 122 118.880 118.880 119.217 -0.337 25125 15104 1 22 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.432 -0.006 25125 15105 1 22 . 1 1 122 122 TYR C C 122 175.276 175.276 177.281 -2.005 25125 15106 1 22 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.912 -1.463 25125 15107 1 22 . 1 1 122 122 TYR CB C 122 38.604 38.604 37.642 0.962 25125 15108 1 22 . 1 1 122 122 TYR H H 122 7.766 7.766 7.079 0.687 25125 15109 1 22 . 1 1 123 123 GLN N N 123 121.479 121.479 116.936 4.543 25125 15110 1 22 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.418 -0.148 25125 15111 1 22 . 1 1 123 123 GLN C C 123 174.534 174.534 175.818 -1.284 25125 15112 1 22 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.337 0.176 25125 15113 1 22 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.286 1.482 25125 15114 1 22 . 1 1 123 123 GLN H H 123 7.878 7.878 8.258 -0.380 25125 15115 1 23 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.694 -0.261 25125 15116 1 23 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.086 0.478 25125 15117 1 23 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.485 2.115 25125 15118 1 23 . 1 1 3 3 ARG N N 3 121.252 121.252 120.149 1.103 25125 15119 1 23 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.189 0.176 25125 15120 1 23 . 1 1 3 3 ARG C C 3 175.634 175.634 175.801 -0.167 25125 15121 1 23 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.630 -0.639 25125 15122 1 23 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.237 1.060 25125 15123 1 23 . 1 1 3 3 ARG H H 3 8.429 8.429 7.513 0.916 25125 15124 1 23 . 1 1 4 4 GLY N N 4 107.663 107.663 108.550 -0.887 25125 15125 1 23 . 1 1 4 4 GLY C C 4 171.041 171.041 173.212 -2.171 25125 15126 1 23 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.333 0.983 25125 15127 1 23 . 1 1 4 4 GLY H H 4 7.963 7.963 7.677 0.286 25125 15128 1 23 . 1 1 5 5 ILE N N 5 122.603 122.603 124.760 -2.157 25125 15129 1 23 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.000 0.699 25125 15130 1 23 . 1 1 5 5 ILE C C 5 175.359 175.359 175.193 0.166 25125 15131 1 23 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.650 -1.040 25125 15132 1 23 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.288 0.288 25125 15133 1 23 . 1 1 5 5 ILE H H 5 9.610 9.610 8.175 1.435 25125 15134 1 23 . 1 1 6 6 VAL N N 6 127.905 127.905 124.582 3.323 25125 15135 1 23 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.983 -0.171 25125 15136 1 23 . 1 1 6 6 VAL C C 6 174.204 174.204 175.286 -1.082 25125 15137 1 23 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.648 -1.089 25125 15138 1 23 . 1 1 6 6 VAL CB C 6 34.526 34.526 34.168 0.358 25125 15139 1 23 . 1 1 6 6 VAL H H 6 9.090 9.090 7.847 1.243 25125 15140 1 23 . 1 1 7 7 TRP N N 7 127.467 127.467 127.397 0.070 25125 15141 1 23 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.351 1.103 25125 15142 1 23 . 1 1 7 7 TRP C C 7 175.056 175.056 175.340 -0.284 25125 15143 1 23 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.278 -1.400 25125 15144 1 23 . 1 1 7 7 TRP CB C 7 33.134 33.134 32.878 0.256 25125 15145 1 23 . 1 1 7 7 TRP H H 7 8.497 8.497 8.170 0.327 25125 15146 1 23 . 1 1 8 8 VAL N N 8 122.068 122.068 117.408 4.660 25125 15147 1 23 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.522 0.564 25125 15148 1 23 . 1 1 8 8 VAL C C 8 173.874 173.874 173.933 -0.059 25125 15149 1 23 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.526 -1.040 25125 15150 1 23 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.992 -0.278 25125 15151 1 23 . 1 1 8 8 VAL H H 8 8.583 8.583 9.423 -0.840 25125 15152 1 23 . 1 1 9 9 VAL N N 9 127.733 127.733 125.911 1.822 25125 15153 1 23 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.648 0.313 25125 15154 1 23 . 1 1 9 9 VAL C C 9 173.131 173.131 174.046 -0.915 25125 15155 1 23 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.467 -0.792 25125 15156 1 23 . 1 1 9 9 VAL CB C 9 32.911 32.911 32.431 0.480 25125 15157 1 23 . 1 1 9 9 VAL H H 9 9.107 9.107 8.748 0.359 25125 15158 1 23 . 1 1 10 10 ASP N N 10 124.306 124.306 125.943 -1.637 25125 15159 1 23 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.892 -0.323 25125 15160 1 23 . 1 1 10 10 ASP C C 10 175.029 175.029 174.793 0.236 25125 15161 1 23 . 1 1 10 10 ASP CA C 10 54.747 54.747 52.801 1.946 25125 15162 1 23 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.519 0.590 25125 15163 1 23 . 1 1 10 10 ASP H H 10 7.775 7.775 7.997 -0.222 25125 15164 1 23 . 1 1 11 11 ASP N N 11 126.714 126.714 118.235 8.479 25125 15165 1 23 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.958 -0.423 25125 15166 1 23 . 1 1 11 11 ASP C C 11 175.689 175.689 174.993 0.696 25125 15167 1 23 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.451 2.267 25125 15168 1 23 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.743 0.331 25125 15169 1 23 . 1 1 11 11 ASP H H 11 9.033 9.033 8.549 0.484 25125 15170 1 23 . 1 1 12 12 ASP N N 12 121.877 121.877 119.548 2.329 25125 15171 1 23 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.876 -0.230 25125 15172 1 23 . 1 1 12 12 ASP C C 12 177.036 177.036 176.478 0.558 25125 15173 1 23 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.239 0.064 25125 15174 1 23 . 1 1 12 12 ASP CB C 12 41.164 41.164 44.645 -3.481 25125 15175 1 23 . 1 1 12 12 ASP H H 12 9.570 9.570 8.545 1.025 25125 15176 1 23 . 1 1 13 13 SER N N 13 123.799 123.799 117.751 6.048 25125 15177 1 23 . 1 1 13 13 SER HA H 13 3.761 3.761 4.378 -0.617 25125 15178 1 23 . 1 1 13 13 SER C C 13 176.156 176.156 175.927 0.229 25125 15179 1 23 . 1 1 13 13 SER CA C 13 61.186 61.186 61.514 -0.328 25125 15180 1 23 . 1 1 13 13 SER CB C 13 62.749 62.749 63.387 -0.638 25125 15181 1 23 . 1 1 13 13 SER H H 13 8.850 8.850 8.865 -0.015 25125 15182 1 23 . 1 1 14 14 SER N N 14 119.123 119.123 117.263 1.860 25125 15183 1 23 . 1 1 14 14 SER HA H 14 4.361 4.361 4.529 -0.168 25125 15184 1 23 . 1 1 14 14 SER C C 14 176.404 176.404 176.599 -0.195 25125 15185 1 23 . 1 1 14 14 SER CA C 14 61.730 61.730 61.042 0.688 25125 15186 1 23 . 1 1 14 14 SER CB C 14 62.548 62.548 63.030 -0.482 25125 15187 1 23 . 1 1 14 14 SER H H 14 8.531 8.531 8.519 0.012 25125 15188 1 23 . 1 1 15 15 ILE N N 15 123.637 123.637 121.567 2.070 25125 15189 1 23 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.849 0.096 25125 15190 1 23 . 1 1 15 15 ILE C C 15 177.861 177.861 177.659 0.202 25125 15191 1 23 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.882 -2.682 25125 15192 1 23 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.918 -1.032 25125 15193 1 23 . 1 1 15 15 ILE H H 15 7.206 7.206 8.231 -1.025 25125 15194 1 23 . 1 1 16 16 ARG N N 16 116.694 116.694 118.288 -1.594 25125 15195 1 23 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.353 -0.630 25125 15196 1 23 . 1 1 16 16 ARG C C 16 177.448 177.448 177.997 -0.549 25125 15197 1 23 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.644 2.929 25125 15198 1 23 . 1 1 16 16 ARG CB C 16 30.447 30.447 30.162 0.285 25125 15199 1 23 . 1 1 16 16 ARG H H 16 7.562 7.562 7.550 0.012 25125 15200 1 23 . 1 1 17 17 TRP N N 17 116.848 116.848 123.080 -6.232 25125 15201 1 23 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.502 -0.031 25125 15202 1 23 . 1 1 17 17 TRP CA C 17 60.440 60.440 60.001 0.439 25125 15203 1 23 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.522 -0.230 25125 15204 1 23 . 1 1 17 17 TRP H H 17 8.005 8.005 7.685 0.320 25125 15205 1 23 . 1 1 18 18 VAL N N 18 116.964 116.964 120.060 -3.096 25125 15206 1 23 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.817 0.858 25125 15207 1 23 . 1 1 18 18 VAL C C 18 179.181 179.181 177.479 1.702 25125 15208 1 23 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.483 0.225 25125 15209 1 23 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.144 0.493 25125 15210 1 23 . 1 1 18 18 VAL H H 18 8.110 8.110 8.641 -0.531 25125 15211 1 23 . 1 1 19 19 LEU N N 19 120.186 120.186 118.173 2.013 25125 15212 1 23 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.082 -0.007 25125 15213 1 23 . 1 1 19 19 LEU C C 19 177.778 177.778 178.757 -0.979 25125 15214 1 23 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.267 0.555 25125 15215 1 23 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.679 0.101 25125 15216 1 23 . 1 1 19 19 LEU H H 19 8.073 8.073 7.523 0.550 25125 15217 1 23 . 1 1 20 20 GLU N N 20 120.193 120.193 119.424 0.769 25125 15218 1 23 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.013 -0.072 25125 15219 1 23 . 1 1 20 20 GLU C C 20 178.603 178.603 178.832 -0.229 25125 15220 1 23 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.424 1.186 25125 15221 1 23 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.675 -0.587 25125 15222 1 23 . 1 1 20 20 GLU H H 20 8.387 8.387 8.147 0.240 25125 15223 1 23 . 1 1 21 21 ARG N N 21 116.076 116.076 119.082 -3.006 25125 15224 1 23 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.008 -0.115 25125 15225 1 23 . 1 1 21 21 ARG C C 21 179.676 179.676 178.431 1.245 25125 15226 1 23 . 1 1 21 21 ARG CA C 21 58.449 58.449 59.163 -0.715 25125 15227 1 23 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.922 -0.069 25125 15228 1 23 . 1 1 21 21 ARG H H 21 7.602 7.602 7.677 -0.075 25125 15229 1 23 . 1 1 22 22 ALA N N 22 122.405 122.405 122.516 -0.111 25125 15230 1 23 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.065 0.032 25125 15231 1 23 . 1 1 22 22 ALA C C 22 180.501 180.501 179.119 1.382 25125 15232 1 23 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.914 -0.336 25125 15233 1 23 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.295 0.937 25125 15234 1 23 . 1 1 22 22 ALA H H 22 7.992 7.992 7.788 0.204 25125 15235 1 23 . 1 1 23 23 LEU N N 23 118.026 118.026 117.429 0.597 25125 15236 1 23 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.246 -0.245 25125 15237 1 23 . 1 1 23 23 LEU C C 23 178.878 178.878 179.027 -0.149 25125 15238 1 23 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.679 1.042 25125 15239 1 23 . 1 1 23 23 LEU CB C 23 39.655 39.655 42.055 -2.400 25125 15240 1 23 . 1 1 23 23 LEU H H 23 8.825 8.825 7.507 1.318 25125 15241 1 23 . 1 1 24 24 ALA N N 24 122.159 122.159 123.004 -0.845 25125 15242 1 23 . 1 1 24 24 ALA HA H 24 4.633 4.633 3.999 0.634 25125 15243 1 23 . 1 1 24 24 ALA C C 24 183.141 183.141 179.545 3.596 25125 15244 1 23 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.858 -0.111 25125 15245 1 23 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.445 -0.743 25125 15246 1 23 . 1 1 24 24 ALA H H 24 8.125 8.125 7.834 0.291 25125 15247 1 23 . 1 1 25 25 GLY N N 25 106.891 106.891 103.806 3.085 25125 15248 1 23 . 1 1 25 25 GLY C C 25 174.286 174.286 174.578 -0.292 25125 15249 1 23 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.178 1.243 25125 15250 1 23 . 1 1 25 25 GLY H H 25 7.870 7.870 8.242 -0.372 25125 15251 1 23 . 1 1 26 26 ALA N N 26 121.819 121.819 122.821 -1.002 25125 15252 1 23 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.596 -0.097 25125 15253 1 23 . 1 1 26 26 ALA C C 26 176.953 176.953 177.354 -0.401 25125 15254 1 23 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.503 0.016 25125 15255 1 23 . 1 1 26 26 ALA CB C 26 18.722 18.722 19.635 -0.913 25125 15256 1 23 . 1 1 26 26 ALA H H 26 7.285 7.285 7.495 -0.210 25125 15257 1 23 . 1 1 27 27 GLY N N 27 106.197 106.197 106.159 0.038 25125 15258 1 23 . 1 1 27 27 GLY C C 27 173.956 173.956 173.215 0.741 25125 15259 1 23 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.432 -0.116 25125 15260 1 23 . 1 1 27 27 GLY H H 27 7.824 7.824 7.775 0.049 25125 15261 1 23 . 1 1 28 28 LEU N N 28 120.291 120.291 117.225 3.066 25125 15262 1 23 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.763 -0.188 25125 15263 1 23 . 1 1 28 28 LEU C C 28 175.881 175.881 176.471 -0.590 25125 15264 1 23 . 1 1 28 28 LEU CA C 28 53.643 53.643 52.838 0.805 25125 15265 1 23 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.486 -2.001 25125 15266 1 23 . 1 1 28 28 LEU H H 28 7.678 7.678 7.636 0.042 25125 15267 1 23 . 1 1 29 29 THR N N 29 118.040 118.040 117.455 0.585 25125 15268 1 23 . 1 1 29 29 THR HA H 29 4.335 4.335 4.207 0.128 25125 15269 1 23 . 1 1 29 29 THR C C 29 173.186 173.186 173.772 -0.586 25125 15270 1 23 . 1 1 29 29 THR CA C 29 62.479 62.479 64.436 -1.957 25125 15271 1 23 . 1 1 29 29 THR CB C 29 69.465 69.465 69.583 -0.118 25125 15272 1 23 . 1 1 29 29 THR H H 29 8.527 8.527 8.492 0.035 25125 15273 1 23 . 1 1 30 30 CYS N N 30 128.387 128.387 121.047 7.340 25125 15274 1 23 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.527 0.416 25125 15275 1 23 . 1 1 30 30 CYS C C 30 173.846 173.846 174.079 -0.233 25125 15276 1 23 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.783 -0.422 25125 15277 1 23 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.844 -1.364 25125 15278 1 23 . 1 1 30 30 CYS H H 30 8.968 8.968 8.416 0.552 25125 15279 1 23 . 1 1 31 31 THR N N 31 126.481 126.481 123.564 2.917 25125 15280 1 23 . 1 1 31 31 THR HA H 31 4.433 4.433 4.420 0.013 25125 15281 1 23 . 1 1 31 31 THR C C 31 172.609 172.609 173.398 -0.789 25125 15282 1 23 . 1 1 31 31 THR CA C 31 61.951 61.951 61.540 0.411 25125 15283 1 23 . 1 1 31 31 THR CB C 31 70.567 70.567 70.123 0.444 25125 15284 1 23 . 1 1 31 31 THR H H 31 8.614 8.614 8.529 0.085 25125 15285 1 23 . 1 1 32 32 THR N N 32 116.418 116.418 118.561 -2.143 25125 15286 1 23 . 1 1 32 32 THR HA H 32 5.330 5.330 5.009 0.321 25125 15287 1 23 . 1 1 32 32 THR C C 32 172.306 172.306 173.180 -0.874 25125 15288 1 23 . 1 1 32 32 THR CA C 32 59.173 59.173 60.343 -1.170 25125 15289 1 23 . 1 1 32 32 THR CB C 32 70.917 70.917 69.486 1.431 25125 15290 1 23 . 1 1 32 32 THR H H 32 8.299 8.299 8.269 0.030 25125 15291 1 23 . 1 1 33 33 PHE N N 33 118.067 118.067 124.894 -6.827 25125 15292 1 23 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.804 -0.162 25125 15293 1 23 . 1 1 33 33 PHE C C 33 174.341 174.341 174.935 -0.594 25125 15294 1 23 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.573 -0.041 25125 15295 1 23 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.757 0.552 25125 15296 1 23 . 1 1 33 33 PHE H H 33 8.890 8.890 8.818 0.072 25125 15297 1 23 . 1 1 34 34 GLU N N 34 118.499 118.499 116.350 2.149 25125 15298 1 23 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.834 -0.480 25125 15299 1 23 . 1 1 34 34 GLU C C 34 175.414 175.414 174.849 0.565 25125 15300 1 23 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.874 0.818 25125 15301 1 23 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.351 1.117 25125 15302 1 23 . 1 1 34 34 GLU H H 34 9.023 9.023 8.664 0.359 25125 15303 1 23 . 1 1 35 35 ASN N N 35 109.907 109.907 118.529 -8.622 25125 15304 1 23 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.729 0.052 25125 15305 1 23 . 1 1 35 35 ASN C C 35 175.139 175.139 174.782 0.357 25125 15306 1 23 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.253 -1.107 25125 15307 1 23 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.282 2.042 25125 15308 1 23 . 1 1 35 35 ASN H H 35 7.401 7.401 8.237 -0.836 25125 15309 1 23 . 1 1 36 36 GLY N N 36 106.739 106.739 106.971 -0.232 25125 15310 1 23 . 1 1 36 36 GLY C C 36 174.616 174.616 174.454 0.162 25125 15311 1 23 . 1 1 36 36 GLY CA C 36 47.016 47.016 45.148 1.867 25125 15312 1 23 . 1 1 36 36 GLY H H 36 8.877 8.877 8.075 0.802 25125 15313 1 23 . 1 1 37 37 ASN N N 37 120.462 120.462 120.285 0.177 25125 15314 1 23 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.448 -0.086 25125 15315 1 23 . 1 1 37 37 ASN C C 37 178.686 178.686 175.982 2.704 25125 15316 1 23 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.382 1.150 25125 15317 1 23 . 1 1 37 37 ASN CB C 37 37.584 37.584 37.545 0.039 25125 15318 1 23 . 1 1 37 37 ASN H H 37 8.366 8.366 8.756 -0.390 25125 15319 1 23 . 1 1 38 38 GLU N N 38 119.360 119.360 117.303 2.057 25125 15320 1 23 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.260 -0.190 25125 15321 1 23 . 1 1 38 38 GLU C C 38 179.263 179.263 177.790 1.473 25125 15322 1 23 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.883 0.749 25125 15323 1 23 . 1 1 38 38 GLU CB C 38 30.532 30.532 28.873 1.659 25125 15324 1 23 . 1 1 38 38 GLU H H 38 7.990 7.990 8.587 -0.597 25125 15325 1 23 . 1 1 39 39 VAL N N 39 119.259 119.259 119.443 -0.184 25125 15326 1 23 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.337 -0.569 25125 15327 1 23 . 1 1 39 39 VAL C C 39 176.431 176.431 177.695 -1.264 25125 15328 1 23 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.350 1.593 25125 15329 1 23 . 1 1 39 39 VAL CB C 39 31.075 31.075 30.997 0.078 25125 15330 1 23 . 1 1 39 39 VAL H H 39 6.883 6.883 7.910 -1.027 25125 15331 1 23 . 1 1 40 40 LEU N N 40 119.627 119.627 121.748 -2.121 25125 15332 1 23 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.990 -0.063 25125 15333 1 23 . 1 1 40 40 LEU C C 40 179.538 179.538 178.204 1.334 25125 15334 1 23 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.258 -0.318 25125 15335 1 23 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.212 -0.145 25125 15336 1 23 . 1 1 40 40 LEU H H 40 7.692 7.692 7.460 0.232 25125 15337 1 23 . 1 1 41 41 ALA N N 41 120.051 120.051 120.104 -0.053 25125 15338 1 23 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.144 -0.004 25125 15339 1 23 . 1 1 41 41 ALA C C 41 180.528 180.528 179.699 0.829 25125 15340 1 23 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.542 0.108 25125 15341 1 23 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.879 -0.013 25125 15342 1 23 . 1 1 41 41 ALA H H 41 7.553 7.553 7.937 -0.384 25125 15343 1 23 . 1 1 42 42 ALA N N 42 122.731 122.731 122.403 0.328 25125 15344 1 23 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.185 0.014 25125 15345 1 23 . 1 1 42 42 ALA C C 42 180.198 180.198 180.170 0.028 25125 15346 1 23 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.639 0.393 25125 15347 1 23 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.088 1.311 25125 15348 1 23 . 1 1 42 42 ALA H H 42 7.604 7.604 7.314 0.290 25125 15349 1 23 . 1 1 43 43 LEU N N 43 119.131 119.131 117.707 1.424 25125 15350 1 23 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.201 1.005 25125 15351 1 23 . 1 1 43 43 LEU C C 43 177.421 177.421 178.914 -1.493 25125 15352 1 23 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.213 -1.668 25125 15353 1 23 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.171 1.433 25125 15354 1 23 . 1 1 43 43 LEU H H 43 8.288 8.288 7.917 0.371 25125 15355 1 23 . 1 1 44 44 ALA N N 44 119.065 119.065 119.479 -0.414 25125 15356 1 23 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.352 -0.123 25125 15357 1 23 . 1 1 44 44 ALA C C 44 178.686 178.686 177.907 0.779 25125 15358 1 23 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.561 0.677 25125 15359 1 23 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.793 -0.277 25125 15360 1 23 . 1 1 44 44 ALA H H 44 7.302 7.302 7.735 -0.433 25125 15361 1 23 . 1 1 45 45 SER N N 45 108.656 108.656 111.615 -2.959 25125 15362 1 23 . 1 1 45 45 SER HA H 45 4.742 4.742 4.679 0.063 25125 15363 1 23 . 1 1 45 45 SER C C 45 173.296 173.296 173.985 -0.689 25125 15364 1 23 . 1 1 45 45 SER CA C 45 58.656 58.656 58.742 -0.087 25125 15365 1 23 . 1 1 45 45 SER CB C 45 65.407 65.407 63.953 1.454 25125 15366 1 23 . 1 1 45 45 SER H H 45 7.728 7.728 7.628 0.100 25125 15367 1 23 . 1 1 46 46 LYS N N 46 123.016 123.016 119.966 3.050 25125 15368 1 23 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.405 0.181 25125 15369 1 23 . 1 1 46 46 LYS C C 46 172.719 172.719 174.914 -2.195 25125 15370 1 23 . 1 1 46 46 LYS CA C 46 55.512 55.512 57.122 -1.610 25125 15371 1 23 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.064 2.161 25125 15372 1 23 . 1 1 46 46 LYS H H 46 8.101 8.101 7.700 0.401 25125 15373 1 23 . 1 1 47 47 THR N N 47 111.780 111.780 115.942 -4.162 25125 15374 1 23 . 1 1 47 47 THR HA H 47 4.282 4.282 3.792 0.490 25125 15375 1 23 . 1 1 47 47 THR CA C 47 57.806 57.806 62.175 -4.369 25125 15376 1 23 . 1 1 47 47 THR CB C 47 70.594 70.594 67.890 2.704 25125 15377 1 23 . 1 1 47 47 THR H H 47 7.677 7.677 7.770 -0.093 25125 15378 1 23 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.858 0.047 25125 15379 1 23 . 1 1 48 48 PRO C C 48 172.966 172.966 175.588 -2.622 25125 15380 1 23 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.687 -0.822 25125 15381 1 23 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.631 -1.354 25125 15382 1 23 . 1 1 49 49 ASP N N 49 115.035 115.035 119.008 -3.973 25125 15383 1 23 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.445 -0.001 25125 15384 1 23 . 1 1 49 49 ASP C C 49 175.634 175.634 175.583 0.051 25125 15385 1 23 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.550 0.897 25125 15386 1 23 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.557 -0.045 25125 15387 1 23 . 1 1 49 49 ASP H H 49 8.502 8.502 8.212 0.290 25125 15388 1 23 . 1 1 50 50 VAL N N 50 112.082 112.082 114.536 -2.454 25125 15389 1 23 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.475 -0.195 25125 15390 1 23 . 1 1 50 50 VAL C C 50 171.454 171.454 172.798 -1.344 25125 15391 1 23 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.687 -1.125 25125 15392 1 23 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.354 0.282 25125 15393 1 23 . 1 1 50 50 VAL H H 50 7.173 7.173 7.097 0.076 25125 15394 1 23 . 1 1 51 51 LEU N N 51 128.247 128.247 125.614 2.633 25125 15395 1 23 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.214 0.105 25125 15396 1 23 . 1 1 51 51 LEU C C 51 173.104 173.104 175.115 -2.011 25125 15397 1 23 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.233 -0.016 25125 15398 1 23 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.271 0.235 25125 15399 1 23 . 1 1 51 51 LEU H H 51 8.059 8.059 8.060 -0.001 25125 15400 1 23 . 1 1 52 52 LEU N N 52 128.407 128.407 121.040 7.367 25125 15401 1 23 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.997 0.504 25125 15402 1 23 . 1 1 52 52 LEU C C 52 175.414 175.414 175.927 -0.513 25125 15403 1 23 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.196 0.127 25125 15404 1 23 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.268 1.253 25125 15405 1 23 . 1 1 52 52 LEU H H 52 9.242 9.242 8.231 1.011 25125 15406 1 23 . 1 1 53 53 SER N N 53 114.946 114.946 117.316 -2.370 25125 15407 1 23 . 1 1 53 53 SER HA H 53 5.595 5.595 4.321 1.274 25125 15408 1 23 . 1 1 53 53 SER C C 53 174.644 174.644 174.259 0.385 25125 15409 1 23 . 1 1 53 53 SER CA C 53 55.954 55.954 58.262 -2.308 25125 15410 1 23 . 1 1 53 53 SER CB C 53 66.473 66.473 64.547 1.926 25125 15411 1 23 . 1 1 53 53 SER H H 53 8.695 8.695 7.968 0.727 25125 15412 1 23 . 1 1 54 54 ASP N N 54 128.341 128.341 128.419 -0.078 25125 15413 1 23 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.640 0.685 25125 15414 1 23 . 1 1 54 54 ASP C C 54 176.816 176.816 176.079 0.737 25125 15415 1 23 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.380 1.113 25125 15416 1 23 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.181 0.147 25125 15417 1 23 . 1 1 54 54 ASP H H 54 7.886 7.886 8.093 -0.207 25125 15418 1 23 . 1 1 55 55 ILE N N 55 121.229 121.229 117.436 3.793 25125 15419 1 23 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.782 0.403 25125 15420 1 23 . 1 1 55 55 ILE C C 55 175.084 175.084 174.431 0.653 25125 15421 1 23 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.060 -0.518 25125 15422 1 23 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.050 2.979 25125 15423 1 23 . 1 1 55 55 ILE H H 55 8.722 8.722 7.515 1.207 25125 15424 1 23 . 1 1 56 56 ARG N N 56 124.188 124.188 122.922 1.266 25125 15425 1 23 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.582 -0.077 25125 15426 1 23 . 1 1 56 56 ARG C C 56 175.661 175.661 175.034 0.627 25125 15427 1 23 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.644 -0.203 25125 15428 1 23 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.660 -1.298 25125 15429 1 23 . 1 1 56 56 ARG H H 56 8.499 8.499 8.641 -0.142 25125 15430 1 23 . 1 1 57 57 MET N N 57 122.581 122.581 118.713 3.868 25125 15431 1 23 . 1 1 57 57 MET HA H 57 4.821 4.821 5.068 -0.247 25125 15432 1 23 . 1 1 57 57 MET CA C 57 53.132 53.132 52.108 1.024 25125 15433 1 23 . 1 1 57 57 MET CB C 57 33.445 33.445 33.183 0.262 25125 15434 1 23 . 1 1 57 57 MET H H 57 7.956 7.956 7.991 -0.035 25125 15435 1 23 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.342 0.051 25125 15436 1 23 . 1 1 58 58 PRO C C 58 177.806 177.806 177.757 0.049 25125 15437 1 23 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.583 -1.084 25125 15438 1 23 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.879 -0.072 25125 15439 1 23 . 1 1 59 59 GLY N N 59 111.082 111.082 108.310 2.772 25125 15440 1 23 . 1 1 59 59 GLY C C 59 173.626 173.626 174.255 -0.629 25125 15441 1 23 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.116 0.474 25125 15442 1 23 . 1 1 59 59 GLY H H 59 8.653 8.653 8.288 0.365 25125 15443 1 23 . 1 1 60 60 MET N N 60 120.052 120.052 120.015 0.037 25125 15444 1 23 . 1 1 60 60 MET HA H 60 4.525 4.525 4.504 0.021 25125 15445 1 23 . 1 1 60 60 MET C C 60 173.956 173.956 175.474 -1.518 25125 15446 1 23 . 1 1 60 60 MET CA C 60 55.047 55.047 55.630 -0.583 25125 15447 1 23 . 1 1 60 60 MET CB C 60 34.506 34.506 33.881 0.625 25125 15448 1 23 . 1 1 60 60 MET H H 60 7.968 7.968 7.701 0.267 25125 15449 1 23 . 1 1 61 61 ASP N N 61 121.306 121.306 121.001 0.305 25125 15450 1 23 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.524 0.179 25125 15451 1 23 . 1 1 61 61 ASP C C 61 176.761 176.761 177.568 -0.807 25125 15452 1 23 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.659 -1.930 25125 15453 1 23 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.319 -0.250 25125 15454 1 23 . 1 1 61 61 ASP H H 61 8.379 8.379 8.763 -0.384 25125 15455 1 23 . 1 1 62 62 GLY N N 62 110.874 110.874 107.803 3.071 25125 15456 1 23 . 1 1 62 62 GLY C C 62 175.194 175.194 175.472 -0.278 25125 15457 1 23 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.075 1.026 25125 15458 1 23 . 1 1 62 62 GLY H H 62 8.707 8.707 7.979 0.728 25125 15459 1 23 . 1 1 63 63 LEU N N 63 121.299 121.299 120.069 1.230 25125 15460 1 23 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.377 -0.200 25125 15461 1 23 . 1 1 63 63 LEU C C 63 178.356 178.356 178.040 0.316 25125 15462 1 23 . 1 1 63 63 LEU CA C 63 56.878 56.878 56.297 0.581 25125 15463 1 23 . 1 1 63 63 LEU CB C 63 41.238 41.238 39.994 1.244 25125 15464 1 23 . 1 1 63 63 LEU H H 63 8.045 8.045 8.152 -0.107 25125 15465 1 23 . 1 1 64 64 ALA N N 64 122.741 122.741 124.088 -1.347 25125 15466 1 23 . 1 1 64 64 ALA HA H 64 4.062 4.062 3.985 0.077 25125 15467 1 23 . 1 1 64 64 ALA C C 64 180.556 180.556 179.035 1.521 25125 15468 1 23 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.131 -0.516 25125 15469 1 23 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.894 0.106 25125 15470 1 23 . 1 1 64 64 ALA H H 64 7.859 7.859 8.239 -0.380 25125 15471 1 23 . 1 1 65 65 LEU N N 65 120.287 120.287 114.605 5.682 25125 15472 1 23 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.381 -0.319 25125 15473 1 23 . 1 1 65 65 LEU C C 65 178.191 178.191 178.529 -0.338 25125 15474 1 23 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.777 1.242 25125 15475 1 23 . 1 1 65 65 LEU CB C 65 41.238 41.238 41.883 -0.645 25125 15476 1 23 . 1 1 65 65 LEU H H 65 8.022 8.022 7.737 0.285 25125 15477 1 23 . 1 1 66 66 LEU N N 66 118.738 118.738 120.091 -1.353 25125 15478 1 23 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.168 -0.310 25125 15479 1 23 . 1 1 66 66 LEU C C 66 178.631 178.631 178.787 -0.156 25125 15480 1 23 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.575 1.770 25125 15481 1 23 . 1 1 66 66 LEU CB C 66 41.238 41.238 40.929 0.309 25125 15482 1 23 . 1 1 66 66 LEU H H 66 8.101 8.101 7.702 0.399 25125 15483 1 23 . 1 1 67 67 LYS N N 67 117.842 117.842 117.434 0.408 25125 15484 1 23 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.114 -0.132 25125 15485 1 23 . 1 1 67 67 LYS C C 67 179.263 179.263 178.724 0.539 25125 15486 1 23 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.697 1.100 25125 15487 1 23 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.014 0.193 25125 15488 1 23 . 1 1 67 67 LYS H H 67 8.010 8.010 8.378 -0.368 25125 15489 1 23 . 1 1 68 68 GLN N N 68 118.875 118.875 117.997 0.878 25125 15490 1 23 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.275 -0.219 25125 15491 1 23 . 1 1 68 68 GLN C C 68 179.071 179.071 177.615 1.456 25125 15492 1 23 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.156 0.917 25125 15493 1 23 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.849 -0.238 25125 15494 1 23 . 1 1 68 68 GLN H H 68 7.809 7.809 7.528 0.281 25125 15495 1 23 . 1 1 69 69 ILE N N 69 120.377 120.377 121.198 -0.821 25125 15496 1 23 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.855 -0.325 25125 15497 1 23 . 1 1 69 69 ILE C C 69 177.421 177.421 178.024 -0.603 25125 15498 1 23 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.904 0.974 25125 15499 1 23 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.893 -0.309 25125 15500 1 23 . 1 1 69 69 ILE H H 69 8.481 8.481 7.574 0.907 25125 15501 1 23 . 1 1 70 70 LYS N N 70 117.873 117.873 117.908 -0.035 25125 15502 1 23 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.302 -0.342 25125 15503 1 23 . 1 1 70 70 LYS C C 70 178.053 178.053 177.759 0.294 25125 15504 1 23 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.653 -1.565 25125 15505 1 23 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.226 -1.014 25125 15506 1 23 . 1 1 70 70 LYS H H 70 8.220 8.220 8.045 0.175 25125 15507 1 23 . 1 1 71 71 GLN N N 71 116.315 116.315 117.036 -0.721 25125 15508 1 23 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.180 -0.188 25125 15509 1 23 . 1 1 71 71 GLN C C 71 177.366 177.366 177.840 -0.474 25125 15510 1 23 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.001 0.189 25125 15511 1 23 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.971 -0.306 25125 15512 1 23 . 1 1 71 71 GLN H H 71 7.601 7.601 7.407 0.194 25125 15513 1 23 . 1 1 72 72 ARG N N 72 116.530 116.530 116.991 -0.461 25125 15514 1 23 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.085 -0.055 25125 15515 1 23 . 1 1 72 72 ARG C C 72 175.826 175.826 175.754 0.072 25125 15516 1 23 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.125 0.097 25125 15517 1 23 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.606 0.196 25125 15518 1 23 . 1 1 72 72 ARG H H 72 7.301 7.301 8.270 -0.969 25125 15519 1 23 . 1 1 73 73 HIS N N 73 116.755 116.755 116.582 0.173 25125 15520 1 23 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.832 0.128 25125 15521 1 23 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.283 -0.065 25125 15522 1 23 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.413 0.149 25125 15523 1 23 . 1 1 73 73 HIS H H 73 8.331 8.331 7.676 0.655 25125 15524 1 23 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.476 0.023 25125 15525 1 23 . 1 1 74 74 PRO C C 74 178.466 178.466 177.397 1.069 25125 15526 1 23 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.927 0.186 25125 15527 1 23 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.367 -0.272 25125 15528 1 23 . 1 1 75 75 MET N N 75 114.814 114.814 116.366 -1.552 25125 15529 1 23 . 1 1 75 75 MET HA H 75 4.567 4.567 4.396 0.171 25125 15530 1 23 . 1 1 75 75 MET C C 75 176.046 176.046 175.657 0.389 25125 15531 1 23 . 1 1 75 75 MET CA C 75 54.266 54.266 55.721 -1.455 25125 15532 1 23 . 1 1 75 75 MET CB C 75 31.288 31.288 32.682 -1.394 25125 15533 1 23 . 1 1 75 75 MET H H 75 8.623 8.623 7.804 0.819 25125 15534 1 23 . 1 1 76 76 LEU N N 76 125.533 125.533 122.085 3.448 25125 15535 1 23 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.682 -0.377 25125 15536 1 23 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.177 1.935 25125 15537 1 23 . 1 1 76 76 LEU CB C 76 43.685 43.685 42.706 0.979 25125 15538 1 23 . 1 1 76 76 LEU H H 76 7.337 7.337 7.086 0.251 25125 15539 1 23 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.521 -0.075 25125 15540 1 23 . 1 1 77 77 PRO C C 77 174.974 174.974 175.217 -0.243 25125 15541 1 23 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.614 0.213 25125 15542 1 23 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.398 -0.675 25125 15543 1 23 . 1 1 78 78 VAL N N 78 123.779 123.779 120.725 3.054 25125 15544 1 23 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.499 0.525 25125 15545 1 23 . 1 1 78 78 VAL C C 78 175.441 175.441 175.257 0.184 25125 15546 1 23 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.679 -0.486 25125 15547 1 23 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.020 -1.726 25125 15548 1 23 . 1 1 78 78 VAL H H 78 8.317 8.317 8.146 0.171 25125 15549 1 23 . 1 1 79 79 ILE N N 79 128.334 128.334 121.390 6.944 25125 15550 1 23 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.786 -0.305 25125 15551 1 23 . 1 1 79 79 ILE C C 79 174.479 174.479 174.845 -0.366 25125 15552 1 23 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.051 -0.529 25125 15553 1 23 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.206 -2.243 25125 15554 1 23 . 1 1 79 79 ILE H H 79 9.292 9.292 8.357 0.935 25125 15555 1 23 . 1 1 80 80 ILE N N 80 127.023 127.023 124.965 2.058 25125 15556 1 23 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.458 0.401 25125 15557 1 23 . 1 1 80 80 ILE C C 80 175.029 175.029 174.979 0.050 25125 15558 1 23 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.666 -1.509 25125 15559 1 23 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.423 -1.479 25125 15560 1 23 . 1 1 80 80 ILE H H 80 7.938 7.938 8.818 -0.880 25125 15561 1 23 . 1 1 81 81 MET N N 81 127.255 127.255 126.010 1.245 25125 15562 1 23 . 1 1 81 81 MET HA H 81 5.521 5.521 5.599 -0.078 25125 15563 1 23 . 1 1 81 81 MET C C 81 174.534 174.534 175.423 -0.889 25125 15564 1 23 . 1 1 81 81 MET CA C 81 53.513 53.513 55.026 -1.513 25125 15565 1 23 . 1 1 81 81 MET CB C 81 35.483 35.483 34.908 0.575 25125 15566 1 23 . 1 1 81 81 MET H H 81 8.801 8.801 8.742 0.059 25125 15567 1 23 . 1 1 82 82 THR N N 82 112.857 112.857 118.005 -5.148 25125 15568 1 23 . 1 1 82 82 THR HA H 82 4.914 4.914 4.536 0.378 25125 15569 1 23 . 1 1 82 82 THR C C 82 172.581 172.581 172.813 -0.232 25125 15570 1 23 . 1 1 82 82 THR CA C 82 59.561 59.561 63.481 -3.920 25125 15571 1 23 . 1 1 82 82 THR CB C 82 69.989 69.989 70.029 -0.040 25125 15572 1 23 . 1 1 82 82 THR H H 82 7.623 7.623 8.018 -0.395 25125 15573 1 23 . 1 1 83 83 ALA N N 83 129.541 129.541 125.846 3.695 25125 15574 1 23 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.989 0.719 25125 15575 1 23 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.783 -1.245 25125 15576 1 23 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.794 2.353 25125 15577 1 23 . 1 1 83 83 ALA H H 83 9.149 9.149 8.289 0.860 25125 15578 1 23 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.551 -0.279 25125 15579 1 23 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.937 3.763 25125 15580 1 23 . 1 1 84 84 HIS CB C 84 30.018 30.018 30.972 -0.954 25125 15581 1 23 . 1 1 85 85 SER N N 85 112.633 112.633 114.202 -1.569 25125 15582 1 23 . 1 1 85 85 SER HA H 85 4.198 4.198 4.463 -0.265 25125 15583 1 23 . 1 1 85 85 SER C C 85 174.506 174.506 173.396 1.110 25125 15584 1 23 . 1 1 85 85 SER CA C 85 59.823 59.823 58.661 1.162 25125 15585 1 23 . 1 1 85 85 SER CB C 85 62.693 62.693 63.768 -1.075 25125 15586 1 23 . 1 1 85 85 SER H H 85 8.224 8.224 7.294 0.930 25125 15587 1 23 . 1 1 86 86 ASP N N 86 120.886 120.886 120.823 0.063 25125 15588 1 23 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.590 0.346 25125 15589 1 23 . 1 1 86 86 ASP C C 86 175.881 175.881 176.030 -0.149 25125 15590 1 23 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.129 -1.195 25125 15591 1 23 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.825 0.178 25125 15592 1 23 . 1 1 86 86 ASP H H 86 7.608 7.608 8.064 -0.456 25125 15593 1 23 . 1 1 87 87 LEU N N 87 121.913 121.913 120.759 1.154 25125 15594 1 23 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.526 0.393 25125 15595 1 23 . 1 1 87 87 LEU C C 87 177.586 177.586 177.581 0.005 25125 15596 1 23 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.860 -1.023 25125 15597 1 23 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.499 0.816 25125 15598 1 23 . 1 1 87 87 LEU H H 87 7.498 7.498 8.098 -0.600 25125 15599 1 23 . 1 1 88 88 ASP N N 88 117.621 117.621 117.548 0.073 25125 15600 1 23 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.177 0.095 25125 15601 1 23 . 1 1 88 88 ASP C C 88 178.246 178.246 177.332 0.914 25125 15602 1 23 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.318 -0.508 25125 15603 1 23 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.430 -0.296 25125 15604 1 23 . 1 1 88 88 ASP H H 88 8.322 8.322 8.451 -0.129 25125 15605 1 23 . 1 1 89 89 ALA N N 89 122.874 122.874 121.435 1.439 25125 15606 1 23 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.313 -0.219 25125 15607 1 23 . 1 1 89 89 ALA C C 89 179.346 179.346 179.441 -0.095 25125 15608 1 23 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.097 0.056 25125 15609 1 23 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.911 -0.650 25125 15610 1 23 . 1 1 89 89 ALA H H 89 7.838 7.838 7.427 0.411 25125 15611 1 23 . 1 1 90 90 ALA N N 90 121.673 121.673 121.608 0.065 25125 15612 1 23 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.105 -0.172 25125 15613 1 23 . 1 1 90 90 ALA C C 90 178.686 178.686 179.723 -1.037 25125 15614 1 23 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.734 -0.071 25125 15615 1 23 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.002 0.380 25125 15616 1 23 . 1 1 90 90 ALA H H 90 7.896 7.896 8.361 -0.465 25125 15617 1 23 . 1 1 91 91 VAL N N 91 117.749 117.749 118.457 -0.708 25125 15618 1 23 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.924 -0.312 25125 15619 1 23 . 1 1 91 91 VAL C C 91 178.411 178.411 178.384 0.027 25125 15620 1 23 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.708 -1.527 25125 15621 1 23 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.943 -0.306 25125 15622 1 23 . 1 1 91 91 VAL H H 91 8.098 8.098 8.416 -0.318 25125 15623 1 23 . 1 1 92 92 SER N N 92 114.942 114.942 113.190 1.752 25125 15624 1 23 . 1 1 92 92 SER HA H 92 4.231 4.231 4.395 -0.164 25125 15625 1 23 . 1 1 92 92 SER C C 92 175.826 175.826 174.672 1.154 25125 15626 1 23 . 1 1 92 92 SER CA C 92 60.649 60.649 60.183 0.466 25125 15627 1 23 . 1 1 92 92 SER CB C 92 63.063 63.063 63.706 -0.643 25125 15628 1 23 . 1 1 92 92 SER H H 92 7.825 7.825 7.908 -0.083 25125 15629 1 23 . 1 1 93 93 ALA N N 93 122.580 122.580 122.741 -0.161 25125 15630 1 23 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.397 -0.340 25125 15631 1 23 . 1 1 93 93 ALA C C 93 178.906 178.906 179.220 -0.314 25125 15632 1 23 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.188 0.129 25125 15633 1 23 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.890 -0.593 25125 15634 1 23 . 1 1 93 93 ALA H H 93 7.861 7.861 8.140 -0.279 25125 15635 1 23 . 1 1 94 94 TYR N N 94 118.447 118.447 121.673 -3.226 25125 15636 1 23 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.196 0.296 25125 15637 1 23 . 1 1 94 94 TYR C C 94 177.393 177.393 177.167 0.226 25125 15638 1 23 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.644 -1.393 25125 15639 1 23 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.558 -0.124 25125 15640 1 23 . 1 1 94 94 TYR H H 94 8.150 8.150 7.806 0.344 25125 15641 1 23 . 1 1 95 95 GLN N N 95 119.787 119.787 116.210 3.577 25125 15642 1 23 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.019 0.024 25125 15643 1 23 . 1 1 95 95 GLN C C 95 176.981 176.981 177.823 -0.842 25125 15644 1 23 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.050 0.416 25125 15645 1 23 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.504 0.585 25125 15646 1 23 . 1 1 95 95 GLN H H 95 8.271 8.271 7.985 0.286 25125 15647 1 23 . 1 1 96 96 GLN N N 96 117.878 117.878 120.746 -2.868 25125 15648 1 23 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.280 0.065 25125 15649 1 23 . 1 1 96 96 GLN C C 96 175.854 175.854 176.036 -0.182 25125 15650 1 23 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.985 0.186 25125 15651 1 23 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.471 1.004 25125 15652 1 23 . 1 1 96 96 GLN H H 96 7.944 7.944 8.100 -0.156 25125 15653 1 23 . 1 1 97 97 GLY N N 97 106.670 106.670 106.001 0.669 25125 15654 1 23 . 1 1 97 97 GLY C C 97 174.231 174.231 172.948 1.283 25125 15655 1 23 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.808 0.678 25125 15656 1 23 . 1 1 97 97 GLY H H 97 7.949 7.949 7.578 0.371 25125 15657 1 23 . 1 1 98 98 ALA N N 98 122.898 122.898 120.289 2.609 25125 15658 1 23 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.448 -0.073 25125 15659 1 23 . 1 1 98 98 ALA C C 98 175.991 175.991 175.300 0.691 25125 15660 1 23 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.083 2.085 25125 15661 1 23 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.573 -1.604 25125 15662 1 23 . 1 1 98 98 ALA H H 98 7.808 7.808 7.129 0.679 25125 15663 1 23 . 1 1 99 99 PHE N N 99 123.484 123.484 118.460 5.024 25125 15664 1 23 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.499 -0.149 25125 15665 1 23 . 1 1 99 99 PHE CA C 99 59.456 59.456 56.995 2.461 25125 15666 1 23 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.499 -1.059 25125 15667 1 23 . 1 1 99 99 PHE H H 99 7.704 7.704 8.095 -0.391 25125 15668 1 23 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.846 0.658 25125 15669 1 23 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.401 -1.919 25125 15670 1 23 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.243 3.957 25125 15671 1 23 . 1 1 101 101 TYR N N 101 118.148 118.148 120.836 -2.688 25125 15672 1 23 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.430 1.018 25125 15673 1 23 . 1 1 101 101 TYR C C 101 173.159 173.159 174.255 -1.096 25125 15674 1 23 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.907 -0.920 25125 15675 1 23 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.929 2.969 25125 15676 1 23 . 1 1 101 101 TYR H H 101 9.546 9.546 7.342 2.204 25125 15677 1 23 . 1 1 102 102 LEU N N 102 124.100 124.100 119.961 4.139 25125 15678 1 23 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.100 -0.380 25125 15679 1 23 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.350 -0.851 25125 15680 1 23 . 1 1 102 102 LEU CB C 102 45.061 45.061 46.000 -0.939 25125 15681 1 23 . 1 1 102 102 LEU H H 102 8.901 8.901 8.899 0.002 25125 15682 1 23 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.676 0.217 25125 15683 1 23 . 1 1 103 103 PRO C C 103 175.524 175.524 175.775 -0.251 25125 15684 1 23 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.306 -0.421 25125 15685 1 23 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.294 -0.487 25125 15686 1 23 . 1 1 104 104 LYS N N 104 118.848 118.848 120.477 -1.629 25125 15687 1 23 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.883 -0.370 25125 15688 1 23 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.930 -0.712 25125 15689 1 23 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.341 1.403 25125 15690 1 23 . 1 1 104 104 LYS H H 104 8.279 8.279 8.030 0.249 25125 15691 1 23 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.445 -0.146 25125 15692 1 23 . 1 1 105 105 PRO C C 105 175.001 175.001 175.448 -0.447 25125 15693 1 23 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.736 -0.342 25125 15694 1 23 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.195 1.900 25125 15695 1 23 . 1 1 106 106 PHE N N 106 116.607 116.607 114.869 1.738 25125 15696 1 23 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.842 0.328 25125 15697 1 23 . 1 1 106 106 PHE C C 106 175.221 175.221 174.475 0.746 25125 15698 1 23 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.336 -1.901 25125 15699 1 23 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.491 -0.091 25125 15700 1 23 . 1 1 106 106 PHE H H 106 7.457 7.457 7.303 0.154 25125 15701 1 23 . 1 1 107 107 ASP N N 107 122.214 122.214 122.727 -0.513 25125 15702 1 23 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.910 -0.078 25125 15703 1 23 . 1 1 107 107 ASP C C 107 177.778 177.778 177.420 0.358 25125 15704 1 23 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.731 -0.489 25125 15705 1 23 . 1 1 107 107 ASP CB C 107 42.597 42.597 40.779 1.819 25125 15706 1 23 . 1 1 107 107 ASP H H 107 9.022 9.022 8.765 0.257 25125 15707 1 23 . 1 1 108 108 ILE N N 108 127.706 127.706 125.468 2.238 25125 15708 1 23 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.697 0.268 25125 15709 1 23 . 1 1 108 108 ILE C C 108 176.046 176.046 177.480 -1.434 25125 15710 1 23 . 1 1 108 108 ILE CA C 108 62.989 62.989 65.150 -2.161 25125 15711 1 23 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.034 -0.280 25125 15712 1 23 . 1 1 108 108 ILE H H 108 8.860 8.860 8.638 0.222 25125 15713 1 23 . 1 1 109 109 ASP N N 109 120.058 120.058 119.056 1.002 25125 15714 1 23 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.368 0.020 25125 15715 1 23 . 1 1 109 109 ASP C C 109 179.786 179.786 178.948 0.838 25125 15716 1 23 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.744 -0.250 25125 15717 1 23 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.436 -0.382 25125 15718 1 23 . 1 1 109 109 ASP H H 109 8.079 8.079 8.609 -0.530 25125 15719 1 23 . 1 1 110 110 GLU N N 110 121.559 121.559 119.497 2.062 25125 15720 1 23 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.203 -0.135 25125 15721 1 23 . 1 1 110 110 GLU C C 110 179.043 179.043 178.488 0.555 25125 15722 1 23 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.590 0.236 25125 15723 1 23 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.895 -0.552 25125 15724 1 23 . 1 1 110 110 GLU H H 110 8.012 8.012 7.973 0.039 25125 15725 1 23 . 1 1 111 111 ALA N N 111 122.267 122.267 123.371 -1.104 25125 15726 1 23 . 1 1 111 111 ALA HA H 111 3.754 3.754 4.023 -0.269 25125 15727 1 23 . 1 1 111 111 ALA C C 111 178.493 178.493 179.365 -0.872 25125 15728 1 23 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.259 -0.087 25125 15729 1 23 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.267 0.115 25125 15730 1 23 . 1 1 111 111 ALA H H 111 7.897 7.897 8.311 -0.414 25125 15731 1 23 . 1 1 112 112 VAL N N 112 116.527 116.527 117.956 -1.429 25125 15732 1 23 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.499 -0.332 25125 15733 1 23 . 1 1 112 112 VAL C C 112 177.201 177.201 177.724 -0.523 25125 15734 1 23 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.457 0.688 25125 15735 1 23 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.615 -0.063 25125 15736 1 23 . 1 1 112 112 VAL H H 112 8.018 8.018 8.363 -0.345 25125 15737 1 23 . 1 1 113 113 ALA N N 113 119.895 119.895 120.695 -0.800 25125 15738 1 23 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.245 -0.107 25125 15739 1 23 . 1 1 113 113 ALA CA C 113 54.832 54.832 53.859 0.973 25125 15740 1 23 . 1 1 113 113 ALA CB C 113 17.872 17.872 19.003 -1.131 25125 15741 1 23 . 1 1 113 113 ALA H H 113 7.673 7.673 7.463 0.210 25125 15742 1 23 . 1 1 114 114 LEU N N 114 120.650 120.650 120.530 0.120 25125 15743 1 23 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.112 -0.029 25125 15744 1 23 . 1 1 114 114 LEU C C 114 178.466 178.466 178.481 -0.015 25125 15745 1 23 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.647 0.373 25125 15746 1 23 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.099 -0.266 25125 15747 1 23 . 1 1 114 114 LEU H H 114 7.840 7.840 7.729 0.111 25125 15748 1 23 . 1 1 115 115 VAL N N 115 119.480 119.480 118.400 1.080 25125 15749 1 23 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.462 -0.250 25125 15750 1 23 . 1 1 115 115 VAL C C 115 177.448 177.448 177.056 0.392 25125 15751 1 23 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.914 1.287 25125 15752 1 23 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.931 -1.259 25125 15753 1 23 . 1 1 115 115 VAL H H 115 7.824 7.824 7.988 -0.164 25125 15754 1 23 . 1 1 116 116 GLU N N 116 117.473 117.473 118.996 -1.523 25125 15755 1 23 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.956 -0.167 25125 15756 1 23 . 1 1 116 116 GLU C C 116 179.566 179.566 178.487 1.079 25125 15757 1 23 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.317 0.613 25125 15758 1 23 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.383 -0.287 25125 15759 1 23 . 1 1 116 116 GLU H H 116 8.465 8.465 7.687 0.778 25125 15760 1 23 . 1 1 117 117 ARG N N 117 120.128 120.128 119.054 1.074 25125 15761 1 23 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.095 -0.031 25125 15762 1 23 . 1 1 117 117 ARG C C 117 178.438 178.438 177.213 1.225 25125 15763 1 23 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.665 0.613 25125 15764 1 23 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.984 0.293 25125 15765 1 23 . 1 1 117 117 ARG H H 117 8.012 8.012 7.388 0.624 25125 15766 1 23 . 1 1 118 118 ALA N N 118 122.270 122.270 120.188 2.082 25125 15767 1 23 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.945 -0.489 25125 15768 1 23 . 1 1 118 118 ALA C C 118 178.741 178.741 178.403 0.338 25125 15769 1 23 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.763 0.815 25125 15770 1 23 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.832 -0.674 25125 15771 1 23 . 1 1 118 118 ALA H H 118 7.958 7.958 7.161 0.797 25125 15772 1 23 . 1 1 119 119 ILE N N 119 115.269 115.269 117.490 -2.221 25125 15773 1 23 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.244 -0.516 25125 15774 1 23 . 1 1 119 119 ILE C C 119 177.366 177.366 178.288 -0.922 25125 15775 1 23 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.075 -0.406 25125 15776 1 23 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.658 -0.860 25125 15777 1 23 . 1 1 119 119 ILE H H 119 7.753 7.753 7.379 0.374 25125 15778 1 23 . 1 1 120 120 SER N N 120 115.135 115.135 115.415 -0.280 25125 15779 1 23 . 1 1 120 120 SER HA H 120 4.275 4.275 4.071 0.204 25125 15780 1 23 . 1 1 120 120 SER C C 120 175.084 175.084 175.734 -0.650 25125 15781 1 23 . 1 1 120 120 SER CA C 120 59.816 59.816 61.290 -1.474 25125 15782 1 23 . 1 1 120 120 SER CB C 120 63.380 63.380 62.796 0.584 25125 15783 1 23 . 1 1 120 120 SER H H 120 7.816 7.816 8.193 -0.377 25125 15784 1 23 . 1 1 121 121 HIS N N 121 119.908 119.908 119.452 0.456 25125 15785 1 23 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.149 0.273 25125 15786 1 23 . 1 1 121 121 HIS C C 121 175.029 175.029 176.818 -1.789 25125 15787 1 23 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.834 -1.598 25125 15788 1 23 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.643 -0.215 25125 15789 1 23 . 1 1 121 121 HIS H H 121 7.910 7.910 7.780 0.130 25125 15790 1 23 . 1 1 122 122 TYR N N 122 118.880 118.880 117.273 1.607 25125 15791 1 23 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.565 -0.139 25125 15792 1 23 . 1 1 122 122 TYR C C 122 175.276 175.276 176.850 -1.574 25125 15793 1 23 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.312 -0.863 25125 15794 1 23 . 1 1 122 122 TYR CB C 122 38.604 38.604 39.243 -0.639 25125 15795 1 23 . 1 1 122 122 TYR H H 122 7.766 7.766 7.579 0.187 25125 15796 1 23 . 1 1 123 123 GLN N N 123 121.479 121.479 118.227 3.252 25125 15797 1 23 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.466 -0.196 25125 15798 1 23 . 1 1 123 123 GLN C C 123 174.534 174.534 175.545 -1.011 25125 15799 1 23 . 1 1 123 123 GLN CA C 123 55.512 55.512 54.875 0.637 25125 15800 1 23 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.269 1.499 25125 15801 1 23 . 1 1 123 123 GLN H H 123 7.878 7.878 7.624 0.254 25125 15802 1 24 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.614 -0.181 25125 15803 1 24 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.282 0.282 25125 15804 1 24 . 1 1 2 2 GLN CB C 2 29.600 29.600 26.814 2.786 25125 15805 1 24 . 1 1 3 3 ARG N N 3 121.252 121.252 119.780 1.472 25125 15806 1 24 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.155 0.210 25125 15807 1 24 . 1 1 3 3 ARG C C 3 175.634 175.634 175.924 -0.290 25125 15808 1 24 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.834 -0.843 25125 15809 1 24 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.214 1.083 25125 15810 1 24 . 1 1 3 3 ARG H H 3 8.429 8.429 7.602 0.827 25125 15811 1 24 . 1 1 4 4 GLY N N 4 107.663 107.663 108.441 -0.778 25125 15812 1 24 . 1 1 4 4 GLY C C 4 171.041 171.041 173.193 -2.152 25125 15813 1 24 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.341 0.975 25125 15814 1 24 . 1 1 4 4 GLY H H 4 7.963 7.963 7.701 0.262 25125 15815 1 24 . 1 1 5 5 ILE N N 5 122.603 122.603 124.859 -2.256 25125 15816 1 24 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.041 0.658 25125 15817 1 24 . 1 1 5 5 ILE C C 5 175.359 175.359 175.234 0.125 25125 15818 1 24 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.785 -1.175 25125 15819 1 24 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.431 0.145 25125 15820 1 24 . 1 1 5 5 ILE H H 5 9.610 9.610 8.267 1.343 25125 15821 1 24 . 1 1 6 6 VAL N N 6 127.905 127.905 124.580 3.325 25125 15822 1 24 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.974 -0.162 25125 15823 1 24 . 1 1 6 6 VAL C C 6 174.204 174.204 175.776 -1.572 25125 15824 1 24 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.627 -1.069 25125 15825 1 24 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.636 0.890 25125 15826 1 24 . 1 1 6 6 VAL H H 6 9.090 9.090 8.171 0.919 25125 15827 1 24 . 1 1 7 7 TRP N N 7 127.467 127.467 128.981 -1.514 25125 15828 1 24 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.090 1.364 25125 15829 1 24 . 1 1 7 7 TRP C C 7 175.056 175.056 175.180 -0.124 25125 15830 1 24 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.839 -1.961 25125 15831 1 24 . 1 1 7 7 TRP CB C 7 33.134 33.134 30.377 2.757 25125 15832 1 24 . 1 1 7 7 TRP H H 7 8.497 8.497 8.533 -0.036 25125 15833 1 24 . 1 1 8 8 VAL N N 8 122.068 122.068 123.141 -1.073 25125 15834 1 24 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.703 0.383 25125 15835 1 24 . 1 1 8 8 VAL C C 8 173.874 173.874 174.974 -1.100 25125 15836 1 24 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.815 -0.329 25125 15837 1 24 . 1 1 8 8 VAL CB C 8 35.715 35.715 33.954 1.761 25125 15838 1 24 . 1 1 8 8 VAL H H 8 8.583 8.583 8.574 0.009 25125 15839 1 24 . 1 1 9 9 VAL N N 9 127.733 127.733 123.607 4.126 25125 15840 1 24 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.414 0.547 25125 15841 1 24 . 1 1 9 9 VAL C C 9 173.131 173.131 173.394 -0.263 25125 15842 1 24 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.566 -0.891 25125 15843 1 24 . 1 1 9 9 VAL CB C 9 32.911 32.911 34.250 -1.339 25125 15844 1 24 . 1 1 9 9 VAL H H 9 9.107 9.107 7.828 1.279 25125 15845 1 24 . 1 1 10 10 ASP N N 10 124.306 124.306 125.344 -1.038 25125 15846 1 24 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.805 -0.236 25125 15847 1 24 . 1 1 10 10 ASP C C 10 175.029 175.029 174.609 0.420 25125 15848 1 24 . 1 1 10 10 ASP CA C 10 54.747 54.747 55.696 -0.949 25125 15849 1 24 . 1 1 10 10 ASP CB C 10 44.109 44.109 42.079 2.030 25125 15850 1 24 . 1 1 10 10 ASP H H 10 7.775 7.775 8.291 -0.516 25125 15851 1 24 . 1 1 11 11 ASP N N 11 126.714 126.714 116.421 10.293 25125 15852 1 24 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.677 -0.142 25125 15853 1 24 . 1 1 11 11 ASP C C 11 175.689 175.689 174.466 1.223 25125 15854 1 24 . 1 1 11 11 ASP CA C 11 55.718 55.718 54.521 1.197 25125 15855 1 24 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.931 0.143 25125 15856 1 24 . 1 1 11 11 ASP H H 11 9.033 9.033 8.283 0.750 25125 15857 1 24 . 1 1 12 12 ASP N N 12 121.877 121.877 121.446 0.431 25125 15858 1 24 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.936 -0.290 25125 15859 1 24 . 1 1 12 12 ASP C C 12 177.036 177.036 177.288 -0.252 25125 15860 1 24 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.620 -0.317 25125 15861 1 24 . 1 1 12 12 ASP CB C 12 41.164 41.164 42.840 -1.676 25125 15862 1 24 . 1 1 12 12 ASP H H 12 9.570 9.570 7.969 1.601 25125 15863 1 24 . 1 1 13 13 SER N N 13 123.799 123.799 118.895 4.904 25125 15864 1 24 . 1 1 13 13 SER HA H 13 3.761 3.761 4.290 -0.529 25125 15865 1 24 . 1 1 13 13 SER C C 13 176.156 176.156 175.897 0.259 25125 15866 1 24 . 1 1 13 13 SER CA C 13 61.186 61.186 61.884 -0.698 25125 15867 1 24 . 1 1 13 13 SER CB C 13 62.749 62.749 63.246 -0.497 25125 15868 1 24 . 1 1 13 13 SER H H 13 8.850 8.850 8.805 0.045 25125 15869 1 24 . 1 1 14 14 SER N N 14 119.123 119.123 117.968 1.155 25125 15870 1 24 . 1 1 14 14 SER HA H 14 4.361 4.361 4.385 -0.024 25125 15871 1 24 . 1 1 14 14 SER C C 14 176.404 176.404 176.838 -0.434 25125 15872 1 24 . 1 1 14 14 SER CA C 14 61.730 61.730 61.231 0.499 25125 15873 1 24 . 1 1 14 14 SER CB C 14 62.548 62.548 62.366 0.182 25125 15874 1 24 . 1 1 14 14 SER H H 14 8.531 8.531 8.693 -0.162 25125 15875 1 24 . 1 1 15 15 ILE N N 15 123.637 123.637 121.037 2.600 25125 15876 1 24 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.964 -0.019 25125 15877 1 24 . 1 1 15 15 ILE C C 15 177.861 177.861 177.767 0.094 25125 15878 1 24 . 1 1 15 15 ILE CA C 15 61.200 61.200 62.830 -1.630 25125 15879 1 24 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.205 -1.319 25125 15880 1 24 . 1 1 15 15 ILE H H 15 7.206 7.206 8.151 -0.945 25125 15881 1 24 . 1 1 16 16 ARG N N 16 116.694 116.694 119.149 -2.455 25125 15882 1 24 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.236 -0.513 25125 15883 1 24 . 1 1 16 16 ARG C C 16 177.448 177.448 178.316 -0.868 25125 15884 1 24 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.822 2.751 25125 15885 1 24 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.720 0.727 25125 15886 1 24 . 1 1 16 16 ARG H H 16 7.562 7.562 7.370 0.192 25125 15887 1 24 . 1 1 17 17 TRP N N 17 116.848 116.848 123.161 -6.313 25125 15888 1 24 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.334 0.137 25125 15889 1 24 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.691 -1.251 25125 15890 1 24 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.771 -0.479 25125 15891 1 24 . 1 1 17 17 TRP H H 17 8.005 8.005 8.724 -0.719 25125 15892 1 24 . 1 1 18 18 VAL N N 18 116.964 116.964 116.235 0.729 25125 15893 1 24 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.833 0.842 25125 15894 1 24 . 1 1 18 18 VAL C C 18 179.181 179.181 177.704 1.477 25125 15895 1 24 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.509 0.199 25125 15896 1 24 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.569 1.068 25125 15897 1 24 . 1 1 18 18 VAL H H 18 8.110 8.110 7.754 0.356 25125 15898 1 24 . 1 1 19 19 LEU N N 19 120.186 120.186 119.316 0.870 25125 15899 1 24 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.191 -0.116 25125 15900 1 24 . 1 1 19 19 LEU C C 19 177.778 177.778 178.978 -1.200 25125 15901 1 24 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.043 0.779 25125 15902 1 24 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.657 0.124 25125 15903 1 24 . 1 1 19 19 LEU H H 19 8.073 8.073 7.327 0.746 25125 15904 1 24 . 1 1 20 20 GLU N N 20 120.193 120.193 120.227 -0.034 25125 15905 1 24 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.106 -0.165 25125 15906 1 24 . 1 1 20 20 GLU C C 20 178.603 178.603 179.041 -0.438 25125 15907 1 24 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.273 1.337 25125 15908 1 24 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.799 -0.711 25125 15909 1 24 . 1 1 20 20 GLU H H 20 8.387 8.387 8.059 0.328 25125 15910 1 24 . 1 1 21 21 ARG N N 21 116.076 116.076 117.291 -1.215 25125 15911 1 24 . 1 1 21 21 ARG HA H 21 3.893 3.893 4.150 -0.257 25125 15912 1 24 . 1 1 21 21 ARG C C 21 179.676 179.676 177.971 1.705 25125 15913 1 24 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.205 0.244 25125 15914 1 24 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.354 0.499 25125 15915 1 24 . 1 1 21 21 ARG H H 21 7.602 7.602 8.391 -0.789 25125 15916 1 24 . 1 1 22 22 ALA N N 22 122.405 122.405 123.087 -0.682 25125 15917 1 24 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.007 0.090 25125 15918 1 24 . 1 1 22 22 ALA C C 22 180.501 180.501 179.485 1.016 25125 15919 1 24 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.755 -0.177 25125 15920 1 24 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.156 1.076 25125 15921 1 24 . 1 1 22 22 ALA H H 22 7.992 7.992 7.390 0.602 25125 15922 1 24 . 1 1 23 23 LEU N N 23 118.026 118.026 116.639 1.387 25125 15923 1 24 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.064 -0.063 25125 15924 1 24 . 1 1 23 23 LEU C C 23 178.878 178.878 178.741 0.137 25125 15925 1 24 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.410 1.311 25125 15926 1 24 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.706 -2.051 25125 15927 1 24 . 1 1 23 23 LEU H H 23 8.825 8.825 7.546 1.279 25125 15928 1 24 . 1 1 24 24 ALA N N 24 122.159 122.159 122.111 0.048 25125 15929 1 24 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.002 0.631 25125 15930 1 24 . 1 1 24 24 ALA C C 24 183.141 183.141 179.219 3.922 25125 15931 1 24 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.627 0.120 25125 15932 1 24 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.278 -0.576 25125 15933 1 24 . 1 1 24 24 ALA H H 24 8.125 8.125 7.395 0.730 25125 15934 1 24 . 1 1 25 25 GLY N N 25 106.891 106.891 104.402 2.489 25125 15935 1 24 . 1 1 25 25 GLY C C 25 174.286 174.286 174.508 -0.222 25125 15936 1 24 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.282 1.139 25125 15937 1 24 . 1 1 25 25 GLY H H 25 7.870 7.870 7.869 0.001 25125 15938 1 24 . 1 1 26 26 ALA N N 26 121.819 121.819 123.649 -1.830 25125 15939 1 24 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.577 -0.078 25125 15940 1 24 . 1 1 26 26 ALA C C 26 176.953 176.953 177.604 -0.651 25125 15941 1 24 . 1 1 26 26 ALA CA C 26 51.519 51.519 52.684 -1.165 25125 15942 1 24 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.082 -1.360 25125 15943 1 24 . 1 1 26 26 ALA H H 26 7.285 7.285 7.632 -0.347 25125 15944 1 24 . 1 1 27 27 GLY N N 27 106.197 106.197 105.700 0.497 25125 15945 1 24 . 1 1 27 27 GLY C C 27 173.956 173.956 172.497 1.459 25125 15946 1 24 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.333 -0.017 25125 15947 1 24 . 1 1 27 27 GLY H H 27 7.824 7.824 7.934 -0.110 25125 15948 1 24 . 1 1 28 28 LEU N N 28 120.291 120.291 118.888 1.403 25125 15949 1 24 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.757 -0.182 25125 15950 1 24 . 1 1 28 28 LEU C C 28 175.881 175.881 175.982 -0.101 25125 15951 1 24 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.328 0.315 25125 15952 1 24 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.320 -1.835 25125 15953 1 24 . 1 1 28 28 LEU H H 28 7.678 7.678 7.444 0.234 25125 15954 1 24 . 1 1 29 29 THR N N 29 118.040 118.040 115.614 2.426 25125 15955 1 24 . 1 1 29 29 THR HA H 29 4.335 4.335 4.383 -0.048 25125 15956 1 24 . 1 1 29 29 THR C C 29 173.186 173.186 173.834 -0.648 25125 15957 1 24 . 1 1 29 29 THR CA C 29 62.479 62.479 63.618 -1.139 25125 15958 1 24 . 1 1 29 29 THR CB C 29 69.465 69.465 69.568 -0.103 25125 15959 1 24 . 1 1 29 29 THR H H 29 8.527 8.527 8.592 -0.065 25125 15960 1 24 . 1 1 30 30 CYS N N 30 128.387 128.387 122.072 6.315 25125 15961 1 24 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.618 0.325 25125 15962 1 24 . 1 1 30 30 CYS C C 30 173.846 173.846 174.098 -0.252 25125 15963 1 24 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.499 -1.137 25125 15964 1 24 . 1 1 30 30 CYS CB C 30 29.480 29.480 31.045 -1.565 25125 15965 1 24 . 1 1 30 30 CYS H H 30 8.968 8.968 8.825 0.143 25125 15966 1 24 . 1 1 31 31 THR N N 31 126.481 126.481 124.602 1.879 25125 15967 1 24 . 1 1 31 31 THR HA H 31 4.433 4.433 4.499 -0.066 25125 15968 1 24 . 1 1 31 31 THR C C 31 172.609 172.609 173.085 -0.476 25125 15969 1 24 . 1 1 31 31 THR CA C 31 61.951 61.951 61.666 0.285 25125 15970 1 24 . 1 1 31 31 THR CB C 31 70.567 70.567 70.322 0.245 25125 15971 1 24 . 1 1 31 31 THR H H 31 8.614 8.614 8.428 0.186 25125 15972 1 24 . 1 1 32 32 THR N N 32 116.418 116.418 118.444 -2.026 25125 15973 1 24 . 1 1 32 32 THR HA H 32 5.330 5.330 5.195 0.135 25125 15974 1 24 . 1 1 32 32 THR C C 32 172.306 172.306 173.497 -1.191 25125 15975 1 24 . 1 1 32 32 THR CA C 32 59.173 59.173 60.248 -1.075 25125 15976 1 24 . 1 1 32 32 THR CB C 32 70.917 70.917 69.987 0.929 25125 15977 1 24 . 1 1 32 32 THR H H 32 8.299 8.299 8.311 -0.012 25125 15978 1 24 . 1 1 33 33 PHE N N 33 118.067 118.067 127.594 -9.527 25125 15979 1 24 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.584 0.059 25125 15980 1 24 . 1 1 33 33 PHE C C 33 174.341 174.341 176.393 -2.052 25125 15981 1 24 . 1 1 33 33 PHE CA C 33 56.532 56.532 58.246 -1.714 25125 15982 1 24 . 1 1 33 33 PHE CB C 33 43.309 43.309 39.901 3.408 25125 15983 1 24 . 1 1 33 33 PHE H H 33 8.890 8.890 8.475 0.415 25125 15984 1 24 . 1 1 34 34 GLU N N 34 118.499 118.499 112.004 6.495 25125 15985 1 24 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.287 0.067 25125 15986 1 24 . 1 1 34 34 GLU C C 34 175.414 175.414 174.462 0.952 25125 15987 1 24 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.607 0.085 25125 15988 1 24 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.017 1.450 25125 15989 1 24 . 1 1 34 34 GLU H H 34 9.023 9.023 8.587 0.436 25125 15990 1 24 . 1 1 35 35 ASN N N 35 109.907 109.907 118.128 -8.221 25125 15991 1 24 . 1 1 35 35 ASN HA H 35 4.781 4.781 5.018 -0.237 25125 15992 1 24 . 1 1 35 35 ASN C C 35 175.139 175.139 176.812 -1.673 25125 15993 1 24 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.259 -0.113 25125 15994 1 24 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.972 0.351 25125 15995 1 24 . 1 1 35 35 ASN H H 35 7.401 7.401 7.969 -0.568 25125 15996 1 24 . 1 1 36 36 GLY N N 36 106.739 106.739 109.667 -2.928 25125 15997 1 24 . 1 1 36 36 GLY C C 36 174.616 174.616 175.576 -0.960 25125 15998 1 24 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.965 0.050 25125 15999 1 24 . 1 1 36 36 GLY H H 36 8.877 8.877 8.951 -0.074 25125 16000 1 24 . 1 1 37 37 ASN N N 37 120.462 120.462 118.592 1.870 25125 16001 1 24 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.507 -0.145 25125 16002 1 24 . 1 1 37 37 ASN C C 37 178.686 178.686 177.211 1.475 25125 16003 1 24 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.678 0.854 25125 16004 1 24 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.209 -0.625 25125 16005 1 24 . 1 1 37 37 ASN H H 37 8.366 8.366 8.729 -0.363 25125 16006 1 24 . 1 1 38 38 GLU N N 38 119.360 119.360 117.785 1.575 25125 16007 1 24 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.239 -0.169 25125 16008 1 24 . 1 1 38 38 GLU C C 38 179.263 179.263 177.357 1.906 25125 16009 1 24 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.146 1.486 25125 16010 1 24 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.391 1.141 25125 16011 1 24 . 1 1 38 38 GLU H H 38 7.990 7.990 7.520 0.470 25125 16012 1 24 . 1 1 39 39 VAL N N 39 119.259 119.259 119.447 -0.188 25125 16013 1 24 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.156 -0.388 25125 16014 1 24 . 1 1 39 39 VAL C C 39 176.431 176.431 177.354 -0.923 25125 16015 1 24 . 1 1 39 39 VAL CA C 39 64.943 64.943 63.409 1.534 25125 16016 1 24 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.735 -0.660 25125 16017 1 24 . 1 1 39 39 VAL H H 39 6.883 6.883 7.700 -0.817 25125 16018 1 24 . 1 1 40 40 LEU N N 40 119.627 119.627 121.223 -1.596 25125 16019 1 24 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.993 -0.066 25125 16020 1 24 . 1 1 40 40 LEU C C 40 179.538 179.538 178.151 1.387 25125 16021 1 24 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.269 -0.329 25125 16022 1 24 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.328 -0.260 25125 16023 1 24 . 1 1 40 40 LEU H H 40 7.692 7.692 7.998 -0.306 25125 16024 1 24 . 1 1 41 41 ALA N N 41 120.051 120.051 119.982 0.069 25125 16025 1 24 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.063 0.077 25125 16026 1 24 . 1 1 41 41 ALA C C 41 180.528 180.528 179.385 1.143 25125 16027 1 24 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.701 -0.051 25125 16028 1 24 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.884 -0.018 25125 16029 1 24 . 1 1 41 41 ALA H H 41 7.553 7.553 7.674 -0.121 25125 16030 1 24 . 1 1 42 42 ALA N N 42 122.731 122.731 121.611 1.120 25125 16031 1 24 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.088 0.111 25125 16032 1 24 . 1 1 42 42 ALA C C 42 180.198 180.198 180.317 -0.119 25125 16033 1 24 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.358 0.674 25125 16034 1 24 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.031 1.368 25125 16035 1 24 . 1 1 42 42 ALA H H 42 7.604 7.604 7.105 0.499 25125 16036 1 24 . 1 1 43 43 LEU N N 43 119.131 119.131 119.041 0.090 25125 16037 1 24 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.041 1.165 25125 16038 1 24 . 1 1 43 43 LEU C C 43 177.421 177.421 178.637 -1.216 25125 16039 1 24 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.587 -2.042 25125 16040 1 24 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.403 1.201 25125 16041 1 24 . 1 1 43 43 LEU H H 43 8.288 8.288 7.849 0.439 25125 16042 1 24 . 1 1 44 44 ALA N N 44 119.065 119.065 118.488 0.577 25125 16043 1 24 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.125 0.104 25125 16044 1 24 . 1 1 44 44 ALA C C 44 178.686 178.686 178.959 -0.273 25125 16045 1 24 . 1 1 44 44 ALA CA C 44 54.238 54.238 54.215 0.023 25125 16046 1 24 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.475 0.041 25125 16047 1 24 . 1 1 44 44 ALA H H 44 7.302 7.302 7.933 -0.631 25125 16048 1 24 . 1 1 45 45 SER N N 45 108.656 108.656 113.296 -4.640 25125 16049 1 24 . 1 1 45 45 SER HA H 45 4.742 4.742 4.454 0.288 25125 16050 1 24 . 1 1 45 45 SER C C 45 173.296 173.296 174.212 -0.916 25125 16051 1 24 . 1 1 45 45 SER CA C 45 58.656 58.656 59.751 -1.095 25125 16052 1 24 . 1 1 45 45 SER CB C 45 65.407 65.407 64.078 1.329 25125 16053 1 24 . 1 1 45 45 SER H H 45 7.728 7.728 8.173 -0.445 25125 16054 1 24 . 1 1 46 46 LYS N N 46 123.016 123.016 118.518 4.498 25125 16055 1 24 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.486 0.100 25125 16056 1 24 . 1 1 46 46 LYS C C 46 172.719 172.719 175.080 -2.361 25125 16057 1 24 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.183 -0.671 25125 16058 1 24 . 1 1 46 46 LYS CB C 46 36.225 36.225 33.036 3.189 25125 16059 1 24 . 1 1 46 46 LYS H H 46 8.101 8.101 7.662 0.439 25125 16060 1 24 . 1 1 47 47 THR N N 47 111.780 111.780 119.450 -7.670 25125 16061 1 24 . 1 1 47 47 THR HA H 47 4.282 4.282 4.100 0.182 25125 16062 1 24 . 1 1 47 47 THR CA C 47 57.806 57.806 61.717 -3.911 25125 16063 1 24 . 1 1 47 47 THR CB C 47 70.594 70.594 68.376 2.218 25125 16064 1 24 . 1 1 47 47 THR H H 47 7.677 7.677 8.034 -0.357 25125 16065 1 24 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.862 0.043 25125 16066 1 24 . 1 1 48 48 PRO C C 48 172.966 172.966 175.398 -2.432 25125 16067 1 24 . 1 1 48 48 PRO CA C 48 60.865 60.865 61.907 -1.042 25125 16068 1 24 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.823 -1.546 25125 16069 1 24 . 1 1 49 49 ASP N N 49 115.035 115.035 118.643 -3.608 25125 16070 1 24 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.654 -0.210 25125 16071 1 24 . 1 1 49 49 ASP C C 49 175.634 175.634 175.452 0.182 25125 16072 1 24 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.853 1.594 25125 16073 1 24 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.832 -1.320 25125 16074 1 24 . 1 1 49 49 ASP H H 49 8.502 8.502 8.021 0.481 25125 16075 1 24 . 1 1 50 50 VAL N N 50 112.082 112.082 116.240 -4.158 25125 16076 1 24 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.500 -0.220 25125 16077 1 24 . 1 1 50 50 VAL C C 50 171.454 171.454 172.867 -1.413 25125 16078 1 24 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.957 -1.395 25125 16079 1 24 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.496 0.140 25125 16080 1 24 . 1 1 50 50 VAL H H 50 7.173 7.173 7.141 0.032 25125 16081 1 24 . 1 1 51 51 LEU N N 51 128.247 128.247 126.967 1.280 25125 16082 1 24 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.337 -0.018 25125 16083 1 24 . 1 1 51 51 LEU C C 51 173.104 173.104 175.125 -2.021 25125 16084 1 24 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.452 -0.234 25125 16085 1 24 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.115 0.391 25125 16086 1 24 . 1 1 51 51 LEU H H 51 8.059 8.059 7.938 0.121 25125 16087 1 24 . 1 1 52 52 LEU N N 52 128.407 128.407 121.971 6.436 25125 16088 1 24 . 1 1 52 52 LEU HA H 52 5.501 5.501 4.932 0.569 25125 16089 1 24 . 1 1 52 52 LEU C C 52 175.414 175.414 175.485 -0.071 25125 16090 1 24 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.706 -0.383 25125 16091 1 24 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.416 1.105 25125 16092 1 24 . 1 1 52 52 LEU H H 52 9.242 9.242 8.453 0.789 25125 16093 1 24 . 1 1 53 53 SER N N 53 114.946 114.946 118.070 -3.124 25125 16094 1 24 . 1 1 53 53 SER HA H 53 5.595 5.595 5.220 0.375 25125 16095 1 24 . 1 1 53 53 SER C C 53 174.644 174.644 173.987 0.657 25125 16096 1 24 . 1 1 53 53 SER CA C 53 55.954 55.954 58.084 -2.130 25125 16097 1 24 . 1 1 53 53 SER CB C 53 66.473 66.473 64.989 1.484 25125 16098 1 24 . 1 1 53 53 SER H H 53 8.695 8.695 7.956 0.739 25125 16099 1 24 . 1 1 54 54 ASP N N 54 128.341 128.341 124.234 4.107 25125 16100 1 24 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.872 0.453 25125 16101 1 24 . 1 1 54 54 ASP C C 54 176.816 176.816 175.855 0.961 25125 16102 1 24 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.755 0.738 25125 16103 1 24 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.906 -0.578 25125 16104 1 24 . 1 1 54 54 ASP H H 54 7.886 7.886 8.131 -0.245 25125 16105 1 24 . 1 1 55 55 ILE N N 55 121.229 121.229 118.880 2.349 25125 16106 1 24 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.742 0.443 25125 16107 1 24 . 1 1 55 55 ILE C C 55 175.084 175.084 174.470 0.614 25125 16108 1 24 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.165 -0.623 25125 16109 1 24 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.165 2.864 25125 16110 1 24 . 1 1 55 55 ILE H H 55 8.722 8.722 7.397 1.325 25125 16111 1 24 . 1 1 56 56 ARG N N 56 124.188 124.188 124.489 -0.301 25125 16112 1 24 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.565 -0.060 25125 16113 1 24 . 1 1 56 56 ARG C C 56 175.661 175.661 174.952 0.709 25125 16114 1 24 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.766 -0.325 25125 16115 1 24 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.308 -0.946 25125 16116 1 24 . 1 1 56 56 ARG H H 56 8.499 8.499 8.489 0.010 25125 16117 1 24 . 1 1 57 57 MET N N 57 122.581 122.581 119.255 3.326 25125 16118 1 24 . 1 1 57 57 MET HA H 57 4.821 4.821 5.005 -0.184 25125 16119 1 24 . 1 1 57 57 MET CA C 57 53.132 53.132 51.973 1.159 25125 16120 1 24 . 1 1 57 57 MET CB C 57 33.445 33.445 32.730 0.715 25125 16121 1 24 . 1 1 57 57 MET H H 57 7.956 7.956 8.003 -0.047 25125 16122 1 24 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.448 -0.055 25125 16123 1 24 . 1 1 58 58 PRO C C 58 177.806 177.806 177.432 0.374 25125 16124 1 24 . 1 1 58 58 PRO CA C 58 63.499 63.499 65.156 -1.657 25125 16125 1 24 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.792 0.015 25125 16126 1 24 . 1 1 59 59 GLY N N 59 111.082 111.082 108.177 2.905 25125 16127 1 24 . 1 1 59 59 GLY C C 59 173.626 173.626 174.081 -0.455 25125 16128 1 24 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.034 0.556 25125 16129 1 24 . 1 1 59 59 GLY H H 59 8.653 8.653 7.953 0.700 25125 16130 1 24 . 1 1 60 60 MET N N 60 120.052 120.052 121.003 -0.951 25125 16131 1 24 . 1 1 60 60 MET HA H 60 4.525 4.525 4.381 0.144 25125 16132 1 24 . 1 1 60 60 MET C C 60 173.956 173.956 175.179 -1.223 25125 16133 1 24 . 1 1 60 60 MET CA C 60 55.047 55.047 56.109 -1.062 25125 16134 1 24 . 1 1 60 60 MET CB C 60 34.506 34.506 32.907 1.599 25125 16135 1 24 . 1 1 60 60 MET H H 60 7.968 7.968 7.988 -0.020 25125 16136 1 24 . 1 1 61 61 ASP N N 61 121.306 121.306 122.245 -0.939 25125 16137 1 24 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.735 -0.031 25125 16138 1 24 . 1 1 61 61 ASP C C 61 176.761 176.761 177.382 -0.621 25125 16139 1 24 . 1 1 61 61 ASP CA C 61 53.729 53.729 53.715 0.014 25125 16140 1 24 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.213 0.856 25125 16141 1 24 . 1 1 61 61 ASP H H 61 8.379 8.379 8.728 -0.349 25125 16142 1 24 . 1 1 62 62 GLY N N 62 110.874 110.874 108.274 2.600 25125 16143 1 24 . 1 1 62 62 GLY C C 62 175.194 175.194 175.710 -0.516 25125 16144 1 24 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.696 0.406 25125 16145 1 24 . 1 1 62 62 GLY H H 62 8.707 8.707 8.308 0.399 25125 16146 1 24 . 1 1 63 63 LEU N N 63 121.299 121.299 124.184 -2.885 25125 16147 1 24 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.020 0.157 25125 16148 1 24 . 1 1 63 63 LEU C C 63 178.356 178.356 178.874 -0.518 25125 16149 1 24 . 1 1 63 63 LEU CA C 63 56.878 56.878 57.897 -1.019 25125 16150 1 24 . 1 1 63 63 LEU CB C 63 41.238 41.238 41.221 0.017 25125 16151 1 24 . 1 1 63 63 LEU H H 63 8.045 8.045 7.916 0.129 25125 16152 1 24 . 1 1 64 64 ALA N N 64 122.741 122.741 121.789 0.952 25125 16153 1 24 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.031 0.031 25125 16154 1 24 . 1 1 64 64 ALA C C 64 180.556 180.556 179.073 1.483 25125 16155 1 24 . 1 1 64 64 ALA CA C 64 54.615 54.615 54.977 -0.362 25125 16156 1 24 . 1 1 64 64 ALA CB C 64 18.000 18.000 18.167 -0.167 25125 16157 1 24 . 1 1 64 64 ALA H H 64 7.859 7.859 8.242 -0.383 25125 16158 1 24 . 1 1 65 65 LEU N N 65 120.287 120.287 115.483 4.804 25125 16159 1 24 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.309 -0.247 25125 16160 1 24 . 1 1 65 65 LEU C C 65 178.191 178.191 178.874 -0.683 25125 16161 1 24 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.988 1.031 25125 16162 1 24 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.075 -0.838 25125 16163 1 24 . 1 1 65 65 LEU H H 65 8.022 8.022 7.385 0.637 25125 16164 1 24 . 1 1 66 66 LEU N N 66 118.738 118.738 120.824 -2.086 25125 16165 1 24 . 1 1 66 66 LEU HA H 66 3.858 3.858 3.911 -0.053 25125 16166 1 24 . 1 1 66 66 LEU C C 66 178.631 178.631 178.976 -0.345 25125 16167 1 24 . 1 1 66 66 LEU CA C 66 58.346 58.346 58.808 -0.462 25125 16168 1 24 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.706 -0.468 25125 16169 1 24 . 1 1 66 66 LEU H H 66 8.101 8.101 8.767 -0.666 25125 16170 1 24 . 1 1 67 67 LYS N N 67 117.842 117.842 117.153 0.689 25125 16171 1 24 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.001 -0.019 25125 16172 1 24 . 1 1 67 67 LYS C C 67 179.263 179.263 179.197 0.066 25125 16173 1 24 . 1 1 67 67 LYS CA C 67 59.797 59.797 59.251 0.546 25125 16174 1 24 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.990 0.217 25125 16175 1 24 . 1 1 67 67 LYS H H 67 8.010 8.010 8.372 -0.362 25125 16176 1 24 . 1 1 68 68 GLN N N 68 118.875 118.875 118.293 0.582 25125 16177 1 24 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.260 -0.204 25125 16178 1 24 . 1 1 68 68 GLN C C 68 179.071 179.071 177.974 1.097 25125 16179 1 24 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.283 0.790 25125 16180 1 24 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.489 0.122 25125 16181 1 24 . 1 1 68 68 GLN H H 68 7.809 7.809 7.416 0.393 25125 16182 1 24 . 1 1 69 69 ILE N N 69 120.377 120.377 122.470 -2.093 25125 16183 1 24 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.940 -0.410 25125 16184 1 24 . 1 1 69 69 ILE C C 69 177.421 177.421 178.337 -0.916 25125 16185 1 24 . 1 1 69 69 ILE CA C 69 65.878 65.878 65.269 0.609 25125 16186 1 24 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.902 -0.318 25125 16187 1 24 . 1 1 69 69 ILE H H 69 8.481 8.481 8.327 0.154 25125 16188 1 24 . 1 1 70 70 LYS N N 70 117.873 117.873 118.921 -1.048 25125 16189 1 24 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.164 -0.204 25125 16190 1 24 . 1 1 70 70 LYS C C 70 178.053 178.053 178.418 -0.365 25125 16191 1 24 . 1 1 70 70 LYS CA C 70 57.088 57.088 59.215 -2.127 25125 16192 1 24 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.364 -1.152 25125 16193 1 24 . 1 1 70 70 LYS H H 70 8.220 8.220 7.846 0.374 25125 16194 1 24 . 1 1 71 71 GLN N N 71 116.315 116.315 118.073 -1.758 25125 16195 1 24 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.144 -0.152 25125 16196 1 24 . 1 1 71 71 GLN C C 71 177.366 177.366 177.849 -0.483 25125 16197 1 24 . 1 1 71 71 GLN CA C 71 58.190 58.190 58.299 -0.109 25125 16198 1 24 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.148 -0.483 25125 16199 1 24 . 1 1 71 71 GLN H H 71 7.601 7.601 7.512 0.089 25125 16200 1 24 . 1 1 72 72 ARG N N 72 116.530 116.530 117.995 -1.465 25125 16201 1 24 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.098 -0.068 25125 16202 1 24 . 1 1 72 72 ARG C C 72 175.826 175.826 176.165 -0.339 25125 16203 1 24 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.283 -0.061 25125 16204 1 24 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.263 0.539 25125 16205 1 24 . 1 1 72 72 ARG H H 72 7.301 7.301 8.069 -0.768 25125 16206 1 24 . 1 1 73 73 HIS N N 73 116.755 116.755 117.618 -0.863 25125 16207 1 24 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.939 0.021 25125 16208 1 24 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.072 0.146 25125 16209 1 24 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.291 0.271 25125 16210 1 24 . 1 1 73 73 HIS H H 73 8.331 8.331 7.732 0.599 25125 16211 1 24 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.461 0.038 25125 16212 1 24 . 1 1 74 74 PRO C C 74 178.466 178.466 177.234 1.232 25125 16213 1 24 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.572 0.541 25125 16214 1 24 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.192 -0.097 25125 16215 1 24 . 1 1 75 75 MET N N 75 114.814 114.814 112.871 1.943 25125 16216 1 24 . 1 1 75 75 MET HA H 75 4.567 4.567 4.705 -0.138 25125 16217 1 24 . 1 1 75 75 MET C C 75 176.046 176.046 175.283 0.763 25125 16218 1 24 . 1 1 75 75 MET CA C 75 54.266 54.266 55.483 -1.216 25125 16219 1 24 . 1 1 75 75 MET CB C 75 31.288 31.288 33.096 -1.808 25125 16220 1 24 . 1 1 75 75 MET H H 75 8.623 8.623 7.720 0.903 25125 16221 1 24 . 1 1 76 76 LEU N N 76 125.533 125.533 124.764 0.769 25125 16222 1 24 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.658 -0.353 25125 16223 1 24 . 1 1 76 76 LEU CA C 76 53.112 53.112 52.130 0.982 25125 16224 1 24 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.131 0.554 25125 16225 1 24 . 1 1 76 76 LEU H H 76 7.337 7.337 7.284 0.053 25125 16226 1 24 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.533 -0.087 25125 16227 1 24 . 1 1 77 77 PRO C C 77 174.974 174.974 175.105 -0.131 25125 16228 1 24 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.379 0.448 25125 16229 1 24 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.516 -0.794 25125 16230 1 24 . 1 1 78 78 VAL N N 78 123.779 123.779 119.702 4.077 25125 16231 1 24 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.760 0.264 25125 16232 1 24 . 1 1 78 78 VAL C C 78 175.441 175.441 175.191 0.250 25125 16233 1 24 . 1 1 78 78 VAL CA C 78 60.193 60.193 61.260 -1.067 25125 16234 1 24 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.706 -2.412 25125 16235 1 24 . 1 1 78 78 VAL H H 78 8.317 8.317 8.185 0.132 25125 16236 1 24 . 1 1 79 79 ILE N N 79 128.334 128.334 122.167 6.167 25125 16237 1 24 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.743 -0.262 25125 16238 1 24 . 1 1 79 79 ILE C C 79 174.479 174.479 174.549 -0.070 25125 16239 1 24 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.076 -0.554 25125 16240 1 24 . 1 1 79 79 ILE CB C 79 39.963 39.963 42.005 -2.042 25125 16241 1 24 . 1 1 79 79 ILE H H 79 9.292 9.292 8.167 1.125 25125 16242 1 24 . 1 1 80 80 ILE N N 80 127.023 127.023 124.151 2.872 25125 16243 1 24 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.309 0.550 25125 16244 1 24 . 1 1 80 80 ILE C C 80 175.029 175.029 174.901 0.128 25125 16245 1 24 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.587 -1.430 25125 16246 1 24 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.347 -1.403 25125 16247 1 24 . 1 1 80 80 ILE H H 80 7.938 7.938 8.718 -0.780 25125 16248 1 24 . 1 1 81 81 MET N N 81 127.255 127.255 125.310 1.945 25125 16249 1 24 . 1 1 81 81 MET HA H 81 5.521 5.521 5.572 -0.051 25125 16250 1 24 . 1 1 81 81 MET C C 81 174.534 174.534 175.513 -0.979 25125 16251 1 24 . 1 1 81 81 MET CA C 81 53.513 53.513 55.020 -1.507 25125 16252 1 24 . 1 1 81 81 MET CB C 81 35.483 35.483 35.597 -0.114 25125 16253 1 24 . 1 1 81 81 MET H H 81 8.801 8.801 8.192 0.609 25125 16254 1 24 . 1 1 82 82 THR N N 82 112.857 112.857 118.603 -5.746 25125 16255 1 24 . 1 1 82 82 THR HA H 82 4.914 4.914 4.499 0.415 25125 16256 1 24 . 1 1 82 82 THR C C 82 172.581 172.581 173.285 -0.704 25125 16257 1 24 . 1 1 82 82 THR CA C 82 59.561 59.561 63.413 -3.852 25125 16258 1 24 . 1 1 82 82 THR CB C 82 69.989 69.989 69.792 0.197 25125 16259 1 24 . 1 1 82 82 THR H H 82 7.623 7.623 8.266 -0.643 25125 16260 1 24 . 1 1 83 83 ALA N N 83 129.541 129.541 126.113 3.428 25125 16261 1 24 . 1 1 83 83 ALA HA H 83 4.708 4.708 4.011 0.697 25125 16262 1 24 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.829 -1.291 25125 16263 1 24 . 1 1 83 83 ALA CB C 83 19.147 19.147 16.850 2.297 25125 16264 1 24 . 1 1 83 83 ALA H H 83 9.149 9.149 8.331 0.818 25125 16265 1 24 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.559 -0.287 25125 16266 1 24 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.061 3.639 25125 16267 1 24 . 1 1 84 84 HIS CB C 84 30.018 30.018 31.030 -1.012 25125 16268 1 24 . 1 1 85 85 SER N N 85 112.633 112.633 114.057 -1.424 25125 16269 1 24 . 1 1 85 85 SER HA H 85 4.198 4.198 4.449 -0.251 25125 16270 1 24 . 1 1 85 85 SER C C 85 174.506 174.506 173.215 1.291 25125 16271 1 24 . 1 1 85 85 SER CA C 85 59.823 59.823 59.192 0.631 25125 16272 1 24 . 1 1 85 85 SER CB C 85 62.693 62.693 64.092 -1.399 25125 16273 1 24 . 1 1 85 85 SER H H 85 8.224 8.224 7.183 1.041 25125 16274 1 24 . 1 1 86 86 ASP N N 86 120.886 120.886 120.164 0.722 25125 16275 1 24 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.615 0.321 25125 16276 1 24 . 1 1 86 86 ASP C C 86 175.881 175.881 176.508 -0.627 25125 16277 1 24 . 1 1 86 86 ASP CA C 86 53.934 53.934 54.768 -0.834 25125 16278 1 24 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.686 0.317 25125 16279 1 24 . 1 1 86 86 ASP H H 86 7.608 7.608 8.072 -0.464 25125 16280 1 24 . 1 1 87 87 LEU N N 87 121.913 121.913 121.034 0.879 25125 16281 1 24 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.544 0.375 25125 16282 1 24 . 1 1 87 87 LEU C C 87 177.586 177.586 178.026 -0.440 25125 16283 1 24 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.650 -0.813 25125 16284 1 24 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.452 0.863 25125 16285 1 24 . 1 1 87 87 LEU H H 87 7.498 7.498 8.111 -0.613 25125 16286 1 24 . 1 1 88 88 ASP N N 88 117.621 117.621 117.373 0.248 25125 16287 1 24 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.200 0.072 25125 16288 1 24 . 1 1 88 88 ASP C C 88 178.246 178.246 177.386 0.860 25125 16289 1 24 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.333 -0.523 25125 16290 1 24 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.394 -0.260 25125 16291 1 24 . 1 1 88 88 ASP H H 88 8.322 8.322 8.485 -0.163 25125 16292 1 24 . 1 1 89 89 ALA N N 89 122.874 122.874 120.960 1.914 25125 16293 1 24 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.348 -0.254 25125 16294 1 24 . 1 1 89 89 ALA C C 89 179.346 179.346 179.374 -0.028 25125 16295 1 24 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.419 -0.266 25125 16296 1 24 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.699 -0.438 25125 16297 1 24 . 1 1 89 89 ALA H H 89 7.838 7.838 7.579 0.259 25125 16298 1 24 . 1 1 90 90 ALA N N 90 121.673 121.673 122.075 -0.402 25125 16299 1 24 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.055 -0.122 25125 16300 1 24 . 1 1 90 90 ALA C C 90 178.686 178.686 179.814 -1.128 25125 16301 1 24 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.962 -0.299 25125 16302 1 24 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.980 0.402 25125 16303 1 24 . 1 1 90 90 ALA H H 90 7.896 7.896 8.296 -0.400 25125 16304 1 24 . 1 1 91 91 VAL N N 91 117.749 117.749 117.679 0.070 25125 16305 1 24 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.001 -0.389 25125 16306 1 24 . 1 1 91 91 VAL C C 91 178.411 178.411 177.367 1.044 25125 16307 1 24 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.595 -1.414 25125 16308 1 24 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.875 -0.238 25125 16309 1 24 . 1 1 91 91 VAL H H 91 8.098 8.098 8.455 -0.357 25125 16310 1 24 . 1 1 92 92 SER N N 92 114.942 114.942 113.862 1.080 25125 16311 1 24 . 1 1 92 92 SER HA H 92 4.231 4.231 4.474 -0.243 25125 16312 1 24 . 1 1 92 92 SER C C 92 175.826 175.826 175.112 0.714 25125 16313 1 24 . 1 1 92 92 SER CA C 92 60.649 60.649 60.129 0.520 25125 16314 1 24 . 1 1 92 92 SER CB C 92 63.063 63.063 64.311 -1.248 25125 16315 1 24 . 1 1 92 92 SER H H 92 7.825 7.825 7.880 -0.055 25125 16316 1 24 . 1 1 93 93 ALA N N 93 122.580 122.580 122.734 -0.154 25125 16317 1 24 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.133 -0.076 25125 16318 1 24 . 1 1 93 93 ALA C C 93 178.906 178.906 179.445 -0.539 25125 16319 1 24 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.665 -0.348 25125 16320 1 24 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.775 -0.478 25125 16321 1 24 . 1 1 93 93 ALA H H 93 7.861 7.861 8.380 -0.519 25125 16322 1 24 . 1 1 94 94 TYR N N 94 118.447 118.447 120.674 -2.227 25125 16323 1 24 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.284 0.208 25125 16324 1 24 . 1 1 94 94 TYR C C 94 177.393 177.393 177.467 -0.074 25125 16325 1 24 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.932 -0.681 25125 16326 1 24 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.391 0.043 25125 16327 1 24 . 1 1 94 94 TYR H H 94 8.150 8.150 7.881 0.269 25125 16328 1 24 . 1 1 95 95 GLN N N 95 119.787 119.787 116.009 3.778 25125 16329 1 24 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.053 -0.010 25125 16330 1 24 . 1 1 95 95 GLN C C 95 176.981 176.981 176.639 0.342 25125 16331 1 24 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.951 0.515 25125 16332 1 24 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.749 0.340 25125 16333 1 24 . 1 1 95 95 GLN H H 95 8.271 8.271 8.064 0.207 25125 16334 1 24 . 1 1 96 96 GLN N N 96 117.878 117.878 118.645 -0.767 25125 16335 1 24 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.224 0.121 25125 16336 1 24 . 1 1 96 96 GLN C C 96 175.854 175.854 176.290 -0.436 25125 16337 1 24 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.477 -0.306 25125 16338 1 24 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.580 -0.105 25125 16339 1 24 . 1 1 96 96 GLN H H 96 7.944 7.944 7.648 0.296 25125 16340 1 24 . 1 1 97 97 GLY N N 97 106.670 106.670 105.909 0.761 25125 16341 1 24 . 1 1 97 97 GLY C C 97 174.231 174.231 173.189 1.042 25125 16342 1 24 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.880 0.606 25125 16343 1 24 . 1 1 97 97 GLY H H 97 7.949 7.949 8.224 -0.275 25125 16344 1 24 . 1 1 98 98 ALA N N 98 122.898 122.898 120.922 1.976 25125 16345 1 24 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.406 -0.031 25125 16346 1 24 . 1 1 98 98 ALA C C 98 175.991 175.991 175.597 0.394 25125 16347 1 24 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.251 1.917 25125 16348 1 24 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.234 -1.265 25125 16349 1 24 . 1 1 98 98 ALA H H 98 7.808 7.808 7.165 0.643 25125 16350 1 24 . 1 1 99 99 PHE N N 99 123.484 123.484 118.589 4.895 25125 16351 1 24 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.516 -0.166 25125 16352 1 24 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.257 2.199 25125 16353 1 24 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.459 -1.019 25125 16354 1 24 . 1 1 99 99 PHE H H 99 7.704 7.704 8.205 -0.501 25125 16355 1 24 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.878 0.626 25125 16356 1 24 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.968 -1.486 25125 16357 1 24 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.425 3.775 25125 16358 1 24 . 1 1 101 101 TYR N N 101 118.148 118.148 121.830 -3.682 25125 16359 1 24 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.451 0.997 25125 16360 1 24 . 1 1 101 101 TYR C C 101 173.159 173.159 174.095 -0.936 25125 16361 1 24 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.489 -0.502 25125 16362 1 24 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.236 2.662 25125 16363 1 24 . 1 1 101 101 TYR H H 101 9.546 9.546 7.431 2.115 25125 16364 1 24 . 1 1 102 102 LEU N N 102 124.100 124.100 120.042 4.058 25125 16365 1 24 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.075 -0.355 25125 16366 1 24 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.329 -0.830 25125 16367 1 24 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.477 -0.416 25125 16368 1 24 . 1 1 102 102 LEU H H 102 8.901 8.901 8.609 0.292 25125 16369 1 24 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.685 0.208 25125 16370 1 24 . 1 1 103 103 PRO C C 103 175.524 175.524 175.361 0.163 25125 16371 1 24 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.445 -0.560 25125 16372 1 24 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.194 -0.387 25125 16373 1 24 . 1 1 104 104 LYS N N 104 118.848 118.848 121.454 -2.606 25125 16374 1 24 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.907 -0.394 25125 16375 1 24 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.745 -0.527 25125 16376 1 24 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.117 1.627 25125 16377 1 24 . 1 1 104 104 LYS H H 104 8.279 8.279 8.067 0.212 25125 16378 1 24 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.473 -0.174 25125 16379 1 24 . 1 1 105 105 PRO C C 105 175.001 175.001 175.362 -0.361 25125 16380 1 24 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.598 -0.204 25125 16381 1 24 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.137 1.958 25125 16382 1 24 . 1 1 106 106 PHE N N 106 116.607 116.607 114.958 1.649 25125 16383 1 24 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.777 0.393 25125 16384 1 24 . 1 1 106 106 PHE C C 106 175.221 175.221 174.254 0.967 25125 16385 1 24 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.959 -2.525 25125 16386 1 24 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.364 0.036 25125 16387 1 24 . 1 1 106 106 PHE H H 106 7.457 7.457 7.517 -0.060 25125 16388 1 24 . 1 1 107 107 ASP N N 107 122.214 122.214 122.420 -0.206 25125 16389 1 24 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.029 -0.197 25125 16390 1 24 . 1 1 107 107 ASP C C 107 177.778 177.778 177.001 0.777 25125 16391 1 24 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.821 -0.579 25125 16392 1 24 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.341 1.256 25125 16393 1 24 . 1 1 107 107 ASP H H 107 9.022 9.022 8.592 0.430 25125 16394 1 24 . 1 1 108 108 ILE N N 108 127.706 127.706 125.037 2.669 25125 16395 1 24 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.739 0.226 25125 16396 1 24 . 1 1 108 108 ILE C C 108 176.046 176.046 177.147 -1.101 25125 16397 1 24 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.703 -1.714 25125 16398 1 24 . 1 1 108 108 ILE CB C 108 37.754 37.754 37.997 -0.243 25125 16399 1 24 . 1 1 108 108 ILE H H 108 8.860 8.860 8.851 0.009 25125 16400 1 24 . 1 1 109 109 ASP N N 109 120.058 120.058 118.910 1.148 25125 16401 1 24 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.326 0.062 25125 16402 1 24 . 1 1 109 109 ASP C C 109 179.786 179.786 178.777 1.009 25125 16403 1 24 . 1 1 109 109 ASP CA C 109 57.494 57.494 58.058 -0.564 25125 16404 1 24 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.145 -0.091 25125 16405 1 24 . 1 1 109 109 ASP H H 109 8.079 8.079 8.685 -0.606 25125 16406 1 24 . 1 1 110 110 GLU N N 110 121.559 121.559 119.627 1.932 25125 16407 1 24 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.243 -0.175 25125 16408 1 24 . 1 1 110 110 GLU C C 110 179.043 179.043 178.355 0.688 25125 16409 1 24 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.542 0.284 25125 16410 1 24 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.875 -0.532 25125 16411 1 24 . 1 1 110 110 GLU H H 110 8.012 8.012 8.151 -0.139 25125 16412 1 24 . 1 1 111 111 ALA N N 111 122.267 122.267 123.194 -0.927 25125 16413 1 24 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.973 -0.219 25125 16414 1 24 . 1 1 111 111 ALA C C 111 178.493 178.493 179.464 -0.971 25125 16415 1 24 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.196 -0.023 25125 16416 1 24 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.316 0.066 25125 16417 1 24 . 1 1 111 111 ALA H H 111 7.897 7.897 7.821 0.076 25125 16418 1 24 . 1 1 112 112 VAL N N 112 116.527 116.527 118.013 -1.486 25125 16419 1 24 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.525 -0.358 25125 16420 1 24 . 1 1 112 112 VAL C C 112 177.201 177.201 177.690 -0.489 25125 16421 1 24 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.711 0.434 25125 16422 1 24 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.668 -0.116 25125 16423 1 24 . 1 1 112 112 VAL H H 112 8.018 8.018 8.413 -0.395 25125 16424 1 24 . 1 1 113 113 ALA N N 113 119.895 119.895 119.876 0.019 25125 16425 1 24 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.117 0.021 25125 16426 1 24 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.204 0.628 25125 16427 1 24 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.744 -0.872 25125 16428 1 24 . 1 1 113 113 ALA H H 113 7.673 7.673 7.586 0.087 25125 16429 1 24 . 1 1 114 114 LEU N N 114 120.650 120.650 120.530 0.120 25125 16430 1 24 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.201 -0.118 25125 16431 1 24 . 1 1 114 114 LEU C C 114 178.466 178.466 178.415 0.051 25125 16432 1 24 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.509 0.511 25125 16433 1 24 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.057 -0.224 25125 16434 1 24 . 1 1 114 114 LEU H H 114 7.840 7.840 7.209 0.631 25125 16435 1 24 . 1 1 115 115 VAL N N 115 119.480 119.480 118.789 0.691 25125 16436 1 24 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.480 -0.268 25125 16437 1 24 . 1 1 115 115 VAL C C 115 177.448 177.448 177.255 0.193 25125 16438 1 24 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.740 1.461 25125 16439 1 24 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.497 -0.825 25125 16440 1 24 . 1 1 115 115 VAL H H 115 7.824 7.824 8.084 -0.260 25125 16441 1 24 . 1 1 116 116 GLU N N 116 117.473 117.473 118.700 -1.227 25125 16442 1 24 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.919 -0.130 25125 16443 1 24 . 1 1 116 116 GLU C C 116 179.566 179.566 178.591 0.975 25125 16444 1 24 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.560 0.370 25125 16445 1 24 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.340 -0.243 25125 16446 1 24 . 1 1 116 116 GLU H H 116 8.465 8.465 7.703 0.762 25125 16447 1 24 . 1 1 117 117 ARG N N 117 120.128 120.128 119.206 0.922 25125 16448 1 24 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.101 -0.037 25125 16449 1 24 . 1 1 117 117 ARG C C 117 178.438 178.438 177.276 1.162 25125 16450 1 24 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.616 0.662 25125 16451 1 24 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.024 0.253 25125 16452 1 24 . 1 1 117 117 ARG H H 117 8.012 8.012 7.401 0.611 25125 16453 1 24 . 1 1 118 118 ALA N N 118 122.270 122.270 120.504 1.766 25125 16454 1 24 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.913 -0.457 25125 16455 1 24 . 1 1 118 118 ALA C C 118 178.741 178.741 178.438 0.303 25125 16456 1 24 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.802 0.776 25125 16457 1 24 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.863 -0.704 25125 16458 1 24 . 1 1 118 118 ALA H H 118 7.958 7.958 7.287 0.671 25125 16459 1 24 . 1 1 119 119 ILE N N 119 115.269 115.269 117.661 -2.392 25125 16460 1 24 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.221 -0.493 25125 16461 1 24 . 1 1 119 119 ILE C C 119 177.366 177.366 178.329 -0.963 25125 16462 1 24 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.047 -0.378 25125 16463 1 24 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.840 -1.042 25125 16464 1 24 . 1 1 119 119 ILE H H 119 7.753 7.753 7.522 0.231 25125 16465 1 24 . 1 1 120 120 SER N N 120 115.135 115.135 115.283 -0.148 25125 16466 1 24 . 1 1 120 120 SER HA H 120 4.275 4.275 4.138 0.137 25125 16467 1 24 . 1 1 120 120 SER C C 120 175.084 175.084 175.416 -0.332 25125 16468 1 24 . 1 1 120 120 SER CA C 120 59.816 59.816 61.299 -1.483 25125 16469 1 24 . 1 1 120 120 SER CB C 120 63.380 63.380 62.931 0.449 25125 16470 1 24 . 1 1 120 120 SER H H 120 7.816 7.816 8.216 -0.400 25125 16471 1 24 . 1 1 121 121 HIS N N 121 119.908 119.908 119.202 0.706 25125 16472 1 24 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.153 0.269 25125 16473 1 24 . 1 1 121 121 HIS C C 121 175.029 175.029 175.628 -0.599 25125 16474 1 24 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.569 -1.333 25125 16475 1 24 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.721 -0.294 25125 16476 1 24 . 1 1 121 121 HIS H H 121 7.910 7.910 7.716 0.194 25125 16477 1 24 . 1 1 122 122 TYR N N 122 118.880 118.880 117.675 1.205 25125 16478 1 24 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.467 -0.041 25125 16479 1 24 . 1 1 122 122 TYR C C 122 175.276 175.276 177.846 -2.570 25125 16480 1 24 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.392 -0.943 25125 16481 1 24 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.743 -0.139 25125 16482 1 24 . 1 1 122 122 TYR H H 122 7.766 7.766 7.689 0.077 25125 16483 1 24 . 1 1 123 123 GLN N N 123 121.479 121.479 118.937 2.542 25125 16484 1 24 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.167 0.103 25125 16485 1 24 . 1 1 123 123 GLN C C 123 174.534 174.534 176.096 -1.562 25125 16486 1 24 . 1 1 123 123 GLN CA C 123 55.512 55.512 57.407 -1.895 25125 16487 1 24 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.472 0.296 25125 16488 1 24 . 1 1 123 123 GLN H H 123 7.878 7.878 8.167 -0.289 25125 16489 1 25 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.593 -0.160 25125 16490 1 25 . 1 1 2 2 GLN CA C 2 55.564 55.564 55.434 0.130 25125 16491 1 25 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.206 2.394 25125 16492 1 25 . 1 1 3 3 ARG N N 3 121.252 121.252 119.893 1.359 25125 16493 1 25 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.196 0.169 25125 16494 1 25 . 1 1 3 3 ARG C C 3 175.634 175.634 175.849 -0.215 25125 16495 1 25 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.541 -0.549 25125 16496 1 25 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.333 0.964 25125 16497 1 25 . 1 1 3 3 ARG H H 3 8.429 8.429 7.543 0.886 25125 16498 1 25 . 1 1 4 4 GLY N N 4 107.663 107.663 108.733 -1.070 25125 16499 1 25 . 1 1 4 4 GLY C C 4 171.041 171.041 173.024 -1.983 25125 16500 1 25 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.419 0.897 25125 16501 1 25 . 1 1 4 4 GLY H H 4 7.963 7.963 7.697 0.266 25125 16502 1 25 . 1 1 5 5 ILE N N 5 122.603 122.603 124.621 -2.018 25125 16503 1 25 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.044 0.655 25125 16504 1 25 . 1 1 5 5 ILE C C 5 175.359 175.359 175.076 0.283 25125 16505 1 25 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.593 -0.983 25125 16506 1 25 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.512 0.064 25125 16507 1 25 . 1 1 5 5 ILE H H 5 9.610 9.610 8.136 1.474 25125 16508 1 25 . 1 1 6 6 VAL N N 6 127.905 127.905 125.095 2.810 25125 16509 1 25 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.919 -0.107 25125 16510 1 25 . 1 1 6 6 VAL C C 6 174.204 174.204 175.420 -1.216 25125 16511 1 25 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.618 -1.059 25125 16512 1 25 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.489 1.037 25125 16513 1 25 . 1 1 6 6 VAL H H 6 9.090 9.090 8.214 0.876 25125 16514 1 25 . 1 1 7 7 TRP N N 7 127.467 127.467 128.519 -1.052 25125 16515 1 25 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.223 1.231 25125 16516 1 25 . 1 1 7 7 TRP C C 7 175.056 175.056 175.305 -0.249 25125 16517 1 25 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.610 -1.732 25125 16518 1 25 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.189 1.945 25125 16519 1 25 . 1 1 7 7 TRP H H 7 8.497 8.497 8.125 0.372 25125 16520 1 25 . 1 1 8 8 VAL N N 8 122.068 122.068 120.734 1.334 25125 16521 1 25 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.509 0.577 25125 16522 1 25 . 1 1 8 8 VAL C C 8 173.874 173.874 174.283 -0.409 25125 16523 1 25 . 1 1 8 8 VAL CA C 8 60.486 60.486 60.979 -0.493 25125 16524 1 25 . 1 1 8 8 VAL CB C 8 35.715 35.715 34.905 0.810 25125 16525 1 25 . 1 1 8 8 VAL H H 8 8.583 8.583 9.299 -0.716 25125 16526 1 25 . 1 1 9 9 VAL N N 9 127.733 127.733 124.536 3.197 25125 16527 1 25 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.715 0.246 25125 16528 1 25 . 1 1 9 9 VAL C C 9 173.131 173.131 173.491 -0.360 25125 16529 1 25 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.990 -1.315 25125 16530 1 25 . 1 1 9 9 VAL CB C 9 32.911 32.911 35.956 -3.045 25125 16531 1 25 . 1 1 9 9 VAL H H 9 9.107 9.107 8.173 0.934 25125 16532 1 25 . 1 1 10 10 ASP N N 10 124.306 124.306 125.765 -1.459 25125 16533 1 25 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.832 -0.263 25125 16534 1 25 . 1 1 10 10 ASP C C 10 175.029 175.029 174.581 0.448 25125 16535 1 25 . 1 1 10 10 ASP CA C 10 54.747 54.747 54.142 0.605 25125 16536 1 25 . 1 1 10 10 ASP CB C 10 44.109 44.109 44.037 0.072 25125 16537 1 25 . 1 1 10 10 ASP H H 10 7.775 7.775 8.016 -0.241 25125 16538 1 25 . 1 1 11 11 ASP N N 11 126.714 126.714 119.964 6.750 25125 16539 1 25 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.692 -0.157 25125 16540 1 25 . 1 1 11 11 ASP C C 11 175.689 175.689 175.731 -0.042 25125 16541 1 25 . 1 1 11 11 ASP CA C 11 55.718 55.718 55.093 0.625 25125 16542 1 25 . 1 1 11 11 ASP CB C 11 42.074 42.074 41.721 0.353 25125 16543 1 25 . 1 1 11 11 ASP H H 11 9.033 9.033 8.748 0.285 25125 16544 1 25 . 1 1 12 12 ASP N N 12 121.877 121.877 118.973 2.904 25125 16545 1 25 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.880 -0.234 25125 16546 1 25 . 1 1 12 12 ASP C C 12 177.036 177.036 176.241 0.795 25125 16547 1 25 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.903 -0.600 25125 16548 1 25 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.186 -2.022 25125 16549 1 25 . 1 1 12 12 ASP H H 12 9.570 9.570 7.949 1.621 25125 16550 1 25 . 1 1 13 13 SER N N 13 123.799 123.799 119.448 4.351 25125 16551 1 25 . 1 1 13 13 SER HA H 13 3.761 3.761 4.242 -0.481 25125 16552 1 25 . 1 1 13 13 SER C C 13 176.156 176.156 176.110 0.046 25125 16553 1 25 . 1 1 13 13 SER CA C 13 61.186 61.186 61.814 -0.628 25125 16554 1 25 . 1 1 13 13 SER CB C 13 62.749 62.749 63.243 -0.494 25125 16555 1 25 . 1 1 13 13 SER H H 13 8.850 8.850 8.821 0.029 25125 16556 1 25 . 1 1 14 14 SER N N 14 119.123 119.123 117.798 1.325 25125 16557 1 25 . 1 1 14 14 SER HA H 14 4.361 4.361 4.298 0.063 25125 16558 1 25 . 1 1 14 14 SER C C 14 176.404 176.404 176.640 -0.236 25125 16559 1 25 . 1 1 14 14 SER CA C 14 61.730 61.730 61.126 0.604 25125 16560 1 25 . 1 1 14 14 SER CB C 14 62.548 62.548 62.633 -0.085 25125 16561 1 25 . 1 1 14 14 SER H H 14 8.531 8.531 8.597 -0.066 25125 16562 1 25 . 1 1 15 15 ILE N N 15 123.637 123.637 122.298 1.339 25125 16563 1 25 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.974 -0.029 25125 16564 1 25 . 1 1 15 15 ILE C C 15 177.861 177.861 177.581 0.280 25125 16565 1 25 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.348 -2.148 25125 16566 1 25 . 1 1 15 15 ILE CB C 15 35.886 35.886 37.027 -1.141 25125 16567 1 25 . 1 1 15 15 ILE H H 15 7.206 7.206 8.145 -0.939 25125 16568 1 25 . 1 1 16 16 ARG N N 16 116.694 116.694 119.049 -2.355 25125 16569 1 25 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.232 -0.509 25125 16570 1 25 . 1 1 16 16 ARG C C 16 177.448 177.448 178.172 -0.724 25125 16571 1 25 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.825 2.748 25125 16572 1 25 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.868 0.579 25125 16573 1 25 . 1 1 16 16 ARG H H 16 7.562 7.562 7.725 -0.163 25125 16574 1 25 . 1 1 17 17 TRP N N 17 116.848 116.848 123.307 -6.459 25125 16575 1 25 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.397 0.074 25125 16576 1 25 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.087 -0.647 25125 16577 1 25 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.677 -0.385 25125 16578 1 25 . 1 1 17 17 TRP H H 17 8.005 8.005 8.576 -0.571 25125 16579 1 25 . 1 1 18 18 VAL N N 18 116.964 116.964 116.050 0.914 25125 16580 1 25 . 1 1 18 18 VAL HA H 18 3.675 3.675 3.030 0.645 25125 16581 1 25 . 1 1 18 18 VAL C C 18 179.181 179.181 177.863 1.318 25125 16582 1 25 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.409 0.299 25125 16583 1 25 . 1 1 18 18 VAL CB C 18 31.637 31.637 30.665 0.972 25125 16584 1 25 . 1 1 18 18 VAL H H 18 8.110 8.110 7.752 0.358 25125 16585 1 25 . 1 1 19 19 LEU N N 19 120.186 120.186 117.966 2.220 25125 16586 1 25 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.222 -0.147 25125 16587 1 25 . 1 1 19 19 LEU C C 19 177.778 177.778 178.688 -0.910 25125 16588 1 25 . 1 1 19 19 LEU CA C 19 57.822 57.822 56.490 1.332 25125 16589 1 25 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.528 0.253 25125 16590 1 25 . 1 1 19 19 LEU H H 19 8.073 8.073 7.471 0.602 25125 16591 1 25 . 1 1 20 20 GLU N N 20 120.193 120.193 120.516 -0.323 25125 16592 1 25 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.134 -0.193 25125 16593 1 25 . 1 1 20 20 GLU C C 20 178.603 178.603 178.838 -0.235 25125 16594 1 25 . 1 1 20 20 GLU CA C 20 60.610 60.610 58.929 1.681 25125 16595 1 25 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.809 -0.721 25125 16596 1 25 . 1 1 20 20 GLU H H 20 8.387 8.387 8.006 0.381 25125 16597 1 25 . 1 1 21 21 ARG N N 21 116.076 116.076 117.828 -1.752 25125 16598 1 25 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.979 -0.086 25125 16599 1 25 . 1 1 21 21 ARG C C 21 179.676 179.676 178.331 1.345 25125 16600 1 25 . 1 1 21 21 ARG CA C 21 58.449 58.449 57.148 1.301 25125 16601 1 25 . 1 1 21 21 ARG CB C 21 29.853 29.853 28.567 1.286 25125 16602 1 25 . 1 1 21 21 ARG H H 21 7.602 7.602 7.974 -0.372 25125 16603 1 25 . 1 1 22 22 ALA N N 22 122.405 122.405 121.610 0.795 25125 16604 1 25 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.084 0.013 25125 16605 1 25 . 1 1 22 22 ALA C C 22 180.501 180.501 178.915 1.586 25125 16606 1 25 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.788 -0.209 25125 16607 1 25 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.098 1.134 25125 16608 1 25 . 1 1 22 22 ALA H H 22 7.992 7.992 7.540 0.452 25125 16609 1 25 . 1 1 23 23 LEU N N 23 118.026 118.026 117.620 0.406 25125 16610 1 25 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.294 -0.293 25125 16611 1 25 . 1 1 23 23 LEU C C 23 178.878 178.878 179.031 -0.153 25125 16612 1 25 . 1 1 23 23 LEU CA C 23 57.721 57.721 55.892 1.829 25125 16613 1 25 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.885 -2.230 25125 16614 1 25 . 1 1 23 23 LEU H H 23 8.825 8.825 8.005 0.820 25125 16615 1 25 . 1 1 24 24 ALA N N 24 122.159 122.159 122.477 -0.318 25125 16616 1 25 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.024 0.609 25125 16617 1 25 . 1 1 24 24 ALA C C 24 183.141 183.141 178.898 4.243 25125 16618 1 25 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.504 0.243 25125 16619 1 25 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.455 -0.753 25125 16620 1 25 . 1 1 24 24 ALA H H 24 8.125 8.125 7.887 0.238 25125 16621 1 25 . 1 1 25 25 GLY N N 25 106.891 106.891 105.337 1.554 25125 16622 1 25 . 1 1 25 25 GLY C C 25 174.286 174.286 174.124 0.162 25125 16623 1 25 . 1 1 25 25 GLY CA C 25 46.421 46.421 44.955 1.466 25125 16624 1 25 . 1 1 25 25 GLY H H 25 7.870 7.870 7.812 0.058 25125 16625 1 25 . 1 1 26 26 ALA N N 26 121.819 121.819 122.665 -0.846 25125 16626 1 25 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.702 -0.203 25125 16627 1 25 . 1 1 26 26 ALA C C 26 176.953 176.953 177.223 -0.270 25125 16628 1 25 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.051 0.468 25125 16629 1 25 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.558 -1.836 25125 16630 1 25 . 1 1 26 26 ALA H H 26 7.285 7.285 7.122 0.163 25125 16631 1 25 . 1 1 27 27 GLY N N 27 106.197 106.197 106.912 -0.715 25125 16632 1 25 . 1 1 27 27 GLY C C 27 173.956 173.956 173.322 0.634 25125 16633 1 25 . 1 1 27 27 GLY CA C 27 45.316 45.316 44.525 0.791 25125 16634 1 25 . 1 1 27 27 GLY H H 27 7.824 7.824 8.538 -0.714 25125 16635 1 25 . 1 1 28 28 LEU N N 28 120.291 120.291 117.490 2.801 25125 16636 1 25 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.770 -0.195 25125 16637 1 25 . 1 1 28 28 LEU C C 28 175.881 175.881 176.112 -0.231 25125 16638 1 25 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.365 0.278 25125 16639 1 25 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.703 -2.217 25125 16640 1 25 . 1 1 28 28 LEU H H 28 7.678 7.678 7.212 0.466 25125 16641 1 25 . 1 1 29 29 THR N N 29 118.040 118.040 116.374 1.666 25125 16642 1 25 . 1 1 29 29 THR HA H 29 4.335 4.335 4.335 0.000 25125 16643 1 25 . 1 1 29 29 THR C C 29 173.186 173.186 173.572 -0.386 25125 16644 1 25 . 1 1 29 29 THR CA C 29 62.479 62.479 63.271 -0.792 25125 16645 1 25 . 1 1 29 29 THR CB C 29 69.465 69.465 70.027 -0.562 25125 16646 1 25 . 1 1 29 29 THR H H 29 8.527 8.527 8.335 0.192 25125 16647 1 25 . 1 1 30 30 CYS N N 30 128.387 128.387 125.265 3.122 25125 16648 1 25 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.599 0.344 25125 16649 1 25 . 1 1 30 30 CYS C C 30 173.846 173.846 174.341 -0.495 25125 16650 1 25 . 1 1 30 30 CYS CA C 30 56.362 56.362 57.189 -0.827 25125 16651 1 25 . 1 1 30 30 CYS CB C 30 29.480 29.480 29.654 -0.174 25125 16652 1 25 . 1 1 30 30 CYS H H 30 8.968 8.968 8.538 0.430 25125 16653 1 25 . 1 1 31 31 THR N N 31 126.481 126.481 125.364 1.117 25125 16654 1 25 . 1 1 31 31 THR HA H 31 4.433 4.433 4.363 0.070 25125 16655 1 25 . 1 1 31 31 THR C C 31 172.609 172.609 173.301 -0.692 25125 16656 1 25 . 1 1 31 31 THR CA C 31 61.951 61.951 61.419 0.532 25125 16657 1 25 . 1 1 31 31 THR CB C 31 70.567 70.567 69.981 0.586 25125 16658 1 25 . 1 1 31 31 THR H H 31 8.614 8.614 8.508 0.106 25125 16659 1 25 . 1 1 32 32 THR N N 32 116.418 116.418 119.220 -2.802 25125 16660 1 25 . 1 1 32 32 THR HA H 32 5.330 5.330 5.150 0.180 25125 16661 1 25 . 1 1 32 32 THR C C 32 172.306 172.306 173.420 -1.114 25125 16662 1 25 . 1 1 32 32 THR CA C 32 59.173 59.173 60.412 -1.239 25125 16663 1 25 . 1 1 32 32 THR CB C 32 70.917 70.917 69.694 1.223 25125 16664 1 25 . 1 1 32 32 THR H H 32 8.299 8.299 8.317 -0.018 25125 16665 1 25 . 1 1 33 33 PHE N N 33 118.067 118.067 124.161 -6.094 25125 16666 1 25 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.698 -0.055 25125 16667 1 25 . 1 1 33 33 PHE C C 33 174.341 174.341 175.940 -1.599 25125 16668 1 25 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.736 -0.203 25125 16669 1 25 . 1 1 33 33 PHE CB C 33 43.309 43.309 42.512 0.797 25125 16670 1 25 . 1 1 33 33 PHE H H 33 8.890 8.890 8.666 0.224 25125 16671 1 25 . 1 1 34 34 GLU N N 34 118.499 118.499 116.725 1.774 25125 16672 1 25 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.717 -0.363 25125 16673 1 25 . 1 1 34 34 GLU C C 34 175.414 175.414 175.279 0.135 25125 16674 1 25 . 1 1 34 34 GLU CA C 34 56.692 56.692 55.901 0.791 25125 16675 1 25 . 1 1 34 34 GLU CB C 34 31.467 31.467 31.598 -0.131 25125 16676 1 25 . 1 1 34 34 GLU H H 34 9.023 9.023 9.144 -0.121 25125 16677 1 25 . 1 1 35 35 ASN N N 35 109.907 109.907 117.739 -7.832 25125 16678 1 25 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.884 -0.103 25125 16679 1 25 . 1 1 35 35 ASN C C 35 175.139 175.139 176.287 -1.148 25125 16680 1 25 . 1 1 35 35 ASN CA C 35 52.146 52.146 53.067 -0.921 25125 16681 1 25 . 1 1 35 35 ASN CB C 35 41.323 41.323 39.864 1.459 25125 16682 1 25 . 1 1 35 35 ASN H H 35 7.401 7.401 7.493 -0.092 25125 16683 1 25 . 1 1 36 36 GLY N N 36 106.739 106.739 113.852 -7.113 25125 16684 1 25 . 1 1 36 36 GLY C C 36 174.616 174.616 175.053 -0.437 25125 16685 1 25 . 1 1 36 36 GLY CA C 36 47.016 47.016 47.269 -0.253 25125 16686 1 25 . 1 1 36 36 GLY H H 36 8.877 8.877 8.839 0.038 25125 16687 1 25 . 1 1 37 37 ASN N N 37 120.462 120.462 118.922 1.540 25125 16688 1 25 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.443 -0.081 25125 16689 1 25 . 1 1 37 37 ASN C C 37 178.686 178.686 177.184 1.502 25125 16690 1 25 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.528 1.004 25125 16691 1 25 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.542 -0.958 25125 16692 1 25 . 1 1 37 37 ASN H H 37 8.366 8.366 8.339 0.027 25125 16693 1 25 . 1 1 38 38 GLU N N 38 119.360 119.360 117.938 1.422 25125 16694 1 25 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.251 -0.181 25125 16695 1 25 . 1 1 38 38 GLU C C 38 179.263 179.263 177.611 1.652 25125 16696 1 25 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.800 0.832 25125 16697 1 25 . 1 1 38 38 GLU CB C 38 30.532 30.532 30.045 0.487 25125 16698 1 25 . 1 1 38 38 GLU H H 38 7.990 7.990 7.972 0.018 25125 16699 1 25 . 1 1 39 39 VAL N N 39 119.259 119.259 119.404 -0.145 25125 16700 1 25 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.080 -0.312 25125 16701 1 25 . 1 1 39 39 VAL C C 39 176.431 176.431 177.228 -0.797 25125 16702 1 25 . 1 1 39 39 VAL CA C 39 64.943 64.943 65.401 -0.458 25125 16703 1 25 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.864 -0.789 25125 16704 1 25 . 1 1 39 39 VAL H H 39 6.883 6.883 7.609 -0.726 25125 16705 1 25 . 1 1 40 40 LEU N N 40 119.627 119.627 121.382 -1.755 25125 16706 1 25 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.979 -0.052 25125 16707 1 25 . 1 1 40 40 LEU C C 40 179.538 179.538 178.052 1.486 25125 16708 1 25 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.147 -0.207 25125 16709 1 25 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.446 -0.378 25125 16710 1 25 . 1 1 40 40 LEU H H 40 7.692 7.692 7.985 -0.293 25125 16711 1 25 . 1 1 41 41 ALA N N 41 120.051 120.051 120.354 -0.303 25125 16712 1 25 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.121 0.019 25125 16713 1 25 . 1 1 41 41 ALA C C 41 180.528 180.528 179.684 0.844 25125 16714 1 25 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.681 -0.030 25125 16715 1 25 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.872 -0.006 25125 16716 1 25 . 1 1 41 41 ALA H H 41 7.553 7.553 7.912 -0.359 25125 16717 1 25 . 1 1 42 42 ALA N N 42 122.731 122.731 122.356 0.375 25125 16718 1 25 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.167 0.032 25125 16719 1 25 . 1 1 42 42 ALA C C 42 180.198 180.198 180.218 -0.020 25125 16720 1 25 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.624 0.408 25125 16721 1 25 . 1 1 42 42 ALA CB C 42 19.399 19.399 17.974 1.425 25125 16722 1 25 . 1 1 42 42 ALA H H 42 7.604 7.604 7.237 0.367 25125 16723 1 25 . 1 1 43 43 LEU N N 43 119.131 119.131 118.419 0.712 25125 16724 1 25 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.008 1.198 25125 16725 1 25 . 1 1 43 43 LEU C C 43 177.421 177.421 178.935 -1.514 25125 16726 1 25 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.494 -1.949 25125 16727 1 25 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.055 1.549 25125 16728 1 25 . 1 1 43 43 LEU H H 43 8.288 8.288 8.083 0.205 25125 16729 1 25 . 1 1 44 44 ALA N N 44 119.065 119.065 118.222 0.843 25125 16730 1 25 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.201 0.028 25125 16731 1 25 . 1 1 44 44 ALA C C 44 178.686 178.686 178.311 0.375 25125 16732 1 25 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.653 0.585 25125 16733 1 25 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.487 0.029 25125 16734 1 25 . 1 1 44 44 ALA H H 44 7.302 7.302 7.754 -0.452 25125 16735 1 25 . 1 1 45 45 SER N N 45 108.656 108.656 114.625 -5.969 25125 16736 1 25 . 1 1 45 45 SER HA H 45 4.742 4.742 4.406 0.336 25125 16737 1 25 . 1 1 45 45 SER C C 45 173.296 173.296 176.027 -2.731 25125 16738 1 25 . 1 1 45 45 SER CA C 45 58.656 58.656 61.063 -2.407 25125 16739 1 25 . 1 1 45 45 SER CB C 45 65.407 65.407 63.883 1.524 25125 16740 1 25 . 1 1 45 45 SER H H 45 7.728 7.728 7.974 -0.246 25125 16741 1 25 . 1 1 46 46 LYS N N 46 123.016 123.016 116.561 6.455 25125 16742 1 25 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.657 -0.071 25125 16743 1 25 . 1 1 46 46 LYS C C 46 172.719 172.719 175.641 -2.922 25125 16744 1 25 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.303 -0.791 25125 16745 1 25 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.499 1.726 25125 16746 1 25 . 1 1 46 46 LYS H H 46 8.101 8.101 7.977 0.124 25125 16747 1 25 . 1 1 47 47 THR N N 47 111.780 111.780 113.520 -1.740 25125 16748 1 25 . 1 1 47 47 THR HA H 47 4.282 4.282 3.943 0.339 25125 16749 1 25 . 1 1 47 47 THR CA C 47 57.806 57.806 62.143 -4.337 25125 16750 1 25 . 1 1 47 47 THR CB C 47 70.594 70.594 67.600 2.994 25125 16751 1 25 . 1 1 47 47 THR H H 47 7.677 7.677 7.830 -0.153 25125 16752 1 25 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.985 -0.080 25125 16753 1 25 . 1 1 48 48 PRO C C 48 172.966 172.966 175.520 -2.554 25125 16754 1 25 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.010 -1.145 25125 16755 1 25 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.787 -1.510 25125 16756 1 25 . 1 1 49 49 ASP N N 49 115.035 115.035 117.216 -2.181 25125 16757 1 25 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.618 -0.174 25125 16758 1 25 . 1 1 49 49 ASP C C 49 175.634 175.634 175.257 0.377 25125 16759 1 25 . 1 1 49 49 ASP CA C 49 56.447 56.447 55.036 1.411 25125 16760 1 25 . 1 1 49 49 ASP CB C 49 42.512 42.512 43.886 -1.374 25125 16761 1 25 . 1 1 49 49 ASP H H 49 8.502 8.502 8.131 0.371 25125 16762 1 25 . 1 1 50 50 VAL N N 50 112.082 112.082 116.738 -4.656 25125 16763 1 25 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.405 -0.125 25125 16764 1 25 . 1 1 50 50 VAL C C 50 171.454 171.454 173.118 -1.664 25125 16765 1 25 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.603 -1.041 25125 16766 1 25 . 1 1 50 50 VAL CB C 50 34.636 34.636 33.306 1.330 25125 16767 1 25 . 1 1 50 50 VAL H H 50 7.173 7.173 7.203 -0.030 25125 16768 1 25 . 1 1 51 51 LEU N N 51 128.247 128.247 127.639 0.608 25125 16769 1 25 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.189 0.130 25125 16770 1 25 . 1 1 51 51 LEU C C 51 173.104 173.104 175.377 -2.273 25125 16771 1 25 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.731 -0.513 25125 16772 1 25 . 1 1 51 51 LEU CB C 51 46.506 46.506 44.992 1.514 25125 16773 1 25 . 1 1 51 51 LEU H H 51 8.059 8.059 8.465 -0.406 25125 16774 1 25 . 1 1 52 52 LEU N N 52 128.407 128.407 121.124 7.283 25125 16775 1 25 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.111 0.390 25125 16776 1 25 . 1 1 52 52 LEU C C 52 175.414 175.414 175.604 -0.190 25125 16777 1 25 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.392 -0.069 25125 16778 1 25 . 1 1 52 52 LEU CB C 52 44.521 44.521 43.548 0.973 25125 16779 1 25 . 1 1 52 52 LEU H H 52 9.242 9.242 8.366 0.876 25125 16780 1 25 . 1 1 53 53 SER N N 53 114.946 114.946 117.857 -2.911 25125 16781 1 25 . 1 1 53 53 SER HA H 53 5.595 5.595 4.876 0.719 25125 16782 1 25 . 1 1 53 53 SER C C 53 174.644 174.644 174.125 0.519 25125 16783 1 25 . 1 1 53 53 SER CA C 53 55.954 55.954 58.119 -2.165 25125 16784 1 25 . 1 1 53 53 SER CB C 53 66.473 66.473 65.330 1.143 25125 16785 1 25 . 1 1 53 53 SER H H 53 8.695 8.695 7.868 0.827 25125 16786 1 25 . 1 1 54 54 ASP N N 54 128.341 128.341 122.950 5.391 25125 16787 1 25 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.970 0.355 25125 16788 1 25 . 1 1 54 54 ASP C C 54 176.816 176.816 175.862 0.954 25125 16789 1 25 . 1 1 54 54 ASP CA C 54 54.493 54.493 52.942 1.551 25125 16790 1 25 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.465 -0.137 25125 16791 1 25 . 1 1 54 54 ASP H H 54 7.886 7.886 7.994 -0.108 25125 16792 1 25 . 1 1 55 55 ILE N N 55 121.229 121.229 117.427 3.802 25125 16793 1 25 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.687 0.498 25125 16794 1 25 . 1 1 55 55 ILE C C 55 175.084 175.084 174.098 0.986 25125 16795 1 25 . 1 1 55 55 ILE CA C 55 61.542 61.542 62.395 -0.853 25125 16796 1 25 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.147 2.882 25125 16797 1 25 . 1 1 55 55 ILE H H 55 8.722 8.722 8.363 0.359 25125 16798 1 25 . 1 1 56 56 ARG N N 56 124.188 124.188 122.201 1.987 25125 16799 1 25 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.545 -0.040 25125 16800 1 25 . 1 1 56 56 ARG C C 56 175.661 175.661 174.832 0.829 25125 16801 1 25 . 1 1 56 56 ARG CA C 56 55.441 55.441 56.069 -0.627 25125 16802 1 25 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.920 -1.558 25125 16803 1 25 . 1 1 56 56 ARG H H 56 8.499 8.499 8.544 -0.045 25125 16804 1 25 . 1 1 57 57 MET N N 57 122.581 122.581 117.131 5.450 25125 16805 1 25 . 1 1 57 57 MET HA H 57 4.821 4.821 5.075 -0.254 25125 16806 1 25 . 1 1 57 57 MET CA C 57 53.132 53.132 52.355 0.777 25125 16807 1 25 . 1 1 57 57 MET CB C 57 33.445 33.445 33.806 -0.361 25125 16808 1 25 . 1 1 57 57 MET H H 57 7.956 7.956 7.876 0.080 25125 16809 1 25 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.400 -0.007 25125 16810 1 25 . 1 1 58 58 PRO C C 58 177.806 177.806 178.122 -0.316 25125 16811 1 25 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.302 -0.803 25125 16812 1 25 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.935 -0.128 25125 16813 1 25 . 1 1 59 59 GLY N N 59 111.082 111.082 107.807 3.275 25125 16814 1 25 . 1 1 59 59 GLY C C 59 173.626 173.626 174.272 -0.646 25125 16815 1 25 . 1 1 59 59 GLY CA C 59 45.590 45.590 44.754 0.836 25125 16816 1 25 . 1 1 59 59 GLY H H 59 8.653 8.653 8.451 0.202 25125 16817 1 25 . 1 1 60 60 MET N N 60 120.052 120.052 120.319 -0.267 25125 16818 1 25 . 1 1 60 60 MET HA H 60 4.525 4.525 4.315 0.210 25125 16819 1 25 . 1 1 60 60 MET C C 60 173.956 173.956 176.522 -2.566 25125 16820 1 25 . 1 1 60 60 MET CA C 60 55.047 55.047 54.952 0.095 25125 16821 1 25 . 1 1 60 60 MET CB C 60 34.506 34.506 33.624 0.882 25125 16822 1 25 . 1 1 60 60 MET H H 60 7.968 7.968 8.163 -0.195 25125 16823 1 25 . 1 1 61 61 ASP N N 61 121.306 121.306 122.888 -1.582 25125 16824 1 25 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.468 0.236 25125 16825 1 25 . 1 1 61 61 ASP C C 61 176.761 176.761 177.345 -0.584 25125 16826 1 25 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.944 -2.215 25125 16827 1 25 . 1 1 61 61 ASP CB C 61 41.069 41.069 41.557 -0.488 25125 16828 1 25 . 1 1 61 61 ASP H H 61 8.379 8.379 8.672 -0.293 25125 16829 1 25 . 1 1 62 62 GLY N N 62 110.874 110.874 106.832 4.042 25125 16830 1 25 . 1 1 62 62 GLY C C 62 175.194 175.194 175.413 -0.219 25125 16831 1 25 . 1 1 62 62 GLY CA C 62 47.101 47.101 45.690 1.411 25125 16832 1 25 . 1 1 62 62 GLY H H 62 8.707 8.707 8.075 0.632 25125 16833 1 25 . 1 1 63 63 LEU N N 63 121.299 121.299 120.268 1.031 25125 16834 1 25 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.452 -0.275 25125 16835 1 25 . 1 1 63 63 LEU C C 63 178.356 178.356 178.173 0.183 25125 16836 1 25 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.527 1.351 25125 16837 1 25 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.313 0.924 25125 16838 1 25 . 1 1 63 63 LEU H H 63 8.045 8.045 7.883 0.162 25125 16839 1 25 . 1 1 64 64 ALA N N 64 122.741 122.741 122.683 0.058 25125 16840 1 25 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.109 -0.047 25125 16841 1 25 . 1 1 64 64 ALA C C 64 180.556 180.556 179.220 1.336 25125 16842 1 25 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.064 -0.449 25125 16843 1 25 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.725 0.275 25125 16844 1 25 . 1 1 64 64 ALA H H 64 7.859 7.859 8.260 -0.401 25125 16845 1 25 . 1 1 65 65 LEU N N 65 120.287 120.287 115.044 5.243 25125 16846 1 25 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.311 -0.249 25125 16847 1 25 . 1 1 65 65 LEU C C 65 178.191 178.191 178.301 -0.110 25125 16848 1 25 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.489 1.530 25125 16849 1 25 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.228 -0.990 25125 16850 1 25 . 1 1 65 65 LEU H H 65 8.022 8.022 7.645 0.377 25125 16851 1 25 . 1 1 66 66 LEU N N 66 118.738 118.738 120.148 -1.410 25125 16852 1 25 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.178 -0.320 25125 16853 1 25 . 1 1 66 66 LEU C C 66 178.631 178.631 178.796 -0.165 25125 16854 1 25 . 1 1 66 66 LEU CA C 66 58.346 58.346 56.580 1.766 25125 16855 1 25 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.014 0.224 25125 16856 1 25 . 1 1 66 66 LEU H H 66 8.101 8.101 7.754 0.347 25125 16857 1 25 . 1 1 67 67 LYS N N 67 117.842 117.842 116.438 1.404 25125 16858 1 25 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.074 -0.092 25125 16859 1 25 . 1 1 67 67 LYS C C 67 179.263 179.263 178.959 0.304 25125 16860 1 25 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.521 1.276 25125 16861 1 25 . 1 1 67 67 LYS CB C 67 32.207 32.207 31.846 0.360 25125 16862 1 25 . 1 1 67 67 LYS H H 67 8.010 8.010 8.387 -0.377 25125 16863 1 25 . 1 1 68 68 GLN N N 68 118.875 118.875 118.140 0.735 25125 16864 1 25 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.279 -0.223 25125 16865 1 25 . 1 1 68 68 GLN C C 68 179.071 179.071 177.711 1.360 25125 16866 1 25 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.188 0.885 25125 16867 1 25 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.680 -0.069 25125 16868 1 25 . 1 1 68 68 GLN H H 68 7.809 7.809 7.506 0.303 25125 16869 1 25 . 1 1 69 69 ILE N N 69 120.377 120.377 121.138 -0.761 25125 16870 1 25 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.909 -0.379 25125 16871 1 25 . 1 1 69 69 ILE C C 69 177.421 177.421 177.886 -0.465 25125 16872 1 25 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.649 1.229 25125 16873 1 25 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.717 -0.133 25125 16874 1 25 . 1 1 69 69 ILE H H 69 8.481 8.481 7.567 0.914 25125 16875 1 25 . 1 1 70 70 LYS N N 70 117.873 117.873 117.343 0.530 25125 16876 1 25 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.144 -0.184 25125 16877 1 25 . 1 1 70 70 LYS C C 70 178.053 178.053 178.255 -0.202 25125 16878 1 25 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.603 -1.515 25125 16879 1 25 . 1 1 70 70 LYS CB C 70 31.212 31.212 31.897 -0.685 25125 16880 1 25 . 1 1 70 70 LYS H H 70 8.220 8.220 7.787 0.432 25125 16881 1 25 . 1 1 71 71 GLN N N 71 116.315 116.315 117.621 -1.306 25125 16882 1 25 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.209 -0.217 25125 16883 1 25 . 1 1 71 71 GLN C C 71 177.366 177.366 177.938 -0.572 25125 16884 1 25 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.721 0.469 25125 16885 1 25 . 1 1 71 71 GLN CB C 71 28.665 28.665 28.812 -0.147 25125 16886 1 25 . 1 1 71 71 GLN H H 71 7.601 7.601 7.893 -0.292 25125 16887 1 25 . 1 1 72 72 ARG N N 72 116.530 116.530 116.974 -0.444 25125 16888 1 25 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.059 -0.029 25125 16889 1 25 . 1 1 72 72 ARG C C 72 175.826 175.826 176.068 -0.242 25125 16890 1 25 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.290 -0.068 25125 16891 1 25 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.610 0.192 25125 16892 1 25 . 1 1 72 72 ARG H H 72 7.301 7.301 8.233 -0.932 25125 16893 1 25 . 1 1 73 73 HIS N N 73 116.755 116.755 116.046 0.709 25125 16894 1 25 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.887 0.073 25125 16895 1 25 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.142 0.076 25125 16896 1 25 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.390 0.172 25125 16897 1 25 . 1 1 73 73 HIS H H 73 8.331 8.331 7.868 0.463 25125 16898 1 25 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.318 0.181 25125 16899 1 25 . 1 1 74 74 PRO C C 74 178.466 178.466 177.576 0.890 25125 16900 1 25 . 1 1 74 74 PRO CA C 74 65.113 65.113 65.273 -0.160 25125 16901 1 25 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.198 -0.103 25125 16902 1 25 . 1 1 75 75 MET N N 75 114.814 114.814 114.072 0.742 25125 16903 1 25 . 1 1 75 75 MET HA H 75 4.567 4.567 4.476 0.091 25125 16904 1 25 . 1 1 75 75 MET C C 75 176.046 176.046 175.785 0.261 25125 16905 1 25 . 1 1 75 75 MET CA C 75 54.266 54.266 55.517 -1.251 25125 16906 1 25 . 1 1 75 75 MET CB C 75 31.288 31.288 31.986 -0.698 25125 16907 1 25 . 1 1 75 75 MET H H 75 8.623 8.623 7.691 0.932 25125 16908 1 25 . 1 1 76 76 LEU N N 76 125.533 125.533 123.270 2.263 25125 16909 1 25 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.977 -0.672 25125 16910 1 25 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.696 1.416 25125 16911 1 25 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.782 -0.097 25125 16912 1 25 . 1 1 76 76 LEU H H 76 7.337 7.337 7.188 0.149 25125 16913 1 25 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.502 -0.056 25125 16914 1 25 . 1 1 77 77 PRO C C 77 174.974 174.974 175.148 -0.174 25125 16915 1 25 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.356 0.471 25125 16916 1 25 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.290 -0.568 25125 16917 1 25 . 1 1 78 78 VAL N N 78 123.779 123.779 119.710 4.069 25125 16918 1 25 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.440 0.584 25125 16919 1 25 . 1 1 78 78 VAL C C 78 175.441 175.441 175.057 0.384 25125 16920 1 25 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.885 -0.692 25125 16921 1 25 . 1 1 78 78 VAL CB C 78 34.294 34.294 36.057 -1.763 25125 16922 1 25 . 1 1 78 78 VAL H H 78 8.317 8.317 8.108 0.209 25125 16923 1 25 . 1 1 79 79 ILE N N 79 128.334 128.334 121.560 6.774 25125 16924 1 25 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.781 -0.300 25125 16925 1 25 . 1 1 79 79 ILE C C 79 174.479 174.479 174.834 -0.355 25125 16926 1 25 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.350 -0.828 25125 16927 1 25 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.787 -1.824 25125 16928 1 25 . 1 1 79 79 ILE H H 79 9.292 9.292 8.192 1.100 25125 16929 1 25 . 1 1 80 80 ILE N N 80 127.023 127.023 127.173 -0.150 25125 16930 1 25 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.278 0.581 25125 16931 1 25 . 1 1 80 80 ILE C C 80 175.029 175.029 175.119 -0.090 25125 16932 1 25 . 1 1 80 80 ILE CA C 80 58.157 58.157 60.075 -1.918 25125 16933 1 25 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.174 -1.230 25125 16934 1 25 . 1 1 80 80 ILE H H 80 7.938 7.938 8.965 -1.027 25125 16935 1 25 . 1 1 81 81 MET N N 81 127.255 127.255 124.518 2.737 25125 16936 1 25 . 1 1 81 81 MET HA H 81 5.521 5.521 5.323 0.198 25125 16937 1 25 . 1 1 81 81 MET C C 81 174.534 174.534 175.433 -0.899 25125 16938 1 25 . 1 1 81 81 MET CA C 81 53.513 53.513 54.839 -1.325 25125 16939 1 25 . 1 1 81 81 MET CB C 81 35.483 35.483 36.327 -0.844 25125 16940 1 25 . 1 1 81 81 MET H H 81 8.801 8.801 8.600 0.201 25125 16941 1 25 . 1 1 82 82 THR N N 82 112.857 112.857 116.136 -3.279 25125 16942 1 25 . 1 1 82 82 THR HA H 82 4.914 4.914 4.473 0.441 25125 16943 1 25 . 1 1 82 82 THR C C 82 172.581 172.581 173.194 -0.613 25125 16944 1 25 . 1 1 82 82 THR CA C 82 59.561 59.561 63.160 -3.599 25125 16945 1 25 . 1 1 82 82 THR CB C 82 69.989 69.989 70.198 -0.209 25125 16946 1 25 . 1 1 82 82 THR H H 82 7.623 7.623 8.499 -0.876 25125 16947 1 25 . 1 1 83 83 ALA N N 83 129.541 129.541 123.025 6.516 25125 16948 1 25 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.953 0.755 25125 16949 1 25 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.416 -0.878 25125 16950 1 25 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.766 1.381 25125 16951 1 25 . 1 1 83 83 ALA H H 83 9.149 9.149 7.497 1.652 25125 16952 1 25 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.168 0.104 25125 16953 1 25 . 1 1 84 84 HIS CA C 84 59.700 59.700 56.058 3.642 25125 16954 1 25 . 1 1 84 84 HIS CB C 84 30.018 30.018 28.620 1.398 25125 16955 1 25 . 1 1 85 85 SER N N 85 112.633 112.633 116.615 -3.982 25125 16956 1 25 . 1 1 85 85 SER HA H 85 4.198 4.198 4.092 0.106 25125 16957 1 25 . 1 1 85 85 SER C C 85 174.506 174.506 173.708 0.798 25125 16958 1 25 . 1 1 85 85 SER CA C 85 59.823 59.823 60.318 -0.495 25125 16959 1 25 . 1 1 85 85 SER CB C 85 62.693 62.693 62.880 -0.187 25125 16960 1 25 . 1 1 85 85 SER H H 85 8.224 8.224 8.712 -0.488 25125 16961 1 25 . 1 1 86 86 ASP N N 86 120.886 120.886 123.349 -2.463 25125 16962 1 25 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.476 0.460 25125 16963 1 25 . 1 1 86 86 ASP C C 86 175.881 175.881 176.525 -0.644 25125 16964 1 25 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.366 -1.432 25125 16965 1 25 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.146 0.857 25125 16966 1 25 . 1 1 86 86 ASP H H 86 7.608 7.608 8.120 -0.512 25125 16967 1 25 . 1 1 87 87 LEU N N 87 121.913 121.913 121.665 0.248 25125 16968 1 25 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.779 0.140 25125 16969 1 25 . 1 1 87 87 LEU C C 87 177.586 177.586 177.729 -0.143 25125 16970 1 25 . 1 1 87 87 LEU CA C 87 57.837 57.837 57.895 -0.058 25125 16971 1 25 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.816 0.499 25125 16972 1 25 . 1 1 87 87 LEU H H 87 7.498 7.498 7.582 -0.084 25125 16973 1 25 . 1 1 88 88 ASP N N 88 117.621 117.621 117.932 -0.311 25125 16974 1 25 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.224 0.048 25125 16975 1 25 . 1 1 88 88 ASP C C 88 178.246 178.246 177.238 1.008 25125 16976 1 25 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.203 -0.393 25125 16977 1 25 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.729 -0.595 25125 16978 1 25 . 1 1 88 88 ASP H H 88 8.322 8.322 8.561 -0.239 25125 16979 1 25 . 1 1 89 89 ALA N N 89 122.874 122.874 120.772 2.102 25125 16980 1 25 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.310 -0.216 25125 16981 1 25 . 1 1 89 89 ALA C C 89 179.346 179.346 179.198 0.148 25125 16982 1 25 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.246 -0.093 25125 16983 1 25 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.896 -0.635 25125 16984 1 25 . 1 1 89 89 ALA H H 89 7.838 7.838 7.215 0.623 25125 16985 1 25 . 1 1 90 90 ALA N N 90 121.673 121.673 121.449 0.224 25125 16986 1 25 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.102 -0.169 25125 16987 1 25 . 1 1 90 90 ALA C C 90 178.686 178.686 180.077 -1.391 25125 16988 1 25 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.645 0.018 25125 16989 1 25 . 1 1 90 90 ALA CB C 90 18.382 18.382 17.970 0.412 25125 16990 1 25 . 1 1 90 90 ALA H H 90 7.896 7.896 7.555 0.341 25125 16991 1 25 . 1 1 91 91 VAL N N 91 117.749 117.749 119.655 -1.906 25125 16992 1 25 . 1 1 91 91 VAL HA H 91 3.612 3.612 4.000 -0.388 25125 16993 1 25 . 1 1 91 91 VAL C C 91 178.411 178.411 178.527 -0.116 25125 16994 1 25 . 1 1 91 91 VAL CA C 91 65.181 65.181 67.127 -1.946 25125 16995 1 25 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.343 0.294 25125 16996 1 25 . 1 1 91 91 VAL H H 91 8.098 8.098 8.764 -0.666 25125 16997 1 25 . 1 1 92 92 SER N N 92 114.942 114.942 114.902 0.040 25125 16998 1 25 . 1 1 92 92 SER HA H 92 4.231 4.231 4.371 -0.140 25125 16999 1 25 . 1 1 92 92 SER C C 92 175.826 175.826 176.360 -0.534 25125 17000 1 25 . 1 1 92 92 SER CA C 92 60.649 60.649 60.701 -0.052 25125 17001 1 25 . 1 1 92 92 SER CB C 92 63.063 63.063 63.224 -0.161 25125 17002 1 25 . 1 1 92 92 SER H H 92 7.825 7.825 7.794 0.031 25125 17003 1 25 . 1 1 93 93 ALA N N 93 122.580 122.580 124.356 -1.776 25125 17004 1 25 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.136 -0.079 25125 17005 1 25 . 1 1 93 93 ALA C C 93 178.906 178.906 179.478 -0.572 25125 17006 1 25 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.783 -0.466 25125 17007 1 25 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.348 -0.051 25125 17008 1 25 . 1 1 93 93 ALA H H 93 7.861 7.861 7.654 0.207 25125 17009 1 25 . 1 1 94 94 TYR N N 94 118.447 118.447 118.442 0.005 25125 17010 1 25 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.546 -0.054 25125 17011 1 25 . 1 1 94 94 TYR C C 94 177.393 177.393 176.873 0.520 25125 17012 1 25 . 1 1 94 94 TYR CA C 94 59.251 59.251 59.473 -0.222 25125 17013 1 25 . 1 1 94 94 TYR CB C 94 38.434 38.434 39.718 -1.284 25125 17014 1 25 . 1 1 94 94 TYR H H 94 8.150 8.150 8.129 0.021 25125 17015 1 25 . 1 1 95 95 GLN N N 95 119.787 119.787 118.508 1.279 25125 17016 1 25 . 1 1 95 95 GLN HA H 95 4.043 4.043 3.977 0.066 25125 17017 1 25 . 1 1 95 95 GLN C C 95 176.981 176.981 177.980 -0.999 25125 17018 1 25 . 1 1 95 95 GLN CA C 95 57.466 57.466 57.333 0.133 25125 17019 1 25 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.842 0.247 25125 17020 1 25 . 1 1 95 95 GLN H H 95 8.271 8.271 7.650 0.621 25125 17021 1 25 . 1 1 96 96 GLN N N 96 117.878 117.878 120.186 -2.308 25125 17022 1 25 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.154 0.191 25125 17023 1 25 . 1 1 96 96 GLN C C 96 175.854 175.854 175.457 0.397 25125 17024 1 25 . 1 1 96 96 GLN CA C 96 56.171 56.171 55.597 0.574 25125 17025 1 25 . 1 1 96 96 GLN CB C 96 28.475 28.475 27.214 1.261 25125 17026 1 25 . 1 1 96 96 GLN H H 96 7.944 7.944 7.856 0.088 25125 17027 1 25 . 1 1 97 97 GLY N N 97 106.670 106.670 105.092 1.578 25125 17028 1 25 . 1 1 97 97 GLY C C 97 174.231 174.231 172.768 1.463 25125 17029 1 25 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.775 0.711 25125 17030 1 25 . 1 1 97 97 GLY H H 97 7.949 7.949 7.904 0.045 25125 17031 1 25 . 1 1 98 98 ALA N N 98 122.898 122.898 121.854 1.044 25125 17032 1 25 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.511 -0.136 25125 17033 1 25 . 1 1 98 98 ALA C C 98 175.991 175.991 175.125 0.866 25125 17034 1 25 . 1 1 98 98 ALA CA C 98 52.168 52.168 49.993 2.175 25125 17035 1 25 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.577 -1.608 25125 17036 1 25 . 1 1 98 98 ALA H H 98 7.808 7.808 7.139 0.669 25125 17037 1 25 . 1 1 99 99 PHE N N 99 123.484 123.484 118.658 4.826 25125 17038 1 25 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.492 -0.142 25125 17039 1 25 . 1 1 99 99 PHE CA C 99 59.456 59.456 56.946 2.510 25125 17040 1 25 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.432 -0.992 25125 17041 1 25 . 1 1 99 99 PHE H H 99 7.704 7.704 8.046 -0.342 25125 17042 1 25 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.905 0.599 25125 17043 1 25 . 1 1 100 100 ASP CA C 100 52.482 52.482 53.768 -1.286 25125 17044 1 25 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.643 3.557 25125 17045 1 25 . 1 1 101 101 TYR N N 101 118.148 118.148 121.917 -3.769 25125 17046 1 25 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.521 0.927 25125 17047 1 25 . 1 1 101 101 TYR C C 101 173.159 173.159 174.615 -1.456 25125 17048 1 25 . 1 1 101 101 TYR CA C 101 55.987 55.987 55.949 0.038 25125 17049 1 25 . 1 1 101 101 TYR CB C 101 41.898 41.898 38.994 2.904 25125 17050 1 25 . 1 1 101 101 TYR H H 101 9.546 9.546 7.398 2.148 25125 17051 1 25 . 1 1 102 102 LEU N N 102 124.100 124.100 120.968 3.132 25125 17052 1 25 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.092 -0.372 25125 17053 1 25 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.279 -0.779 25125 17054 1 25 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.061 -0.000 25125 17055 1 25 . 1 1 102 102 LEU H H 102 8.901 8.901 8.966 -0.065 25125 17056 1 25 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.480 0.413 25125 17057 1 25 . 1 1 103 103 PRO C C 103 175.524 175.524 175.765 -0.241 25125 17058 1 25 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.364 -0.479 25125 17059 1 25 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.340 -0.534 25125 17060 1 25 . 1 1 104 104 LYS N N 104 118.848 118.848 122.287 -3.439 25125 17061 1 25 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.928 -0.415 25125 17062 1 25 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.718 -0.500 25125 17063 1 25 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.415 1.329 25125 17064 1 25 . 1 1 104 104 LYS H H 104 8.279 8.279 8.496 -0.217 25125 17065 1 25 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.358 -0.059 25125 17066 1 25 . 1 1 105 105 PRO C C 105 175.001 175.001 175.680 -0.679 25125 17067 1 25 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.786 -0.392 25125 17068 1 25 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.087 2.008 25125 17069 1 25 . 1 1 106 106 PHE N N 106 116.607 116.607 114.484 2.123 25125 17070 1 25 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.746 0.424 25125 17071 1 25 . 1 1 106 106 PHE C C 106 175.221 175.221 174.127 1.094 25125 17072 1 25 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.725 -2.290 25125 17073 1 25 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.393 0.007 25125 17074 1 25 . 1 1 106 106 PHE H H 106 7.457 7.457 7.588 -0.131 25125 17075 1 25 . 1 1 107 107 ASP N N 107 122.214 122.214 122.549 -0.335 25125 17076 1 25 . 1 1 107 107 ASP HA H 107 4.832 4.832 4.987 -0.155 25125 17077 1 25 . 1 1 107 107 ASP C C 107 177.778 177.778 177.161 0.617 25125 17078 1 25 . 1 1 107 107 ASP CA C 107 53.242 53.242 54.167 -0.925 25125 17079 1 25 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.576 1.021 25125 17080 1 25 . 1 1 107 107 ASP H H 107 9.022 9.022 8.652 0.370 25125 17081 1 25 . 1 1 108 108 ILE N N 108 127.706 127.706 125.577 2.129 25125 17082 1 25 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.732 0.233 25125 17083 1 25 . 1 1 108 108 ILE C C 108 176.046 176.046 177.428 -1.382 25125 17084 1 25 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.983 -1.994 25125 17085 1 25 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.063 -0.309 25125 17086 1 25 . 1 1 108 108 ILE H H 108 8.860 8.860 8.831 0.029 25125 17087 1 25 . 1 1 109 109 ASP N N 109 120.058 120.058 119.300 0.758 25125 17088 1 25 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.341 0.047 25125 17089 1 25 . 1 1 109 109 ASP C C 109 179.786 179.786 178.874 0.912 25125 17090 1 25 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.732 -0.238 25125 17091 1 25 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.457 -0.403 25125 17092 1 25 . 1 1 109 109 ASP H H 109 8.079 8.079 8.546 -0.467 25125 17093 1 25 . 1 1 110 110 GLU N N 110 121.559 121.559 118.986 2.573 25125 17094 1 25 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.203 -0.135 25125 17095 1 25 . 1 1 110 110 GLU C C 110 179.043 179.043 178.486 0.557 25125 17096 1 25 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.410 0.416 25125 17097 1 25 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.869 -0.526 25125 17098 1 25 . 1 1 110 110 GLU H H 110 8.012 8.012 8.088 -0.076 25125 17099 1 25 . 1 1 111 111 ALA N N 111 122.267 122.267 123.407 -1.140 25125 17100 1 25 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.959 -0.205 25125 17101 1 25 . 1 1 111 111 ALA C C 111 178.493 178.493 179.595 -1.102 25125 17102 1 25 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.157 0.015 25125 17103 1 25 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.154 0.228 25125 17104 1 25 . 1 1 111 111 ALA H H 111 7.897 7.897 7.803 0.094 25125 17105 1 25 . 1 1 112 112 VAL N N 112 116.527 116.527 118.043 -1.516 25125 17106 1 25 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.513 -0.346 25125 17107 1 25 . 1 1 112 112 VAL C C 112 177.201 177.201 177.733 -0.532 25125 17108 1 25 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.687 0.458 25125 17109 1 25 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.663 -0.112 25125 17110 1 25 . 1 1 112 112 VAL H H 112 8.018 8.018 8.511 -0.493 25125 17111 1 25 . 1 1 113 113 ALA N N 113 119.895 119.895 120.421 -0.526 25125 17112 1 25 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.201 -0.063 25125 17113 1 25 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.090 0.742 25125 17114 1 25 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.695 -0.823 25125 17115 1 25 . 1 1 113 113 ALA H H 113 7.673 7.673 7.448 0.225 25125 17116 1 25 . 1 1 114 114 LEU N N 114 120.650 120.650 121.062 -0.412 25125 17117 1 25 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.111 -0.028 25125 17118 1 25 . 1 1 114 114 LEU C C 114 178.466 178.466 178.695 -0.229 25125 17119 1 25 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.701 0.319 25125 17120 1 25 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.032 -0.199 25125 17121 1 25 . 1 1 114 114 LEU H H 114 7.840 7.840 7.751 0.089 25125 17122 1 25 . 1 1 115 115 VAL N N 115 119.480 119.480 118.723 0.757 25125 17123 1 25 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.417 -0.205 25125 17124 1 25 . 1 1 115 115 VAL C C 115 177.448 177.448 176.963 0.485 25125 17125 1 25 . 1 1 115 115 VAL CA C 115 67.201 67.201 66.389 0.812 25125 17126 1 25 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.895 -1.224 25125 17127 1 25 . 1 1 115 115 VAL H H 115 7.824 7.824 8.026 -0.202 25125 17128 1 25 . 1 1 116 116 GLU N N 116 117.473 117.473 118.554 -1.081 25125 17129 1 25 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.871 -0.082 25125 17130 1 25 . 1 1 116 116 GLU C C 116 179.566 179.566 178.320 1.246 25125 17131 1 25 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.649 0.281 25125 17132 1 25 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.505 -0.409 25125 17133 1 25 . 1 1 116 116 GLU H H 116 8.465 8.465 7.865 0.600 25125 17134 1 25 . 1 1 117 117 ARG N N 117 120.128 120.128 119.019 1.109 25125 17135 1 25 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.143 -0.079 25125 17136 1 25 . 1 1 117 117 ARG C C 117 178.438 178.438 177.554 0.884 25125 17137 1 25 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.615 0.663 25125 17138 1 25 . 1 1 117 117 ARG CB C 117 30.277 30.277 30.117 0.160 25125 17139 1 25 . 1 1 117 117 ARG H H 117 8.012 8.012 7.577 0.435 25125 17140 1 25 . 1 1 118 118 ALA N N 118 122.270 122.270 121.110 1.160 25125 17141 1 25 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.990 -0.534 25125 17142 1 25 . 1 1 118 118 ALA C C 118 178.741 178.741 178.753 -0.012 25125 17143 1 25 . 1 1 118 118 ALA CA C 118 54.578 54.578 53.982 0.596 25125 17144 1 25 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.930 -0.772 25125 17145 1 25 . 1 1 118 118 ALA H H 118 7.958 7.958 7.487 0.471 25125 17146 1 25 . 1 1 119 119 ILE N N 119 115.269 115.269 118.239 -2.970 25125 17147 1 25 . 1 1 119 119 ILE HA H 119 3.728 3.728 4.263 -0.535 25125 17148 1 25 . 1 1 119 119 ILE C C 119 177.366 177.366 178.714 -1.348 25125 17149 1 25 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.359 -0.690 25125 17150 1 25 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.581 -0.783 25125 17151 1 25 . 1 1 119 119 ILE H H 119 7.753 7.753 7.881 -0.128 25125 17152 1 25 . 1 1 120 120 SER N N 120 115.135 115.135 115.522 -0.387 25125 17153 1 25 . 1 1 120 120 SER HA H 120 4.275 4.275 4.136 0.139 25125 17154 1 25 . 1 1 120 120 SER C C 120 175.084 175.084 176.549 -1.465 25125 17155 1 25 . 1 1 120 120 SER CA C 120 59.816 59.816 61.432 -1.616 25125 17156 1 25 . 1 1 120 120 SER CB C 120 63.380 63.380 62.857 0.523 25125 17157 1 25 . 1 1 120 120 SER H H 120 7.816 7.816 8.318 -0.502 25125 17158 1 25 . 1 1 121 121 HIS N N 121 119.908 119.908 122.130 -2.222 25125 17159 1 25 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.271 0.151 25125 17160 1 25 . 1 1 121 121 HIS C C 121 175.029 175.029 177.695 -2.666 25125 17161 1 25 . 1 1 121 121 HIS CA C 121 57.236 57.236 59.446 -2.210 25125 17162 1 25 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.657 -0.229 25125 17163 1 25 . 1 1 121 121 HIS H H 121 7.910 7.910 7.890 0.020 25125 17164 1 25 . 1 1 122 122 TYR N N 122 118.880 118.880 119.461 -0.581 25125 17165 1 25 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.346 0.080 25125 17166 1 25 . 1 1 122 122 TYR C C 122 175.276 175.276 177.415 -2.139 25125 17167 1 25 . 1 1 122 122 TYR CA C 122 58.449 58.449 61.724 -3.275 25125 17168 1 25 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.521 0.083 25125 17169 1 25 . 1 1 122 122 TYR H H 122 7.766 7.766 8.217 -0.451 25125 17170 1 25 . 1 1 123 123 GLN N N 123 121.479 121.479 117.618 3.861 25125 17171 1 25 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.396 -0.126 25125 17172 1 25 . 1 1 123 123 GLN C C 123 174.534 174.534 175.521 -0.987 25125 17173 1 25 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.240 0.272 25125 17174 1 25 . 1 1 123 123 GLN CB C 123 29.768 29.768 28.326 1.442 25125 17175 1 25 . 1 1 123 123 GLN H H 123 7.878 7.878 8.116 -0.238 25125 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 113 2.983 -0.550 2.945 25125 2 1 1 "Average Difference" HA 129 0.354 -0.043 0.353 25125 3 1 1 "Average Difference" C 109 1.062 0.113 1.061 25125 4 1 1 "Average Difference" CA 122 1.248 0.101 1.249 25125 5 1 1 "Average Difference" CB 115 1.143 -0.160 1.137 25125 6 1 1 "Average Difference" HN 113 0.554 -0.123 0.542 25125 7 1 2 "Average Difference" N 113 3.164 -0.429 3.148 25125 8 1 2 "Average Difference" HA 129 0.363 -0.027 0.364 25125 9 1 2 "Average Difference" C 109 1.149 0.145 1.145 25125 10 1 2 "Average Difference" CA 122 1.365 0.195 1.357 25125 11 1 2 "Average Difference" CB 115 1.137 -0.076 1.139 25125 12 1 2 "Average Difference" HN 113 0.567 -0.120 0.557 25125 13 1 3 "Average Difference" N 113 2.945 -0.624 2.891 25125 14 1 3 "Average Difference" HA 129 0.355 -0.057 0.352 25125 15 1 3 "Average Difference" C 109 0.997 0.130 0.993 25125 16 1 3 "Average Difference" CA 122 1.304 0.158 1.299 25125 17 1 3 "Average Difference" CB 115 1.145 -0.132 1.143 25125 18 1 3 "Average Difference" HN 113 0.539 -0.121 0.528 25125 19 1 4 "Average Difference" N 113 3.027 -0.415 3.012 25125 20 1 4 "Average Difference" HA 129 0.364 -0.027 0.364 25125 21 1 4 "Average Difference" C 109 1.065 0.092 1.066 25125 22 1 4 "Average Difference" CA 122 1.250 0.100 1.251 25125 23 1 4 "Average Difference" CB 115 1.134 -0.064 1.137 25125 24 1 4 "Average Difference" HN 113 0.523 -0.099 0.516 25125 25 1 5 "Average Difference" N 113 2.854 -0.413 2.837 25125 26 1 5 "Average Difference" HA 129 0.338 -0.031 0.338 25125 27 1 5 "Average Difference" C 109 1.121 0.164 1.114 25125 28 1 5 "Average Difference" CA 122 1.226 0.166 1.220 25125 29 1 5 "Average Difference" CB 115 1.157 -0.120 1.156 25125 30 1 5 "Average Difference" HN 113 0.576 -0.111 0.568 25125 31 1 6 "Average Difference" N 113 2.947 -0.617 2.894 25125 32 1 6 "Average Difference" HA 129 0.352 -0.050 0.350 25125 33 1 6 "Average Difference" C 109 1.026 0.087 1.027 25125 34 1 6 "Average Difference" CA 122 1.268 0.118 1.268 25125 35 1 6 "Average Difference" CB 115 1.136 -0.142 1.132 25125 36 1 6 "Average Difference" HN 113 0.543 -0.112 0.534 25125 37 1 7 "Average Difference" N 113 3.078 -0.494 3.051 25125 38 1 7 "Average Difference" HA 129 0.354 -0.036 0.353 25125 39 1 7 "Average Difference" C 109 1.094 0.153 1.088 25125 40 1 7 "Average Difference" CA 122 1.288 0.128 1.287 25125 41 1 7 "Average Difference" CB 115 1.133 -0.092 1.134 25125 42 1 7 "Average Difference" HN 113 0.543 -0.095 0.537 25125 43 1 8 "Average Difference" N 113 2.989 -0.553 2.951 25125 44 1 8 "Average Difference" HA 129 0.354 -0.034 0.354 25125 45 1 8 "Average Difference" C 109 1.041 0.041 1.045 25125 46 1 8 "Average Difference" CA 122 1.275 0.136 1.273 25125 47 1 8 "Average Difference" CB 115 1.184 -0.096 1.185 25125 48 1 8 "Average Difference" HN 113 0.548 -0.108 0.540 25125 49 1 9 "Average Difference" N 113 3.092 -0.436 3.075 25125 50 1 9 "Average Difference" HA 129 0.343 -0.027 0.344 25125 51 1 9 "Average Difference" C 109 1.077 0.168 1.069 25125 52 1 9 "Average Difference" CA 122 1.208 0.172 1.200 25125 53 1 9 "Average Difference" CB 115 1.081 -0.136 1.077 25125 54 1 9 "Average Difference" HN 113 0.544 -0.142 0.527 25125 55 1 10 "Average Difference" N 113 2.971 -0.502 2.942 25125 56 1 10 "Average Difference" HA 129 0.373 -0.068 0.369 25125 57 1 10 "Average Difference" C 109 1.053 0.100 1.053 25125 58 1 10 "Average Difference" CA 122 1.264 0.143 1.261 25125 59 1 10 "Average Difference" CB 115 1.164 -0.212 1.150 25125 60 1 10 "Average Difference" HN 113 0.564 -0.103 0.557 25125 61 1 11 "Average Difference" N 113 3.162 -0.426 3.147 25125 62 1 11 "Average Difference" HA 129 0.361 -0.044 0.359 25125 63 1 11 "Average Difference" C 109 1.149 0.122 1.148 25125 64 1 11 "Average Difference" CA 122 1.315 0.093 1.317 25125 65 1 11 "Average Difference" CB 115 1.257 -0.178 1.250 25125 66 1 11 "Average Difference" HN 113 0.584 -0.146 0.568 25125 67 1 12 "Average Difference" N 113 3.043 -0.432 3.026 25125 68 1 12 "Average Difference" HA 129 0.366 -0.034 0.366 25125 69 1 12 "Average Difference" C 109 1.136 0.125 1.134 25125 70 1 12 "Average Difference" CA 122 1.241 0.177 1.234 25125 71 1 12 "Average Difference" CB 115 1.137 -0.198 1.125 25125 72 1 12 "Average Difference" HN 113 0.558 -0.136 0.544 25125 73 1 13 "Average Difference" N 113 3.103 -0.471 3.081 25125 74 1 13 "Average Difference" HA 129 0.354 -0.036 0.354 25125 75 1 13 "Average Difference" C 109 1.155 0.173 1.147 25125 76 1 13 "Average Difference" CA 122 1.307 0.161 1.302 25125 77 1 13 "Average Difference" CB 115 1.142 -0.153 1.137 25125 78 1 13 "Average Difference" HN 113 0.568 -0.124 0.556 25125 79 1 14 "Average Difference" N 113 3.057 -0.615 3.008 25125 80 1 14 "Average Difference" HA 129 0.364 -0.052 0.362 25125 81 1 14 "Average Difference" C 109 1.044 0.111 1.043 25125 82 1 14 "Average Difference" CA 122 1.255 0.188 1.246 25125 83 1 14 "Average Difference" CB 115 1.178 -0.143 1.174 25125 84 1 14 "Average Difference" HN 113 0.533 -0.140 0.517 25125 85 1 15 "Average Difference" N 113 3.147 -0.444 3.130 25125 86 1 15 "Average Difference" HA 129 0.360 -0.041 0.360 25125 87 1 15 "Average Difference" C 109 1.125 0.151 1.120 25125 88 1 15 "Average Difference" CA 122 1.283 0.132 1.282 25125 89 1 15 "Average Difference" CB 115 1.199 -0.172 1.191 25125 90 1 15 "Average Difference" HN 113 0.534 -0.098 0.528 25125 91 1 16 "Average Difference" N 113 3.145 -0.479 3.122 25125 92 1 16 "Average Difference" HA 129 0.382 -0.047 0.380 25125 93 1 16 "Average Difference" C 109 1.123 0.149 1.118 25125 94 1 16 "Average Difference" CA 122 1.311 0.242 1.294 25125 95 1 16 "Average Difference" CB 115 1.255 -0.139 1.253 25125 96 1 16 "Average Difference" HN 113 0.572 -0.150 0.555 25125 97 1 17 "Average Difference" N 113 3.041 -0.539 3.006 25125 98 1 17 "Average Difference" HA 129 0.371 -0.050 0.370 25125 99 1 17 "Average Difference" C 109 1.108 0.173 1.099 25125 100 1 17 "Average Difference" CA 122 1.271 0.123 1.271 25125 101 1 17 "Average Difference" CB 115 1.166 -0.206 1.152 25125 102 1 17 "Average Difference" HN 113 0.554 -0.153 0.535 25125 103 1 18 "Average Difference" N 113 3.203 -0.488 3.180 25125 104 1 18 "Average Difference" HA 129 0.352 -0.046 0.350 25125 105 1 18 "Average Difference" C 109 1.111 0.171 1.103 25125 106 1 18 "Average Difference" CA 122 1.317 0.233 1.301 25125 107 1 18 "Average Difference" CB 115 1.220 -0.171 1.214 25125 108 1 18 "Average Difference" HN 113 0.547 -0.128 0.534 25125 109 1 19 "Average Difference" N 113 3.064 -0.500 3.036 25125 110 1 19 "Average Difference" HA 129 0.371 -0.036 0.370 25125 111 1 19 "Average Difference" C 109 1.058 0.131 1.055 25125 112 1 19 "Average Difference" CA 122 1.191 0.145 1.187 25125 113 1 19 "Average Difference" CB 115 1.163 -0.087 1.165 25125 114 1 19 "Average Difference" HN 113 0.567 -0.157 0.547 25125 115 1 20 "Average Difference" N 113 3.180 -0.530 3.150 25125 116 1 20 "Average Difference" HA 129 0.330 -0.048 0.328 25125 117 1 20 "Average Difference" C 109 1.094 0.128 1.092 25125 118 1 20 "Average Difference" CA 122 1.305 0.241 1.288 25125 119 1 20 "Average Difference" CB 115 1.248 -0.202 1.237 25125 120 1 20 "Average Difference" HN 113 0.559 -0.137 0.545 25125 121 1 21 "Average Difference" N 113 2.880 -0.368 2.869 25125 122 1 21 "Average Difference" HA 129 0.354 -0.035 0.353 25125 123 1 21 "Average Difference" C 109 1.083 0.153 1.078 25125 124 1 21 "Average Difference" CA 122 1.310 0.204 1.300 25125 125 1 21 "Average Difference" CB 115 1.123 -0.075 1.125 25125 126 1 21 "Average Difference" HN 113 0.571 -0.108 0.563 25125 127 1 22 "Average Difference" N 113 3.324 -0.576 3.288 25125 128 1 22 "Average Difference" HA 129 0.374 -0.073 0.368 25125 129 1 22 "Average Difference" C 109 1.166 0.166 1.159 25125 130 1 22 "Average Difference" CA 122 1.362 0.220 1.350 25125 131 1 22 "Average Difference" CB 115 1.191 -0.202 1.179 25125 132 1 22 "Average Difference" HN 113 0.582 -0.148 0.565 25125 133 1 23 "Average Difference" N 113 2.872 -0.560 2.829 25125 134 1 23 "Average Difference" HA 129 0.356 -0.033 0.356 25125 135 1 23 "Average Difference" C 109 0.979 0.043 0.983 25125 136 1 23 "Average Difference" CA 122 1.262 0.085 1.265 25125 137 1 23 "Average Difference" CB 115 1.168 -0.100 1.168 25125 138 1 23 "Average Difference" HN 113 0.563 -0.151 0.544 25125 139 1 24 "Average Difference" N 113 3.041 -0.398 3.028 25125 140 1 24 "Average Difference" HA 129 0.330 -0.036 0.329 25125 141 1 24 "Average Difference" C 109 1.044 0.101 1.044 25125 142 1 24 "Average Difference" CA 122 1.178 0.245 1.157 25125 143 1 24 "Average Difference" CB 115 1.224 -0.128 1.223 25125 144 1 24 "Average Difference" HN 113 0.585 -0.151 0.568 25125 145 1 25 "Average Difference" N 113 2.908 -0.394 2.894 25125 146 1 25 "Average Difference" HA 129 0.336 -0.038 0.335 25125 147 1 25 "Average Difference" C 109 1.112 0.166 1.105 25125 148 1 25 "Average Difference" CA 122 1.273 0.150 1.269 25125 149 1 25 "Average Difference" CB 115 1.157 -0.100 1.157 25125 150 1 25 "Average Difference" HN 113 0.553 -0.117 0.543 25125 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 25125 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN HA H 2 4.433 4.433 4.334 0.099 25125 2 1 . 1 1 2 2 GLN CA C 2 55.564 55.564 56.243 -0.679 25125 3 1 . 1 1 2 2 GLN CB C 2 29.600 29.600 27.561 2.039 25125 4 1 . 1 1 3 3 ARG N N 3 121.252 121.252 119.276 1.976 25125 5 1 . 1 1 3 3 ARG HA H 3 4.365 4.365 4.240 0.125 25125 6 1 . 1 1 3 3 ARG C C 3 175.634 175.634 175.613 0.021 25125 7 1 . 1 1 3 3 ARG CA C 3 55.991 55.991 56.543 -0.552 25125 8 1 . 1 1 3 3 ARG CB C 3 31.297 31.297 30.423 0.874 25125 9 1 . 1 1 3 3 ARG H H 3 8.429 8.429 8.022 0.407 25125 10 1 . 1 1 4 4 GLY N N 4 107.663 107.663 108.369 -0.706 25125 11 1 . 1 1 4 4 GLY C C 4 171.041 171.041 173.372 -2.331 25125 12 1 . 1 1 4 4 GLY CA C 4 45.316 45.316 44.533 0.783 25125 13 1 . 1 1 4 4 GLY H H 4 7.963 7.963 7.779 0.184 25125 14 1 . 1 1 5 5 ILE N N 5 122.603 122.603 125.006 -2.403 25125 15 1 . 1 1 5 5 ILE HA H 5 4.699 4.699 4.030 0.669 25125 16 1 . 1 1 5 5 ILE C C 5 175.359 175.359 174.956 0.403 25125 17 1 . 1 1 5 5 ILE CA C 5 60.610 60.610 61.719 -1.109 25125 18 1 . 1 1 5 5 ILE CB C 5 39.576 39.576 39.246 0.330 25125 19 1 . 1 1 5 5 ILE H H 5 9.610 9.610 8.138 1.472 25125 20 1 . 1 1 6 6 VAL N N 6 127.905 127.905 125.401 2.504 25125 21 1 . 1 1 6 6 VAL HA H 6 4.812 4.812 4.948 -0.136 25125 22 1 . 1 1 6 6 VAL C C 6 174.204 174.204 175.396 -1.192 25125 23 1 . 1 1 6 6 VAL CA C 6 59.559 59.559 60.545 -0.986 25125 24 1 . 1 1 6 6 VAL CB C 6 34.526 34.526 33.568 0.958 25125 25 1 . 1 1 6 6 VAL H H 6 9.090 9.090 7.951 1.139 25125 26 1 . 1 1 7 7 TRP N N 7 127.467 127.467 128.008 -0.541 25125 27 1 . 1 1 7 7 TRP HA H 7 6.454 6.454 5.252 1.202 25125 28 1 . 1 1 7 7 TRP C C 7 175.056 175.056 175.297 -0.241 25125 29 1 . 1 1 7 7 TRP CA C 7 52.878 52.878 54.437 -1.559 25125 30 1 . 1 1 7 7 TRP CB C 7 33.134 33.134 31.897 1.237 25125 31 1 . 1 1 7 7 TRP H H 7 8.497 8.497 8.385 0.112 25125 32 1 . 1 1 8 8 VAL N N 8 122.068 122.068 119.622 2.446 25125 33 1 . 1 1 8 8 VAL HA H 8 5.086 5.086 4.535 0.551 25125 34 1 . 1 1 8 8 VAL C C 8 173.874 173.874 174.141 -0.267 25125 35 1 . 1 1 8 8 VAL CA C 8 60.486 60.486 61.250 -0.764 25125 36 1 . 1 1 8 8 VAL CB C 8 35.715 35.715 35.320 0.395 25125 37 1 . 1 1 8 8 VAL H H 8 8.583 8.583 9.273 -0.690 25125 38 1 . 1 1 9 9 VAL N N 9 127.733 127.733 124.691 3.042 25125 39 1 . 1 1 9 9 VAL HA H 9 4.961 4.961 4.567 0.394 25125 40 1 . 1 1 9 9 VAL C C 9 173.131 173.131 173.618 -0.487 25125 41 1 . 1 1 9 9 VAL CA C 9 59.675 59.675 60.722 -1.047 25125 42 1 . 1 1 9 9 VAL CB C 9 32.911 32.911 33.628 -0.717 25125 43 1 . 1 1 9 9 VAL H H 9 9.107 9.107 8.470 0.637 25125 44 1 . 1 1 10 10 ASP N N 10 124.306 124.306 125.862 -1.556 25125 45 1 . 1 1 10 10 ASP HA H 10 4.569 4.569 4.943 -0.374 25125 46 1 . 1 1 10 10 ASP C C 10 175.029 175.029 174.771 0.258 25125 47 1 . 1 1 10 10 ASP CA C 10 54.747 54.747 53.465 1.282 25125 48 1 . 1 1 10 10 ASP CB C 10 44.109 44.109 43.424 0.685 25125 49 1 . 1 1 10 10 ASP H H 10 7.775 7.775 8.056 -0.281 25125 50 1 . 1 1 11 11 ASP N N 11 126.714 126.714 117.887 8.827 25125 51 1 . 1 1 11 11 ASP HA H 11 4.535 4.535 4.835 -0.300 25125 52 1 . 1 1 11 11 ASP C C 11 175.689 175.689 174.897 0.792 25125 53 1 . 1 1 11 11 ASP CA C 11 55.718 55.718 53.879 1.839 25125 54 1 . 1 1 11 11 ASP CB C 11 42.074 42.074 42.080 -0.006 25125 55 1 . 1 1 11 11 ASP H H 11 9.033 9.033 8.544 0.489 25125 56 1 . 1 1 12 12 ASP N N 12 121.877 121.877 119.381 2.496 25125 57 1 . 1 1 12 12 ASP HA H 12 4.646 4.646 4.925 -0.279 25125 58 1 . 1 1 12 12 ASP C C 12 177.036 177.036 176.575 0.461 25125 59 1 . 1 1 12 12 ASP CA C 12 53.303 53.303 53.434 -0.131 25125 60 1 . 1 1 12 12 ASP CB C 12 41.164 41.164 43.709 -2.545 25125 61 1 . 1 1 12 12 ASP H H 12 9.570 9.570 8.000 1.570 25125 62 1 . 1 1 13 13 SER N N 13 123.799 123.799 118.317 5.482 25125 63 1 . 1 1 13 13 SER HA H 13 3.761 3.761 4.296 -0.535 25125 64 1 . 1 1 13 13 SER C C 13 176.156 176.156 176.052 0.104 25125 65 1 . 1 1 13 13 SER CA C 13 61.186 61.186 61.648 -0.462 25125 66 1 . 1 1 13 13 SER CB C 13 62.749 62.749 63.356 -0.607 25125 67 1 . 1 1 13 13 SER H H 13 8.850 8.850 8.802 0.048 25125 68 1 . 1 1 14 14 SER N N 14 119.123 119.123 117.559 1.564 25125 69 1 . 1 1 14 14 SER HA H 14 4.361 4.361 4.383 -0.022 25125 70 1 . 1 1 14 14 SER C C 14 176.404 176.404 176.599 -0.195 25125 71 1 . 1 1 14 14 SER CA C 14 61.730 61.730 61.313 0.417 25125 72 1 . 1 1 14 14 SER CB C 14 62.548 62.548 62.712 -0.164 25125 73 1 . 1 1 14 14 SER H H 14 8.531 8.531 8.648 -0.117 25125 74 1 . 1 1 15 15 ILE N N 15 123.637 123.637 121.535 2.102 25125 75 1 . 1 1 15 15 ILE HA H 15 3.945 3.945 3.940 0.005 25125 76 1 . 1 1 15 15 ILE C C 15 177.861 177.861 177.796 0.065 25125 77 1 . 1 1 15 15 ILE CA C 15 61.200 61.200 63.417 -2.217 25125 78 1 . 1 1 15 15 ILE CB C 15 35.886 35.886 36.986 -1.100 25125 79 1 . 1 1 15 15 ILE H H 15 7.206 7.206 8.156 -0.950 25125 80 1 . 1 1 16 16 ARG N N 16 116.694 116.694 119.069 -2.375 25125 81 1 . 1 1 16 16 ARG HA H 16 3.723 3.723 4.280 -0.557 25125 82 1 . 1 1 16 16 ARG C C 16 177.448 177.448 178.312 -0.864 25125 83 1 . 1 1 16 16 ARG CA C 16 61.573 61.573 58.849 2.724 25125 84 1 . 1 1 16 16 ARG CB C 16 30.447 30.447 29.923 0.524 25125 85 1 . 1 1 16 16 ARG H H 16 7.562 7.562 7.605 -0.043 25125 86 1 . 1 1 17 17 TRP N N 17 116.848 116.848 123.073 -6.225 25125 87 1 . 1 1 17 17 TRP HA H 17 4.471 4.471 4.384 0.087 25125 88 1 . 1 1 17 17 TRP CA C 17 60.440 60.440 61.146 -0.706 25125 89 1 . 1 1 17 17 TRP CB C 17 29.292 29.292 29.586 -0.294 25125 90 1 . 1 1 17 17 TRP H H 17 8.005 8.005 8.236 -0.231 25125 91 1 . 1 1 18 18 VAL N N 18 116.964 116.964 117.505 -0.541 25125 92 1 . 1 1 18 18 VAL HA H 18 3.675 3.675 2.798 0.877 25125 93 1 . 1 1 18 18 VAL C C 18 179.181 179.181 177.555 1.626 25125 94 1 . 1 1 18 18 VAL CA C 18 65.708 65.708 65.645 0.063 25125 95 1 . 1 1 18 18 VAL CB C 18 31.637 31.637 31.093 0.544 25125 96 1 . 1 1 18 18 VAL H H 18 8.110 8.110 8.065 0.045 25125 97 1 . 1 1 19 19 LEU N N 19 120.186 120.186 118.197 1.989 25125 98 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.149 -0.074 25125 99 1 . 1 1 19 19 LEU C C 19 177.778 177.778 178.918 -1.140 25125 100 1 . 1 1 19 19 LEU CA C 19 57.822 57.822 57.136 0.686 25125 101 1 . 1 1 19 19 LEU CB C 19 41.781 41.781 41.638 0.143 25125 102 1 . 1 1 19 19 LEU H H 19 8.073 8.073 7.516 0.557 25125 103 1 . 1 1 20 20 GLU N N 20 120.193 120.193 120.182 0.011 25125 104 1 . 1 1 20 20 GLU HA H 20 3.941 3.941 4.035 -0.094 25125 105 1 . 1 1 20 20 GLU C C 20 178.603 178.603 178.772 -0.169 25125 106 1 . 1 1 20 20 GLU CA C 20 60.610 60.610 59.429 1.181 25125 107 1 . 1 1 20 20 GLU CB C 20 29.088 29.088 29.798 -0.710 25125 108 1 . 1 1 20 20 GLU H H 20 8.387 8.387 8.053 0.334 25125 109 1 . 1 1 21 21 ARG N N 21 116.076 116.076 118.168 -2.092 25125 110 1 . 1 1 21 21 ARG HA H 21 3.893 3.893 3.942 -0.049 25125 111 1 . 1 1 21 21 ARG C C 21 179.676 179.676 178.362 1.314 25125 112 1 . 1 1 21 21 ARG CA C 21 58.449 58.449 58.487 -0.038 25125 113 1 . 1 1 21 21 ARG CB C 21 29.853 29.853 29.147 0.706 25125 114 1 . 1 1 21 21 ARG H H 21 7.602 7.602 8.122 -0.520 25125 115 1 . 1 1 22 22 ALA N N 22 122.405 122.405 122.244 0.161 25125 116 1 . 1 1 22 22 ALA HA H 22 4.097 4.097 4.061 0.036 25125 117 1 . 1 1 22 22 ALA C C 22 180.501 180.501 179.276 1.225 25125 118 1 . 1 1 22 22 ALA CA C 22 54.578 54.578 54.602 -0.024 25125 119 1 . 1 1 22 22 ALA CB C 22 19.232 19.232 18.199 1.033 25125 120 1 . 1 1 22 22 ALA H H 22 7.992 7.992 7.590 0.402 25125 121 1 . 1 1 23 23 LEU N N 23 118.026 118.026 117.885 0.141 25125 122 1 . 1 1 23 23 LEU HA H 23 4.001 4.001 4.178 -0.177 25125 123 1 . 1 1 23 23 LEU C C 23 178.878 178.878 179.055 -0.177 25125 124 1 . 1 1 23 23 LEU CA C 23 57.721 57.721 56.530 1.191 25125 125 1 . 1 1 23 23 LEU CB C 23 39.655 39.655 41.948 -2.293 25125 126 1 . 1 1 23 23 LEU H H 23 8.825 8.825 7.558 1.267 25125 127 1 . 1 1 24 24 ALA N N 24 122.159 122.159 121.992 0.167 25125 128 1 . 1 1 24 24 ALA HA H 24 4.633 4.633 4.020 0.613 25125 129 1 . 1 1 24 24 ALA C C 24 183.141 183.141 179.087 4.054 25125 130 1 . 1 1 24 24 ALA CA C 24 54.747 54.747 54.612 0.135 25125 131 1 . 1 1 24 24 ALA CB C 24 17.702 17.702 18.488 -0.786 25125 132 1 . 1 1 24 24 ALA H H 24 8.125 8.125 8.051 0.074 25125 133 1 . 1 1 25 25 GLY N N 25 106.891 106.891 104.730 2.161 25125 134 1 . 1 1 25 25 GLY C C 25 174.286 174.286 174.347 -0.061 25125 135 1 . 1 1 25 25 GLY CA C 25 46.421 46.421 45.082 1.339 25125 136 1 . 1 1 25 25 GLY H H 25 7.870 7.870 7.895 -0.025 25125 137 1 . 1 1 26 26 ALA N N 26 121.819 121.819 123.296 -1.477 25125 138 1 . 1 1 26 26 ALA HA H 26 4.499 4.499 4.581 -0.082 25125 139 1 . 1 1 26 26 ALA C C 26 176.953 176.953 177.609 -0.656 25125 140 1 . 1 1 26 26 ALA CA C 26 51.519 51.519 51.488 0.031 25125 141 1 . 1 1 26 26 ALA CB C 26 18.722 18.722 20.058 -1.336 25125 142 1 . 1 1 26 26 ALA H H 26 7.285 7.285 7.419 -0.134 25125 143 1 . 1 1 27 27 GLY N N 27 106.197 106.197 106.782 -0.585 25125 144 1 . 1 1 27 27 GLY C C 27 173.956 173.956 173.193 0.763 25125 145 1 . 1 1 27 27 GLY CA C 27 45.316 45.316 45.043 0.274 25125 146 1 . 1 1 27 27 GLY H H 27 7.824 7.824 8.246 -0.422 25125 147 1 . 1 1 28 28 LEU N N 28 120.291 120.291 118.363 1.928 25125 148 1 . 1 1 28 28 LEU HA H 28 4.575 4.575 4.767 -0.192 25125 149 1 . 1 1 28 28 LEU C C 28 175.881 175.881 176.290 -0.409 25125 150 1 . 1 1 28 28 LEU CA C 28 53.643 53.643 53.064 0.579 25125 151 1 . 1 1 28 28 LEU CB C 28 42.485 42.485 44.534 -2.049 25125 152 1 . 1 1 28 28 LEU H H 28 7.678 7.678 7.364 0.314 25125 153 1 . 1 1 29 29 THR N N 29 118.040 118.040 116.800 1.240 25125 154 1 . 1 1 29 29 THR HA H 29 4.335 4.335 4.264 0.071 25125 155 1 . 1 1 29 29 THR C C 29 173.186 173.186 173.975 -0.789 25125 156 1 . 1 1 29 29 THR CA C 29 62.479 62.479 63.915 -1.436 25125 157 1 . 1 1 29 29 THR CB C 29 69.465 69.465 69.575 -0.110 25125 158 1 . 1 1 29 29 THR H H 29 8.527 8.527 8.495 0.032 25125 159 1 . 1 1 30 30 CYS N N 30 128.387 128.387 121.682 6.705 25125 160 1 . 1 1 30 30 CYS HA H 30 5.943 5.943 5.457 0.486 25125 161 1 . 1 1 30 30 CYS C C 30 173.846 173.846 174.100 -0.254 25125 162 1 . 1 1 30 30 CYS CA C 30 56.362 56.362 56.835 -0.473 25125 163 1 . 1 1 30 30 CYS CB C 30 29.480 29.480 30.431 -0.951 25125 164 1 . 1 1 30 30 CYS H H 30 8.968 8.968 8.458 0.510 25125 165 1 . 1 1 31 31 THR N N 31 126.481 126.481 123.688 2.793 25125 166 1 . 1 1 31 31 THR HA H 31 4.433 4.433 4.408 0.025 25125 167 1 . 1 1 31 31 THR C C 31 172.609 172.609 173.389 -0.780 25125 168 1 . 1 1 31 31 THR CA C 31 61.951 61.951 61.660 0.291 25125 169 1 . 1 1 31 31 THR CB C 31 70.567 70.567 69.925 0.642 25125 170 1 . 1 1 31 31 THR H H 31 8.614 8.614 8.478 0.136 25125 171 1 . 1 1 32 32 THR N N 32 116.418 116.418 118.316 -1.898 25125 172 1 . 1 1 32 32 THR HA H 32 5.330 5.330 5.064 0.266 25125 173 1 . 1 1 32 32 THR C C 32 172.306 172.306 173.197 -0.891 25125 174 1 . 1 1 32 32 THR CA C 32 59.173 59.173 60.381 -1.208 25125 175 1 . 1 1 32 32 THR CB C 32 70.917 70.917 69.930 0.987 25125 176 1 . 1 1 32 32 THR H H 32 8.299 8.299 8.233 0.066 25125 177 1 . 1 1 33 33 PHE N N 33 118.067 118.067 124.771 -6.704 25125 178 1 . 1 1 33 33 PHE HA H 33 4.643 4.643 4.699 -0.056 25125 179 1 . 1 1 33 33 PHE C C 33 174.341 174.341 175.453 -1.112 25125 180 1 . 1 1 33 33 PHE CA C 33 56.532 56.532 56.998 -0.466 25125 181 1 . 1 1 33 33 PHE CB C 33 43.309 43.309 41.690 1.619 25125 182 1 . 1 1 33 33 PHE H H 33 8.890 8.890 8.653 0.237 25125 183 1 . 1 1 34 34 GLU N N 34 118.499 118.499 115.345 3.154 25125 184 1 . 1 1 34 34 GLU HA H 34 4.354 4.354 4.646 -0.292 25125 185 1 . 1 1 34 34 GLU C C 34 175.414 175.414 175.088 0.326 25125 186 1 . 1 1 34 34 GLU CA C 34 56.692 56.692 56.192 0.500 25125 187 1 . 1 1 34 34 GLU CB C 34 31.467 31.467 30.680 0.787 25125 188 1 . 1 1 34 34 GLU H H 34 9.023 9.023 8.741 0.282 25125 189 1 . 1 1 35 35 ASN N N 35 109.907 109.907 118.145 -8.238 25125 190 1 . 1 1 35 35 ASN HA H 35 4.781 4.781 4.906 -0.125 25125 191 1 . 1 1 35 35 ASN C C 35 175.139 175.139 176.099 -0.960 25125 192 1 . 1 1 35 35 ASN CA C 35 52.146 52.146 52.824 -0.678 25125 193 1 . 1 1 35 35 ASN CB C 35 41.323 41.323 40.256 1.067 25125 194 1 . 1 1 35 35 ASN H H 35 7.401 7.401 7.932 -0.531 25125 195 1 . 1 1 36 36 GLY N N 36 106.739 106.739 110.925 -4.186 25125 196 1 . 1 1 36 36 GLY C C 36 174.616 174.616 175.349 -0.733 25125 197 1 . 1 1 36 36 GLY CA C 36 47.016 47.016 46.830 0.186 25125 198 1 . 1 1 36 36 GLY H H 36 8.877 8.877 8.800 0.077 25125 199 1 . 1 1 37 37 ASN N N 37 120.462 120.462 119.088 1.374 25125 200 1 . 1 1 37 37 ASN HA H 37 4.362 4.362 4.458 -0.096 25125 201 1 . 1 1 37 37 ASN C C 37 178.686 178.686 176.872 1.814 25125 202 1 . 1 1 37 37 ASN CA C 37 56.532 56.532 55.636 0.896 25125 203 1 . 1 1 37 37 ASN CB C 37 37.584 37.584 38.276 -0.692 25125 204 1 . 1 1 37 37 ASN H H 37 8.366 8.366 8.514 -0.148 25125 205 1 . 1 1 38 38 GLU N N 38 119.360 119.360 118.042 1.318 25125 206 1 . 1 1 38 38 GLU HA H 38 4.070 4.070 4.211 -0.141 25125 207 1 . 1 1 38 38 GLU C C 38 179.263 179.263 177.664 1.599 25125 208 1 . 1 1 38 38 GLU CA C 38 58.632 58.632 57.835 0.797 25125 209 1 . 1 1 38 38 GLU CB C 38 30.532 30.532 29.584 0.948 25125 210 1 . 1 1 38 38 GLU H H 38 7.990 7.990 8.003 -0.013 25125 211 1 . 1 1 39 39 VAL N N 39 119.259 119.259 119.158 0.101 25125 212 1 . 1 1 39 39 VAL HA H 39 2.768 2.768 3.171 -0.403 25125 213 1 . 1 1 39 39 VAL C C 39 176.431 176.431 177.404 -0.973 25125 214 1 . 1 1 39 39 VAL CA C 39 64.943 64.943 64.593 0.350 25125 215 1 . 1 1 39 39 VAL CB C 39 31.075 31.075 31.699 -0.624 25125 216 1 . 1 1 39 39 VAL H H 39 6.883 6.883 7.569 -0.686 25125 217 1 . 1 1 40 40 LEU N N 40 119.627 119.627 121.454 -1.827 25125 218 1 . 1 1 40 40 LEU HA H 40 3.927 3.927 3.987 -0.060 25125 219 1 . 1 1 40 40 LEU C C 40 179.538 179.538 178.149 1.389 25125 220 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.208 -0.268 25125 221 1 . 1 1 40 40 LEU CB C 40 41.068 41.068 41.371 -0.303 25125 222 1 . 1 1 40 40 LEU H H 40 7.692 7.692 7.820 -0.128 25125 223 1 . 1 1 41 41 ALA N N 41 120.051 120.051 119.978 0.073 25125 224 1 . 1 1 41 41 ALA HA H 41 4.140 4.140 4.126 0.014 25125 225 1 . 1 1 41 41 ALA C C 41 180.528 180.528 179.385 1.143 25125 226 1 . 1 1 41 41 ALA CA C 41 54.650 54.650 54.506 0.144 25125 227 1 . 1 1 41 41 ALA CB C 41 17.866 17.866 17.955 -0.089 25125 228 1 . 1 1 41 41 ALA H H 41 7.553 7.553 7.799 -0.246 25125 229 1 . 1 1 42 42 ALA N N 42 122.731 122.731 122.030 0.701 25125 230 1 . 1 1 42 42 ALA HA H 42 4.199 4.199 4.142 0.057 25125 231 1 . 1 1 42 42 ALA C C 42 180.198 180.198 180.236 -0.038 25125 232 1 . 1 1 42 42 ALA CA C 42 55.032 55.032 54.516 0.516 25125 233 1 . 1 1 42 42 ALA CB C 42 19.399 19.399 18.131 1.268 25125 234 1 . 1 1 42 42 ALA H H 42 7.604 7.604 7.286 0.318 25125 235 1 . 1 1 43 43 LEU N N 43 119.131 119.131 118.663 0.468 25125 236 1 . 1 1 43 43 LEU HA H 43 5.206 5.206 4.021 1.185 25125 237 1 . 1 1 43 43 LEU C C 43 177.421 177.421 178.859 -1.438 25125 238 1 . 1 1 43 43 LEU CA C 43 55.545 55.545 57.469 -1.924 25125 239 1 . 1 1 43 43 LEU CB C 43 42.604 42.604 41.139 1.465 25125 240 1 . 1 1 43 43 LEU H H 43 8.288 8.288 8.013 0.275 25125 241 1 . 1 1 44 44 ALA N N 44 119.065 119.065 118.598 0.467 25125 242 1 . 1 1 44 44 ALA HA H 44 4.229 4.229 4.188 0.041 25125 243 1 . 1 1 44 44 ALA C C 44 178.686 178.686 178.497 0.189 25125 244 1 . 1 1 44 44 ALA CA C 44 54.238 54.238 53.847 0.391 25125 245 1 . 1 1 44 44 ALA CB C 44 18.516 18.516 18.433 0.083 25125 246 1 . 1 1 44 44 ALA H H 44 7.302 7.302 7.769 -0.467 25125 247 1 . 1 1 45 45 SER N N 45 108.656 108.656 114.391 -5.735 25125 248 1 . 1 1 45 45 SER HA H 45 4.742 4.742 4.423 0.319 25125 249 1 . 1 1 45 45 SER C C 45 173.296 173.296 175.662 -2.366 25125 250 1 . 1 1 45 45 SER CA C 45 58.656 58.656 60.500 -1.844 25125 251 1 . 1 1 45 45 SER CB C 45 65.407 65.407 63.925 1.482 25125 252 1 . 1 1 45 45 SER H H 45 7.728 7.728 8.057 -0.329 25125 253 1 . 1 1 46 46 LYS N N 46 123.016 123.016 117.601 5.415 25125 254 1 . 1 1 46 46 LYS HA H 46 4.586 4.586 4.573 0.013 25125 255 1 . 1 1 46 46 LYS C C 46 172.719 172.719 175.523 -2.804 25125 256 1 . 1 1 46 46 LYS CA C 46 55.512 55.512 56.394 -0.882 25125 257 1 . 1 1 46 46 LYS CB C 46 36.225 36.225 34.008 2.217 25125 258 1 . 1 1 46 46 LYS H H 46 8.101 8.101 7.859 0.242 25125 259 1 . 1 1 47 47 THR N N 47 111.780 111.780 115.165 -3.385 25125 260 1 . 1 1 47 47 THR HA H 47 4.282 4.282 3.936 0.346 25125 261 1 . 1 1 47 47 THR CA C 47 57.806 57.806 62.064 -4.258 25125 262 1 . 1 1 47 47 THR CB C 47 70.594 70.594 67.910 2.684 25125 263 1 . 1 1 47 47 THR H H 47 7.677 7.677 7.856 -0.179 25125 264 1 . 1 1 48 48 PRO HA H 48 3.905 3.905 3.947 -0.042 25125 265 1 . 1 1 48 48 PRO C C 48 172.966 172.966 175.470 -2.504 25125 266 1 . 1 1 48 48 PRO CA C 48 60.865 60.865 62.125 -1.260 25125 267 1 . 1 1 48 48 PRO CB C 48 30.277 30.277 31.628 -1.351 25125 268 1 . 1 1 49 49 ASP N N 49 115.035 115.035 118.246 -3.211 25125 269 1 . 1 1 49 49 ASP HA H 49 4.444 4.444 4.683 -0.239 25125 270 1 . 1 1 49 49 ASP C C 49 175.634 175.634 175.407 0.227 25125 271 1 . 1 1 49 49 ASP CA C 49 56.447 56.447 54.943 1.504 25125 272 1 . 1 1 49 49 ASP CB C 49 42.512 42.512 42.866 -0.354 25125 273 1 . 1 1 49 49 ASP H H 49 8.502 8.502 8.098 0.404 25125 274 1 . 1 1 50 50 VAL N N 50 112.082 112.082 115.723 -3.641 25125 275 1 . 1 1 50 50 VAL HA H 50 4.280 4.280 4.522 -0.242 25125 276 1 . 1 1 50 50 VAL C C 50 171.454 171.454 172.906 -1.452 25125 277 1 . 1 1 50 50 VAL CA C 50 60.562 60.562 61.560 -0.998 25125 278 1 . 1 1 50 50 VAL CB C 50 34.636 34.636 34.244 0.392 25125 279 1 . 1 1 50 50 VAL H H 50 7.173 7.173 7.123 0.050 25125 280 1 . 1 1 51 51 LEU N N 51 128.247 128.247 126.030 2.217 25125 281 1 . 1 1 51 51 LEU HA H 51 5.319 5.319 5.292 0.027 25125 282 1 . 1 1 51 51 LEU C C 51 173.104 173.104 175.093 -1.989 25125 283 1 . 1 1 51 51 LEU CA C 51 53.218 53.218 53.284 -0.066 25125 284 1 . 1 1 51 51 LEU CB C 51 46.506 46.506 46.333 0.173 25125 285 1 . 1 1 51 51 LEU H H 51 8.059 8.059 8.106 -0.047 25125 286 1 . 1 1 52 52 LEU N N 52 128.407 128.407 121.453 6.954 25125 287 1 . 1 1 52 52 LEU HA H 52 5.501 5.501 5.028 0.473 25125 288 1 . 1 1 52 52 LEU C C 52 175.414 175.414 176.015 -0.601 25125 289 1 . 1 1 52 52 LEU CA C 52 54.323 54.323 54.199 0.124 25125 290 1 . 1 1 52 52 LEU CB C 52 44.521 44.521 42.642 1.879 25125 291 1 . 1 1 52 52 LEU H H 52 9.242 9.242 8.380 0.862 25125 292 1 . 1 1 53 53 SER N N 53 114.946 114.946 117.632 -2.686 25125 293 1 . 1 1 53 53 SER HA H 53 5.595 5.595 4.529 1.066 25125 294 1 . 1 1 53 53 SER C C 53 174.644 174.644 173.945 0.699 25125 295 1 . 1 1 53 53 SER CA C 53 55.954 55.954 58.471 -2.516 25125 296 1 . 1 1 53 53 SER CB C 53 66.473 66.473 64.612 1.861 25125 297 1 . 1 1 53 53 SER H H 53 8.695 8.695 7.988 0.707 25125 298 1 . 1 1 54 54 ASP N N 54 128.341 128.341 125.472 2.869 25125 299 1 . 1 1 54 54 ASP HA H 54 5.325 5.325 4.901 0.424 25125 300 1 . 1 1 54 54 ASP C C 54 176.816 176.816 176.010 0.806 25125 301 1 . 1 1 54 54 ASP CA C 54 54.493 54.493 53.482 1.011 25125 302 1 . 1 1 54 54 ASP CB C 54 42.328 42.328 42.696 -0.368 25125 303 1 . 1 1 54 54 ASP H H 54 7.886 7.886 8.207 -0.321 25125 304 1 . 1 1 55 55 ILE N N 55 121.229 121.229 120.221 1.008 25125 305 1 . 1 1 55 55 ILE HA H 55 4.185 4.185 3.920 0.265 25125 306 1 . 1 1 55 55 ILE C C 55 175.084 175.084 174.392 0.692 25125 307 1 . 1 1 55 55 ILE CA C 55 61.542 61.542 61.853 -0.311 25125 308 1 . 1 1 55 55 ILE CB C 55 39.029 39.029 36.547 2.482 25125 309 1 . 1 1 55 55 ILE H H 55 8.722 8.722 8.110 0.612 25125 310 1 . 1 1 56 56 ARG N N 56 124.188 124.188 122.943 1.245 25125 311 1 . 1 1 56 56 ARG HA H 56 4.505 4.505 4.514 -0.009 25125 312 1 . 1 1 56 56 ARG C C 56 175.661 175.661 174.949 0.712 25125 313 1 . 1 1 56 56 ARG CA C 56 55.441 55.441 55.878 -0.437 25125 314 1 . 1 1 56 56 ARG CB C 56 30.362 30.362 31.309 -0.947 25125 315 1 . 1 1 56 56 ARG H H 56 8.499 8.499 8.419 0.080 25125 316 1 . 1 1 57 57 MET N N 57 122.581 122.581 118.741 3.840 25125 317 1 . 1 1 57 57 MET HA H 57 4.821 4.821 5.002 -0.181 25125 318 1 . 1 1 57 57 MET CA C 57 53.132 53.132 52.966 0.166 25125 319 1 . 1 1 57 57 MET CB C 57 33.445 33.445 33.055 0.390 25125 320 1 . 1 1 57 57 MET H H 57 7.956 7.956 7.850 0.106 25125 321 1 . 1 1 58 58 PRO HA H 58 4.393 4.393 4.418 -0.025 25125 322 1 . 1 1 58 58 PRO C C 58 177.806 177.806 177.902 -0.096 25125 323 1 . 1 1 58 58 PRO CA C 58 63.499 63.499 64.139 -0.640 25125 324 1 . 1 1 58 58 PRO CB C 58 31.807 31.807 31.988 -0.181 25125 325 1 . 1 1 59 59 GLY N N 59 111.082 111.082 108.131 2.951 25125 326 1 . 1 1 59 59 GLY C C 59 173.626 173.626 174.656 -1.030 25125 327 1 . 1 1 59 59 GLY CA C 59 45.590 45.590 45.457 0.133 25125 328 1 . 1 1 59 59 GLY H H 59 8.653 8.653 8.313 0.340 25125 329 1 . 1 1 60 60 MET N N 60 120.052 120.052 121.000 -0.948 25125 330 1 . 1 1 60 60 MET HA H 60 4.525 4.525 4.412 0.113 25125 331 1 . 1 1 60 60 MET C C 60 173.956 173.956 175.892 -1.936 25125 332 1 . 1 1 60 60 MET CA C 60 55.047 55.047 55.752 -0.705 25125 333 1 . 1 1 60 60 MET CB C 60 34.506 34.506 33.305 1.201 25125 334 1 . 1 1 60 60 MET H H 60 7.968 7.968 8.061 -0.093 25125 335 1 . 1 1 61 61 ASP N N 61 121.306 121.306 119.889 1.417 25125 336 1 . 1 1 61 61 ASP HA H 61 4.704 4.704 4.546 0.158 25125 337 1 . 1 1 61 61 ASP C C 61 176.761 176.761 177.218 -0.457 25125 338 1 . 1 1 61 61 ASP CA C 61 53.729 53.729 55.316 -1.587 25125 339 1 . 1 1 61 61 ASP CB C 61 41.069 41.069 40.899 0.170 25125 340 1 . 1 1 61 61 ASP H H 61 8.379 8.379 8.495 -0.116 25125 341 1 . 1 1 62 62 GLY N N 62 110.874 110.874 107.339 3.535 25125 342 1 . 1 1 62 62 GLY C C 62 175.194 175.194 175.454 -0.260 25125 343 1 . 1 1 62 62 GLY CA C 62 47.101 47.101 46.144 0.957 25125 344 1 . 1 1 62 62 GLY H H 62 8.707 8.707 8.268 0.439 25125 345 1 . 1 1 63 63 LEU N N 63 121.299 121.299 121.296 0.003 25125 346 1 . 1 1 63 63 LEU HA H 63 4.177 4.177 4.455 -0.278 25125 347 1 . 1 1 63 63 LEU C C 63 178.356 178.356 178.173 0.183 25125 348 1 . 1 1 63 63 LEU CA C 63 56.878 56.878 55.831 1.047 25125 349 1 . 1 1 63 63 LEU CB C 63 41.238 41.238 40.458 0.780 25125 350 1 . 1 1 63 63 LEU H H 63 8.045 8.045 7.868 0.177 25125 351 1 . 1 1 64 64 ALA N N 64 122.741 122.741 123.160 -0.419 25125 352 1 . 1 1 64 64 ALA HA H 64 4.062 4.062 4.045 0.017 25125 353 1 . 1 1 64 64 ALA C C 64 180.556 180.556 179.121 1.435 25125 354 1 . 1 1 64 64 ALA CA C 64 54.615 54.615 55.161 -0.546 25125 355 1 . 1 1 64 64 ALA CB C 64 18.000 18.000 17.954 0.046 25125 356 1 . 1 1 64 64 ALA H H 64 7.859 7.859 8.169 -0.310 25125 357 1 . 1 1 65 65 LEU N N 65 120.287 120.287 114.753 5.534 25125 358 1 . 1 1 65 65 LEU HA H 65 4.062 4.062 4.369 -0.307 25125 359 1 . 1 1 65 65 LEU C C 65 178.191 178.191 178.596 -0.405 25125 360 1 . 1 1 65 65 LEU CA C 65 58.019 58.019 56.697 1.322 25125 361 1 . 1 1 65 65 LEU CB C 65 41.238 41.238 42.049 -0.811 25125 362 1 . 1 1 65 65 LEU H H 65 8.022 8.022 7.668 0.354 25125 363 1 . 1 1 66 66 LEU N N 66 118.738 118.738 120.723 -1.985 25125 364 1 . 1 1 66 66 LEU HA H 66 3.858 3.858 4.119 -0.261 25125 365 1 . 1 1 66 66 LEU C C 66 178.631 178.631 178.800 -0.169 25125 366 1 . 1 1 66 66 LEU CA C 66 58.346 58.346 57.089 1.257 25125 367 1 . 1 1 66 66 LEU CB C 66 41.238 41.238 41.039 0.199 25125 368 1 . 1 1 66 66 LEU H H 66 8.101 8.101 7.817 0.284 25125 369 1 . 1 1 67 67 LYS N N 67 117.842 117.842 117.398 0.444 25125 370 1 . 1 1 67 67 LYS HA H 67 3.982 3.982 4.085 -0.103 25125 371 1 . 1 1 67 67 LYS C C 67 179.263 179.263 178.803 0.460 25125 372 1 . 1 1 67 67 LYS CA C 67 59.797 59.797 58.888 0.909 25125 373 1 . 1 1 67 67 LYS CB C 67 32.207 32.207 32.013 0.194 25125 374 1 . 1 1 67 67 LYS H H 67 8.010 8.010 8.280 -0.270 25125 375 1 . 1 1 68 68 GLN N N 68 118.875 118.875 117.920 0.955 25125 376 1 . 1 1 68 68 GLN HA H 68 4.056 4.056 4.265 -0.209 25125 377 1 . 1 1 68 68 GLN C C 68 179.071 179.071 177.684 1.387 25125 378 1 . 1 1 68 68 GLN CA C 68 59.073 59.073 58.228 0.845 25125 379 1 . 1 1 68 68 GLN CB C 68 28.611 28.611 28.718 -0.107 25125 380 1 . 1 1 68 68 GLN H H 68 7.809 7.809 7.648 0.161 25125 381 1 . 1 1 69 69 ILE N N 69 120.377 120.377 121.422 -1.045 25125 382 1 . 1 1 69 69 ILE HA H 69 3.530 3.530 3.935 -0.405 25125 383 1 . 1 1 69 69 ILE C C 69 177.421 177.421 178.196 -0.775 25125 384 1 . 1 1 69 69 ILE CA C 69 65.878 65.878 64.888 0.990 25125 385 1 . 1 1 69 69 ILE CB C 69 37.584 37.584 37.684 -0.101 25125 386 1 . 1 1 69 69 ILE H H 69 8.481 8.481 7.734 0.747 25125 387 1 . 1 1 70 70 LYS N N 70 117.873 117.873 118.181 -0.308 25125 388 1 . 1 1 70 70 LYS HA H 70 3.960 3.960 4.168 -0.208 25125 389 1 . 1 1 70 70 LYS C C 70 178.053 178.053 178.073 -0.020 25125 390 1 . 1 1 70 70 LYS CA C 70 57.088 57.088 58.580 -1.492 25125 391 1 . 1 1 70 70 LYS CB C 70 31.212 31.212 32.079 -0.867 25125 392 1 . 1 1 70 70 LYS H H 70 8.220 8.220 7.827 0.393 25125 393 1 . 1 1 71 71 GLN N N 71 116.315 116.315 117.561 -1.246 25125 394 1 . 1 1 71 71 GLN HA H 71 3.992 3.992 4.189 -0.197 25125 395 1 . 1 1 71 71 GLN C C 71 177.366 177.366 177.853 -0.487 25125 396 1 . 1 1 71 71 GLN CA C 71 58.190 58.190 57.961 0.229 25125 397 1 . 1 1 71 71 GLN CB C 71 28.665 28.665 29.074 -0.409 25125 398 1 . 1 1 71 71 GLN H H 71 7.601 7.601 7.573 0.028 25125 399 1 . 1 1 72 72 ARG N N 72 116.530 116.530 117.558 -1.028 25125 400 1 . 1 1 72 72 ARG HA H 72 4.030 4.030 4.103 -0.073 25125 401 1 . 1 1 72 72 ARG C C 72 175.826 175.826 176.224 -0.398 25125 402 1 . 1 1 72 72 ARG CA C 72 57.222 57.222 57.278 -0.056 25125 403 1 . 1 1 72 72 ARG CB C 72 31.802 31.802 31.582 0.220 25125 404 1 . 1 1 72 72 ARG H H 72 7.301 7.301 8.129 -0.828 25125 405 1 . 1 1 73 73 HIS N N 73 116.755 116.755 116.589 0.166 25125 406 1 . 1 1 73 73 HIS HA H 73 4.960 4.960 4.947 0.013 25125 407 1 . 1 1 73 73 HIS CA C 73 53.218 53.218 53.326 -0.108 25125 408 1 . 1 1 73 73 HIS CB C 73 30.562 30.562 30.215 0.347 25125 409 1 . 1 1 73 73 HIS H H 73 8.331 8.331 7.804 0.527 25125 410 1 . 1 1 74 74 PRO HA H 74 4.499 4.499 4.434 0.065 25125 411 1 . 1 1 74 74 PRO C C 74 178.466 178.466 177.501 0.965 25125 412 1 . 1 1 74 74 PRO CA C 74 65.113 65.113 64.890 0.223 25125 413 1 . 1 1 74 74 PRO CB C 74 32.095 32.095 32.206 -0.111 25125 414 1 . 1 1 75 75 MET N N 75 114.814 114.814 114.643 0.171 25125 415 1 . 1 1 75 75 MET HA H 75 4.567 4.567 4.514 0.053 25125 416 1 . 1 1 75 75 MET C C 75 176.046 176.046 175.582 0.464 25125 417 1 . 1 1 75 75 MET CA C 75 54.266 54.266 55.570 -1.304 25125 418 1 . 1 1 75 75 MET CB C 75 31.288 31.288 32.311 -1.023 25125 419 1 . 1 1 75 75 MET H H 75 8.623 8.623 7.793 0.830 25125 420 1 . 1 1 76 76 LEU N N 76 125.533 125.533 123.283 2.250 25125 421 1 . 1 1 76 76 LEU HA H 76 4.305 4.305 4.761 -0.456 25125 422 1 . 1 1 76 76 LEU CA C 76 53.112 53.112 51.375 1.737 25125 423 1 . 1 1 76 76 LEU CB C 76 43.685 43.685 43.448 0.237 25125 424 1 . 1 1 76 76 LEU H H 76 7.337 7.337 7.205 0.132 25125 425 1 . 1 1 77 77 PRO HA H 77 4.446 4.446 4.514 -0.068 25125 426 1 . 1 1 77 77 PRO C C 77 174.974 174.974 175.335 -0.361 25125 427 1 . 1 1 77 77 PRO CA C 77 62.827 62.827 62.521 0.306 25125 428 1 . 1 1 77 77 PRO CB C 77 31.722 31.722 32.246 -0.524 25125 429 1 . 1 1 78 78 VAL N N 78 123.779 123.779 121.070 2.709 25125 430 1 . 1 1 78 78 VAL HA H 78 5.024 5.024 4.603 0.421 25125 431 1 . 1 1 78 78 VAL C C 78 175.441 175.441 175.314 0.127 25125 432 1 . 1 1 78 78 VAL CA C 78 60.193 60.193 60.737 -0.544 25125 433 1 . 1 1 78 78 VAL CB C 78 34.294 34.294 35.863 -1.569 25125 434 1 . 1 1 78 78 VAL H H 78 8.317 8.317 8.174 0.143 25125 435 1 . 1 1 79 79 ILE N N 79 128.334 128.334 121.703 6.631 25125 436 1 . 1 1 79 79 ILE HA H 79 4.481 4.481 4.773 -0.292 25125 437 1 . 1 1 79 79 ILE C C 79 174.479 174.479 174.765 -0.286 25125 438 1 . 1 1 79 79 ILE CA C 79 59.522 59.522 60.086 -0.564 25125 439 1 . 1 1 79 79 ILE CB C 79 39.963 39.963 41.867 -1.904 25125 440 1 . 1 1 79 79 ILE H H 79 9.292 9.292 8.454 0.838 25125 441 1 . 1 1 80 80 ILE N N 80 127.023 127.023 125.530 1.493 25125 442 1 . 1 1 80 80 ILE HA H 80 4.859 4.859 4.368 0.491 25125 443 1 . 1 1 80 80 ILE C C 80 175.029 175.029 175.107 -0.078 25125 444 1 . 1 1 80 80 ILE CA C 80 58.157 58.157 59.773 -1.616 25125 445 1 . 1 1 80 80 ILE CB C 80 37.944 37.944 39.081 -1.137 25125 446 1 . 1 1 80 80 ILE H H 80 7.938 7.938 8.814 -0.876 25125 447 1 . 1 1 81 81 MET N N 81 127.255 127.255 125.819 1.436 25125 448 1 . 1 1 81 81 MET HA H 81 5.521 5.521 5.411 0.110 25125 449 1 . 1 1 81 81 MET C C 81 174.534 174.534 175.448 -0.914 25125 450 1 . 1 1 81 81 MET CA C 81 53.513 53.513 55.089 -1.576 25125 451 1 . 1 1 81 81 MET CB C 81 35.483 35.483 35.397 0.086 25125 452 1 . 1 1 81 81 MET H H 81 8.801 8.801 8.468 0.333 25125 453 1 . 1 1 82 82 THR N N 82 112.857 112.857 117.572 -4.715 25125 454 1 . 1 1 82 82 THR HA H 82 4.914 4.914 4.455 0.459 25125 455 1 . 1 1 82 82 THR C C 82 172.581 172.581 173.549 -0.968 25125 456 1 . 1 1 82 82 THR CA C 82 59.561 59.561 63.188 -3.627 25125 457 1 . 1 1 82 82 THR CB C 82 69.989 69.989 69.675 0.314 25125 458 1 . 1 1 82 82 THR H H 82 7.623 7.623 8.342 -0.719 25125 459 1 . 1 1 83 83 ALA N N 83 129.541 129.541 124.368 5.173 25125 460 1 . 1 1 83 83 ALA HA H 83 4.708 4.708 3.965 0.743 25125 461 1 . 1 1 83 83 ALA CA C 83 52.538 52.538 53.668 -1.130 25125 462 1 . 1 1 83 83 ALA CB C 83 19.147 19.147 17.294 1.853 25125 463 1 . 1 1 83 83 ALA H H 83 9.149 9.149 8.127 1.022 25125 464 1 . 1 1 84 84 HIS HA H 84 4.272 4.272 4.436 -0.164 25125 465 1 . 1 1 84 84 HIS CA C 84 59.700 59.700 55.658 4.042 25125 466 1 . 1 1 84 84 HIS CB C 84 30.018 30.018 29.778 0.240 25125 467 1 . 1 1 85 85 SER N N 85 112.633 112.633 116.006 -3.373 25125 468 1 . 1 1 85 85 SER HA H 85 4.198 4.198 4.188 0.010 25125 469 1 . 1 1 85 85 SER C C 85 174.506 174.506 173.791 0.715 25125 470 1 . 1 1 85 85 SER CA C 85 59.823 59.823 59.966 -0.143 25125 471 1 . 1 1 85 85 SER CB C 85 62.693 62.693 62.978 -0.285 25125 472 1 . 1 1 85 85 SER H H 85 8.224 8.224 8.244 -0.020 25125 473 1 . 1 1 86 86 ASP N N 86 120.886 120.886 122.023 -1.137 25125 474 1 . 1 1 86 86 ASP HA H 86 4.936 4.936 4.457 0.479 25125 475 1 . 1 1 86 86 ASP C C 86 175.881 175.881 176.870 -0.989 25125 476 1 . 1 1 86 86 ASP CA C 86 53.934 53.934 55.504 -1.570 25125 477 1 . 1 1 86 86 ASP CB C 86 42.003 42.003 41.081 0.922 25125 478 1 . 1 1 86 86 ASP H H 86 7.608 7.608 8.085 -0.477 25125 479 1 . 1 1 87 87 LEU N N 87 121.913 121.913 121.092 0.821 25125 480 1 . 1 1 87 87 LEU HA H 87 3.919 3.919 3.681 0.238 25125 481 1 . 1 1 87 87 LEU C C 87 177.586 177.586 177.891 -0.305 25125 482 1 . 1 1 87 87 LEU CA C 87 57.837 57.837 58.317 -0.480 25125 483 1 . 1 1 87 87 LEU CB C 87 42.315 42.315 41.650 0.665 25125 484 1 . 1 1 87 87 LEU H H 87 7.498 7.498 7.838 -0.340 25125 485 1 . 1 1 88 88 ASP N N 88 117.621 117.621 117.823 -0.202 25125 486 1 . 1 1 88 88 ASP HA H 88 4.272 4.272 4.219 0.053 25125 487 1 . 1 1 88 88 ASP C C 88 178.246 178.246 177.536 0.710 25125 488 1 . 1 1 88 88 ASP CA C 88 56.810 56.810 57.463 -0.653 25125 489 1 . 1 1 88 88 ASP CB C 88 40.134 40.134 40.542 -0.408 25125 490 1 . 1 1 88 88 ASP H H 88 8.322 8.322 8.508 -0.186 25125 491 1 . 1 1 89 89 ALA N N 89 122.874 122.874 120.721 2.153 25125 492 1 . 1 1 89 89 ALA HA H 89 4.094 4.094 4.353 -0.259 25125 493 1 . 1 1 89 89 ALA C C 89 179.346 179.346 179.207 0.139 25125 494 1 . 1 1 89 89 ALA CA C 89 54.153 54.153 54.289 -0.136 25125 495 1 . 1 1 89 89 ALA CB C 89 18.261 18.261 18.745 -0.484 25125 496 1 . 1 1 89 89 ALA H H 89 7.838 7.838 7.443 0.395 25125 497 1 . 1 1 90 90 ALA N N 90 121.673 121.673 121.804 -0.131 25125 498 1 . 1 1 90 90 ALA HA H 90 3.933 3.933 4.140 -0.207 25125 499 1 . 1 1 90 90 ALA C C 90 178.686 178.686 179.954 -1.268 25125 500 1 . 1 1 90 90 ALA CA C 90 54.663 54.663 54.699 -0.036 25125 501 1 . 1 1 90 90 ALA CB C 90 18.382 18.382 18.182 0.200 25125 502 1 . 1 1 90 90 ALA H H 90 7.896 7.896 7.961 -0.065 25125 503 1 . 1 1 91 91 VAL N N 91 117.749 117.749 118.450 -0.701 25125 504 1 . 1 1 91 91 VAL HA H 91 3.612 3.612 3.975 -0.363 25125 505 1 . 1 1 91 91 VAL C C 91 178.411 178.411 177.601 0.810 25125 506 1 . 1 1 91 91 VAL CA C 91 65.181 65.181 66.527 -1.346 25125 507 1 . 1 1 91 91 VAL CB C 91 31.637 31.637 31.716 -0.079 25125 508 1 . 1 1 91 91 VAL H H 91 8.098 8.098 8.575 -0.477 25125 509 1 . 1 1 92 92 SER N N 92 114.942 114.942 113.724 1.218 25125 510 1 . 1 1 92 92 SER HA H 92 4.231 4.231 4.439 -0.208 25125 511 1 . 1 1 92 92 SER C C 92 175.826 175.826 175.410 0.416 25125 512 1 . 1 1 92 92 SER CA C 92 60.649 60.649 59.979 0.670 25125 513 1 . 1 1 92 92 SER CB C 92 63.063 63.063 64.064 -1.000 25125 514 1 . 1 1 92 92 SER H H 92 7.825 7.825 7.923 -0.098 25125 515 1 . 1 1 93 93 ALA N N 93 122.580 122.580 123.461 -0.881 25125 516 1 . 1 1 93 93 ALA HA H 93 4.057 4.057 4.240 -0.183 25125 517 1 . 1 1 93 93 ALA C C 93 178.906 178.906 179.457 -0.551 25125 518 1 . 1 1 93 93 ALA CA C 93 54.317 54.317 54.477 -0.160 25125 519 1 . 1 1 93 93 ALA CB C 93 18.297 18.297 18.665 -0.368 25125 520 1 . 1 1 93 93 ALA H H 93 7.861 7.861 8.094 -0.233 25125 521 1 . 1 1 94 94 TYR N N 94 118.447 118.447 120.712 -2.265 25125 522 1 . 1 1 94 94 TYR HA H 94 4.492 4.492 4.277 0.215 25125 523 1 . 1 1 94 94 TYR C C 94 177.393 177.393 177.401 -0.008 25125 524 1 . 1 1 94 94 TYR CA C 94 59.251 59.251 60.055 -0.804 25125 525 1 . 1 1 94 94 TYR CB C 94 38.434 38.434 38.451 -0.017 25125 526 1 . 1 1 94 94 TYR H H 94 8.150 8.150 7.911 0.239 25125 527 1 . 1 1 95 95 GLN N N 95 119.787 119.787 116.013 3.774 25125 528 1 . 1 1 95 95 GLN HA H 95 4.043 4.043 4.033 0.010 25125 529 1 . 1 1 95 95 GLN C C 95 176.981 176.981 176.731 0.250 25125 530 1 . 1 1 95 95 GLN CA C 95 57.466 57.466 56.942 0.524 25125 531 1 . 1 1 95 95 GLN CB C 95 28.089 28.089 27.742 0.347 25125 532 1 . 1 1 95 95 GLN H H 95 8.271 8.271 7.977 0.294 25125 533 1 . 1 1 96 96 GLN N N 96 117.878 117.878 118.671 -0.793 25125 534 1 . 1 1 96 96 GLN HA H 96 4.345 4.345 4.235 0.110 25125 535 1 . 1 1 96 96 GLN C C 96 175.854 175.854 176.120 -0.266 25125 536 1 . 1 1 96 96 GLN CA C 96 56.171 56.171 56.078 0.093 25125 537 1 . 1 1 96 96 GLN CB C 96 28.475 28.475 28.094 0.381 25125 538 1 . 1 1 96 96 GLN H H 96 7.944 7.944 7.772 0.172 25125 539 1 . 1 1 97 97 GLY N N 97 106.670 106.670 105.561 1.109 25125 540 1 . 1 1 97 97 GLY C C 97 174.231 174.231 173.063 1.168 25125 541 1 . 1 1 97 97 GLY CA C 97 45.486 45.486 44.757 0.729 25125 542 1 . 1 1 97 97 GLY H H 97 7.949 7.949 7.770 0.179 25125 543 1 . 1 1 98 98 ALA N N 98 122.898 122.898 121.128 1.770 25125 544 1 . 1 1 98 98 ALA HA H 98 4.375 4.375 4.450 -0.075 25125 545 1 . 1 1 98 98 ALA C C 98 175.991 175.991 175.493 0.498 25125 546 1 . 1 1 98 98 ALA CA C 98 52.168 52.168 50.041 2.127 25125 547 1 . 1 1 98 98 ALA CB C 98 18.969 18.969 20.368 -1.399 25125 548 1 . 1 1 98 98 ALA H H 98 7.808 7.808 7.147 0.661 25125 549 1 . 1 1 99 99 PHE N N 99 123.484 123.484 119.278 4.206 25125 550 1 . 1 1 99 99 PHE HA H 99 4.350 4.350 4.445 -0.095 25125 551 1 . 1 1 99 99 PHE CA C 99 59.456 59.456 57.447 2.009 25125 552 1 . 1 1 99 99 PHE CB C 99 40.440 40.440 41.250 -0.810 25125 553 1 . 1 1 99 99 PHE H H 99 7.704 7.704 8.235 -0.531 25125 554 1 . 1 1 100 100 ASP HA H 100 4.504 4.504 3.889 0.615 25125 555 1 . 1 1 100 100 ASP CA C 100 52.482 52.482 54.122 -1.640 25125 556 1 . 1 1 100 100 ASP CB C 100 44.200 44.200 40.338 3.862 25125 557 1 . 1 1 101 101 TYR N N 101 118.148 118.148 121.025 -2.877 25125 558 1 . 1 1 101 101 TYR HA H 101 5.448 5.448 4.480 0.968 25125 559 1 . 1 1 101 101 TYR C C 101 173.159 173.159 174.481 -1.322 25125 560 1 . 1 1 101 101 TYR CA C 101 55.987 55.987 56.493 -0.506 25125 561 1 . 1 1 101 101 TYR CB C 101 41.898 41.898 39.004 2.894 25125 562 1 . 1 1 101 101 TYR H H 101 9.546 9.546 7.397 2.149 25125 563 1 . 1 1 102 102 LEU N N 102 124.100 124.100 120.308 3.792 25125 564 1 . 1 1 102 102 LEU HA H 102 4.720 4.720 5.078 -0.358 25125 565 1 . 1 1 102 102 LEU CA C 102 50.499 50.499 51.454 -0.955 25125 566 1 . 1 1 102 102 LEU CB C 102 45.061 45.061 45.360 -0.299 25125 567 1 . 1 1 102 102 LEU H H 102 8.901 8.901 8.708 0.193 25125 568 1 . 1 1 103 103 PRO HA H 103 4.893 4.893 4.591 0.302 25125 569 1 . 1 1 103 103 PRO C C 103 175.524 175.524 175.623 -0.099 25125 570 1 . 1 1 103 103 PRO CA C 103 61.885 61.885 62.500 -0.615 25125 571 1 . 1 1 103 103 PRO CB C 103 31.807 31.807 32.461 -0.654 25125 572 1 . 1 1 104 104 LYS N N 104 118.848 118.848 121.113 -2.265 25125 573 1 . 1 1 104 104 LYS HA H 104 4.513 4.513 4.901 -0.388 25125 574 1 . 1 1 104 104 LYS CA C 104 53.218 53.218 53.356 -0.138 25125 575 1 . 1 1 104 104 LYS CB C 104 34.744 34.744 33.081 1.663 25125 576 1 . 1 1 104 104 LYS H H 104 8.279 8.279 8.153 0.126 25125 577 1 . 1 1 105 105 PRO HA H 105 4.299 4.299 4.399 -0.100 25125 578 1 . 1 1 105 105 PRO C C 105 175.001 175.001 175.560 -0.559 25125 579 1 . 1 1 105 105 PRO CA C 105 62.394 62.394 62.701 -0.307 25125 580 1 . 1 1 105 105 PRO CB C 105 34.095 34.095 32.119 1.976 25125 581 1 . 1 1 106 106 PHE N N 106 116.607 116.607 114.920 1.687 25125 582 1 . 1 1 106 106 PHE HA H 106 5.170 5.170 4.753 0.417 25125 583 1 . 1 1 106 106 PHE C C 106 175.221 175.221 174.198 1.023 25125 584 1 . 1 1 106 106 PHE CA C 106 53.435 53.435 55.885 -2.450 25125 585 1 . 1 1 106 106 PHE CB C 106 40.400 40.400 40.334 0.066 25125 586 1 . 1 1 106 106 PHE H H 106 7.457 7.457 7.491 -0.034 25125 587 1 . 1 1 107 107 ASP N N 107 122.214 122.214 122.510 -0.296 25125 588 1 . 1 1 107 107 ASP HA H 107 4.832 4.832 5.017 -0.185 25125 589 1 . 1 1 107 107 ASP C C 107 177.778 177.778 177.095 0.683 25125 590 1 . 1 1 107 107 ASP CA C 107 53.242 53.242 53.705 -0.463 25125 591 1 . 1 1 107 107 ASP CB C 107 42.597 42.597 41.314 1.283 25125 592 1 . 1 1 107 107 ASP H H 107 9.022 9.022 8.667 0.355 25125 593 1 . 1 1 108 108 ILE N N 108 127.706 127.706 125.215 2.491 25125 594 1 . 1 1 108 108 ILE HA H 108 3.965 3.965 3.749 0.216 25125 595 1 . 1 1 108 108 ILE C C 108 176.046 176.046 177.272 -1.226 25125 596 1 . 1 1 108 108 ILE CA C 108 62.989 62.989 64.925 -1.936 25125 597 1 . 1 1 108 108 ILE CB C 108 37.754 37.754 38.072 -0.318 25125 598 1 . 1 1 108 108 ILE H H 108 8.860 8.860 8.774 0.086 25125 599 1 . 1 1 109 109 ASP N N 109 120.058 120.058 119.033 1.025 25125 600 1 . 1 1 109 109 ASP HA H 109 4.388 4.388 4.362 0.026 25125 601 1 . 1 1 109 109 ASP C C 109 179.786 179.786 178.910 0.876 25125 602 1 . 1 1 109 109 ASP CA C 109 57.494 57.494 57.683 -0.189 25125 603 1 . 1 1 109 109 ASP CB C 109 40.054 40.054 40.239 -0.185 25125 604 1 . 1 1 109 109 ASP H H 109 8.079 8.079 8.630 -0.551 25125 605 1 . 1 1 110 110 GLU N N 110 121.559 121.559 119.449 2.110 25125 606 1 . 1 1 110 110 GLU HA H 110 4.068 4.068 4.215 -0.147 25125 607 1 . 1 1 110 110 GLU C C 110 179.043 179.043 178.456 0.587 25125 608 1 . 1 1 110 110 GLU CA C 110 58.826 58.826 58.388 0.438 25125 609 1 . 1 1 110 110 GLU CB C 110 29.343 29.343 29.908 -0.565 25125 610 1 . 1 1 110 110 GLU H H 110 8.012 8.012 8.039 -0.027 25125 611 1 . 1 1 111 111 ALA N N 111 122.267 122.267 123.474 -1.207 25125 612 1 . 1 1 111 111 ALA HA H 111 3.754 3.754 3.995 -0.241 25125 613 1 . 1 1 111 111 ALA C C 111 178.493 178.493 179.495 -1.002 25125 614 1 . 1 1 111 111 ALA CA C 111 55.172 55.172 55.245 -0.073 25125 615 1 . 1 1 111 111 ALA CB C 111 18.382 18.382 18.239 0.143 25125 616 1 . 1 1 111 111 ALA H H 111 7.897 7.897 8.107 -0.210 25125 617 1 . 1 1 112 112 VAL N N 112 116.527 116.527 117.937 -1.410 25125 618 1 . 1 1 112 112 VAL HA H 112 3.167 3.167 3.557 -0.390 25125 619 1 . 1 1 112 112 VAL C C 112 177.201 177.201 177.853 -0.652 25125 620 1 . 1 1 112 112 VAL CA C 112 67.145 67.145 66.614 0.531 25125 621 1 . 1 1 112 112 VAL CB C 112 31.552 31.552 31.405 0.147 25125 622 1 . 1 1 112 112 VAL H H 112 8.018 8.018 8.395 -0.377 25125 623 1 . 1 1 113 113 ALA N N 113 119.895 119.895 120.870 -0.975 25125 624 1 . 1 1 113 113 ALA HA H 113 4.138 4.138 4.249 -0.111 25125 625 1 . 1 1 113 113 ALA CA C 113 54.832 54.832 54.259 0.573 25125 626 1 . 1 1 113 113 ALA CB C 113 17.872 17.872 18.662 -0.790 25125 627 1 . 1 1 113 113 ALA H H 113 7.673 7.673 7.442 0.231 25125 628 1 . 1 1 114 114 LEU N N 114 120.650 120.650 120.569 0.081 25125 629 1 . 1 1 114 114 LEU HA H 114 4.083 4.083 4.131 -0.048 25125 630 1 . 1 1 114 114 LEU C C 114 178.466 178.466 178.432 0.034 25125 631 1 . 1 1 114 114 LEU CA C 114 58.020 58.020 57.675 0.345 25125 632 1 . 1 1 114 114 LEU CB C 114 41.833 41.833 42.063 -0.230 25125 633 1 . 1 1 114 114 LEU H H 114 7.840 7.840 7.677 0.163 25125 634 1 . 1 1 115 115 VAL N N 115 119.480 119.480 118.252 1.228 25125 635 1 . 1 1 115 115 VAL HA H 115 3.212 3.212 3.495 -0.283 25125 636 1 . 1 1 115 115 VAL C C 115 177.448 177.448 177.053 0.395 25125 637 1 . 1 1 115 115 VAL CA C 115 67.201 67.201 65.754 1.447 25125 638 1 . 1 1 115 115 VAL CB C 115 30.672 30.672 31.753 -1.081 25125 639 1 . 1 1 115 115 VAL H H 115 7.824 7.824 7.966 -0.142 25125 640 1 . 1 1 116 116 GLU N N 116 117.473 117.473 119.175 -1.702 25125 641 1 . 1 1 116 116 GLU HA H 116 3.789 3.789 3.913 -0.124 25125 642 1 . 1 1 116 116 GLU C C 116 179.566 179.566 178.644 0.922 25125 643 1 . 1 1 116 116 GLU CA C 116 59.930 59.930 59.669 0.261 25125 644 1 . 1 1 116 116 GLU CB C 116 29.096 29.096 29.280 -0.184 25125 645 1 . 1 1 116 116 GLU H H 116 8.465 8.465 7.678 0.787 25125 646 1 . 1 1 117 117 ARG N N 117 120.128 120.128 118.674 1.454 25125 647 1 . 1 1 117 117 ARG HA H 117 4.064 4.064 4.084 -0.020 25125 648 1 . 1 1 117 117 ARG C C 117 178.438 178.438 177.657 0.781 25125 649 1 . 1 1 117 117 ARG CA C 117 59.278 59.278 58.767 0.511 25125 650 1 . 1 1 117 117 ARG CB C 117 30.277 30.277 29.919 0.358 25125 651 1 . 1 1 117 117 ARG H H 117 8.012 8.012 7.562 0.450 25125 652 1 . 1 1 118 118 ALA N N 118 122.270 122.270 120.878 1.392 25125 653 1 . 1 1 118 118 ALA HA H 118 3.456 3.456 3.895 -0.439 25125 654 1 . 1 1 118 118 ALA C C 118 178.741 178.741 178.706 0.035 25125 655 1 . 1 1 118 118 ALA CA C 118 54.578 54.578 54.003 0.575 25125 656 1 . 1 1 118 118 ALA CB C 118 18.158 18.158 18.694 -0.536 25125 657 1 . 1 1 118 118 ALA H H 118 7.958 7.958 7.293 0.665 25125 658 1 . 1 1 119 119 ILE N N 119 115.269 115.269 117.465 -2.196 25125 659 1 . 1 1 119 119 ILE HA H 119 3.728 3.728 3.945 -0.217 25125 660 1 . 1 1 119 119 ILE C C 119 177.366 177.366 178.161 -0.795 25125 661 1 . 1 1 119 119 ILE CA C 119 63.669 63.669 64.368 -0.699 25125 662 1 . 1 1 119 119 ILE CB C 119 37.798 37.798 38.409 -0.611 25125 663 1 . 1 1 119 119 ILE H H 119 7.753 7.753 7.632 0.121 25125 664 1 . 1 1 120 120 SER N N 120 115.135 115.135 115.040 0.095 25125 665 1 . 1 1 120 120 SER HA H 120 4.275 4.275 4.158 0.117 25125 666 1 . 1 1 120 120 SER C C 120 175.084 175.084 175.615 -0.531 25125 667 1 . 1 1 120 120 SER CA C 120 59.816 59.816 60.989 -1.173 25125 668 1 . 1 1 120 120 SER CB C 120 63.380 63.380 62.911 0.469 25125 669 1 . 1 1 120 120 SER H H 120 7.816 7.816 8.258 -0.442 25125 670 1 . 1 1 121 121 HIS N N 121 119.908 119.908 119.738 0.170 25125 671 1 . 1 1 121 121 HIS HA H 121 4.422 4.422 4.194 0.228 25125 672 1 . 1 1 121 121 HIS C C 121 175.029 175.029 176.313 -1.284 25125 673 1 . 1 1 121 121 HIS CA C 121 57.236 57.236 58.792 -1.556 25125 674 1 . 1 1 121 121 HIS CB C 121 29.428 29.428 29.743 -0.315 25125 675 1 . 1 1 121 121 HIS H H 121 7.910 7.910 7.676 0.234 25125 676 1 . 1 1 122 122 TYR N N 122 118.880 118.880 117.121 1.759 25125 677 1 . 1 1 122 122 TYR HA H 122 4.426 4.426 4.540 -0.114 25125 678 1 . 1 1 122 122 TYR C C 122 175.276 175.276 176.745 -1.469 25125 679 1 . 1 1 122 122 TYR CA C 122 58.449 58.449 59.173 -0.724 25125 680 1 . 1 1 122 122 TYR CB C 122 38.604 38.604 38.580 0.024 25125 681 1 . 1 1 122 122 TYR H H 122 7.766 7.766 7.716 0.050 25125 682 1 . 1 1 123 123 GLN N N 123 121.479 121.479 118.127 3.352 25125 683 1 . 1 1 123 123 GLN HA H 123 4.270 4.270 4.323 -0.053 25125 684 1 . 1 1 123 123 GLN C C 123 174.534 174.534 175.641 -1.107 25125 685 1 . 1 1 123 123 GLN CA C 123 55.512 55.512 55.991 -0.479 25125 686 1 . 1 1 123 123 GLN CB C 123 29.768 29.768 29.162 0.606 25125 687 1 . 1 1 123 123 GLN H H 123 7.878 7.878 7.925 -0.047 25125 stop_ save_