data_26649 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26649 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 26649 _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 SER N N 2 116.344 116.344 117.654 -1.310 26649 2 1 1 . 1 1 2 2 SER HA H 2 4.543 4.543 4.812 -0.269 26649 3 1 1 . 1 1 2 2 SER C C 2 174.500 174.500 173.363 1.137 26649 4 1 1 . 1 1 2 2 SER CA C 2 61.592 61.592 58.075 3.517 26649 5 1 1 . 1 1 2 2 SER CB C 2 68.657 68.657 64.029 4.628 26649 6 1 1 . 1 1 2 2 SER H H 2 8.756 8.756 8.906 -0.150 26649 7 1 1 . 1 1 3 3 LYS N N 3 123.531 123.531 120.388 3.143 26649 8 1 1 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.391 -0.066 26649 9 1 1 . 1 1 3 3 LYS C C 3 176.570 176.570 174.832 1.738 26649 10 1 1 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.399 3.419 26649 11 1 1 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.321 4.172 26649 12 1 1 . 1 1 3 3 LYS H H 3 8.582 8.582 8.394 0.188 26649 13 1 1 . 1 1 4 4 GLU N N 4 121.085 121.085 122.138 -1.053 26649 14 1 1 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.165 0.177 26649 15 1 1 . 1 1 4 4 GLU C C 4 176.071 176.071 176.476 -0.405 26649 16 1 1 . 1 1 4 4 GLU CA C 4 59.923 59.923 57.580 2.344 26649 17 1 1 . 1 1 4 4 GLU CB C 4 34.420 34.420 29.059 5.361 26649 18 1 1 . 1 1 4 4 GLU H H 4 8.488 8.488 8.177 0.311 26649 19 1 1 . 1 1 5 5 ASP N N 5 120.965 120.965 124.227 -3.262 26649 20 1 1 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.791 -0.137 26649 21 1 1 . 1 1 5 5 ASP C C 5 175.760 175.760 175.137 0.623 26649 22 1 1 . 1 1 5 5 ASP CA C 5 57.262 57.262 52.903 4.359 26649 23 1 1 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.837 3.768 26649 24 1 1 . 1 1 5 5 ASP H H 5 8.235 8.235 8.112 0.123 26649 25 1 1 . 1 1 6 6 SER N N 6 114.678 114.678 115.132 -0.454 26649 26 1 1 . 1 1 6 6 SER HA H 6 4.783 4.783 4.617 0.166 26649 27 1 1 . 1 1 6 6 SER C C 6 173.417 173.417 173.781 -0.364 26649 28 1 1 . 1 1 6 6 SER CA C 6 62.802 62.802 57.603 5.199 26649 29 1 1 . 1 1 6 6 SER CB C 6 69.115 69.115 64.498 4.617 26649 30 1 1 . 1 1 6 6 SER H H 6 8.018 8.018 8.321 -0.303 26649 31 1 1 . 1 1 7 7 PHE N N 7 119.686 119.686 120.305 -0.619 26649 32 1 1 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.897 -0.036 26649 33 1 1 . 1 1 7 7 PHE C C 7 173.245 173.245 172.979 0.266 26649 34 1 1 . 1 1 7 7 PHE CA C 7 58.422 58.422 56.359 2.063 26649 35 1 1 . 1 1 7 7 PHE CB C 7 44.730 44.730 40.552 4.178 26649 36 1 1 . 1 1 7 7 PHE H H 7 8.612 8.612 7.829 0.783 26649 37 1 1 . 1 1 8 8 GLU N N 8 119.627 119.627 120.174 -0.547 26649 38 1 1 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.040 0.355 26649 39 1 1 . 1 1 8 8 GLU C C 8 176.059 176.059 175.804 0.255 26649 40 1 1 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.783 0.569 26649 41 1 1 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.166 6.243 26649 42 1 1 . 1 1 8 8 GLU H H 8 8.362 8.362 8.553 -0.191 26649 43 1 1 . 1 1 9 9 MET N N 9 121.547 121.547 121.193 0.354 26649 44 1 1 . 1 1 9 9 MET HA H 9 4.796 4.796 4.710 0.086 26649 45 1 1 . 1 1 9 9 MET C C 9 174.247 174.247 174.146 0.101 26649 46 1 1 . 1 1 9 9 MET CA C 9 57.733 57.733 55.115 2.618 26649 47 1 1 . 1 1 9 9 MET CB C 9 42.776 42.776 36.783 5.993 26649 48 1 1 . 1 1 9 9 MET H H 9 8.895 8.895 8.993 -0.098 26649 49 1 1 . 1 1 10 10 GLU N N 10 122.112 122.112 124.397 -2.285 26649 50 1 1 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.119 -0.131 26649 51 1 1 . 1 1 10 10 GLU C C 10 176.016 176.016 176.542 -0.526 26649 52 1 1 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.542 0.143 26649 53 1 1 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.652 5.140 26649 54 1 1 . 1 1 10 10 GLU H H 10 8.820 8.820 8.677 0.143 26649 55 1 1 . 1 1 11 11 GLY N N 11 106.766 106.766 110.320 -3.554 26649 56 1 1 . 1 1 11 11 GLY C C 11 171.420 171.420 172.647 -1.227 26649 57 1 1 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.253 2.855 26649 58 1 1 . 1 1 11 11 GLY H H 11 8.771 8.771 8.929 -0.158 26649 59 1 1 . 1 1 12 12 THR N N 12 116.018 116.018 114.906 1.112 26649 60 1 1 . 1 1 12 12 THR HA H 12 5.118 5.118 5.134 -0.016 26649 61 1 1 . 1 1 12 12 THR C C 12 174.240 174.240 173.556 0.684 26649 62 1 1 . 1 1 12 12 THR CA C 12 64.101 64.101 60.552 3.549 26649 63 1 1 . 1 1 12 12 THR CB C 12 74.309 74.309 72.286 2.023 26649 64 1 1 . 1 1 12 12 THR H H 12 8.434 8.434 8.135 0.299 26649 65 1 1 . 1 1 13 13 VAL N N 13 127.555 127.555 125.166 2.389 26649 66 1 1 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.419 -0.400 26649 67 1 1 . 1 1 13 13 VAL C C 13 176.464 176.464 174.495 1.969 26649 68 1 1 . 1 1 13 13 VAL CA C 13 67.667 67.667 62.367 5.300 26649 69 1 1 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.877 4.124 26649 70 1 1 . 1 1 13 13 VAL H H 13 9.177 9.177 8.282 0.895 26649 71 1 1 . 1 1 14 14 VAL N N 14 124.300 124.300 125.076 -0.776 26649 72 1 1 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.767 -0.108 26649 73 1 1 . 1 1 14 14 VAL C C 14 175.424 175.424 174.663 0.761 26649 74 1 1 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.137 2.880 26649 75 1 1 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.512 5.257 26649 76 1 1 . 1 1 14 14 VAL H H 14 9.240 9.240 8.059 1.181 26649 77 1 1 . 1 1 15 15 ASP N N 15 117.873 117.873 122.650 -4.777 26649 78 1 1 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.668 0.332 26649 79 1 1 . 1 1 15 15 ASP C C 15 175.239 175.239 174.432 0.807 26649 80 1 1 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.578 1.907 26649 81 1 1 . 1 1 15 15 ASP CB C 15 47.198 47.198 43.184 4.014 26649 82 1 1 . 1 1 15 15 ASP H H 15 7.912 7.912 8.077 -0.165 26649 83 1 1 . 1 1 16 16 THR N N 16 115.850 115.850 118.199 -2.349 26649 84 1 1 . 1 1 16 16 THR HA H 16 4.415 4.415 4.647 -0.232 26649 85 1 1 . 1 1 16 16 THR C C 16 172.752 172.752 173.626 -0.874 26649 86 1 1 . 1 1 16 16 THR CA C 16 64.002 64.002 60.988 3.014 26649 87 1 1 . 1 1 16 16 THR CB C 16 73.042 73.042 68.889 4.153 26649 88 1 1 . 1 1 16 16 THR H H 16 8.666 8.666 8.415 0.251 26649 89 1 1 . 1 1 17 17 LEU N N 17 124.937 124.937 128.456 -3.519 26649 90 1 1 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.713 -0.016 26649 91 1 1 . 1 1 17 17 LEU CA C 17 53.254 53.254 52.112 1.142 26649 92 1 1 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.126 1.376 26649 93 1 1 . 1 1 17 17 LEU H H 17 7.894 7.894 7.812 0.082 26649 94 1 1 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.564 -0.192 26649 95 1 1 . 1 1 18 18 PRO C C 18 175.846 175.846 176.515 -0.669 26649 96 1 1 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.398 2.829 26649 97 1 1 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.403 4.550 26649 98 1 1 . 1 1 19 19 ASN N N 19 114.919 114.919 117.333 -2.414 26649 99 1 1 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.453 -0.108 26649 100 1 1 . 1 1 19 19 ASN C C 19 175.137 175.137 173.864 1.273 26649 101 1 1 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.574 3.207 26649 102 1 1 . 1 1 19 19 ASN CB C 19 41.332 41.332 38.044 3.288 26649 103 1 1 . 1 1 19 19 ASN H H 19 8.714 8.714 8.674 0.040 26649 104 1 1 . 1 1 20 20 THR N N 20 110.616 110.616 107.868 2.748 26649 105 1 1 . 1 1 20 20 THR HA H 20 3.881 3.881 3.749 0.132 26649 106 1 1 . 1 1 20 20 THR C C 20 172.384 172.384 172.872 -0.488 26649 107 1 1 . 1 1 20 20 THR CA C 20 65.985 65.985 63.589 2.396 26649 108 1 1 . 1 1 20 20 THR CB C 20 70.012 70.012 66.947 3.065 26649 109 1 1 . 1 1 20 20 THR H H 20 8.579 8.579 8.269 0.310 26649 110 1 1 . 1 1 21 21 MET N N 21 115.910 115.910 116.409 -0.499 26649 111 1 1 . 1 1 21 21 MET HA H 21 5.074 5.074 4.798 0.276 26649 112 1 1 . 1 1 21 21 MET C C 21 175.080 175.080 173.552 1.528 26649 113 1 1 . 1 1 21 21 MET CA C 21 54.347 54.347 54.519 -0.172 26649 114 1 1 . 1 1 21 21 MET CB C 21 38.359 38.359 37.322 1.037 26649 115 1 1 . 1 1 21 21 MET H H 21 6.314 6.314 6.940 -0.626 26649 116 1 1 . 1 1 22 22 PHE N N 22 115.989 115.989 116.039 -0.050 26649 117 1 1 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.082 -0.085 26649 118 1 1 . 1 1 22 22 PHE C C 22 174.953 174.953 173.886 1.067 26649 119 1 1 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.269 2.222 26649 120 1 1 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.447 4.769 26649 121 1 1 . 1 1 22 22 PHE H H 22 8.744 8.744 9.062 -0.318 26649 122 1 1 . 1 1 23 23 ARG N N 23 122.523 122.523 121.636 0.887 26649 123 1 1 . 1 1 23 23 ARG HA H 23 5.236 5.236 4.852 0.384 26649 124 1 1 . 1 1 23 23 ARG C C 23 175.828 175.828 174.881 0.947 26649 125 1 1 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.559 0.510 26649 126 1 1 . 1 1 23 23 ARG CB C 23 35.838 35.838 31.968 3.870 26649 127 1 1 . 1 1 23 23 ARG H H 23 8.661 8.661 8.213 0.448 26649 128 1 1 . 1 1 24 24 VAL N N 24 126.448 126.448 127.052 -0.604 26649 129 1 1 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.855 -0.171 26649 130 1 1 . 1 1 24 24 VAL C C 24 173.637 173.637 174.902 -1.265 26649 131 1 1 . 1 1 24 24 VAL CA C 24 62.771 62.771 61.159 1.612 26649 132 1 1 . 1 1 24 24 VAL CB C 24 39.529 39.529 33.946 5.583 26649 133 1 1 . 1 1 24 24 VAL H H 24 9.342 9.342 9.259 0.083 26649 134 1 1 . 1 1 25 25 GLU N N 25 128.611 128.611 127.799 0.812 26649 135 1 1 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.647 0.066 26649 136 1 1 . 1 1 25 25 GLU C C 25 176.160 176.160 175.657 0.503 26649 137 1 1 . 1 1 25 25 GLU CA C 25 56.381 56.381 56.057 0.324 26649 138 1 1 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.096 4.075 26649 139 1 1 . 1 1 25 25 GLU H H 25 9.125 9.125 9.010 0.115 26649 140 1 1 . 1 1 26 26 LEU N N 26 129.185 129.185 124.818 4.367 26649 141 1 1 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.745 0.084 26649 142 1 1 . 1 1 26 26 LEU C C 26 179.291 179.291 177.018 2.273 26649 143 1 1 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.751 3.387 26649 144 1 1 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.251 5.043 26649 145 1 1 . 1 1 26 26 LEU H H 26 9.305 9.305 8.725 0.580 26649 146 1 1 . 1 1 27 27 GLU N N 27 119.943 119.943 121.728 -1.785 26649 147 1 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.950 0.188 26649 148 1 1 . 1 1 27 27 GLU C C 27 175.981 175.981 177.089 -1.108 26649 149 1 1 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.830 1.515 26649 150 1 1 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.233 4.789 26649 151 1 1 . 1 1 27 27 GLU H H 27 8.624 8.624 8.625 -0.001 26649 152 1 1 . 1 1 28 28 ASN N N 28 114.077 114.077 115.686 -1.609 26649 153 1 1 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.629 0.007 26649 154 1 1 . 1 1 28 28 ASN C C 28 176.489 176.489 175.088 1.401 26649 155 1 1 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.788 1.521 26649 156 1 1 . 1 1 28 28 ASN CB C 28 42.187 42.187 38.156 4.031 26649 157 1 1 . 1 1 28 28 ASN H H 28 7.268 7.268 8.125 -0.857 26649 158 1 1 . 1 1 29 29 GLY N N 29 108.202 108.202 104.332 3.870 26649 159 1 1 . 1 1 29 29 GLY C C 29 174.446 174.446 174.177 0.269 26649 160 1 1 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.932 2.390 26649 161 1 1 . 1 1 29 29 GLY H H 29 8.367 8.367 7.801 0.566 26649 162 1 1 . 1 1 30 30 HIS N N 30 119.105 119.105 119.886 -0.781 26649 163 1 1 . 1 1 30 30 HIS HA H 30 4.715 4.715 4.995 -0.280 26649 164 1 1 . 1 1 30 30 HIS C C 30 173.468 173.468 173.285 0.183 26649 165 1 1 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.276 2.777 26649 166 1 1 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.550 0.159 26649 167 1 1 . 1 1 30 30 HIS H H 30 7.954 7.954 8.714 -0.760 26649 168 1 1 . 1 1 31 31 VAL N N 31 124.046 124.046 121.086 2.960 26649 169 1 1 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.470 0.581 26649 170 1 1 . 1 1 31 31 VAL C C 31 176.209 176.209 173.733 2.476 26649 171 1 1 . 1 1 31 31 VAL CA C 31 62.570 62.570 61.009 1.561 26649 172 1 1 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.629 0.425 26649 173 1 1 . 1 1 31 31 VAL H H 31 8.601 8.601 8.400 0.201 26649 174 1 1 . 1 1 32 32 VAL N N 32 120.179 120.179 124.756 -4.577 26649 175 1 1 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.575 0.211 26649 176 1 1 . 1 1 32 32 VAL C C 32 175.124 175.124 174.468 0.656 26649 177 1 1 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.345 -0.482 26649 178 1 1 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.231 3.598 26649 179 1 1 . 1 1 32 32 VAL H H 32 8.966 8.966 9.233 -0.267 26649 180 1 1 . 1 1 33 33 THR N N 33 118.645 118.645 118.841 -0.196 26649 181 1 1 . 1 1 33 33 THR HA H 33 5.061 5.061 5.181 -0.120 26649 182 1 1 . 1 1 33 33 THR C C 33 174.171 174.171 173.192 0.979 26649 183 1 1 . 1 1 33 33 THR CA C 33 65.278 65.278 61.781 3.497 26649 184 1 1 . 1 1 33 33 THR CB C 33 72.059 72.059 69.633 2.426 26649 185 1 1 . 1 1 33 33 THR H H 33 8.235 8.235 8.177 0.058 26649 186 1 1 . 1 1 34 34 ALA N N 34 129.128 129.128 129.497 -0.369 26649 187 1 1 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.499 0.073 26649 188 1 1 . 1 1 34 34 ALA C C 34 175.686 175.686 174.976 0.710 26649 189 1 1 . 1 1 34 34 ALA CA C 34 53.056 53.056 48.876 4.180 26649 190 1 1 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.598 2.436 26649 191 1 1 . 1 1 34 34 ALA H H 34 9.777 9.777 8.654 1.123 26649 192 1 1 . 1 1 35 35 HIS N N 35 116.059 116.059 116.250 -0.191 26649 193 1 1 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.122 0.389 26649 194 1 1 . 1 1 35 35 HIS C C 35 174.302 174.302 173.315 0.987 26649 195 1 1 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.728 2.323 26649 196 1 1 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.944 2.742 26649 197 1 1 . 1 1 35 35 HIS H H 35 7.712 7.712 8.499 -0.787 26649 198 1 1 . 1 1 36 36 ILE N N 36 119.551 119.551 124.060 -4.509 26649 199 1 1 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.194 0.315 26649 200 1 1 . 1 1 36 36 ILE C C 36 175.686 175.686 174.620 1.066 26649 201 1 1 . 1 1 36 36 ILE CA C 36 62.671 62.671 59.542 3.129 26649 202 1 1 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.764 0.411 26649 203 1 1 . 1 1 36 36 ILE H H 36 9.509 9.509 8.623 0.886 26649 204 1 1 . 1 1 37 37 SER N N 37 120.084 120.084 120.217 -0.133 26649 205 1 1 . 1 1 37 37 SER HA H 37 4.543 4.543 4.253 0.290 26649 206 1 1 . 1 1 37 37 SER C C 37 175.073 175.073 175.939 -0.866 26649 207 1 1 . 1 1 37 37 SER CA C 37 61.428 61.428 59.571 1.857 26649 208 1 1 . 1 1 37 37 SER CB C 37 69.228 69.228 64.100 5.128 26649 209 1 1 . 1 1 37 37 SER H H 37 8.427 8.427 8.515 -0.088 26649 210 1 1 . 1 1 38 38 GLY N N 38 112.268 112.268 111.043 1.225 26649 211 1 1 . 1 1 38 38 GLY C C 38 176.124 176.124 175.805 0.319 26649 212 1 1 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.846 2.448 26649 213 1 1 . 1 1 38 38 GLY H H 38 9.059 9.059 8.863 0.196 26649 214 1 1 . 1 1 39 39 LYS N N 39 121.027 121.027 121.168 -0.141 26649 215 1 1 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.035 0.076 26649 216 1 1 . 1 1 39 39 LYS C C 39 178.155 178.155 179.114 -0.959 26649 217 1 1 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.598 1.955 26649 218 1 1 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.245 4.977 26649 219 1 1 . 1 1 39 39 LYS H H 39 8.346 8.346 8.387 -0.041 26649 220 1 1 . 1 1 40 40 MET N N 40 118.288 118.288 116.993 1.295 26649 221 1 1 . 1 1 40 40 MET HA H 40 4.281 4.281 4.332 -0.051 26649 222 1 1 . 1 1 40 40 MET C C 40 177.179 177.179 178.295 -1.116 26649 223 1 1 . 1 1 40 40 MET CA C 40 58.000 58.000 57.779 0.221 26649 224 1 1 . 1 1 40 40 MET CB C 40 36.025 36.025 31.701 4.324 26649 225 1 1 . 1 1 40 40 MET H H 40 7.741 7.741 8.014 -0.273 26649 226 1 1 . 1 1 41 41 ARG N N 41 119.988 119.988 119.800 0.188 26649 227 1 1 . 1 1 41 41 ARG HA H 41 4.061 4.061 3.987 0.074 26649 228 1 1 . 1 1 41 41 ARG C C 41 177.749 177.749 179.547 -1.798 26649 229 1 1 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.447 0.089 26649 230 1 1 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.225 1.871 26649 231 1 1 . 1 1 41 41 ARG H H 41 7.948 7.948 7.612 0.336 26649 232 1 1 . 1 1 42 42 LYS N N 42 119.136 119.136 117.551 1.585 26649 233 1 1 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.239 -0.161 26649 234 1 1 . 1 1 42 42 LYS C C 42 176.430 176.430 177.709 -1.279 26649 235 1 1 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.612 -0.094 26649 236 1 1 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.445 4.644 26649 237 1 1 . 1 1 42 42 LYS H H 42 7.895 7.895 8.222 -0.327 26649 238 1 1 . 1 1 43 43 ASN N N 43 116.823 116.823 115.956 0.867 26649 239 1 1 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.548 0.118 26649 240 1 1 . 1 1 43 43 ASN C C 43 174.310 174.310 173.714 0.596 26649 241 1 1 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.300 1.642 26649 242 1 1 . 1 1 43 43 ASN CB C 43 43.371 43.371 39.538 3.833 26649 243 1 1 . 1 1 43 43 ASN H H 43 7.840 7.840 7.679 0.161 26649 244 1 1 . 1 1 44 44 TYR N N 44 118.475 118.475 116.780 1.695 26649 245 1 1 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.562 -0.205 26649 246 1 1 . 1 1 44 44 TYR C C 44 175.072 175.072 174.208 0.864 26649 247 1 1 . 1 1 44 44 TYR CA C 44 59.757 59.757 56.889 2.868 26649 248 1 1 . 1 1 44 44 TYR CB C 44 42.222 42.222 42.081 0.141 26649 249 1 1 . 1 1 44 44 TYR H H 44 7.701 7.701 7.608 0.093 26649 250 1 1 . 1 1 45 45 ILE N N 45 123.061 123.061 122.010 1.051 26649 251 1 1 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.193 -0.281 26649 252 1 1 . 1 1 45 45 ILE C C 45 174.790 174.790 176.268 -1.478 26649 253 1 1 . 1 1 45 45 ILE CA C 45 62.935 62.935 61.236 1.698 26649 254 1 1 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.398 2.321 26649 255 1 1 . 1 1 45 45 ILE H H 45 7.538 7.538 8.514 -0.976 26649 256 1 1 . 1 1 46 46 ARG N N 46 125.163 125.163 126.282 -1.119 26649 257 1 1 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.309 -0.121 26649 258 1 1 . 1 1 46 46 ARG C C 46 174.870 174.870 176.017 -1.147 26649 259 1 1 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.742 1.747 26649 260 1 1 . 1 1 46 46 ARG CB C 46 35.647 35.647 29.590 6.057 26649 261 1 1 . 1 1 46 46 ARG H H 46 8.105 8.105 8.339 -0.234 26649 262 1 1 . 1 1 47 47 ILE N N 47 126.439 126.439 123.832 2.607 26649 263 1 1 . 1 1 47 47 ILE HA H 47 3.974 3.974 3.901 0.073 26649 264 1 1 . 1 1 47 47 ILE C C 47 173.723 173.723 176.860 -3.137 26649 265 1 1 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.833 1.379 26649 266 1 1 . 1 1 47 47 ILE CB C 47 42.293 42.293 38.101 4.192 26649 267 1 1 . 1 1 47 47 ILE H H 47 8.072 8.072 8.355 -0.283 26649 268 1 1 . 1 1 48 48 LEU N N 48 127.845 127.845 124.332 3.513 26649 269 1 1 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.253 0.468 26649 270 1 1 . 1 1 48 48 LEU C C 48 177.100 177.100 177.415 -0.315 26649 271 1 1 . 1 1 48 48 LEU CA C 48 55.642 55.642 55.396 0.246 26649 272 1 1 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.121 5.887 26649 273 1 1 . 1 1 48 48 LEU H H 48 8.662 8.662 8.181 0.481 26649 274 1 1 . 1 1 49 49 THR N N 49 115.775 115.775 114.723 1.052 26649 275 1 1 . 1 1 49 49 THR HA H 49 3.611 3.611 4.028 -0.417 26649 276 1 1 . 1 1 49 49 THR C C 49 175.507 175.507 174.588 0.919 26649 277 1 1 . 1 1 49 49 THR CA C 49 67.651 67.651 63.432 4.219 26649 278 1 1 . 1 1 49 49 THR CB C 49 71.174 71.174 69.168 2.006 26649 279 1 1 . 1 1 49 49 THR H H 49 8.281 8.281 8.091 0.190 26649 280 1 1 . 1 1 50 50 GLY N N 50 116.246 116.246 115.385 0.861 26649 281 1 1 . 1 1 50 50 GLY C C 50 174.433 174.433 172.850 1.583 26649 282 1 1 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.821 2.058 26649 283 1 1 . 1 1 50 50 GLY H H 50 9.211 9.211 8.957 0.254 26649 284 1 1 . 1 1 51 51 ASP N N 51 121.695 121.695 122.281 -0.586 26649 285 1 1 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.682 -0.107 26649 286 1 1 . 1 1 51 51 ASP C C 51 175.571 175.571 175.484 0.087 26649 287 1 1 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.980 4.471 26649 288 1 1 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.920 2.549 26649 289 1 1 . 1 1 51 51 ASP H H 51 8.114 8.114 7.719 0.395 26649 290 1 1 . 1 1 52 52 LYS N N 52 121.380 121.380 125.756 -4.376 26649 291 1 1 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.613 0.481 26649 292 1 1 . 1 1 52 52 LYS C C 52 176.630 176.630 176.018 0.612 26649 293 1 1 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.876 0.216 26649 294 1 1 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.339 4.568 26649 295 1 1 . 1 1 52 52 LYS H H 52 8.504 8.504 8.078 0.426 26649 296 1 1 . 1 1 53 53 VAL N N 53 115.067 115.067 118.499 -3.432 26649 297 1 1 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.293 -0.110 26649 298 1 1 . 1 1 53 53 VAL C C 53 174.865 174.865 174.331 0.534 26649 299 1 1 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.441 0.601 26649 300 1 1 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.889 2.634 26649 301 1 1 . 1 1 53 53 VAL H H 53 8.730 8.730 8.871 -0.141 26649 302 1 1 . 1 1 54 54 ARG N N 54 118.772 118.772 120.553 -1.781 26649 303 1 1 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.649 0.245 26649 304 1 1 . 1 1 54 54 ARG C C 54 175.140 175.140 175.405 -0.265 26649 305 1 1 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.270 1.365 26649 306 1 1 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.405 6.138 26649 307 1 1 . 1 1 54 54 ARG H H 54 8.208 8.208 8.401 -0.193 26649 308 1 1 . 1 1 55 55 VAL N N 55 121.560 121.560 125.663 -4.103 26649 309 1 1 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.040 -0.298 26649 310 1 1 . 1 1 55 55 VAL C C 55 173.816 173.816 174.941 -1.125 26649 311 1 1 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.279 0.524 26649 312 1 1 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.470 3.251 26649 313 1 1 . 1 1 55 55 VAL H H 55 8.961 8.961 9.232 -0.271 26649 314 1 1 . 1 1 56 56 GLU N N 56 126.127 126.127 125.753 0.374 26649 315 1 1 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.108 -0.205 26649 316 1 1 . 1 1 56 56 GLU C C 56 176.010 176.010 175.654 0.356 26649 317 1 1 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.468 1.299 26649 318 1 1 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.404 3.826 26649 319 1 1 . 1 1 56 56 GLU H H 56 9.296 9.296 8.431 0.865 26649 320 1 1 . 1 1 57 57 LEU N N 57 129.725 129.725 127.286 2.439 26649 321 1 1 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.815 -0.084 26649 322 1 1 . 1 1 57 57 LEU C C 57 175.520 175.520 176.336 -0.816 26649 323 1 1 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.728 2.459 26649 324 1 1 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.435 2.604 26649 325 1 1 . 1 1 57 57 LEU H H 57 9.057 9.057 7.993 1.064 26649 326 1 1 . 1 1 58 58 THR N N 58 114.373 114.373 110.457 3.916 26649 327 1 1 . 1 1 58 58 THR HA H 58 4.684 4.684 4.849 -0.165 26649 328 1 1 . 1 1 58 58 THR CA C 58 59.837 59.837 58.654 1.183 26649 329 1 1 . 1 1 58 58 THR CB C 58 71.774 71.774 70.125 1.649 26649 330 1 1 . 1 1 58 58 THR H H 58 8.645 8.645 7.782 0.863 26649 331 1 1 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.351 -0.235 26649 332 1 1 . 1 1 59 59 PRO C C 59 176.717 176.717 177.220 -0.503 26649 333 1 1 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.732 2.597 26649 334 1 1 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.614 4.782 26649 335 1 1 . 1 1 60 60 TYR N N 60 113.100 113.100 115.020 -1.920 26649 336 1 1 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.540 -0.107 26649 337 1 1 . 1 1 60 60 TYR C C 60 175.684 175.684 174.949 0.735 26649 338 1 1 . 1 1 60 60 TYR CA C 60 59.054 59.054 57.954 1.100 26649 339 1 1 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.187 4.158 26649 340 1 1 . 1 1 60 60 TYR H H 60 7.057 7.057 8.019 -0.962 26649 341 1 1 . 1 1 61 61 ASP N N 61 118.239 118.239 117.968 0.271 26649 342 1 1 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.509 0.198 26649 343 1 1 . 1 1 61 61 ASP C C 61 175.155 175.155 174.947 0.208 26649 344 1 1 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.249 2.987 26649 345 1 1 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.381 4.737 26649 346 1 1 . 1 1 61 61 ASP H H 61 7.349 7.349 7.219 0.130 26649 347 1 1 . 1 1 62 62 LEU N N 62 124.571 124.571 122.310 2.261 26649 348 1 1 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.051 0.349 26649 349 1 1 . 1 1 62 62 LEU C C 62 176.534 176.534 178.285 -1.751 26649 350 1 1 . 1 1 62 62 LEU CA C 62 57.064 57.064 56.738 0.326 26649 351 1 1 . 1 1 62 62 LEU CB C 62 45.466 45.466 42.166 3.300 26649 352 1 1 . 1 1 62 62 LEU H H 62 8.713 8.713 8.451 0.262 26649 353 1 1 . 1 1 63 63 SER N N 63 113.199 113.199 112.330 0.869 26649 354 1 1 . 1 1 63 63 SER HA H 63 4.672 4.672 4.147 0.525 26649 355 1 1 . 1 1 63 63 SER C C 63 174.199 174.199 173.954 0.245 26649 356 1 1 . 1 1 63 63 SER CA C 63 60.593 60.593 59.774 0.819 26649 357 1 1 . 1 1 63 63 SER CB C 63 69.233 69.233 62.692 6.541 26649 358 1 1 . 1 1 63 63 SER H H 63 8.515 8.515 8.272 0.243 26649 359 1 1 . 1 1 64 64 LYS N N 64 122.388 122.388 118.468 3.920 26649 360 1 1 . 1 1 64 64 LYS HA H 64 5.463 5.463 4.962 0.501 26649 361 1 1 . 1 1 64 64 LYS C C 64 174.870 174.870 174.880 -0.010 26649 362 1 1 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.059 0.528 26649 363 1 1 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.652 4.507 26649 364 1 1 . 1 1 64 64 LYS H H 64 7.646 7.646 7.290 0.356 26649 365 1 1 . 1 1 65 65 GLY N N 65 103.185 103.185 108.526 -5.341 26649 366 1 1 . 1 1 65 65 GLY C C 65 171.434 171.434 172.199 -0.765 26649 367 1 1 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.309 2.976 26649 368 1 1 . 1 1 65 65 GLY H H 65 7.803 7.803 8.043 -0.240 26649 369 1 1 . 1 1 66 66 ARG N N 66 118.652 118.652 117.230 1.422 26649 370 1 1 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.837 0.129 26649 371 1 1 . 1 1 66 66 ARG C C 66 175.315 175.315 174.538 0.777 26649 372 1 1 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.287 0.648 26649 373 1 1 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.860 3.160 26649 374 1 1 . 1 1 66 66 ARG H H 66 8.468 8.468 8.160 0.308 26649 375 1 1 . 1 1 67 67 ILE N N 67 125.685 125.685 119.912 5.773 26649 376 1 1 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.995 -0.472 26649 377 1 1 . 1 1 67 67 ILE C C 67 175.888 175.888 175.618 0.270 26649 378 1 1 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.406 4.572 26649 379 1 1 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.732 2.941 26649 380 1 1 . 1 1 67 67 ILE H H 67 9.078 9.078 7.894 1.184 26649 381 1 1 . 1 1 68 68 THR N N 68 117.575 117.575 121.596 -4.021 26649 382 1 1 . 1 1 68 68 THR HA H 68 4.485 4.485 4.430 0.055 26649 383 1 1 . 1 1 68 68 THR C C 68 174.989 174.989 172.381 2.608 26649 384 1 1 . 1 1 68 68 THR CA C 68 64.174 64.174 61.812 2.362 26649 385 1 1 . 1 1 68 68 THR CB C 68 72.920 72.920 69.709 3.211 26649 386 1 1 . 1 1 68 68 THR H H 68 8.649 8.649 8.452 0.197 26649 387 1 1 . 1 1 69 69 TYR N N 69 122.143 122.143 122.916 -0.773 26649 388 1 1 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.333 0.258 26649 389 1 1 . 1 1 69 69 TYR C C 69 172.880 172.880 172.546 0.334 26649 390 1 1 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.099 4.705 26649 391 1 1 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.836 5.574 26649 392 1 1 . 1 1 69 69 TYR H H 69 7.538 7.538 7.944 -0.406 26649 393 1 1 . 1 1 70 70 ARG N N 70 126.202 126.202 124.616 1.586 26649 394 1 1 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.368 -0.752 26649 395 1 1 . 1 1 70 70 ARG C C 70 173.644 173.644 173.814 -0.170 26649 396 1 1 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.272 3.599 26649 397 1 1 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.568 2.818 26649 398 1 1 . 1 1 70 70 ARG H H 70 7.716 7.716 7.802 -0.086 26649 399 1 1 . 1 1 71 71 ALA N N 71 128.442 128.442 123.516 4.926 26649 400 1 1 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.625 -0.529 26649 401 1 1 . 1 1 71 71 ALA C C 71 176.753 176.753 174.999 1.754 26649 402 1 1 . 1 1 71 71 ALA CA C 71 55.266 55.266 51.124 4.142 26649 403 1 1 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.692 -1.481 26649 404 1 1 . 1 1 71 71 ALA H H 71 8.456 8.456 8.946 -0.490 26649 405 1 2 . 1 1 2 2 SER N N 2 116.344 116.344 117.215 -0.871 26649 406 1 2 . 1 1 2 2 SER HA H 2 4.543 4.543 4.586 -0.043 26649 407 1 2 . 1 1 2 2 SER C C 2 174.500 174.500 174.933 -0.433 26649 408 1 2 . 1 1 2 2 SER CA C 2 61.592 61.592 58.242 3.350 26649 409 1 2 . 1 1 2 2 SER CB C 2 68.657 68.657 63.196 5.461 26649 410 1 2 . 1 1 2 2 SER H H 2 8.756 8.756 8.291 0.465 26649 411 1 2 . 1 1 3 3 LYS N N 3 123.531 123.531 120.938 2.593 26649 412 1 2 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.033 0.292 26649 413 1 2 . 1 1 3 3 LYS C C 3 176.570 176.570 174.483 2.087 26649 414 1 2 . 1 1 3 3 LYS CA C 3 59.818 59.818 57.306 2.512 26649 415 1 2 . 1 1 3 3 LYS CB C 3 37.493 37.493 31.646 5.847 26649 416 1 2 . 1 1 3 3 LYS H H 3 8.582 8.582 8.479 0.103 26649 417 1 2 . 1 1 4 4 GLU N N 4 121.085 121.085 120.450 0.635 26649 418 1 2 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.328 0.014 26649 419 1 2 . 1 1 4 4 GLU C C 4 176.071 176.071 174.608 1.463 26649 420 1 2 . 1 1 4 4 GLU CA C 4 59.923 59.923 55.481 4.442 26649 421 1 2 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.976 3.444 26649 422 1 2 . 1 1 4 4 GLU H H 4 8.488 8.488 7.851 0.637 26649 423 1 2 . 1 1 5 5 ASP N N 5 120.965 120.965 124.810 -3.845 26649 424 1 2 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.566 0.088 26649 425 1 2 . 1 1 5 5 ASP C C 5 175.760 175.760 175.577 0.183 26649 426 1 2 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.385 2.877 26649 427 1 2 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.240 4.365 26649 428 1 2 . 1 1 5 5 ASP H H 5 8.235 8.235 8.403 -0.168 26649 429 1 2 . 1 1 6 6 SER N N 6 114.678 114.678 114.990 -0.312 26649 430 1 2 . 1 1 6 6 SER HA H 6 4.783 4.783 4.826 -0.043 26649 431 1 2 . 1 1 6 6 SER C C 6 173.417 173.417 173.120 0.297 26649 432 1 2 . 1 1 6 6 SER CA C 6 62.802 62.802 57.051 5.751 26649 433 1 2 . 1 1 6 6 SER CB C 6 69.115 69.115 66.206 2.909 26649 434 1 2 . 1 1 6 6 SER H H 6 8.018 8.018 7.899 0.119 26649 435 1 2 . 1 1 7 7 PHE N N 7 119.686 119.686 120.561 -0.875 26649 436 1 2 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.855 0.006 26649 437 1 2 . 1 1 7 7 PHE C C 7 173.245 173.245 174.740 -1.495 26649 438 1 2 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.141 1.281 26649 439 1 2 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.267 2.463 26649 440 1 2 . 1 1 7 7 PHE H H 7 8.612 8.612 8.436 0.176 26649 441 1 2 . 1 1 8 8 GLU N N 8 119.627 119.627 123.828 -4.201 26649 442 1 2 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.930 0.465 26649 443 1 2 . 1 1 8 8 GLU C C 8 176.059 176.059 175.872 0.187 26649 444 1 2 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.473 0.879 26649 445 1 2 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.234 6.175 26649 446 1 2 . 1 1 8 8 GLU H H 8 8.362 8.362 8.720 -0.358 26649 447 1 2 . 1 1 9 9 MET N N 9 121.547 121.547 122.364 -0.817 26649 448 1 2 . 1 1 9 9 MET HA H 9 4.796 4.796 4.693 0.103 26649 449 1 2 . 1 1 9 9 MET C C 9 174.247 174.247 174.227 0.020 26649 450 1 2 . 1 1 9 9 MET CA C 9 57.733 57.733 55.368 2.365 26649 451 1 2 . 1 1 9 9 MET CB C 9 42.776 42.776 37.114 5.662 26649 452 1 2 . 1 1 9 9 MET H H 9 8.895 8.895 8.786 0.109 26649 453 1 2 . 1 1 10 10 GLU N N 10 122.112 122.112 124.272 -2.160 26649 454 1 2 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.184 -0.196 26649 455 1 2 . 1 1 10 10 GLU C C 10 176.016 176.016 176.445 -0.429 26649 456 1 2 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.179 0.506 26649 457 1 2 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.929 4.863 26649 458 1 2 . 1 1 10 10 GLU H H 10 8.820 8.820 8.672 0.148 26649 459 1 2 . 1 1 11 11 GLY N N 11 106.766 106.766 110.459 -3.693 26649 460 1 2 . 1 1 11 11 GLY C C 11 171.420 171.420 172.430 -1.010 26649 461 1 2 . 1 1 11 11 GLY CA C 11 48.108 48.108 44.957 3.151 26649 462 1 2 . 1 1 11 11 GLY H H 11 8.771 8.771 8.945 -0.174 26649 463 1 2 . 1 1 12 12 THR N N 12 116.018 116.018 117.092 -1.074 26649 464 1 2 . 1 1 12 12 THR HA H 12 5.118 5.118 4.907 0.211 26649 465 1 2 . 1 1 12 12 THR C C 12 174.240 174.240 174.034 0.206 26649 466 1 2 . 1 1 12 12 THR CA C 12 64.101 64.101 61.868 2.233 26649 467 1 2 . 1 1 12 12 THR CB C 12 74.309 74.309 70.961 3.348 26649 468 1 2 . 1 1 12 12 THR H H 12 8.434 8.434 8.137 0.297 26649 469 1 2 . 1 1 13 13 VAL N N 13 127.555 127.555 125.086 2.469 26649 470 1 2 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.609 -0.590 26649 471 1 2 . 1 1 13 13 VAL C C 13 176.464 176.464 174.457 2.007 26649 472 1 2 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.879 5.788 26649 473 1 2 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.460 3.541 26649 474 1 2 . 1 1 13 13 VAL H H 13 9.177 9.177 8.320 0.857 26649 475 1 2 . 1 1 14 14 VAL N N 14 124.300 124.300 125.042 -0.742 26649 476 1 2 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.421 0.238 26649 477 1 2 . 1 1 14 14 VAL C C 14 175.424 175.424 173.914 1.510 26649 478 1 2 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.730 2.287 26649 479 1 2 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.129 5.640 26649 480 1 2 . 1 1 14 14 VAL H H 14 9.240 9.240 8.073 1.167 26649 481 1 2 . 1 1 15 15 ASP N N 15 117.873 117.873 121.417 -3.544 26649 482 1 2 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.704 0.296 26649 483 1 2 . 1 1 15 15 ASP C C 15 175.239 175.239 174.566 0.673 26649 484 1 2 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.151 2.334 26649 485 1 2 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.410 2.788 26649 486 1 2 . 1 1 15 15 ASP H H 15 7.912 7.912 8.115 -0.203 26649 487 1 2 . 1 1 16 16 THR N N 16 115.850 115.850 116.657 -0.807 26649 488 1 2 . 1 1 16 16 THR HA H 16 4.415 4.415 4.560 -0.145 26649 489 1 2 . 1 1 16 16 THR C C 16 172.752 172.752 173.296 -0.544 26649 490 1 2 . 1 1 16 16 THR CA C 16 64.002 64.002 61.011 2.991 26649 491 1 2 . 1 1 16 16 THR CB C 16 73.042 73.042 69.812 3.230 26649 492 1 2 . 1 1 16 16 THR H H 16 8.666 8.666 8.352 0.314 26649 493 1 2 . 1 1 17 17 LEU N N 17 124.937 124.937 125.323 -0.386 26649 494 1 2 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.876 -0.179 26649 495 1 2 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.133 2.121 26649 496 1 2 . 1 1 17 17 LEU CB C 17 43.502 43.502 44.198 -0.696 26649 497 1 2 . 1 1 17 17 LEU H H 17 7.894 7.894 7.797 0.097 26649 498 1 2 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.647 -0.275 26649 499 1 2 . 1 1 18 18 PRO C C 18 175.846 175.846 176.538 -0.692 26649 500 1 2 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.562 2.665 26649 501 1 2 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.367 4.586 26649 502 1 2 . 1 1 19 19 ASN N N 19 114.919 114.919 117.726 -2.807 26649 503 1 2 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.452 -0.107 26649 504 1 2 . 1 1 19 19 ASN C C 19 175.137 175.137 174.099 1.038 26649 505 1 2 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.514 3.267 26649 506 1 2 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.802 3.530 26649 507 1 2 . 1 1 19 19 ASN H H 19 8.714 8.714 8.568 0.146 26649 508 1 2 . 1 1 20 20 THR N N 20 110.616 110.616 108.159 2.457 26649 509 1 2 . 1 1 20 20 THR HA H 20 3.881 3.881 3.736 0.145 26649 510 1 2 . 1 1 20 20 THR C C 20 172.384 172.384 172.798 -0.414 26649 511 1 2 . 1 1 20 20 THR CA C 20 65.985 65.985 63.646 2.339 26649 512 1 2 . 1 1 20 20 THR CB C 20 70.012 70.012 66.873 3.139 26649 513 1 2 . 1 1 20 20 THR H H 20 8.579 8.579 8.344 0.235 26649 514 1 2 . 1 1 21 21 MET N N 21 115.910 115.910 117.116 -1.206 26649 515 1 2 . 1 1 21 21 MET HA H 21 5.074 5.074 4.798 0.276 26649 516 1 2 . 1 1 21 21 MET C C 21 175.080 175.080 173.674 1.406 26649 517 1 2 . 1 1 21 21 MET CA C 21 54.347 54.347 54.709 -0.362 26649 518 1 2 . 1 1 21 21 MET CB C 21 38.359 38.359 37.468 0.891 26649 519 1 2 . 1 1 21 21 MET H H 21 6.314 6.314 7.022 -0.708 26649 520 1 2 . 1 1 22 22 PHE N N 22 115.989 115.989 115.319 0.670 26649 521 1 2 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.101 -0.104 26649 522 1 2 . 1 1 22 22 PHE C C 22 174.953 174.953 173.681 1.272 26649 523 1 2 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.298 2.192 26649 524 1 2 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.381 4.835 26649 525 1 2 . 1 1 22 22 PHE H H 22 8.744 8.744 9.031 -0.287 26649 526 1 2 . 1 1 23 23 ARG N N 23 122.523 122.523 120.624 1.899 26649 527 1 2 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.126 0.110 26649 528 1 2 . 1 1 23 23 ARG C C 23 175.828 175.828 173.811 2.017 26649 529 1 2 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.114 0.955 26649 530 1 2 . 1 1 23 23 ARG CB C 23 35.838 35.838 34.621 1.216 26649 531 1 2 . 1 1 23 23 ARG H H 23 8.661 8.661 8.634 0.027 26649 532 1 2 . 1 1 24 24 VAL N N 24 126.448 126.448 123.778 2.670 26649 533 1 2 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.992 -0.308 26649 534 1 2 . 1 1 24 24 VAL C C 24 173.637 173.637 174.059 -0.422 26649 535 1 2 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.141 3.630 26649 536 1 2 . 1 1 24 24 VAL CB C 24 39.529 39.529 35.731 3.798 26649 537 1 2 . 1 1 24 24 VAL H H 24 9.342 9.342 8.564 0.778 26649 538 1 2 . 1 1 25 25 GLU N N 25 128.611 128.611 128.245 0.366 26649 539 1 2 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.635 0.078 26649 540 1 2 . 1 1 25 25 GLU C C 25 176.160 176.160 175.535 0.625 26649 541 1 2 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.599 0.782 26649 542 1 2 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.397 3.774 26649 543 1 2 . 1 1 25 25 GLU H H 25 9.125 9.125 9.234 -0.109 26649 544 1 2 . 1 1 26 26 LEU N N 26 129.185 129.185 125.879 3.306 26649 545 1 2 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.698 0.131 26649 546 1 2 . 1 1 26 26 LEU C C 26 179.291 179.291 177.289 2.002 26649 547 1 2 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.987 3.151 26649 548 1 2 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.330 4.964 26649 549 1 2 . 1 1 26 26 LEU H H 26 9.305 9.305 8.706 0.599 26649 550 1 2 . 1 1 27 27 GLU N N 27 119.943 119.943 121.367 -1.424 26649 551 1 2 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.878 0.260 26649 552 1 2 . 1 1 27 27 GLU C C 27 175.981 175.981 176.708 -0.727 26649 553 1 2 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.693 1.652 26649 554 1 2 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.313 4.709 26649 555 1 2 . 1 1 27 27 GLU H H 27 8.624 8.624 8.476 0.148 26649 556 1 2 . 1 1 28 28 ASN N N 28 114.077 114.077 115.298 -1.221 26649 557 1 2 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.603 0.033 26649 558 1 2 . 1 1 28 28 ASN C C 28 176.489 176.489 174.843 1.646 26649 559 1 2 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.892 1.417 26649 560 1 2 . 1 1 28 28 ASN CB C 28 42.187 42.187 38.026 4.161 26649 561 1 2 . 1 1 28 28 ASN H H 28 7.268 7.268 8.053 -0.785 26649 562 1 2 . 1 1 29 29 GLY N N 29 108.202 108.202 104.559 3.643 26649 563 1 2 . 1 1 29 29 GLY C C 29 174.446 174.446 173.649 0.797 26649 564 1 2 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.746 2.576 26649 565 1 2 . 1 1 29 29 GLY H H 29 8.367 8.367 7.784 0.583 26649 566 1 2 . 1 1 30 30 HIS N N 30 119.105 119.105 119.849 -0.744 26649 567 1 2 . 1 1 30 30 HIS HA H 30 4.715 4.715 4.996 -0.281 26649 568 1 2 . 1 1 30 30 HIS C C 30 173.468 173.468 173.562 -0.094 26649 569 1 2 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.880 3.173 26649 570 1 2 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.575 0.134 26649 571 1 2 . 1 1 30 30 HIS H H 30 7.954 7.954 8.649 -0.695 26649 572 1 2 . 1 1 31 31 VAL N N 31 124.046 124.046 120.029 4.017 26649 573 1 2 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.547 0.504 26649 574 1 2 . 1 1 31 31 VAL C C 31 176.209 176.209 174.281 1.928 26649 575 1 2 . 1 1 31 31 VAL CA C 31 62.570 62.570 61.249 1.321 26649 576 1 2 . 1 1 31 31 VAL CB C 31 35.054 35.054 35.152 -0.098 26649 577 1 2 . 1 1 31 31 VAL H H 31 8.601 8.601 8.581 0.020 26649 578 1 2 . 1 1 32 32 VAL N N 32 120.179 120.179 120.715 -0.536 26649 579 1 2 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.695 0.091 26649 580 1 2 . 1 1 32 32 VAL C C 32 175.124 175.124 174.483 0.641 26649 581 1 2 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.300 -0.437 26649 582 1 2 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.072 3.757 26649 583 1 2 . 1 1 32 32 VAL H H 32 8.966 8.966 8.813 0.153 26649 584 1 2 . 1 1 33 33 THR N N 33 118.645 118.645 117.213 1.432 26649 585 1 2 . 1 1 33 33 THR HA H 33 5.061 5.061 5.037 0.024 26649 586 1 2 . 1 1 33 33 THR C C 33 174.171 174.171 172.727 1.444 26649 587 1 2 . 1 1 33 33 THR CA C 33 65.278 65.278 61.663 3.615 26649 588 1 2 . 1 1 33 33 THR CB C 33 72.059 72.059 70.572 1.488 26649 589 1 2 . 1 1 33 33 THR H H 33 8.235 8.235 8.160 0.075 26649 590 1 2 . 1 1 34 34 ALA N N 34 129.128 129.128 128.003 1.125 26649 591 1 2 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.522 0.050 26649 592 1 2 . 1 1 34 34 ALA C C 34 175.686 175.686 174.635 1.051 26649 593 1 2 . 1 1 34 34 ALA CA C 34 53.056 53.056 50.529 2.527 26649 594 1 2 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.782 2.252 26649 595 1 2 . 1 1 34 34 ALA H H 34 9.777 9.777 9.257 0.520 26649 596 1 2 . 1 1 35 35 HIS N N 35 116.059 116.059 117.577 -1.518 26649 597 1 2 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.217 0.294 26649 598 1 2 . 1 1 35 35 HIS C C 35 174.302 174.302 173.429 0.873 26649 599 1 2 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.335 2.716 26649 600 1 2 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.731 2.955 26649 601 1 2 . 1 1 35 35 HIS H H 35 7.712 7.712 8.522 -0.810 26649 602 1 2 . 1 1 36 36 ILE N N 36 119.551 119.551 121.103 -1.552 26649 603 1 2 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.167 0.342 26649 604 1 2 . 1 1 36 36 ILE C C 36 175.686 175.686 174.206 1.480 26649 605 1 2 . 1 1 36 36 ILE CA C 36 62.671 62.671 59.701 2.970 26649 606 1 2 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.151 1.024 26649 607 1 2 . 1 1 36 36 ILE H H 36 9.509 9.509 8.609 0.900 26649 608 1 2 . 1 1 37 37 SER N N 37 120.084 120.084 119.796 0.288 26649 609 1 2 . 1 1 37 37 SER HA H 37 4.543 4.543 4.423 0.120 26649 610 1 2 . 1 1 37 37 SER C C 37 175.073 175.073 175.637 -0.564 26649 611 1 2 . 1 1 37 37 SER CA C 37 61.428 61.428 58.700 2.728 26649 612 1 2 . 1 1 37 37 SER CB C 37 69.228 69.228 64.644 4.584 26649 613 1 2 . 1 1 37 37 SER H H 37 8.427 8.427 8.574 -0.147 26649 614 1 2 . 1 1 38 38 GLY N N 38 112.268 112.268 110.257 2.011 26649 615 1 2 . 1 1 38 38 GLY C C 38 176.124 176.124 175.850 0.274 26649 616 1 2 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.539 2.755 26649 617 1 2 . 1 1 38 38 GLY H H 38 9.059 9.059 8.695 0.364 26649 618 1 2 . 1 1 39 39 LYS N N 39 121.027 121.027 121.571 -0.544 26649 619 1 2 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.019 0.092 26649 620 1 2 . 1 1 39 39 LYS C C 39 178.155 178.155 178.984 -0.829 26649 621 1 2 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.724 1.829 26649 622 1 2 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.196 5.026 26649 623 1 2 . 1 1 39 39 LYS H H 39 8.346 8.346 8.306 0.040 26649 624 1 2 . 1 1 40 40 MET N N 40 118.288 118.288 116.034 2.254 26649 625 1 2 . 1 1 40 40 MET HA H 40 4.281 4.281 4.154 0.127 26649 626 1 2 . 1 1 40 40 MET C C 40 177.179 177.179 178.230 -1.051 26649 627 1 2 . 1 1 40 40 MET CA C 40 58.000 58.000 57.694 0.306 26649 628 1 2 . 1 1 40 40 MET CB C 40 36.025 36.025 30.933 5.092 26649 629 1 2 . 1 1 40 40 MET H H 40 7.741 7.741 8.141 -0.400 26649 630 1 2 . 1 1 41 41 ARG N N 41 119.988 119.988 118.685 1.303 26649 631 1 2 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.050 0.011 26649 632 1 2 . 1 1 41 41 ARG C C 41 177.749 177.749 179.459 -1.710 26649 633 1 2 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.612 0.924 26649 634 1 2 . 1 1 41 41 ARG CB C 41 32.096 32.096 29.828 2.268 26649 635 1 2 . 1 1 41 41 ARG H H 41 7.948 7.948 7.478 0.470 26649 636 1 2 . 1 1 42 42 LYS N N 42 119.136 119.136 119.096 0.040 26649 637 1 2 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.156 -0.078 26649 638 1 2 . 1 1 42 42 LYS C C 42 176.430 176.430 177.799 -1.369 26649 639 1 2 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.755 -0.237 26649 640 1 2 . 1 1 42 42 LYS CB C 42 37.089 37.089 31.965 5.125 26649 641 1 2 . 1 1 42 42 LYS H H 42 7.895 7.895 7.845 0.050 26649 642 1 2 . 1 1 43 43 ASN N N 43 116.823 116.823 116.140 0.683 26649 643 1 2 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.618 0.048 26649 644 1 2 . 1 1 43 43 ASN C C 43 174.310 174.310 175.028 -0.718 26649 645 1 2 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.500 1.442 26649 646 1 2 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.743 4.628 26649 647 1 2 . 1 1 43 43 ASN H H 43 7.840 7.840 7.525 0.315 26649 648 1 2 . 1 1 44 44 TYR N N 44 118.475 118.475 116.141 2.334 26649 649 1 2 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.085 0.272 26649 650 1 2 . 1 1 44 44 TYR C C 44 175.072 175.072 174.206 0.866 26649 651 1 2 . 1 1 44 44 TYR CA C 44 59.757 59.757 59.753 0.004 26649 652 1 2 . 1 1 44 44 TYR CB C 44 42.222 42.222 36.148 6.074 26649 653 1 2 . 1 1 44 44 TYR H H 44 7.701 7.701 7.672 0.029 26649 654 1 2 . 1 1 45 45 ILE N N 45 123.061 123.061 121.822 1.239 26649 655 1 2 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.219 -0.307 26649 656 1 2 . 1 1 45 45 ILE C C 45 174.790 174.790 174.695 0.095 26649 657 1 2 . 1 1 45 45 ILE CA C 45 62.935 62.935 60.525 2.410 26649 658 1 2 . 1 1 45 45 ILE CB C 45 40.718 40.718 40.691 0.027 26649 659 1 2 . 1 1 45 45 ILE H H 45 7.538 7.538 7.631 -0.093 26649 660 1 2 . 1 1 46 46 ARG N N 46 125.163 125.163 127.135 -1.972 26649 661 1 2 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.353 -0.165 26649 662 1 2 . 1 1 46 46 ARG C C 46 174.870 174.870 175.575 -0.705 26649 663 1 2 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.184 1.305 26649 664 1 2 . 1 1 46 46 ARG CB C 46 35.647 35.647 31.052 4.595 26649 665 1 2 . 1 1 46 46 ARG H H 46 8.105 8.105 8.372 -0.267 26649 666 1 2 . 1 1 47 47 ILE N N 47 126.439 126.439 122.454 3.985 26649 667 1 2 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.281 -0.307 26649 668 1 2 . 1 1 47 47 ILE C C 47 173.723 173.723 174.998 -1.275 26649 669 1 2 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.215 1.997 26649 670 1 2 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.210 3.083 26649 671 1 2 . 1 1 47 47 ILE H H 47 8.072 8.072 8.174 -0.102 26649 672 1 2 . 1 1 48 48 LEU N N 48 127.845 127.845 125.179 2.666 26649 673 1 2 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.736 -0.015 26649 674 1 2 . 1 1 48 48 LEU C C 48 177.100 177.100 176.170 0.930 26649 675 1 2 . 1 1 48 48 LEU CA C 48 55.642 55.642 53.642 2.000 26649 676 1 2 . 1 1 48 48 LEU CB C 48 48.008 48.008 43.561 4.447 26649 677 1 2 . 1 1 48 48 LEU H H 48 8.662 8.662 8.179 0.483 26649 678 1 2 . 1 1 49 49 THR N N 49 115.775 115.775 116.849 -1.074 26649 679 1 2 . 1 1 49 49 THR HA H 49 3.611 3.611 4.192 -0.581 26649 680 1 2 . 1 1 49 49 THR C C 49 175.507 175.507 175.384 0.123 26649 681 1 2 . 1 1 49 49 THR CA C 49 67.651 67.651 64.356 3.295 26649 682 1 2 . 1 1 49 49 THR CB C 49 71.174 71.174 69.200 1.974 26649 683 1 2 . 1 1 49 49 THR H H 49 8.281 8.281 8.064 0.217 26649 684 1 2 . 1 1 50 50 GLY N N 50 116.246 116.246 116.503 -0.257 26649 685 1 2 . 1 1 50 50 GLY C C 50 174.433 174.433 172.740 1.693 26649 686 1 2 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.888 1.991 26649 687 1 2 . 1 1 50 50 GLY H H 50 9.211 9.211 8.828 0.383 26649 688 1 2 . 1 1 51 51 ASP N N 51 121.695 121.695 120.245 1.450 26649 689 1 2 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.634 -0.059 26649 690 1 2 . 1 1 51 51 ASP C C 51 175.571 175.571 175.694 -0.123 26649 691 1 2 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.442 6.009 26649 692 1 2 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.306 3.163 26649 693 1 2 . 1 1 51 51 ASP H H 51 8.114 8.114 7.618 0.496 26649 694 1 2 . 1 1 52 52 LYS N N 52 121.380 121.380 124.208 -2.828 26649 695 1 2 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.489 0.605 26649 696 1 2 . 1 1 52 52 LYS C C 52 176.630 176.630 176.118 0.512 26649 697 1 2 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.151 -0.059 26649 698 1 2 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.307 4.600 26649 699 1 2 . 1 1 52 52 LYS H H 52 8.504 8.504 8.137 0.367 26649 700 1 2 . 1 1 53 53 VAL N N 53 115.067 115.067 118.308 -3.241 26649 701 1 2 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.113 0.070 26649 702 1 2 . 1 1 53 53 VAL C C 53 174.865 174.865 174.477 0.388 26649 703 1 2 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.532 0.510 26649 704 1 2 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.809 2.713 26649 705 1 2 . 1 1 53 53 VAL H H 53 8.730 8.730 9.261 -0.531 26649 706 1 2 . 1 1 54 54 ARG N N 54 118.772 118.772 121.626 -2.854 26649 707 1 2 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.542 0.352 26649 708 1 2 . 1 1 54 54 ARG C C 54 175.140 175.140 175.107 0.033 26649 709 1 2 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.213 1.423 26649 710 1 2 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.336 6.207 26649 711 1 2 . 1 1 54 54 ARG H H 54 8.208 8.208 8.704 -0.496 26649 712 1 2 . 1 1 55 55 VAL N N 55 121.560 121.560 127.641 -6.081 26649 713 1 2 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.995 -0.253 26649 714 1 2 . 1 1 55 55 VAL C C 55 173.816 173.816 175.381 -1.565 26649 715 1 2 . 1 1 55 55 VAL CA C 55 60.803 60.803 59.838 0.965 26649 716 1 2 . 1 1 55 55 VAL CB C 55 36.721 36.721 32.680 4.041 26649 717 1 2 . 1 1 55 55 VAL H H 55 8.961 8.961 8.910 0.051 26649 718 1 2 . 1 1 56 56 GLU N N 56 126.127 126.127 126.821 -0.694 26649 719 1 2 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.195 -0.292 26649 720 1 2 . 1 1 56 56 GLU C C 56 176.010 176.010 176.065 -0.055 26649 721 1 2 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.972 0.795 26649 722 1 2 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.787 4.443 26649 723 1 2 . 1 1 56 56 GLU H H 56 9.296 9.296 8.725 0.571 26649 724 1 2 . 1 1 57 57 LEU N N 57 129.725 129.725 127.317 2.408 26649 725 1 2 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.950 -0.219 26649 726 1 2 . 1 1 57 57 LEU C C 57 175.520 175.520 177.158 -1.638 26649 727 1 2 . 1 1 57 57 LEU CA C 57 56.187 56.187 54.051 2.135 26649 728 1 2 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.416 2.624 26649 729 1 2 . 1 1 57 57 LEU H H 57 9.057 9.057 9.002 0.055 26649 730 1 2 . 1 1 58 58 THR N N 58 114.373 114.373 112.470 1.903 26649 731 1 2 . 1 1 58 58 THR HA H 58 4.684 4.684 5.023 -0.339 26649 732 1 2 . 1 1 58 58 THR CA C 58 59.837 59.837 58.946 0.891 26649 733 1 2 . 1 1 58 58 THR CB C 58 71.774 71.774 70.114 1.660 26649 734 1 2 . 1 1 58 58 THR H H 58 8.645 8.645 8.020 0.625 26649 735 1 2 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.268 -0.152 26649 736 1 2 . 1 1 59 59 PRO C C 59 176.717 176.717 177.153 -0.436 26649 737 1 2 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.722 2.607 26649 738 1 2 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.332 5.064 26649 739 1 2 . 1 1 60 60 TYR N N 60 113.100 113.100 117.113 -4.013 26649 740 1 2 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.414 0.019 26649 741 1 2 . 1 1 60 60 TYR C C 60 175.684 175.684 175.562 0.122 26649 742 1 2 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.614 -0.560 26649 743 1 2 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.643 3.702 26649 744 1 2 . 1 1 60 60 TYR H H 60 7.057 7.057 7.832 -0.775 26649 745 1 2 . 1 1 61 61 ASP N N 61 118.239 118.239 116.776 1.463 26649 746 1 2 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.812 -0.105 26649 747 1 2 . 1 1 61 61 ASP C C 61 175.155 175.155 175.605 -0.450 26649 748 1 2 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.226 3.010 26649 749 1 2 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.558 4.560 26649 750 1 2 . 1 1 61 61 ASP H H 61 7.349 7.349 7.631 -0.282 26649 751 1 2 . 1 1 62 62 LEU N N 62 124.571 124.571 120.832 3.739 26649 752 1 2 . 1 1 62 62 LEU HA H 62 4.400 4.400 3.944 0.456 26649 753 1 2 . 1 1 62 62 LEU C C 62 176.534 176.534 178.292 -1.758 26649 754 1 2 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.892 -0.828 26649 755 1 2 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.901 3.564 26649 756 1 2 . 1 1 62 62 LEU H H 62 8.713 8.713 8.469 0.244 26649 757 1 2 . 1 1 63 63 SER N N 63 113.199 113.199 110.804 2.395 26649 758 1 2 . 1 1 63 63 SER HA H 63 4.672 4.672 4.147 0.525 26649 759 1 2 . 1 1 63 63 SER C C 63 174.199 174.199 174.230 -0.031 26649 760 1 2 . 1 1 63 63 SER CA C 63 60.593 60.593 60.229 0.364 26649 761 1 2 . 1 1 63 63 SER CB C 63 69.233 69.233 62.971 6.262 26649 762 1 2 . 1 1 63 63 SER H H 63 8.515 8.515 8.293 0.222 26649 763 1 2 . 1 1 64 64 LYS N N 64 122.388 122.388 119.352 3.036 26649 764 1 2 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.163 0.300 26649 765 1 2 . 1 1 64 64 LYS C C 64 174.870 174.870 175.190 -0.320 26649 766 1 2 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.248 0.340 26649 767 1 2 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.765 4.394 26649 768 1 2 . 1 1 64 64 LYS H H 64 7.646 7.646 7.891 -0.245 26649 769 1 2 . 1 1 65 65 GLY N N 65 103.185 103.185 108.932 -5.747 26649 770 1 2 . 1 1 65 65 GLY C C 65 171.434 171.434 171.971 -0.537 26649 771 1 2 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.474 2.811 26649 772 1 2 . 1 1 65 65 GLY H H 65 7.803 7.803 8.929 -1.126 26649 773 1 2 . 1 1 66 66 ARG N N 66 118.652 118.652 117.245 1.407 26649 774 1 2 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.818 0.148 26649 775 1 2 . 1 1 66 66 ARG C C 66 175.315 175.315 174.417 0.898 26649 776 1 2 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.224 0.711 26649 777 1 2 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.820 3.200 26649 778 1 2 . 1 1 66 66 ARG H H 66 8.468 8.468 8.256 0.212 26649 779 1 2 . 1 1 67 67 ILE N N 67 125.685 125.685 121.665 4.020 26649 780 1 2 . 1 1 67 67 ILE HA H 67 4.523 4.523 5.038 -0.515 26649 781 1 2 . 1 1 67 67 ILE C C 67 175.888 175.888 175.935 -0.047 26649 782 1 2 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.575 4.403 26649 783 1 2 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.798 2.875 26649 784 1 2 . 1 1 67 67 ILE H H 67 9.078 9.078 8.341 0.737 26649 785 1 2 . 1 1 68 68 THR N N 68 117.575 117.575 118.899 -1.324 26649 786 1 2 . 1 1 68 68 THR HA H 68 4.485 4.485 4.469 0.016 26649 787 1 2 . 1 1 68 68 THR C C 68 174.989 174.989 173.656 1.333 26649 788 1 2 . 1 1 68 68 THR CA C 68 64.174 64.174 61.658 2.516 26649 789 1 2 . 1 1 68 68 THR CB C 68 72.920 72.920 69.918 3.002 26649 790 1 2 . 1 1 68 68 THR H H 68 8.649 8.649 8.468 0.181 26649 791 1 2 . 1 1 69 69 TYR N N 69 122.143 122.143 121.869 0.274 26649 792 1 2 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.357 0.234 26649 793 1 2 . 1 1 69 69 TYR C C 69 172.880 172.880 173.279 -0.399 26649 794 1 2 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.964 3.840 26649 795 1 2 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.099 6.311 26649 796 1 2 . 1 1 69 69 TYR H H 69 7.538 7.538 8.251 -0.713 26649 797 1 2 . 1 1 70 70 ARG N N 70 126.202 126.202 125.450 0.752 26649 798 1 2 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.131 -0.515 26649 799 1 2 . 1 1 70 70 ARG C C 70 173.644 173.644 173.813 -0.169 26649 800 1 2 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.372 3.499 26649 801 1 2 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.363 2.023 26649 802 1 2 . 1 1 70 70 ARG H H 70 7.716 7.716 7.615 0.101 26649 803 1 2 . 1 1 71 71 ALA N N 71 128.442 128.442 123.851 4.591 26649 804 1 2 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.728 -0.632 26649 805 1 2 . 1 1 71 71 ALA C C 71 176.753 176.753 175.353 1.400 26649 806 1 2 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.562 4.704 26649 807 1 2 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.104 -0.893 26649 808 1 2 . 1 1 71 71 ALA H H 71 8.456 8.456 8.960 -0.504 26649 809 1 3 . 1 1 2 2 SER N N 2 116.344 116.344 118.285 -1.941 26649 810 1 3 . 1 1 2 2 SER HA H 2 4.543 4.543 4.614 -0.071 26649 811 1 3 . 1 1 2 2 SER C C 2 174.500 174.500 173.203 1.297 26649 812 1 3 . 1 1 2 2 SER CA C 2 61.592 61.592 58.252 3.340 26649 813 1 3 . 1 1 2 2 SER CB C 2 68.657 68.657 63.806 4.851 26649 814 1 3 . 1 1 2 2 SER H H 2 8.756 8.756 8.266 0.490 26649 815 1 3 . 1 1 3 3 LYS N N 3 123.531 123.531 120.135 3.396 26649 816 1 3 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.443 -0.118 26649 817 1 3 . 1 1 3 3 LYS C C 3 176.570 176.570 175.199 1.371 26649 818 1 3 . 1 1 3 3 LYS CA C 3 59.818 59.818 55.435 4.383 26649 819 1 3 . 1 1 3 3 LYS CB C 3 37.493 37.493 34.138 3.355 26649 820 1 3 . 1 1 3 3 LYS H H 3 8.582 8.582 8.185 0.397 26649 821 1 3 . 1 1 4 4 GLU N N 4 121.085 121.085 120.632 0.453 26649 822 1 3 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.122 0.220 26649 823 1 3 . 1 1 4 4 GLU C C 4 176.071 176.071 174.241 1.830 26649 824 1 3 . 1 1 4 4 GLU CA C 4 59.923 59.923 58.392 1.532 26649 825 1 3 . 1 1 4 4 GLU CB C 4 34.420 34.420 28.245 6.175 26649 826 1 3 . 1 1 4 4 GLU H H 4 8.488 8.488 8.967 -0.479 26649 827 1 3 . 1 1 5 5 ASP N N 5 120.965 120.965 121.005 -0.040 26649 828 1 3 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.630 0.024 26649 829 1 3 . 1 1 5 5 ASP C C 5 175.760 175.760 174.422 1.338 26649 830 1 3 . 1 1 5 5 ASP CA C 5 57.262 57.262 52.907 4.355 26649 831 1 3 . 1 1 5 5 ASP CB C 5 45.605 45.605 42.450 3.155 26649 832 1 3 . 1 1 5 5 ASP H H 5 8.235 8.235 7.994 0.241 26649 833 1 3 . 1 1 6 6 SER N N 6 114.678 114.678 114.795 -0.117 26649 834 1 3 . 1 1 6 6 SER HA H 6 4.783 4.783 4.843 -0.060 26649 835 1 3 . 1 1 6 6 SER C C 6 173.417 173.417 173.170 0.247 26649 836 1 3 . 1 1 6 6 SER CA C 6 62.802 62.802 58.065 4.737 26649 837 1 3 . 1 1 6 6 SER CB C 6 69.115 69.115 64.267 4.848 26649 838 1 3 . 1 1 6 6 SER H H 6 8.018 8.018 8.341 -0.323 26649 839 1 3 . 1 1 7 7 PHE N N 7 119.686 119.686 118.814 0.872 26649 840 1 3 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.748 0.113 26649 841 1 3 . 1 1 7 7 PHE C C 7 173.245 173.245 173.844 -0.599 26649 842 1 3 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.198 1.224 26649 843 1 3 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.959 0.771 26649 844 1 3 . 1 1 7 7 PHE H H 7 8.612 8.612 8.049 0.563 26649 845 1 3 . 1 1 8 8 GLU N N 8 119.627 119.627 120.098 -0.471 26649 846 1 3 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.426 -0.031 26649 847 1 3 . 1 1 8 8 GLU C C 8 176.059 176.059 175.537 0.522 26649 848 1 3 . 1 1 8 8 GLU CA C 8 56.352 56.352 54.593 1.759 26649 849 1 3 . 1 1 8 8 GLU CB C 8 37.409 37.409 32.402 5.007 26649 850 1 3 . 1 1 8 8 GLU H H 8 8.362 8.362 8.686 -0.324 26649 851 1 3 . 1 1 9 9 MET N N 9 121.547 121.547 122.401 -0.854 26649 852 1 3 . 1 1 9 9 MET HA H 9 4.796 4.796 4.720 0.076 26649 853 1 3 . 1 1 9 9 MET C C 9 174.247 174.247 173.922 0.325 26649 854 1 3 . 1 1 9 9 MET CA C 9 57.733 57.733 55.110 2.623 26649 855 1 3 . 1 1 9 9 MET CB C 9 42.776 42.776 37.008 5.768 26649 856 1 3 . 1 1 9 9 MET H H 9 8.895 8.895 8.814 0.081 26649 857 1 3 . 1 1 10 10 GLU N N 10 122.112 122.112 124.034 -1.922 26649 858 1 3 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.268 -0.280 26649 859 1 3 . 1 1 10 10 GLU C C 10 176.016 176.016 176.551 -0.535 26649 860 1 3 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.691 0.994 26649 861 1 3 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.827 4.965 26649 862 1 3 . 1 1 10 10 GLU H H 10 8.820 8.820 8.597 0.223 26649 863 1 3 . 1 1 11 11 GLY N N 11 106.766 106.766 108.880 -2.114 26649 864 1 3 . 1 1 11 11 GLY C C 11 171.420 171.420 172.671 -1.251 26649 865 1 3 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.176 2.932 26649 866 1 3 . 1 1 11 11 GLY H H 11 8.771 8.771 8.865 -0.094 26649 867 1 3 . 1 1 12 12 THR N N 12 116.018 116.018 116.270 -0.252 26649 868 1 3 . 1 1 12 12 THR HA H 12 5.118 5.118 4.957 0.161 26649 869 1 3 . 1 1 12 12 THR C C 12 174.240 174.240 173.784 0.456 26649 870 1 3 . 1 1 12 12 THR CA C 12 64.101 64.101 61.830 2.271 26649 871 1 3 . 1 1 12 12 THR CB C 12 74.309 74.309 70.844 3.465 26649 872 1 3 . 1 1 12 12 THR H H 12 8.434 8.434 8.168 0.266 26649 873 1 3 . 1 1 13 13 VAL N N 13 127.555 127.555 125.280 2.275 26649 874 1 3 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.521 -0.502 26649 875 1 3 . 1 1 13 13 VAL C C 13 176.464 176.464 174.358 2.106 26649 876 1 3 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.623 6.044 26649 877 1 3 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.498 4.503 26649 878 1 3 . 1 1 13 13 VAL H H 13 9.177 9.177 8.311 0.866 26649 879 1 3 . 1 1 14 14 VAL N N 14 124.300 124.300 124.366 -0.066 26649 880 1 3 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.396 0.263 26649 881 1 3 . 1 1 14 14 VAL C C 14 175.424 175.424 174.233 1.191 26649 882 1 3 . 1 1 14 14 VAL CA C 14 64.017 64.017 60.856 3.160 26649 883 1 3 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.203 5.566 26649 884 1 3 . 1 1 14 14 VAL H H 14 9.240 9.240 8.206 1.034 26649 885 1 3 . 1 1 15 15 ASP N N 15 117.873 117.873 121.590 -3.717 26649 886 1 3 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.708 0.292 26649 887 1 3 . 1 1 15 15 ASP C C 15 175.239 175.239 174.761 0.478 26649 888 1 3 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.368 2.117 26649 889 1 3 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.472 2.726 26649 890 1 3 . 1 1 15 15 ASP H H 15 7.912 7.912 8.172 -0.260 26649 891 1 3 . 1 1 16 16 THR N N 16 115.850 115.850 116.561 -0.711 26649 892 1 3 . 1 1 16 16 THR HA H 16 4.415 4.415 4.718 -0.303 26649 893 1 3 . 1 1 16 16 THR C C 16 172.752 172.752 173.465 -0.713 26649 894 1 3 . 1 1 16 16 THR CA C 16 64.002 64.002 61.157 2.845 26649 895 1 3 . 1 1 16 16 THR CB C 16 73.042 73.042 70.400 2.642 26649 896 1 3 . 1 1 16 16 THR H H 16 8.666 8.666 8.448 0.218 26649 897 1 3 . 1 1 17 17 LEU N N 17 124.937 124.937 124.980 -0.043 26649 898 1 3 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.961 -0.264 26649 899 1 3 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.282 1.972 26649 900 1 3 . 1 1 17 17 LEU CB C 17 43.502 43.502 44.801 -1.299 26649 901 1 3 . 1 1 17 17 LEU H H 17 7.894 7.894 8.141 -0.247 26649 902 1 3 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.686 -0.314 26649 903 1 3 . 1 1 18 18 PRO C C 18 175.846 175.846 176.184 -0.338 26649 904 1 3 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.625 2.602 26649 905 1 3 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.214 4.739 26649 906 1 3 . 1 1 19 19 ASN N N 19 114.919 114.919 116.023 -1.104 26649 907 1 3 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.510 -0.165 26649 908 1 3 . 1 1 19 19 ASN C C 19 175.137 175.137 174.186 0.951 26649 909 1 3 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.488 3.293 26649 910 1 3 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.441 3.891 26649 911 1 3 . 1 1 19 19 ASN H H 19 8.714 8.714 8.739 -0.025 26649 912 1 3 . 1 1 20 20 THR N N 20 110.616 110.616 107.548 3.068 26649 913 1 3 . 1 1 20 20 THR HA H 20 3.881 3.881 3.680 0.201 26649 914 1 3 . 1 1 20 20 THR C C 20 172.384 172.384 172.637 -0.253 26649 915 1 3 . 1 1 20 20 THR CA C 20 65.985 65.985 63.508 2.477 26649 916 1 3 . 1 1 20 20 THR CB C 20 70.012 70.012 67.509 2.503 26649 917 1 3 . 1 1 20 20 THR H H 20 8.579 8.579 8.264 0.315 26649 918 1 3 . 1 1 21 21 MET N N 21 115.910 115.910 116.659 -0.749 26649 919 1 3 . 1 1 21 21 MET HA H 21 5.074 5.074 4.281 0.793 26649 920 1 3 . 1 1 21 21 MET C C 21 175.080 175.080 173.288 1.792 26649 921 1 3 . 1 1 21 21 MET CA C 21 54.347 54.347 53.572 0.775 26649 922 1 3 . 1 1 21 21 MET CB C 21 38.359 38.359 37.270 1.089 26649 923 1 3 . 1 1 21 21 MET H H 21 6.314 6.314 6.925 -0.611 26649 924 1 3 . 1 1 22 22 PHE N N 22 115.989 115.989 115.730 0.259 26649 925 1 3 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.104 -0.107 26649 926 1 3 . 1 1 22 22 PHE C C 22 174.953 174.953 173.689 1.264 26649 927 1 3 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.142 2.349 26649 928 1 3 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.368 4.848 26649 929 1 3 . 1 1 22 22 PHE H H 22 8.744 8.744 8.857 -0.113 26649 930 1 3 . 1 1 23 23 ARG N N 23 122.523 122.523 121.181 1.342 26649 931 1 3 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.154 0.082 26649 932 1 3 . 1 1 23 23 ARG C C 23 175.828 175.828 173.946 1.882 26649 933 1 3 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.908 1.161 26649 934 1 3 . 1 1 23 23 ARG CB C 23 35.838 35.838 34.248 1.591 26649 935 1 3 . 1 1 23 23 ARG H H 23 8.661 8.661 8.717 -0.056 26649 936 1 3 . 1 1 24 24 VAL N N 24 126.448 126.448 123.381 3.067 26649 937 1 3 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.989 -0.305 26649 938 1 3 . 1 1 24 24 VAL C C 24 173.637 173.637 173.956 -0.319 26649 939 1 3 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.885 2.886 26649 940 1 3 . 1 1 24 24 VAL CB C 24 39.529 39.529 35.970 3.559 26649 941 1 3 . 1 1 24 24 VAL H H 24 9.342 9.342 8.499 0.843 26649 942 1 3 . 1 1 25 25 GLU N N 25 128.611 128.611 127.485 1.126 26649 943 1 3 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.649 0.064 26649 944 1 3 . 1 1 25 25 GLU C C 25 176.160 176.160 175.552 0.608 26649 945 1 3 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.814 0.567 26649 946 1 3 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.425 3.746 26649 947 1 3 . 1 1 25 25 GLU H H 25 9.125 9.125 9.075 0.050 26649 948 1 3 . 1 1 26 26 LEU N N 26 129.185 129.185 123.648 5.537 26649 949 1 3 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.745 0.084 26649 950 1 3 . 1 1 26 26 LEU C C 26 179.291 179.291 177.169 2.122 26649 951 1 3 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.509 2.629 26649 952 1 3 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.256 5.038 26649 953 1 3 . 1 1 26 26 LEU H H 26 9.305 9.305 8.998 0.307 26649 954 1 3 . 1 1 27 27 GLU N N 27 119.943 119.943 120.134 -0.191 26649 955 1 3 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.893 0.245 26649 956 1 3 . 1 1 27 27 GLU C C 27 175.981 175.981 176.407 -0.426 26649 957 1 3 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.440 1.905 26649 958 1 3 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.654 5.368 26649 959 1 3 . 1 1 27 27 GLU H H 27 8.624 8.624 8.596 0.028 26649 960 1 3 . 1 1 28 28 ASN N N 28 114.077 114.077 116.981 -2.904 26649 961 1 3 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.606 0.030 26649 962 1 3 . 1 1 28 28 ASN C C 28 176.489 176.489 175.046 1.443 26649 963 1 3 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.889 1.420 26649 964 1 3 . 1 1 28 28 ASN CB C 28 42.187 42.187 38.002 4.185 26649 965 1 3 . 1 1 28 28 ASN H H 28 7.268 7.268 8.122 -0.854 26649 966 1 3 . 1 1 29 29 GLY N N 29 108.202 108.202 104.900 3.302 26649 967 1 3 . 1 1 29 29 GLY C C 29 174.446 174.446 173.607 0.839 26649 968 1 3 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.802 2.520 26649 969 1 3 . 1 1 29 29 GLY H H 29 8.367 8.367 7.782 0.585 26649 970 1 3 . 1 1 30 30 HIS N N 30 119.105 119.105 120.309 -1.204 26649 971 1 3 . 1 1 30 30 HIS HA H 30 4.715 4.715 4.953 -0.238 26649 972 1 3 . 1 1 30 30 HIS C C 30 173.468 173.468 173.099 0.369 26649 973 1 3 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.391 2.663 26649 974 1 3 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.316 0.393 26649 975 1 3 . 1 1 30 30 HIS H H 30 7.954 7.954 8.709 -0.755 26649 976 1 3 . 1 1 31 31 VAL N N 31 124.046 124.046 123.274 0.772 26649 977 1 3 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.448 0.603 26649 978 1 3 . 1 1 31 31 VAL C C 31 176.209 176.209 174.356 1.853 26649 979 1 3 . 1 1 31 31 VAL CA C 31 62.570 62.570 61.598 0.972 26649 980 1 3 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.735 0.319 26649 981 1 3 . 1 1 31 31 VAL H H 31 8.601 8.601 8.647 -0.046 26649 982 1 3 . 1 1 32 32 VAL N N 32 120.179 120.179 124.304 -4.125 26649 983 1 3 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.524 0.262 26649 984 1 3 . 1 1 32 32 VAL C C 32 175.124 175.124 174.324 0.800 26649 985 1 3 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.471 -0.608 26649 986 1 3 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.450 3.379 26649 987 1 3 . 1 1 32 32 VAL H H 32 8.966 8.966 8.822 0.144 26649 988 1 3 . 1 1 33 33 THR N N 33 118.645 118.645 117.485 1.160 26649 989 1 3 . 1 1 33 33 THR HA H 33 5.061 5.061 4.855 0.206 26649 990 1 3 . 1 1 33 33 THR C C 33 174.171 174.171 172.851 1.320 26649 991 1 3 . 1 1 33 33 THR CA C 33 65.278 65.278 62.050 3.228 26649 992 1 3 . 1 1 33 33 THR CB C 33 72.059 72.059 70.125 1.934 26649 993 1 3 . 1 1 33 33 THR H H 33 8.235 8.235 8.115 0.120 26649 994 1 3 . 1 1 34 34 ALA N N 34 129.128 129.128 128.150 0.978 26649 995 1 3 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.496 0.076 26649 996 1 3 . 1 1 34 34 ALA C C 34 175.686 175.686 174.852 0.834 26649 997 1 3 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.254 3.802 26649 998 1 3 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.990 2.044 26649 999 1 3 . 1 1 34 34 ALA H H 34 9.777 9.777 9.403 0.374 26649 1000 1 3 . 1 1 35 35 HIS N N 35 116.059 116.059 117.841 -1.782 26649 1001 1 3 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.128 0.383 26649 1002 1 3 . 1 1 35 35 HIS C C 35 174.302 174.302 173.435 0.867 26649 1003 1 3 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.872 1.179 26649 1004 1 3 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.790 2.896 26649 1005 1 3 . 1 1 35 35 HIS H H 35 7.712 7.712 8.520 -0.808 26649 1006 1 3 . 1 1 36 36 ILE N N 36 119.551 119.551 126.154 -6.603 26649 1007 1 3 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.321 0.188 26649 1008 1 3 . 1 1 36 36 ILE C C 36 175.686 175.686 175.347 0.339 26649 1009 1 3 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.801 1.870 26649 1010 1 3 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.199 1.976 26649 1011 1 3 . 1 1 36 36 ILE H H 36 9.509 9.509 8.695 0.814 26649 1012 1 3 . 1 1 37 37 SER N N 37 120.084 120.084 124.021 -3.937 26649 1013 1 3 . 1 1 37 37 SER HA H 37 4.543 4.543 4.528 0.015 26649 1014 1 3 . 1 1 37 37 SER C C 37 175.073 175.073 175.838 -0.765 26649 1015 1 3 . 1 1 37 37 SER CA C 37 61.428 61.428 58.968 2.460 26649 1016 1 3 . 1 1 37 37 SER CB C 37 69.228 69.228 63.904 5.324 26649 1017 1 3 . 1 1 37 37 SER H H 37 8.427 8.427 8.812 -0.385 26649 1018 1 3 . 1 1 38 38 GLY N N 38 112.268 112.268 108.509 3.759 26649 1019 1 3 . 1 1 38 38 GLY C C 38 176.124 176.124 175.981 0.143 26649 1020 1 3 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.484 2.810 26649 1021 1 3 . 1 1 38 38 GLY H H 38 9.059 9.059 8.642 0.417 26649 1022 1 3 . 1 1 39 39 LYS N N 39 121.027 121.027 121.631 -0.604 26649 1023 1 3 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.262 -0.151 26649 1024 1 3 . 1 1 39 39 LYS C C 39 178.155 178.155 178.446 -0.291 26649 1025 1 3 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.028 2.525 26649 1026 1 3 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.435 4.787 26649 1027 1 3 . 1 1 39 39 LYS H H 39 8.346 8.346 8.004 0.342 26649 1028 1 3 . 1 1 40 40 MET N N 40 118.288 118.288 116.069 2.219 26649 1029 1 3 . 1 1 40 40 MET HA H 40 4.281 4.281 4.427 -0.146 26649 1030 1 3 . 1 1 40 40 MET C C 40 177.179 177.179 178.085 -0.906 26649 1031 1 3 . 1 1 40 40 MET CA C 40 58.000 58.000 57.279 0.721 26649 1032 1 3 . 1 1 40 40 MET CB C 40 36.025 36.025 30.905 5.120 26649 1033 1 3 . 1 1 40 40 MET H H 40 7.741 7.741 8.167 -0.426 26649 1034 1 3 . 1 1 41 41 ARG N N 41 119.988 119.988 121.283 -1.295 26649 1035 1 3 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.235 -0.174 26649 1036 1 3 . 1 1 41 41 ARG C C 41 177.749 177.749 178.424 -0.675 26649 1037 1 3 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.442 1.094 26649 1038 1 3 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.087 2.009 26649 1039 1 3 . 1 1 41 41 ARG H H 41 7.948 7.948 7.705 0.243 26649 1040 1 3 . 1 1 42 42 LYS N N 42 119.136 119.136 119.122 0.014 26649 1041 1 3 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.258 -0.180 26649 1042 1 3 . 1 1 42 42 LYS C C 42 176.430 176.430 178.185 -1.755 26649 1043 1 3 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.285 0.233 26649 1044 1 3 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.666 4.423 26649 1045 1 3 . 1 1 42 42 LYS H H 42 7.895 7.895 7.739 0.156 26649 1046 1 3 . 1 1 43 43 ASN N N 43 116.823 116.823 117.275 -0.452 26649 1047 1 3 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.669 -0.003 26649 1048 1 3 . 1 1 43 43 ASN C C 43 174.310 174.310 173.986 0.324 26649 1049 1 3 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.880 1.062 26649 1050 1 3 . 1 1 43 43 ASN CB C 43 43.371 43.371 39.504 3.868 26649 1051 1 3 . 1 1 43 43 ASN H H 43 7.840 7.840 8.087 -0.247 26649 1052 1 3 . 1 1 44 44 TYR N N 44 118.475 118.475 118.078 0.397 26649 1053 1 3 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.484 -0.127 26649 1054 1 3 . 1 1 44 44 TYR C C 44 175.072 175.072 173.610 1.462 26649 1055 1 3 . 1 1 44 44 TYR CA C 44 59.757 59.757 57.293 2.464 26649 1056 1 3 . 1 1 44 44 TYR CB C 44 42.222 42.222 40.532 1.690 26649 1057 1 3 . 1 1 44 44 TYR H H 44 7.701 7.701 7.358 0.343 26649 1058 1 3 . 1 1 45 45 ILE N N 45 123.061 123.061 123.804 -0.743 26649 1059 1 3 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.827 0.085 26649 1060 1 3 . 1 1 45 45 ILE C C 45 174.790 174.790 175.726 -0.936 26649 1061 1 3 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.407 0.528 26649 1062 1 3 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.902 1.816 26649 1063 1 3 . 1 1 45 45 ILE H H 45 7.538 7.538 7.703 -0.165 26649 1064 1 3 . 1 1 46 46 ARG N N 46 125.163 125.163 122.148 3.015 26649 1065 1 3 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.098 0.090 26649 1066 1 3 . 1 1 46 46 ARG C C 46 174.870 174.870 175.487 -0.617 26649 1067 1 3 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.693 0.796 26649 1068 1 3 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.422 5.226 26649 1069 1 3 . 1 1 46 46 ARG H H 46 8.105 8.105 8.251 -0.146 26649 1070 1 3 . 1 1 47 47 ILE N N 47 126.439 126.439 120.200 6.239 26649 1071 1 3 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.100 -0.126 26649 1072 1 3 . 1 1 47 47 ILE C C 47 173.723 173.723 176.190 -2.467 26649 1073 1 3 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.606 1.606 26649 1074 1 3 . 1 1 47 47 ILE CB C 47 42.293 42.293 38.484 3.809 26649 1075 1 3 . 1 1 47 47 ILE H H 47 8.072 8.072 8.212 -0.140 26649 1076 1 3 . 1 1 48 48 LEU N N 48 127.845 127.845 128.358 -0.513 26649 1077 1 3 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.491 0.230 26649 1078 1 3 . 1 1 48 48 LEU C C 48 177.100 177.100 176.735 0.365 26649 1079 1 3 . 1 1 48 48 LEU CA C 48 55.642 55.642 53.994 1.648 26649 1080 1 3 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.810 5.197 26649 1081 1 3 . 1 1 48 48 LEU H H 48 8.662 8.662 8.307 0.355 26649 1082 1 3 . 1 1 49 49 THR N N 49 115.775 115.775 116.519 -0.744 26649 1083 1 3 . 1 1 49 49 THR HA H 49 3.611 3.611 4.193 -0.582 26649 1084 1 3 . 1 1 49 49 THR C C 49 175.507 175.507 175.147 0.360 26649 1085 1 3 . 1 1 49 49 THR CA C 49 67.651 67.651 63.824 3.827 26649 1086 1 3 . 1 1 49 49 THR CB C 49 71.174 71.174 69.161 2.013 26649 1087 1 3 . 1 1 49 49 THR H H 49 8.281 8.281 8.047 0.234 26649 1088 1 3 . 1 1 50 50 GLY N N 50 116.246 116.246 116.543 -0.297 26649 1089 1 3 . 1 1 50 50 GLY C C 50 174.433 174.433 172.799 1.634 26649 1090 1 3 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.969 1.910 26649 1091 1 3 . 1 1 50 50 GLY H H 50 9.211 9.211 9.005 0.206 26649 1092 1 3 . 1 1 51 51 ASP N N 51 121.695 121.695 121.523 0.172 26649 1093 1 3 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.667 -0.092 26649 1094 1 3 . 1 1 51 51 ASP C C 51 175.571 175.571 175.495 0.076 26649 1095 1 3 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.942 4.509 26649 1096 1 3 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.017 2.452 26649 1097 1 3 . 1 1 51 51 ASP H H 51 8.114 8.114 7.746 0.368 26649 1098 1 3 . 1 1 52 52 LYS N N 52 121.380 121.380 125.958 -4.578 26649 1099 1 3 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.528 0.566 26649 1100 1 3 . 1 1 52 52 LYS C C 52 176.630 176.630 175.738 0.892 26649 1101 1 3 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.092 0.000 26649 1102 1 3 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.262 4.645 26649 1103 1 3 . 1 1 52 52 LYS H H 52 8.504 8.504 8.061 0.443 26649 1104 1 3 . 1 1 53 53 VAL N N 53 115.067 115.067 119.932 -4.865 26649 1105 1 3 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.239 -0.056 26649 1106 1 3 . 1 1 53 53 VAL C C 53 174.865 174.865 174.383 0.482 26649 1107 1 3 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.333 0.709 26649 1108 1 3 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.533 2.990 26649 1109 1 3 . 1 1 53 53 VAL H H 53 8.730 8.730 9.148 -0.418 26649 1110 1 3 . 1 1 54 54 ARG N N 54 118.772 118.772 121.276 -2.504 26649 1111 1 3 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.609 0.285 26649 1112 1 3 . 1 1 54 54 ARG C C 54 175.140 175.140 175.122 0.018 26649 1113 1 3 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.142 1.494 26649 1114 1 3 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.280 6.263 26649 1115 1 3 . 1 1 54 54 ARG H H 54 8.208 8.208 8.964 -0.756 26649 1116 1 3 . 1 1 55 55 VAL N N 55 121.560 121.560 127.220 -5.660 26649 1117 1 3 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.153 -0.411 26649 1118 1 3 . 1 1 55 55 VAL C C 55 173.816 173.816 175.366 -1.550 26649 1119 1 3 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.689 0.114 26649 1120 1 3 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.948 2.773 26649 1121 1 3 . 1 1 55 55 VAL H H 55 8.961 8.961 8.792 0.169 26649 1122 1 3 . 1 1 56 56 GLU N N 56 126.127 126.127 123.619 2.508 26649 1123 1 3 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.287 -0.384 26649 1124 1 3 . 1 1 56 56 GLU C C 56 176.010 176.010 175.871 0.139 26649 1125 1 3 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.085 1.682 26649 1126 1 3 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.788 4.442 26649 1127 1 3 . 1 1 56 56 GLU H H 56 9.296 9.296 8.328 0.968 26649 1128 1 3 . 1 1 57 57 LEU N N 57 129.725 129.725 126.461 3.264 26649 1129 1 3 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.922 -0.191 26649 1130 1 3 . 1 1 57 57 LEU C C 57 175.520 175.520 177.289 -1.769 26649 1131 1 3 . 1 1 57 57 LEU CA C 57 56.187 56.187 54.350 1.837 26649 1132 1 3 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.328 2.712 26649 1133 1 3 . 1 1 57 57 LEU H H 57 9.057 9.057 8.313 0.744 26649 1134 1 3 . 1 1 58 58 THR N N 58 114.373 114.373 111.695 2.678 26649 1135 1 3 . 1 1 58 58 THR HA H 58 4.684 4.684 5.017 -0.333 26649 1136 1 3 . 1 1 58 58 THR CA C 58 59.837 59.837 58.750 1.087 26649 1137 1 3 . 1 1 58 58 THR CB C 58 71.774 71.774 70.213 1.562 26649 1138 1 3 . 1 1 58 58 THR H H 58 8.645 8.645 8.118 0.527 26649 1139 1 3 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.409 -0.293 26649 1140 1 3 . 1 1 59 59 PRO C C 59 176.717 176.717 177.031 -0.314 26649 1141 1 3 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.538 2.791 26649 1142 1 3 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.676 4.720 26649 1143 1 3 . 1 1 60 60 TYR N N 60 113.100 113.100 117.427 -4.327 26649 1144 1 3 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.330 0.103 26649 1145 1 3 . 1 1 60 60 TYR C C 60 175.684 175.684 174.492 1.192 26649 1146 1 3 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.149 -0.095 26649 1147 1 3 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.900 3.445 26649 1148 1 3 . 1 1 60 60 TYR H H 60 7.057 7.057 8.180 -1.123 26649 1149 1 3 . 1 1 61 61 ASP N N 61 118.239 118.239 113.991 4.248 26649 1150 1 3 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.676 0.031 26649 1151 1 3 . 1 1 61 61 ASP C C 61 175.155 175.155 175.860 -0.705 26649 1152 1 3 . 1 1 61 61 ASP CA C 61 57.236 57.236 53.908 3.328 26649 1153 1 3 . 1 1 61 61 ASP CB C 61 45.118 45.118 38.626 6.492 26649 1154 1 3 . 1 1 61 61 ASP H H 61 7.349 7.349 7.937 -0.588 26649 1155 1 3 . 1 1 62 62 LEU N N 62 124.571 124.571 120.328 4.243 26649 1156 1 3 . 1 1 62 62 LEU HA H 62 4.400 4.400 3.970 0.430 26649 1157 1 3 . 1 1 62 62 LEU C C 62 176.534 176.534 178.334 -1.800 26649 1158 1 3 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.496 -0.432 26649 1159 1 3 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.648 3.817 26649 1160 1 3 . 1 1 62 62 LEU H H 62 8.713 8.713 8.630 0.083 26649 1161 1 3 . 1 1 63 63 SER N N 63 113.199 113.199 109.626 3.573 26649 1162 1 3 . 1 1 63 63 SER HA H 63 4.672 4.672 4.215 0.457 26649 1163 1 3 . 1 1 63 63 SER C C 63 174.199 174.199 174.296 -0.097 26649 1164 1 3 . 1 1 63 63 SER CA C 63 60.593 60.593 59.973 0.620 26649 1165 1 3 . 1 1 63 63 SER CB C 63 69.233 69.233 62.721 6.512 26649 1166 1 3 . 1 1 63 63 SER H H 63 8.515 8.515 8.305 0.210 26649 1167 1 3 . 1 1 64 64 LYS N N 64 122.388 122.388 119.308 3.080 26649 1168 1 3 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.142 0.321 26649 1169 1 3 . 1 1 64 64 LYS C C 64 174.870 174.870 175.121 -0.251 26649 1170 1 3 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.585 0.003 26649 1171 1 3 . 1 1 64 64 LYS CB C 64 41.159 41.159 37.244 3.915 26649 1172 1 3 . 1 1 64 64 LYS H H 64 7.646 7.646 7.821 -0.175 26649 1173 1 3 . 1 1 65 65 GLY N N 65 103.185 103.185 108.415 -5.230 26649 1174 1 3 . 1 1 65 65 GLY C C 65 171.434 171.434 172.262 -0.828 26649 1175 1 3 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.328 2.957 26649 1176 1 3 . 1 1 65 65 GLY H H 65 7.803 7.803 8.813 -1.010 26649 1177 1 3 . 1 1 66 66 ARG N N 66 118.652 118.652 117.320 1.332 26649 1178 1 3 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.869 0.097 26649 1179 1 3 . 1 1 66 66 ARG C C 66 175.315 175.315 174.564 0.751 26649 1180 1 3 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.404 0.531 26649 1181 1 3 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.958 3.062 26649 1182 1 3 . 1 1 66 66 ARG H H 66 8.468 8.468 8.220 0.248 26649 1183 1 3 . 1 1 67 67 ILE N N 67 125.685 125.685 121.545 4.140 26649 1184 1 3 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.803 -0.280 26649 1185 1 3 . 1 1 67 67 ILE C C 67 175.888 175.888 175.136 0.752 26649 1186 1 3 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.613 4.365 26649 1187 1 3 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.832 2.841 26649 1188 1 3 . 1 1 67 67 ILE H H 67 9.078 9.078 8.058 1.020 26649 1189 1 3 . 1 1 68 68 THR N N 68 117.575 117.575 118.511 -0.936 26649 1190 1 3 . 1 1 68 68 THR HA H 68 4.485 4.485 4.500 -0.014 26649 1191 1 3 . 1 1 68 68 THR C C 68 174.989 174.989 173.558 1.431 26649 1192 1 3 . 1 1 68 68 THR CA C 68 64.174 64.174 61.553 2.621 26649 1193 1 3 . 1 1 68 68 THR CB C 68 72.920 72.920 69.880 3.040 26649 1194 1 3 . 1 1 68 68 THR H H 68 8.649 8.649 8.416 0.233 26649 1195 1 3 . 1 1 69 69 TYR N N 69 122.143 122.143 121.822 0.321 26649 1196 1 3 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.347 0.244 26649 1197 1 3 . 1 1 69 69 TYR C C 69 172.880 172.880 173.129 -0.249 26649 1198 1 3 . 1 1 69 69 TYR CA C 69 62.804 62.804 59.014 3.790 26649 1199 1 3 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.145 6.265 26649 1200 1 3 . 1 1 69 69 TYR H H 69 7.538 7.538 8.223 -0.685 26649 1201 1 3 . 1 1 70 70 ARG N N 70 126.202 126.202 123.990 2.212 26649 1202 1 3 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.128 -0.512 26649 1203 1 3 . 1 1 70 70 ARG C C 70 173.644 173.644 173.779 -0.135 26649 1204 1 3 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.468 3.404 26649 1205 1 3 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.865 2.521 26649 1206 1 3 . 1 1 70 70 ARG H H 70 7.716 7.716 7.511 0.205 26649 1207 1 3 . 1 1 71 71 ALA N N 71 128.442 128.442 122.916 5.526 26649 1208 1 3 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.672 -0.576 26649 1209 1 3 . 1 1 71 71 ALA C C 71 176.753 176.753 175.435 1.318 26649 1210 1 3 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.943 4.323 26649 1211 1 3 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.685 -0.474 26649 1212 1 3 . 1 1 71 71 ALA H H 71 8.456 8.456 8.725 -0.269 26649 1213 1 4 . 1 1 2 2 SER N N 2 116.344 116.344 115.382 0.962 26649 1214 1 4 . 1 1 2 2 SER HA H 2 4.543 4.543 4.238 0.305 26649 1215 1 4 . 1 1 2 2 SER C C 2 174.500 174.500 173.271 1.229 26649 1216 1 4 . 1 1 2 2 SER CA C 2 61.592 61.592 58.567 3.025 26649 1217 1 4 . 1 1 2 2 SER CB C 2 68.657 68.657 63.228 5.429 26649 1218 1 4 . 1 1 2 2 SER H H 2 8.756 8.756 7.982 0.774 26649 1219 1 4 . 1 1 3 3 LYS N N 3 123.531 123.531 122.869 0.662 26649 1220 1 4 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.353 -0.028 26649 1221 1 4 . 1 1 3 3 LYS C C 3 176.570 176.570 176.160 0.410 26649 1222 1 4 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.163 3.655 26649 1223 1 4 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.044 4.449 26649 1224 1 4 . 1 1 3 3 LYS H H 3 8.582 8.582 8.233 0.349 26649 1225 1 4 . 1 1 4 4 GLU N N 4 121.085 121.085 120.794 0.291 26649 1226 1 4 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.532 -0.190 26649 1227 1 4 . 1 1 4 4 GLU C C 4 176.071 176.071 175.038 1.033 26649 1228 1 4 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.396 3.527 26649 1229 1 4 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.709 3.711 26649 1230 1 4 . 1 1 4 4 GLU H H 4 8.488 8.488 8.424 0.064 26649 1231 1 4 . 1 1 5 5 ASP N N 5 120.965 120.965 120.562 0.403 26649 1232 1 4 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.848 -0.194 26649 1233 1 4 . 1 1 5 5 ASP C C 5 175.760 175.760 174.565 1.195 26649 1234 1 4 . 1 1 5 5 ASP CA C 5 57.262 57.262 53.979 3.283 26649 1235 1 4 . 1 1 5 5 ASP CB C 5 45.605 45.605 42.053 3.552 26649 1236 1 4 . 1 1 5 5 ASP H H 5 8.235 8.235 8.290 -0.055 26649 1237 1 4 . 1 1 6 6 SER N N 6 114.678 114.678 114.467 0.211 26649 1238 1 4 . 1 1 6 6 SER HA H 6 4.783 4.783 4.934 -0.151 26649 1239 1 4 . 1 1 6 6 SER C C 6 173.417 173.417 173.072 0.345 26649 1240 1 4 . 1 1 6 6 SER CA C 6 62.802 62.802 57.362 5.440 26649 1241 1 4 . 1 1 6 6 SER CB C 6 69.115 69.115 65.016 4.099 26649 1242 1 4 . 1 1 6 6 SER H H 6 8.018 8.018 7.811 0.207 26649 1243 1 4 . 1 1 7 7 PHE N N 7 119.686 119.686 119.025 0.661 26649 1244 1 4 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.818 0.043 26649 1245 1 4 . 1 1 7 7 PHE C C 7 173.245 173.245 174.204 -0.959 26649 1246 1 4 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.237 1.185 26649 1247 1 4 . 1 1 7 7 PHE CB C 7 44.730 44.730 44.056 0.674 26649 1248 1 4 . 1 1 7 7 PHE H H 7 8.612 8.612 8.196 0.416 26649 1249 1 4 . 1 1 8 8 GLU N N 8 119.627 119.627 119.882 -0.255 26649 1250 1 4 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.410 -0.015 26649 1251 1 4 . 1 1 8 8 GLU C C 8 176.059 176.059 175.352 0.707 26649 1252 1 4 . 1 1 8 8 GLU CA C 8 56.352 56.352 54.726 1.626 26649 1253 1 4 . 1 1 8 8 GLU CB C 8 37.409 37.409 32.955 4.454 26649 1254 1 4 . 1 1 8 8 GLU H H 8 8.362 8.362 8.672 -0.310 26649 1255 1 4 . 1 1 9 9 MET N N 9 121.547 121.547 121.811 -0.264 26649 1256 1 4 . 1 1 9 9 MET HA H 9 4.796 4.796 4.788 0.008 26649 1257 1 4 . 1 1 9 9 MET C C 9 174.247 174.247 173.718 0.529 26649 1258 1 4 . 1 1 9 9 MET CA C 9 57.733 57.733 55.103 2.630 26649 1259 1 4 . 1 1 9 9 MET CB C 9 42.776 42.776 37.580 5.196 26649 1260 1 4 . 1 1 9 9 MET H H 9 8.895 8.895 9.178 -0.283 26649 1261 1 4 . 1 1 10 10 GLU N N 10 122.112 122.112 122.330 -0.218 26649 1262 1 4 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.429 -0.441 26649 1263 1 4 . 1 1 10 10 GLU C C 10 176.016 176.016 176.484 -0.468 26649 1264 1 4 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.340 1.345 26649 1265 1 4 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.326 4.466 26649 1266 1 4 . 1 1 10 10 GLU H H 10 8.820 8.820 8.591 0.229 26649 1267 1 4 . 1 1 11 11 GLY N N 11 106.766 106.766 109.840 -3.074 26649 1268 1 4 . 1 1 11 11 GLY C C 11 171.420 171.420 172.506 -1.086 26649 1269 1 4 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.114 2.994 26649 1270 1 4 . 1 1 11 11 GLY H H 11 8.771 8.771 8.997 -0.226 26649 1271 1 4 . 1 1 12 12 THR N N 12 116.018 116.018 116.065 -0.047 26649 1272 1 4 . 1 1 12 12 THR HA H 12 5.118 5.118 5.078 0.040 26649 1273 1 4 . 1 1 12 12 THR C C 12 174.240 174.240 173.709 0.531 26649 1274 1 4 . 1 1 12 12 THR CA C 12 64.101 64.101 60.742 3.359 26649 1275 1 4 . 1 1 12 12 THR CB C 12 74.309 74.309 71.496 2.813 26649 1276 1 4 . 1 1 12 12 THR H H 12 8.434 8.434 8.178 0.256 26649 1277 1 4 . 1 1 13 13 VAL N N 13 127.555 127.555 125.194 2.361 26649 1278 1 4 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.442 -0.423 26649 1279 1 4 . 1 1 13 13 VAL C C 13 176.464 176.464 174.296 2.168 26649 1280 1 4 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.803 5.864 26649 1281 1 4 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.677 4.324 26649 1282 1 4 . 1 1 13 13 VAL H H 13 9.177 9.177 8.260 0.917 26649 1283 1 4 . 1 1 14 14 VAL N N 14 124.300 124.300 124.809 -0.509 26649 1284 1 4 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.434 0.225 26649 1285 1 4 . 1 1 14 14 VAL C C 14 175.424 175.424 173.854 1.570 26649 1286 1 4 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.419 2.598 26649 1287 1 4 . 1 1 14 14 VAL CB C 14 37.769 37.769 31.929 5.840 26649 1288 1 4 . 1 1 14 14 VAL H H 14 9.240 9.240 8.613 0.627 26649 1289 1 4 . 1 1 15 15 ASP N N 15 117.873 117.873 123.784 -5.911 26649 1290 1 4 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.658 0.342 26649 1291 1 4 . 1 1 15 15 ASP C C 15 175.239 175.239 174.474 0.765 26649 1292 1 4 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.685 1.800 26649 1293 1 4 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.124 3.074 26649 1294 1 4 . 1 1 15 15 ASP H H 15 7.912 7.912 8.155 -0.243 26649 1295 1 4 . 1 1 16 16 THR N N 16 115.850 115.850 118.607 -2.757 26649 1296 1 4 . 1 1 16 16 THR HA H 16 4.415 4.415 4.679 -0.264 26649 1297 1 4 . 1 1 16 16 THR C C 16 172.752 172.752 173.499 -0.747 26649 1298 1 4 . 1 1 16 16 THR CA C 16 64.002 64.002 61.764 2.238 26649 1299 1 4 . 1 1 16 16 THR CB C 16 73.042 73.042 69.373 3.669 26649 1300 1 4 . 1 1 16 16 THR H H 16 8.666 8.666 8.427 0.239 26649 1301 1 4 . 1 1 17 17 LEU N N 17 124.937 124.937 127.731 -2.794 26649 1302 1 4 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.884 -0.187 26649 1303 1 4 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.602 1.652 26649 1304 1 4 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.450 1.052 26649 1305 1 4 . 1 1 17 17 LEU H H 17 7.894 7.894 8.450 -0.556 26649 1306 1 4 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.595 -0.223 26649 1307 1 4 . 1 1 18 18 PRO C C 18 175.846 175.846 176.068 -0.222 26649 1308 1 4 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.607 2.620 26649 1309 1 4 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.276 4.678 26649 1310 1 4 . 1 1 19 19 ASN N N 19 114.919 114.919 116.317 -1.398 26649 1311 1 4 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.488 -0.143 26649 1312 1 4 . 1 1 19 19 ASN C C 19 175.137 175.137 174.270 0.867 26649 1313 1 4 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.592 3.189 26649 1314 1 4 . 1 1 19 19 ASN CB C 19 41.332 41.332 36.884 4.448 26649 1315 1 4 . 1 1 19 19 ASN H H 19 8.714 8.714 8.715 -0.001 26649 1316 1 4 . 1 1 20 20 THR N N 20 110.616 110.616 107.580 3.036 26649 1317 1 4 . 1 1 20 20 THR HA H 20 3.881 3.881 3.661 0.220 26649 1318 1 4 . 1 1 20 20 THR C C 20 172.384 172.384 172.378 0.006 26649 1319 1 4 . 1 1 20 20 THR CA C 20 65.985 65.985 63.233 2.752 26649 1320 1 4 . 1 1 20 20 THR CB C 20 70.012 70.012 67.345 2.667 26649 1321 1 4 . 1 1 20 20 THR H H 20 8.579 8.579 8.249 0.330 26649 1322 1 4 . 1 1 21 21 MET N N 21 115.910 115.910 117.541 -1.631 26649 1323 1 4 . 1 1 21 21 MET HA H 21 5.074 5.074 4.533 0.541 26649 1324 1 4 . 1 1 21 21 MET C C 21 175.080 175.080 173.327 1.753 26649 1325 1 4 . 1 1 21 21 MET CA C 21 54.347 54.347 53.712 0.635 26649 1326 1 4 . 1 1 21 21 MET CB C 21 38.359 38.359 37.221 1.138 26649 1327 1 4 . 1 1 21 21 MET H H 21 6.314 6.314 6.833 -0.519 26649 1328 1 4 . 1 1 22 22 PHE N N 22 115.989 115.989 117.259 -1.270 26649 1329 1 4 . 1 1 22 22 PHE HA H 22 4.997 4.997 4.990 0.007 26649 1330 1 4 . 1 1 22 22 PHE C C 22 174.953 174.953 173.810 1.143 26649 1331 1 4 . 1 1 22 22 PHE CA C 22 59.491 59.491 56.884 2.607 26649 1332 1 4 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.004 5.212 26649 1333 1 4 . 1 1 22 22 PHE H H 22 8.744 8.744 8.936 -0.192 26649 1334 1 4 . 1 1 23 23 ARG N N 23 122.523 122.523 121.008 1.515 26649 1335 1 4 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.012 0.224 26649 1336 1 4 . 1 1 23 23 ARG C C 23 175.828 175.828 174.276 1.552 26649 1337 1 4 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.250 0.819 26649 1338 1 4 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.208 2.630 26649 1339 1 4 . 1 1 23 23 ARG H H 23 8.661 8.661 8.314 0.347 26649 1340 1 4 . 1 1 24 24 VAL N N 24 126.448 126.448 125.358 1.090 26649 1341 1 4 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.984 -0.300 26649 1342 1 4 . 1 1 24 24 VAL C C 24 173.637 173.637 174.093 -0.456 26649 1343 1 4 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.283 3.488 26649 1344 1 4 . 1 1 24 24 VAL CB C 24 39.529 39.529 35.288 4.241 26649 1345 1 4 . 1 1 24 24 VAL H H 24 9.342 9.342 9.079 0.263 26649 1346 1 4 . 1 1 25 25 GLU N N 25 128.611 128.611 129.272 -0.661 26649 1347 1 4 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.552 0.161 26649 1348 1 4 . 1 1 25 25 GLU C C 25 176.160 176.160 175.715 0.445 26649 1349 1 4 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.912 0.469 26649 1350 1 4 . 1 1 25 25 GLU CB C 25 35.171 35.171 30.925 4.246 26649 1351 1 4 . 1 1 25 25 GLU H H 25 9.125 9.125 9.123 0.002 26649 1352 1 4 . 1 1 26 26 LEU N N 26 129.185 129.185 125.570 3.615 26649 1353 1 4 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.725 0.104 26649 1354 1 4 . 1 1 26 26 LEU C C 26 179.291 179.291 177.261 2.030 26649 1355 1 4 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.902 3.236 26649 1356 1 4 . 1 1 26 26 LEU CB C 26 47.294 47.294 41.915 5.379 26649 1357 1 4 . 1 1 26 26 LEU H H 26 9.305 9.305 8.452 0.853 26649 1358 1 4 . 1 1 27 27 GLU N N 27 119.943 119.943 120.656 -0.713 26649 1359 1 4 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.920 0.218 26649 1360 1 4 . 1 1 27 27 GLU C C 27 175.981 175.981 176.450 -0.469 26649 1361 1 4 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.633 1.712 26649 1362 1 4 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.605 5.418 26649 1363 1 4 . 1 1 27 27 GLU H H 27 8.624 8.624 8.542 0.082 26649 1364 1 4 . 1 1 28 28 ASN N N 28 114.077 114.077 117.045 -2.968 26649 1365 1 4 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.607 0.029 26649 1366 1 4 . 1 1 28 28 ASN C C 28 176.489 176.489 175.238 1.251 26649 1367 1 4 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.533 1.776 26649 1368 1 4 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.410 4.777 26649 1369 1 4 . 1 1 28 28 ASN H H 28 7.268 7.268 8.163 -0.895 26649 1370 1 4 . 1 1 29 29 GLY N N 29 108.202 108.202 104.615 3.587 26649 1371 1 4 . 1 1 29 29 GLY C C 29 174.446 174.446 173.695 0.751 26649 1372 1 4 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.944 2.378 26649 1373 1 4 . 1 1 29 29 GLY H H 29 8.367 8.367 7.907 0.460 26649 1374 1 4 . 1 1 30 30 HIS N N 30 119.105 119.105 120.076 -0.971 26649 1375 1 4 . 1 1 30 30 HIS HA H 30 4.715 4.715 4.977 -0.262 26649 1376 1 4 . 1 1 30 30 HIS C C 30 173.468 173.468 173.263 0.205 26649 1377 1 4 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.889 3.164 26649 1378 1 4 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.253 0.456 26649 1379 1 4 . 1 1 30 30 HIS H H 30 7.954 7.954 8.529 -0.575 26649 1380 1 4 . 1 1 31 31 VAL N N 31 124.046 124.046 122.422 1.624 26649 1381 1 4 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.272 0.779 26649 1382 1 4 . 1 1 31 31 VAL C C 31 176.209 176.209 173.439 2.770 26649 1383 1 4 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.196 2.374 26649 1384 1 4 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.538 0.516 26649 1385 1 4 . 1 1 31 31 VAL H H 31 8.601 8.601 7.759 0.842 26649 1386 1 4 . 1 1 32 32 VAL N N 32 120.179 120.179 125.085 -4.906 26649 1387 1 4 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.365 0.421 26649 1388 1 4 . 1 1 32 32 VAL C C 32 175.124 175.124 174.316 0.808 26649 1389 1 4 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.517 -0.654 26649 1390 1 4 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.077 3.752 26649 1391 1 4 . 1 1 32 32 VAL H H 32 8.966 8.966 8.959 0.007 26649 1392 1 4 . 1 1 33 33 THR N N 33 118.645 118.645 118.506 0.139 26649 1393 1 4 . 1 1 33 33 THR HA H 33 5.061 5.061 5.038 0.023 26649 1394 1 4 . 1 1 33 33 THR C C 33 174.171 174.171 173.107 1.064 26649 1395 1 4 . 1 1 33 33 THR CA C 33 65.278 65.278 61.613 3.665 26649 1396 1 4 . 1 1 33 33 THR CB C 33 72.059 72.059 70.278 1.780 26649 1397 1 4 . 1 1 33 33 THR H H 33 8.235 8.235 8.005 0.230 26649 1398 1 4 . 1 1 34 34 ALA N N 34 129.128 129.128 126.392 2.736 26649 1399 1 4 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.354 0.218 26649 1400 1 4 . 1 1 34 34 ALA C C 34 175.686 175.686 174.742 0.944 26649 1401 1 4 . 1 1 34 34 ALA CA C 34 53.056 53.056 50.591 2.465 26649 1402 1 4 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.855 2.179 26649 1403 1 4 . 1 1 34 34 ALA H H 34 9.777 9.777 9.103 0.674 26649 1404 1 4 . 1 1 35 35 HIS N N 35 116.059 116.059 118.669 -2.610 26649 1405 1 4 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.310 0.201 26649 1406 1 4 . 1 1 35 35 HIS C C 35 174.302 174.302 174.119 0.183 26649 1407 1 4 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.121 1.930 26649 1408 1 4 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.008 3.678 26649 1409 1 4 . 1 1 35 35 HIS H H 35 7.712 7.712 8.666 -0.954 26649 1410 1 4 . 1 1 36 36 ILE N N 36 119.551 119.551 125.326 -5.775 26649 1411 1 4 . 1 1 36 36 ILE HA H 36 4.509 4.509 3.954 0.555 26649 1412 1 4 . 1 1 36 36 ILE C C 36 175.686 175.686 175.368 0.318 26649 1413 1 4 . 1 1 36 36 ILE CA C 36 62.671 62.671 61.422 1.249 26649 1414 1 4 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.175 2.001 26649 1415 1 4 . 1 1 36 36 ILE H H 36 9.509 9.509 8.440 1.069 26649 1416 1 4 . 1 1 37 37 SER N N 37 120.084 120.084 119.295 0.789 26649 1417 1 4 . 1 1 37 37 SER HA H 37 4.543 4.543 4.607 -0.064 26649 1418 1 4 . 1 1 37 37 SER C C 37 175.073 175.073 175.907 -0.834 26649 1419 1 4 . 1 1 37 37 SER CA C 37 61.428 61.428 58.763 2.665 26649 1420 1 4 . 1 1 37 37 SER CB C 37 69.228 69.228 64.232 4.996 26649 1421 1 4 . 1 1 37 37 SER H H 37 8.427 8.427 8.215 0.212 26649 1422 1 4 . 1 1 38 38 GLY N N 38 112.268 112.268 108.201 4.067 26649 1423 1 4 . 1 1 38 38 GLY C C 38 176.124 176.124 175.798 0.326 26649 1424 1 4 . 1 1 38 38 GLY CA C 38 49.294 49.294 45.837 3.458 26649 1425 1 4 . 1 1 38 38 GLY H H 38 9.059 9.059 8.501 0.558 26649 1426 1 4 . 1 1 39 39 LYS N N 39 121.027 121.027 122.039 -1.012 26649 1427 1 4 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.991 0.120 26649 1428 1 4 . 1 1 39 39 LYS C C 39 178.155 178.155 178.029 0.126 26649 1429 1 4 . 1 1 39 39 LYS CA C 39 61.553 61.553 58.926 2.627 26649 1430 1 4 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.203 5.019 26649 1431 1 4 . 1 1 39 39 LYS H H 39 8.346 8.346 8.436 -0.090 26649 1432 1 4 . 1 1 40 40 MET N N 40 118.288 118.288 117.347 0.941 26649 1433 1 4 . 1 1 40 40 MET HA H 40 4.281 4.281 4.300 -0.019 26649 1434 1 4 . 1 1 40 40 MET C C 40 177.179 177.179 178.228 -1.049 26649 1435 1 4 . 1 1 40 40 MET CA C 40 58.000 58.000 58.690 -0.690 26649 1436 1 4 . 1 1 40 40 MET CB C 40 36.025 36.025 32.817 3.208 26649 1437 1 4 . 1 1 40 40 MET H H 40 7.741 7.741 7.623 0.118 26649 1438 1 4 . 1 1 41 41 ARG N N 41 119.988 119.988 120.626 -0.638 26649 1439 1 4 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.225 -0.164 26649 1440 1 4 . 1 1 41 41 ARG C C 41 177.749 177.749 178.255 -0.506 26649 1441 1 4 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.251 0.285 26649 1442 1 4 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.217 1.879 26649 1443 1 4 . 1 1 41 41 ARG H H 41 7.948 7.948 8.431 -0.483 26649 1444 1 4 . 1 1 42 42 LYS N N 42 119.136 119.136 117.393 1.743 26649 1445 1 4 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.190 -0.112 26649 1446 1 4 . 1 1 42 42 LYS C C 42 176.430 176.430 178.169 -1.739 26649 1447 1 4 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.489 0.029 26649 1448 1 4 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.572 4.517 26649 1449 1 4 . 1 1 42 42 LYS H H 42 7.895 7.895 7.732 0.163 26649 1450 1 4 . 1 1 43 43 ASN N N 43 116.823 116.823 115.501 1.322 26649 1451 1 4 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.610 0.056 26649 1452 1 4 . 1 1 43 43 ASN C C 43 174.310 174.310 175.855 -1.545 26649 1453 1 4 . 1 1 43 43 ASN CA C 43 54.942 54.942 54.276 0.666 26649 1454 1 4 . 1 1 43 43 ASN CB C 43 43.371 43.371 39.742 3.629 26649 1455 1 4 . 1 1 43 43 ASN H H 43 7.840 7.840 7.692 0.148 26649 1456 1 4 . 1 1 44 44 TYR N N 44 118.475 118.475 115.530 2.945 26649 1457 1 4 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.220 0.137 26649 1458 1 4 . 1 1 44 44 TYR C C 44 175.072 175.072 174.057 1.015 26649 1459 1 4 . 1 1 44 44 TYR CA C 44 59.757 59.757 59.713 0.044 26649 1460 1 4 . 1 1 44 44 TYR CB C 44 42.222 42.222 36.173 6.048 26649 1461 1 4 . 1 1 44 44 TYR H H 44 7.701 7.701 8.532 -0.831 26649 1462 1 4 . 1 1 45 45 ILE N N 45 123.061 123.061 119.822 3.239 26649 1463 1 4 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.284 -0.372 26649 1464 1 4 . 1 1 45 45 ILE C C 45 174.790 174.790 174.692 0.098 26649 1465 1 4 . 1 1 45 45 ILE CA C 45 62.935 62.935 59.940 2.995 26649 1466 1 4 . 1 1 45 45 ILE CB C 45 40.718 40.718 41.333 -0.615 26649 1467 1 4 . 1 1 45 45 ILE H H 45 7.538 7.538 7.657 -0.119 26649 1468 1 4 . 1 1 46 46 ARG N N 46 125.163 125.163 126.236 -1.073 26649 1469 1 4 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.085 0.103 26649 1470 1 4 . 1 1 46 46 ARG C C 46 174.870 174.870 175.632 -0.762 26649 1471 1 4 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.372 1.117 26649 1472 1 4 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.313 5.334 26649 1473 1 4 . 1 1 46 46 ARG H H 46 8.105 8.105 8.269 -0.164 26649 1474 1 4 . 1 1 47 47 ILE N N 47 126.439 126.439 123.117 3.322 26649 1475 1 4 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.053 -0.079 26649 1476 1 4 . 1 1 47 47 ILE C C 47 173.723 173.723 175.883 -2.160 26649 1477 1 4 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.606 1.606 26649 1478 1 4 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.403 2.890 26649 1479 1 4 . 1 1 47 47 ILE H H 47 8.072 8.072 8.429 -0.357 26649 1480 1 4 . 1 1 48 48 LEU N N 48 127.845 127.845 129.929 -2.084 26649 1481 1 4 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.304 0.417 26649 1482 1 4 . 1 1 48 48 LEU C C 48 177.100 177.100 176.656 0.444 26649 1483 1 4 . 1 1 48 48 LEU CA C 48 55.642 55.642 55.499 0.143 26649 1484 1 4 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.401 5.607 26649 1485 1 4 . 1 1 48 48 LEU H H 48 8.662 8.662 8.197 0.465 26649 1486 1 4 . 1 1 49 49 THR N N 49 115.775 115.775 121.536 -5.761 26649 1487 1 4 . 1 1 49 49 THR HA H 49 3.611 3.611 4.130 -0.519 26649 1488 1 4 . 1 1 49 49 THR C C 49 175.507 175.507 174.853 0.654 26649 1489 1 4 . 1 1 49 49 THR CA C 49 67.651 67.651 64.037 3.614 26649 1490 1 4 . 1 1 49 49 THR CB C 49 71.174 71.174 69.138 2.036 26649 1491 1 4 . 1 1 49 49 THR H H 49 8.281 8.281 7.988 0.293 26649 1492 1 4 . 1 1 50 50 GLY N N 50 116.246 116.246 115.991 0.255 26649 1493 1 4 . 1 1 50 50 GLY C C 50 174.433 174.433 172.738 1.695 26649 1494 1 4 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.896 1.983 26649 1495 1 4 . 1 1 50 50 GLY H H 50 9.211 9.211 8.944 0.267 26649 1496 1 4 . 1 1 51 51 ASP N N 51 121.695 121.695 120.962 0.733 26649 1497 1 4 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.650 -0.075 26649 1498 1 4 . 1 1 51 51 ASP C C 51 175.571 175.571 175.710 -0.139 26649 1499 1 4 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.549 5.902 26649 1500 1 4 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.221 3.248 26649 1501 1 4 . 1 1 51 51 ASP H H 51 8.114 8.114 7.598 0.516 26649 1502 1 4 . 1 1 52 52 LYS N N 52 121.380 121.380 124.369 -2.989 26649 1503 1 4 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.603 0.491 26649 1504 1 4 . 1 1 52 52 LYS C C 52 176.630 176.630 175.845 0.785 26649 1505 1 4 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.072 0.020 26649 1506 1 4 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.473 4.434 26649 1507 1 4 . 1 1 52 52 LYS H H 52 8.504 8.504 8.066 0.438 26649 1508 1 4 . 1 1 53 53 VAL N N 53 115.067 115.067 119.751 -4.684 26649 1509 1 4 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.223 -0.040 26649 1510 1 4 . 1 1 53 53 VAL C C 53 174.865 174.865 174.589 0.276 26649 1511 1 4 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.237 0.805 26649 1512 1 4 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.573 2.950 26649 1513 1 4 . 1 1 53 53 VAL H H 53 8.730 8.730 9.041 -0.311 26649 1514 1 4 . 1 1 54 54 ARG N N 54 118.772 118.772 121.234 -2.462 26649 1515 1 4 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.735 0.159 26649 1516 1 4 . 1 1 54 54 ARG C C 54 175.140 175.140 175.269 -0.129 26649 1517 1 4 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.268 1.368 26649 1518 1 4 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.539 6.004 26649 1519 1 4 . 1 1 54 54 ARG H H 54 8.208 8.208 8.728 -0.520 26649 1520 1 4 . 1 1 55 55 VAL N N 55 121.560 121.560 125.981 -4.421 26649 1521 1 4 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.094 -0.352 26649 1522 1 4 . 1 1 55 55 VAL C C 55 173.816 173.816 174.856 -1.040 26649 1523 1 4 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.534 0.269 26649 1524 1 4 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.815 2.906 26649 1525 1 4 . 1 1 55 55 VAL H H 55 8.961 8.961 9.323 -0.362 26649 1526 1 4 . 1 1 56 56 GLU N N 56 126.127 126.127 126.265 -0.138 26649 1527 1 4 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.266 -0.363 26649 1528 1 4 . 1 1 56 56 GLU C C 56 176.010 176.010 175.397 0.613 26649 1529 1 4 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.139 1.629 26649 1530 1 4 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.633 3.597 26649 1531 1 4 . 1 1 56 56 GLU H H 56 9.296 9.296 8.543 0.753 26649 1532 1 4 . 1 1 57 57 LEU N N 57 129.725 129.725 128.406 1.319 26649 1533 1 4 . 1 1 57 57 LEU HA H 57 4.731 4.731 5.032 -0.301 26649 1534 1 4 . 1 1 57 57 LEU C C 57 175.520 175.520 177.231 -1.711 26649 1535 1 4 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.834 2.353 26649 1536 1 4 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.718 2.321 26649 1537 1 4 . 1 1 57 57 LEU H H 57 9.057 9.057 8.284 0.773 26649 1538 1 4 . 1 1 58 58 THR N N 58 114.373 114.373 114.020 0.353 26649 1539 1 4 . 1 1 58 58 THR HA H 58 4.684 4.684 4.835 -0.151 26649 1540 1 4 . 1 1 58 58 THR CA C 58 59.837 59.837 59.277 0.560 26649 1541 1 4 . 1 1 58 58 THR CB C 58 71.774 71.774 69.588 2.186 26649 1542 1 4 . 1 1 58 58 THR H H 58 8.645 8.645 8.129 0.516 26649 1543 1 4 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.445 -0.329 26649 1544 1 4 . 1 1 59 59 PRO C C 59 176.717 176.717 176.569 0.148 26649 1545 1 4 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.598 2.731 26649 1546 1 4 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.752 4.644 26649 1547 1 4 . 1 1 60 60 TYR N N 60 113.100 113.100 118.368 -5.268 26649 1548 1 4 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.480 -0.047 26649 1549 1 4 . 1 1 60 60 TYR C C 60 175.684 175.684 175.626 0.058 26649 1550 1 4 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.401 -0.347 26649 1551 1 4 . 1 1 60 60 TYR CB C 60 42.345 42.345 39.529 2.816 26649 1552 1 4 . 1 1 60 60 TYR H H 60 7.057 7.057 7.829 -0.772 26649 1553 1 4 . 1 1 61 61 ASP N N 61 118.239 118.239 117.977 0.262 26649 1554 1 4 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.809 -0.102 26649 1555 1 4 . 1 1 61 61 ASP C C 61 175.155 175.155 175.729 -0.574 26649 1556 1 4 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.053 3.183 26649 1557 1 4 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.309 4.809 26649 1558 1 4 . 1 1 61 61 ASP H H 61 7.349 7.349 7.886 -0.537 26649 1559 1 4 . 1 1 62 62 LEU N N 62 124.571 124.571 123.199 1.372 26649 1560 1 4 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.092 0.308 26649 1561 1 4 . 1 1 62 62 LEU C C 62 176.534 176.534 178.683 -2.149 26649 1562 1 4 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.281 -0.217 26649 1563 1 4 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.971 3.495 26649 1564 1 4 . 1 1 62 62 LEU H H 62 8.713 8.713 8.508 0.205 26649 1565 1 4 . 1 1 63 63 SER N N 63 113.199 113.199 112.911 0.288 26649 1566 1 4 . 1 1 63 63 SER HA H 63 4.672 4.672 4.279 0.393 26649 1567 1 4 . 1 1 63 63 SER C C 63 174.199 174.199 174.244 -0.045 26649 1568 1 4 . 1 1 63 63 SER CA C 63 60.593 60.593 60.147 0.446 26649 1569 1 4 . 1 1 63 63 SER CB C 63 69.233 69.233 63.278 5.955 26649 1570 1 4 . 1 1 63 63 SER H H 63 8.515 8.515 7.865 0.650 26649 1571 1 4 . 1 1 64 64 LYS N N 64 122.388 122.388 118.131 4.257 26649 1572 1 4 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.150 0.313 26649 1573 1 4 . 1 1 64 64 LYS C C 64 174.870 174.870 175.119 -0.249 26649 1574 1 4 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.287 0.301 26649 1575 1 4 . 1 1 64 64 LYS CB C 64 41.159 41.159 37.047 4.112 26649 1576 1 4 . 1 1 64 64 LYS H H 64 7.646 7.646 7.906 -0.260 26649 1577 1 4 . 1 1 65 65 GLY N N 65 103.185 103.185 108.733 -5.548 26649 1578 1 4 . 1 1 65 65 GLY C C 65 171.434 171.434 171.826 -0.392 26649 1579 1 4 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.501 2.784 26649 1580 1 4 . 1 1 65 65 GLY H H 65 7.803 7.803 8.566 -0.763 26649 1581 1 4 . 1 1 66 66 ARG N N 66 118.652 118.652 119.096 -0.444 26649 1582 1 4 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.775 0.191 26649 1583 1 4 . 1 1 66 66 ARG C C 66 175.315 175.315 173.928 1.387 26649 1584 1 4 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.730 0.205 26649 1585 1 4 . 1 1 66 66 ARG CB C 66 37.020 37.020 34.092 2.928 26649 1586 1 4 . 1 1 66 66 ARG H H 66 8.468 8.468 8.208 0.260 26649 1587 1 4 . 1 1 67 67 ILE N N 67 125.685 125.685 121.497 4.188 26649 1588 1 4 . 1 1 67 67 ILE HA H 67 4.523 4.523 5.005 -0.482 26649 1589 1 4 . 1 1 67 67 ILE C C 67 175.888 175.888 174.879 1.009 26649 1590 1 4 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.603 4.375 26649 1591 1 4 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.486 3.187 26649 1592 1 4 . 1 1 67 67 ILE H H 67 9.078 9.078 8.096 0.982 26649 1593 1 4 . 1 1 68 68 THR N N 68 117.575 117.575 121.456 -3.881 26649 1594 1 4 . 1 1 68 68 THR HA H 68 4.485 4.485 4.453 0.032 26649 1595 1 4 . 1 1 68 68 THR C C 68 174.989 174.989 172.302 2.687 26649 1596 1 4 . 1 1 68 68 THR CA C 68 64.174 64.174 61.530 2.644 26649 1597 1 4 . 1 1 68 68 THR CB C 68 72.920 72.920 69.804 3.116 26649 1598 1 4 . 1 1 68 68 THR H H 68 8.649 8.649 8.420 0.229 26649 1599 1 4 . 1 1 69 69 TYR N N 69 122.143 122.143 122.277 -0.134 26649 1600 1 4 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.291 0.300 26649 1601 1 4 . 1 1 69 69 TYR C C 69 172.880 172.880 172.722 0.158 26649 1602 1 4 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.462 4.342 26649 1603 1 4 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.492 5.918 26649 1604 1 4 . 1 1 69 69 TYR H H 69 7.538 7.538 8.035 -0.497 26649 1605 1 4 . 1 1 70 70 ARG N N 70 126.202 126.202 122.946 3.256 26649 1606 1 4 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.173 -0.557 26649 1607 1 4 . 1 1 70 70 ARG C C 70 173.644 173.644 173.601 0.043 26649 1608 1 4 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.367 3.504 26649 1609 1 4 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.242 3.144 26649 1610 1 4 . 1 1 70 70 ARG H H 70 7.716 7.716 7.801 -0.085 26649 1611 1 4 . 1 1 71 71 ALA N N 71 128.442 128.442 121.657 6.785 26649 1612 1 4 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.761 -0.665 26649 1613 1 4 . 1 1 71 71 ALA C C 71 176.753 176.753 175.364 1.389 26649 1614 1 4 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.601 4.665 26649 1615 1 4 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.884 -0.673 26649 1616 1 4 . 1 1 71 71 ALA H H 71 8.456 8.456 8.932 -0.476 26649 1617 1 5 . 1 1 2 2 SER N N 2 116.344 116.344 115.732 0.612 26649 1618 1 5 . 1 1 2 2 SER HA H 2 4.543 4.543 4.086 0.457 26649 1619 1 5 . 1 1 2 2 SER C C 2 174.500 174.500 174.674 -0.174 26649 1620 1 5 . 1 1 2 2 SER CA C 2 61.592 61.592 59.221 2.371 26649 1621 1 5 . 1 1 2 2 SER CB C 2 68.657 68.657 62.534 6.123 26649 1622 1 5 . 1 1 2 2 SER H H 2 8.756 8.756 8.710 0.046 26649 1623 1 5 . 1 1 3 3 LYS N N 3 123.531 123.531 124.598 -1.067 26649 1624 1 5 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.085 0.240 26649 1625 1 5 . 1 1 3 3 LYS C C 3 176.570 176.570 176.868 -0.298 26649 1626 1 5 . 1 1 3 3 LYS CA C 3 59.818 59.818 58.362 1.456 26649 1627 1 5 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.142 4.351 26649 1628 1 5 . 1 1 3 3 LYS H H 3 8.582 8.582 8.571 0.011 26649 1629 1 5 . 1 1 4 4 GLU N N 4 121.085 121.085 117.875 3.210 26649 1630 1 5 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.398 -0.056 26649 1631 1 5 . 1 1 4 4 GLU C C 4 176.071 176.071 176.175 -0.104 26649 1632 1 5 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.530 3.393 26649 1633 1 5 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.435 3.985 26649 1634 1 5 . 1 1 4 4 GLU H H 4 8.488 8.488 8.528 -0.040 26649 1635 1 5 . 1 1 5 5 ASP N N 5 120.965 120.965 121.082 -0.117 26649 1636 1 5 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.828 -0.174 26649 1637 1 5 . 1 1 5 5 ASP C C 5 175.760 175.760 175.974 -0.214 26649 1638 1 5 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.064 3.198 26649 1639 1 5 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.229 4.376 26649 1640 1 5 . 1 1 5 5 ASP H H 5 8.235 8.235 8.440 -0.205 26649 1641 1 5 . 1 1 6 6 SER N N 6 114.678 114.678 115.403 -0.725 26649 1642 1 5 . 1 1 6 6 SER HA H 6 4.783 4.783 4.515 0.268 26649 1643 1 5 . 1 1 6 6 SER C C 6 173.417 173.417 173.769 -0.352 26649 1644 1 5 . 1 1 6 6 SER CA C 6 62.802 62.802 58.799 4.003 26649 1645 1 5 . 1 1 6 6 SER CB C 6 69.115 69.115 64.360 4.755 26649 1646 1 5 . 1 1 6 6 SER H H 6 8.018 8.018 7.648 0.370 26649 1647 1 5 . 1 1 7 7 PHE N N 7 119.686 119.686 119.676 0.010 26649 1648 1 5 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.813 0.048 26649 1649 1 5 . 1 1 7 7 PHE C C 7 173.245 173.245 173.309 -0.064 26649 1650 1 5 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.955 0.467 26649 1651 1 5 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.441 1.289 26649 1652 1 5 . 1 1 7 7 PHE H H 7 8.612 8.612 8.066 0.546 26649 1653 1 5 . 1 1 8 8 GLU N N 8 119.627 119.627 126.086 -6.459 26649 1654 1 5 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.396 -0.001 26649 1655 1 5 . 1 1 8 8 GLU C C 8 176.059 176.059 175.532 0.527 26649 1656 1 5 . 1 1 8 8 GLU CA C 8 56.352 56.352 54.276 2.076 26649 1657 1 5 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.788 5.621 26649 1658 1 5 . 1 1 8 8 GLU H H 8 8.362 8.362 8.277 0.085 26649 1659 1 5 . 1 1 9 9 MET N N 9 121.547 121.547 122.223 -0.676 26649 1660 1 5 . 1 1 9 9 MET HA H 9 4.796 4.796 4.712 0.084 26649 1661 1 5 . 1 1 9 9 MET C C 9 174.247 174.247 174.148 0.099 26649 1662 1 5 . 1 1 9 9 MET CA C 9 57.733 57.733 54.672 3.061 26649 1663 1 5 . 1 1 9 9 MET CB C 9 42.776 42.776 36.965 5.811 26649 1664 1 5 . 1 1 9 9 MET H H 9 8.895 8.895 8.846 0.049 26649 1665 1 5 . 1 1 10 10 GLU N N 10 122.112 122.112 124.560 -2.448 26649 1666 1 5 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.056 -0.068 26649 1667 1 5 . 1 1 10 10 GLU C C 10 176.016 176.016 176.739 -0.723 26649 1668 1 5 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.480 0.205 26649 1669 1 5 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.441 5.351 26649 1670 1 5 . 1 1 10 10 GLU H H 10 8.820 8.820 8.667 0.153 26649 1671 1 5 . 1 1 11 11 GLY N N 11 106.766 106.766 109.554 -2.788 26649 1672 1 5 . 1 1 11 11 GLY C C 11 171.420 171.420 172.467 -1.047 26649 1673 1 5 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.127 2.981 26649 1674 1 5 . 1 1 11 11 GLY H H 11 8.771 8.771 8.906 -0.135 26649 1675 1 5 . 1 1 12 12 THR N N 12 116.018 116.018 116.538 -0.520 26649 1676 1 5 . 1 1 12 12 THR HA H 12 5.118 5.118 5.088 0.030 26649 1677 1 5 . 1 1 12 12 THR C C 12 174.240 174.240 173.998 0.242 26649 1678 1 5 . 1 1 12 12 THR CA C 12 64.101 64.101 61.431 2.670 26649 1679 1 5 . 1 1 12 12 THR CB C 12 74.309 74.309 71.381 2.928 26649 1680 1 5 . 1 1 12 12 THR H H 12 8.434 8.434 8.142 0.292 26649 1681 1 5 . 1 1 13 13 VAL N N 13 127.555 127.555 125.450 2.105 26649 1682 1 5 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.410 -0.391 26649 1683 1 5 . 1 1 13 13 VAL C C 13 176.464 176.464 174.232 2.232 26649 1684 1 5 . 1 1 13 13 VAL CA C 13 67.667 67.667 62.008 5.659 26649 1685 1 5 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.041 3.960 26649 1686 1 5 . 1 1 13 13 VAL H H 13 9.177 9.177 8.305 0.872 26649 1687 1 5 . 1 1 14 14 VAL N N 14 124.300 124.300 126.784 -2.484 26649 1688 1 5 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.341 0.318 26649 1689 1 5 . 1 1 14 14 VAL C C 14 175.424 175.424 174.375 1.049 26649 1690 1 5 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.501 2.516 26649 1691 1 5 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.571 5.198 26649 1692 1 5 . 1 1 14 14 VAL H H 14 9.240 9.240 8.134 1.106 26649 1693 1 5 . 1 1 15 15 ASP N N 15 117.873 117.873 123.880 -6.007 26649 1694 1 5 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.710 0.290 26649 1695 1 5 . 1 1 15 15 ASP C C 15 175.239 175.239 174.641 0.598 26649 1696 1 5 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.204 2.281 26649 1697 1 5 . 1 1 15 15 ASP CB C 15 47.198 47.198 42.938 4.260 26649 1698 1 5 . 1 1 15 15 ASP H H 15 7.912 7.912 8.010 -0.098 26649 1699 1 5 . 1 1 16 16 THR N N 16 115.850 115.850 115.971 -0.121 26649 1700 1 5 . 1 1 16 16 THR HA H 16 4.415 4.415 4.827 -0.412 26649 1701 1 5 . 1 1 16 16 THR C C 16 172.752 172.752 173.655 -0.903 26649 1702 1 5 . 1 1 16 16 THR CA C 16 64.002 64.002 61.252 2.750 26649 1703 1 5 . 1 1 16 16 THR CB C 16 73.042 73.042 70.575 2.467 26649 1704 1 5 . 1 1 16 16 THR H H 16 8.666 8.666 8.460 0.206 26649 1705 1 5 . 1 1 17 17 LEU N N 17 124.937 124.937 124.922 0.015 26649 1706 1 5 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.937 -0.240 26649 1707 1 5 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.350 1.904 26649 1708 1 5 . 1 1 17 17 LEU CB C 17 43.502 43.502 43.395 0.106 26649 1709 1 5 . 1 1 17 17 LEU H H 17 7.894 7.894 8.458 -0.564 26649 1710 1 5 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.580 -0.208 26649 1711 1 5 . 1 1 18 18 PRO C C 18 175.846 175.846 176.218 -0.372 26649 1712 1 5 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.439 2.788 26649 1713 1 5 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.353 4.600 26649 1714 1 5 . 1 1 19 19 ASN N N 19 114.919 114.919 118.822 -3.903 26649 1715 1 5 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.376 -0.031 26649 1716 1 5 . 1 1 19 19 ASN C C 19 175.137 175.137 173.976 1.161 26649 1717 1 5 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.260 3.521 26649 1718 1 5 . 1 1 19 19 ASN CB C 19 41.332 41.332 38.061 3.271 26649 1719 1 5 . 1 1 19 19 ASN H H 19 8.714 8.714 8.576 0.138 26649 1720 1 5 . 1 1 20 20 THR N N 20 110.616 110.616 110.908 -0.292 26649 1721 1 5 . 1 1 20 20 THR HA H 20 3.881 3.881 3.850 0.031 26649 1722 1 5 . 1 1 20 20 THR C C 20 172.384 172.384 172.704 -0.320 26649 1723 1 5 . 1 1 20 20 THR CA C 20 65.985 65.985 63.186 2.799 26649 1724 1 5 . 1 1 20 20 THR CB C 20 70.012 70.012 68.167 1.845 26649 1725 1 5 . 1 1 20 20 THR H H 20 8.579 8.579 8.244 0.335 26649 1726 1 5 . 1 1 21 21 MET N N 21 115.910 115.910 118.142 -2.232 26649 1727 1 5 . 1 1 21 21 MET HA H 21 5.074 5.074 4.848 0.226 26649 1728 1 5 . 1 1 21 21 MET C C 21 175.080 175.080 173.751 1.329 26649 1729 1 5 . 1 1 21 21 MET CA C 21 54.347 54.347 54.399 -0.052 26649 1730 1 5 . 1 1 21 21 MET CB C 21 38.359 38.359 37.383 0.976 26649 1731 1 5 . 1 1 21 21 MET H H 21 6.314 6.314 6.914 -0.600 26649 1732 1 5 . 1 1 22 22 PHE N N 22 115.989 115.989 116.911 -0.922 26649 1733 1 5 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.057 -0.060 26649 1734 1 5 . 1 1 22 22 PHE C C 22 174.953 174.953 173.969 0.984 26649 1735 1 5 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.290 2.201 26649 1736 1 5 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.285 4.931 26649 1737 1 5 . 1 1 22 22 PHE H H 22 8.744 8.744 8.939 -0.195 26649 1738 1 5 . 1 1 23 23 ARG N N 23 122.523 122.523 121.746 0.777 26649 1739 1 5 . 1 1 23 23 ARG HA H 23 5.236 5.236 4.895 0.341 26649 1740 1 5 . 1 1 23 23 ARG C C 23 175.828 175.828 174.985 0.843 26649 1741 1 5 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.633 0.436 26649 1742 1 5 . 1 1 23 23 ARG CB C 23 35.838 35.838 32.131 3.707 26649 1743 1 5 . 1 1 23 23 ARG H H 23 8.661 8.661 8.212 0.449 26649 1744 1 5 . 1 1 24 24 VAL N N 24 126.448 126.448 126.210 0.238 26649 1745 1 5 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.911 -0.227 26649 1746 1 5 . 1 1 24 24 VAL C C 24 173.637 173.637 174.844 -1.207 26649 1747 1 5 . 1 1 24 24 VAL CA C 24 62.771 62.771 61.245 1.526 26649 1748 1 5 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.359 5.170 26649 1749 1 5 . 1 1 24 24 VAL H H 24 9.342 9.342 9.268 0.074 26649 1750 1 5 . 1 1 25 25 GLU N N 25 128.611 128.611 127.259 1.352 26649 1751 1 5 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.699 0.014 26649 1752 1 5 . 1 1 25 25 GLU C C 25 176.160 176.160 175.522 0.638 26649 1753 1 5 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.664 0.716 26649 1754 1 5 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.347 3.824 26649 1755 1 5 . 1 1 25 25 GLU H H 25 9.125 9.125 9.014 0.111 26649 1756 1 5 . 1 1 26 26 LEU N N 26 129.185 129.185 125.492 3.693 26649 1757 1 5 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.773 0.056 26649 1758 1 5 . 1 1 26 26 LEU C C 26 179.291 179.291 177.555 1.736 26649 1759 1 5 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.054 3.084 26649 1760 1 5 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.084 5.210 26649 1761 1 5 . 1 1 26 26 LEU H H 26 9.305 9.305 8.889 0.416 26649 1762 1 5 . 1 1 27 27 GLU N N 27 119.943 119.943 121.319 -1.376 26649 1763 1 5 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.914 0.224 26649 1764 1 5 . 1 1 27 27 GLU C C 27 175.981 175.981 177.183 -1.202 26649 1765 1 5 . 1 1 27 27 GLU CA C 27 60.345 60.345 59.011 1.334 26649 1766 1 5 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.241 4.781 26649 1767 1 5 . 1 1 27 27 GLU H H 27 8.624 8.624 8.449 0.175 26649 1768 1 5 . 1 1 28 28 ASN N N 28 114.077 114.077 115.502 -1.425 26649 1769 1 5 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.612 0.024 26649 1770 1 5 . 1 1 28 28 ASN C C 28 176.489 176.489 175.181 1.308 26649 1771 1 5 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.474 1.835 26649 1772 1 5 . 1 1 28 28 ASN CB C 28 42.187 42.187 38.224 3.963 26649 1773 1 5 . 1 1 28 28 ASN H H 28 7.268 7.268 8.105 -0.837 26649 1774 1 5 . 1 1 29 29 GLY N N 29 108.202 108.202 105.540 2.662 26649 1775 1 5 . 1 1 29 29 GLY C C 29 174.446 174.446 173.714 0.732 26649 1776 1 5 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.669 2.653 26649 1777 1 5 . 1 1 29 29 GLY H H 29 8.367 8.367 7.772 0.595 26649 1778 1 5 . 1 1 30 30 HIS N N 30 119.105 119.105 119.870 -0.765 26649 1779 1 5 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.019 -0.304 26649 1780 1 5 . 1 1 30 30 HIS C C 30 173.468 173.468 173.501 -0.033 26649 1781 1 5 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.744 3.309 26649 1782 1 5 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.393 0.316 26649 1783 1 5 . 1 1 30 30 HIS H H 30 7.954 7.954 8.685 -0.731 26649 1784 1 5 . 1 1 31 31 VAL N N 31 124.046 124.046 121.546 2.500 26649 1785 1 5 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.493 0.558 26649 1786 1 5 . 1 1 31 31 VAL C C 31 176.209 176.209 174.357 1.852 26649 1787 1 5 . 1 1 31 31 VAL CA C 31 62.570 62.570 61.370 1.200 26649 1788 1 5 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.960 0.094 26649 1789 1 5 . 1 1 31 31 VAL H H 31 8.601 8.601 8.631 -0.030 26649 1790 1 5 . 1 1 32 32 VAL N N 32 120.179 120.179 122.916 -2.737 26649 1791 1 5 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.583 0.203 26649 1792 1 5 . 1 1 32 32 VAL C C 32 175.124 175.124 174.318 0.806 26649 1793 1 5 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.472 -0.609 26649 1794 1 5 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.063 3.766 26649 1795 1 5 . 1 1 32 32 VAL H H 32 8.966 8.966 9.309 -0.343 26649 1796 1 5 . 1 1 33 33 THR N N 33 118.645 118.645 118.969 -0.324 26649 1797 1 5 . 1 1 33 33 THR HA H 33 5.061 5.061 5.059 0.002 26649 1798 1 5 . 1 1 33 33 THR C C 33 174.171 174.171 173.274 0.897 26649 1799 1 5 . 1 1 33 33 THR CA C 33 65.278 65.278 62.090 3.188 26649 1800 1 5 . 1 1 33 33 THR CB C 33 72.059 72.059 69.562 2.497 26649 1801 1 5 . 1 1 33 33 THR H H 33 8.235 8.235 8.209 0.026 26649 1802 1 5 . 1 1 34 34 ALA N N 34 129.128 129.128 129.352 -0.224 26649 1803 1 5 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.372 0.200 26649 1804 1 5 . 1 1 34 34 ALA C C 34 175.686 175.686 175.007 0.679 26649 1805 1 5 . 1 1 34 34 ALA CA C 34 53.056 53.056 48.961 4.095 26649 1806 1 5 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.300 2.734 26649 1807 1 5 . 1 1 34 34 ALA H H 34 9.777 9.777 8.884 0.893 26649 1808 1 5 . 1 1 35 35 HIS N N 35 116.059 116.059 114.392 1.667 26649 1809 1 5 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.010 0.501 26649 1810 1 5 . 1 1 35 35 HIS C C 35 174.302 174.302 173.001 1.301 26649 1811 1 5 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.846 2.205 26649 1812 1 5 . 1 1 35 35 HIS CB C 35 36.686 36.686 32.807 3.879 26649 1813 1 5 . 1 1 35 35 HIS H H 35 7.712 7.712 7.858 -0.146 26649 1814 1 5 . 1 1 36 36 ILE N N 36 119.551 119.551 121.817 -2.266 26649 1815 1 5 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.251 0.258 26649 1816 1 5 . 1 1 36 36 ILE C C 36 175.686 175.686 175.552 0.134 26649 1817 1 5 . 1 1 36 36 ILE CA C 36 62.671 62.671 61.434 1.237 26649 1818 1 5 . 1 1 36 36 ILE CB C 36 41.175 41.175 38.889 2.286 26649 1819 1 5 . 1 1 36 36 ILE H H 36 9.509 9.509 8.759 0.750 26649 1820 1 5 . 1 1 37 37 SER N N 37 120.084 120.084 124.262 -4.178 26649 1821 1 5 . 1 1 37 37 SER HA H 37 4.543 4.543 4.601 -0.058 26649 1822 1 5 . 1 1 37 37 SER C C 37 175.073 175.073 176.446 -1.373 26649 1823 1 5 . 1 1 37 37 SER CA C 37 61.428 61.428 58.760 2.668 26649 1824 1 5 . 1 1 37 37 SER CB C 37 69.228 69.228 64.071 5.157 26649 1825 1 5 . 1 1 37 37 SER H H 37 8.427 8.427 8.554 -0.127 26649 1826 1 5 . 1 1 38 38 GLY N N 38 112.268 112.268 107.813 4.455 26649 1827 1 5 . 1 1 38 38 GLY C C 38 176.124 176.124 176.027 0.097 26649 1828 1 5 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.939 2.355 26649 1829 1 5 . 1 1 38 38 GLY H H 38 9.059 9.059 8.859 0.200 26649 1830 1 5 . 1 1 39 39 LYS N N 39 121.027 121.027 120.859 0.168 26649 1831 1 5 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.900 0.211 26649 1832 1 5 . 1 1 39 39 LYS C C 39 178.155 178.155 178.032 0.123 26649 1833 1 5 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.071 2.482 26649 1834 1 5 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.128 5.094 26649 1835 1 5 . 1 1 39 39 LYS H H 39 8.346 8.346 7.710 0.636 26649 1836 1 5 . 1 1 40 40 MET N N 40 118.288 118.288 116.598 1.690 26649 1837 1 5 . 1 1 40 40 MET HA H 40 4.281 4.281 4.519 -0.238 26649 1838 1 5 . 1 1 40 40 MET C C 40 177.179 177.179 178.223 -1.044 26649 1839 1 5 . 1 1 40 40 MET CA C 40 58.000 58.000 58.698 -0.698 26649 1840 1 5 . 1 1 40 40 MET CB C 40 36.025 36.025 32.275 3.750 26649 1841 1 5 . 1 1 40 40 MET H H 40 7.741 7.741 8.459 -0.718 26649 1842 1 5 . 1 1 41 41 ARG N N 41 119.988 119.988 119.463 0.525 26649 1843 1 5 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.024 0.037 26649 1844 1 5 . 1 1 41 41 ARG C C 41 177.749 177.749 178.438 -0.689 26649 1845 1 5 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.773 0.763 26649 1846 1 5 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.034 2.062 26649 1847 1 5 . 1 1 41 41 ARG H H 41 7.948 7.948 8.302 -0.354 26649 1848 1 5 . 1 1 42 42 LYS N N 42 119.136 119.136 117.245 1.891 26649 1849 1 5 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.325 -0.247 26649 1850 1 5 . 1 1 42 42 LYS C C 42 176.430 176.430 177.726 -1.296 26649 1851 1 5 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.102 0.416 26649 1852 1 5 . 1 1 42 42 LYS CB C 42 37.089 37.089 33.523 3.567 26649 1853 1 5 . 1 1 42 42 LYS H H 42 7.895 7.895 7.515 0.380 26649 1854 1 5 . 1 1 43 43 ASN N N 43 116.823 116.823 116.885 -0.062 26649 1855 1 5 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.878 -0.212 26649 1856 1 5 . 1 1 43 43 ASN C C 43 174.310 174.310 174.170 0.140 26649 1857 1 5 . 1 1 43 43 ASN CA C 43 54.942 54.942 52.669 2.273 26649 1858 1 5 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.619 4.752 26649 1859 1 5 . 1 1 43 43 ASN H H 43 7.840 7.840 8.408 -0.568 26649 1860 1 5 . 1 1 44 44 TYR N N 44 118.475 118.475 117.107 1.368 26649 1861 1 5 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.056 0.301 26649 1862 1 5 . 1 1 44 44 TYR C C 44 175.072 175.072 174.903 0.169 26649 1863 1 5 . 1 1 44 44 TYR CA C 44 59.757 59.757 60.184 -0.427 26649 1864 1 5 . 1 1 44 44 TYR CB C 44 42.222 42.222 38.621 3.601 26649 1865 1 5 . 1 1 44 44 TYR H H 44 7.701 7.701 7.899 -0.198 26649 1866 1 5 . 1 1 45 45 ILE N N 45 123.061 123.061 123.016 0.045 26649 1867 1 5 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.136 -0.224 26649 1868 1 5 . 1 1 45 45 ILE C C 45 174.790 174.790 174.954 -0.164 26649 1869 1 5 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.065 0.870 26649 1870 1 5 . 1 1 45 45 ILE CB C 45 40.718 40.718 36.474 4.244 26649 1871 1 5 . 1 1 45 45 ILE H H 45 7.538 7.538 8.111 -0.573 26649 1872 1 5 . 1 1 46 46 ARG N N 46 125.163 125.163 127.323 -2.160 26649 1873 1 5 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.652 -0.465 26649 1874 1 5 . 1 1 46 46 ARG C C 46 174.870 174.870 174.455 0.415 26649 1875 1 5 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.452 2.037 26649 1876 1 5 . 1 1 46 46 ARG CB C 46 35.647 35.647 31.595 4.053 26649 1877 1 5 . 1 1 46 46 ARG H H 46 8.105 8.105 8.014 0.091 26649 1878 1 5 . 1 1 47 47 ILE N N 47 126.439 126.439 124.187 2.252 26649 1879 1 5 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.307 -0.333 26649 1880 1 5 . 1 1 47 47 ILE C C 47 173.723 173.723 174.660 -0.937 26649 1881 1 5 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.485 1.727 26649 1882 1 5 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.936 2.357 26649 1883 1 5 . 1 1 47 47 ILE H H 47 8.072 8.072 8.383 -0.311 26649 1884 1 5 . 1 1 48 48 LEU N N 48 127.845 127.845 127.170 0.675 26649 1885 1 5 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.590 0.131 26649 1886 1 5 . 1 1 48 48 LEU C C 48 177.100 177.100 176.545 0.555 26649 1887 1 5 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.451 1.191 26649 1888 1 5 . 1 1 48 48 LEU CB C 48 48.008 48.008 43.238 4.770 26649 1889 1 5 . 1 1 48 48 LEU H H 48 8.662 8.662 8.349 0.313 26649 1890 1 5 . 1 1 49 49 THR N N 49 115.775 115.775 119.026 -3.251 26649 1891 1 5 . 1 1 49 49 THR HA H 49 3.611 3.611 4.299 -0.688 26649 1892 1 5 . 1 1 49 49 THR C C 49 175.507 175.507 174.772 0.735 26649 1893 1 5 . 1 1 49 49 THR CA C 49 67.651 67.651 62.791 4.859 26649 1894 1 5 . 1 1 49 49 THR CB C 49 71.174 71.174 69.348 1.826 26649 1895 1 5 . 1 1 49 49 THR H H 49 8.281 8.281 8.128 0.153 26649 1896 1 5 . 1 1 50 50 GLY N N 50 116.246 116.246 116.760 -0.514 26649 1897 1 5 . 1 1 50 50 GLY C C 50 174.433 174.433 172.911 1.522 26649 1898 1 5 . 1 1 50 50 GLY CA C 50 46.879 46.879 45.005 1.874 26649 1899 1 5 . 1 1 50 50 GLY H H 50 9.211 9.211 8.960 0.251 26649 1900 1 5 . 1 1 51 51 ASP N N 51 121.695 121.695 121.641 0.054 26649 1901 1 5 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.685 -0.110 26649 1902 1 5 . 1 1 51 51 ASP C C 51 175.571 175.571 175.503 0.068 26649 1903 1 5 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.960 5.491 26649 1904 1 5 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.094 2.375 26649 1905 1 5 . 1 1 51 51 ASP H H 51 8.114 8.114 7.674 0.440 26649 1906 1 5 . 1 1 52 52 LYS N N 52 121.380 121.380 128.595 -7.215 26649 1907 1 5 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.535 0.559 26649 1908 1 5 . 1 1 52 52 LYS C C 52 176.630 176.630 175.166 1.464 26649 1909 1 5 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.812 0.280 26649 1910 1 5 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.594 4.313 26649 1911 1 5 . 1 1 52 52 LYS H H 52 8.504 8.504 8.032 0.472 26649 1912 1 5 . 1 1 53 53 VAL N N 53 115.067 115.067 120.549 -5.482 26649 1913 1 5 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.341 -0.158 26649 1914 1 5 . 1 1 53 53 VAL C C 53 174.865 174.865 174.439 0.426 26649 1915 1 5 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.634 0.408 26649 1916 1 5 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.824 2.699 26649 1917 1 5 . 1 1 53 53 VAL H H 53 8.730 8.730 9.214 -0.484 26649 1918 1 5 . 1 1 54 54 ARG N N 54 118.772 118.772 119.659 -0.887 26649 1919 1 5 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.609 0.285 26649 1920 1 5 . 1 1 54 54 ARG C C 54 175.140 175.140 175.249 -0.109 26649 1921 1 5 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.134 1.502 26649 1922 1 5 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.452 6.091 26649 1923 1 5 . 1 1 54 54 ARG H H 54 8.208 8.208 8.382 -0.174 26649 1924 1 5 . 1 1 55 55 VAL N N 55 121.560 121.560 125.385 -3.825 26649 1925 1 5 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.794 -0.052 26649 1926 1 5 . 1 1 55 55 VAL C C 55 173.816 173.816 175.017 -1.201 26649 1927 1 5 . 1 1 55 55 VAL CA C 55 60.803 60.803 61.007 -0.204 26649 1928 1 5 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.381 3.340 26649 1929 1 5 . 1 1 55 55 VAL H H 55 8.961 8.961 8.773 0.188 26649 1930 1 5 . 1 1 56 56 GLU N N 56 126.127 126.127 128.428 -2.301 26649 1931 1 5 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.124 -0.221 26649 1932 1 5 . 1 1 56 56 GLU C C 56 176.010 176.010 175.441 0.569 26649 1933 1 5 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.519 1.248 26649 1934 1 5 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.209 4.021 26649 1935 1 5 . 1 1 56 56 GLU H H 56 9.296 9.296 8.386 0.910 26649 1936 1 5 . 1 1 57 57 LEU N N 57 129.725 129.725 128.793 0.932 26649 1937 1 5 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.886 -0.155 26649 1938 1 5 . 1 1 57 57 LEU C C 57 175.520 175.520 177.232 -1.712 26649 1939 1 5 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.962 2.225 26649 1940 1 5 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.569 2.471 26649 1941 1 5 . 1 1 57 57 LEU H H 57 9.057 9.057 9.361 -0.304 26649 1942 1 5 . 1 1 58 58 THR N N 58 114.373 114.373 113.794 0.579 26649 1943 1 5 . 1 1 58 58 THR HA H 58 4.684 4.684 4.811 -0.127 26649 1944 1 5 . 1 1 58 58 THR CA C 58 59.837 59.837 59.212 0.626 26649 1945 1 5 . 1 1 58 58 THR CB C 58 71.774 71.774 69.463 2.311 26649 1946 1 5 . 1 1 58 58 THR H H 58 8.645 8.645 8.060 0.585 26649 1947 1 5 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.330 -0.214 26649 1948 1 5 . 1 1 59 59 PRO C C 59 176.717 176.717 176.868 -0.151 26649 1949 1 5 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.525 2.804 26649 1950 1 5 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.498 4.898 26649 1951 1 5 . 1 1 60 60 TYR N N 60 113.100 113.100 118.864 -5.764 26649 1952 1 5 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.418 0.015 26649 1953 1 5 . 1 1 60 60 TYR C C 60 175.684 175.684 175.294 0.390 26649 1954 1 5 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.374 -0.320 26649 1955 1 5 . 1 1 60 60 TYR CB C 60 42.345 42.345 39.534 2.811 26649 1956 1 5 . 1 1 60 60 TYR H H 60 7.057 7.057 7.825 -0.768 26649 1957 1 5 . 1 1 61 61 ASP N N 61 118.239 118.239 116.805 1.434 26649 1958 1 5 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.632 0.075 26649 1959 1 5 . 1 1 61 61 ASP C C 61 175.155 175.155 175.429 -0.274 26649 1960 1 5 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.143 3.093 26649 1961 1 5 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.947 4.171 26649 1962 1 5 . 1 1 61 61 ASP H H 61 7.349 7.349 7.687 -0.338 26649 1963 1 5 . 1 1 62 62 LEU N N 62 124.571 124.571 123.672 0.899 26649 1964 1 5 . 1 1 62 62 LEU HA H 62 4.400 4.400 3.971 0.429 26649 1965 1 5 . 1 1 62 62 LEU C C 62 176.534 176.534 178.431 -1.897 26649 1966 1 5 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.354 -0.290 26649 1967 1 5 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.924 3.542 26649 1968 1 5 . 1 1 62 62 LEU H H 62 8.713 8.713 8.641 0.072 26649 1969 1 5 . 1 1 63 63 SER N N 63 113.199 113.199 111.634 1.565 26649 1970 1 5 . 1 1 63 63 SER HA H 63 4.672 4.672 4.132 0.540 26649 1971 1 5 . 1 1 63 63 SER C C 63 174.199 174.199 173.978 0.221 26649 1972 1 5 . 1 1 63 63 SER CA C 63 60.593 60.593 60.873 -0.280 26649 1973 1 5 . 1 1 63 63 SER CB C 63 69.233 69.233 63.195 6.038 26649 1974 1 5 . 1 1 63 63 SER H H 63 8.515 8.515 7.700 0.815 26649 1975 1 5 . 1 1 64 64 LYS N N 64 122.388 122.388 118.500 3.888 26649 1976 1 5 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.172 0.291 26649 1977 1 5 . 1 1 64 64 LYS C C 64 174.870 174.870 175.486 -0.616 26649 1978 1 5 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.665 0.923 26649 1979 1 5 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.193 4.966 26649 1980 1 5 . 1 1 64 64 LYS H H 64 7.646 7.646 7.915 -0.269 26649 1981 1 5 . 1 1 65 65 GLY N N 65 103.185 103.185 108.620 -5.435 26649 1982 1 5 . 1 1 65 65 GLY C C 65 171.434 171.434 172.155 -0.721 26649 1983 1 5 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.443 2.842 26649 1984 1 5 . 1 1 65 65 GLY H H 65 7.803 7.803 8.358 -0.555 26649 1985 1 5 . 1 1 66 66 ARG N N 66 118.652 118.652 117.180 1.472 26649 1986 1 5 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.402 0.564 26649 1987 1 5 . 1 1 66 66 ARG C C 66 175.315 175.315 174.257 1.058 26649 1988 1 5 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.075 0.861 26649 1989 1 5 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.624 3.396 26649 1990 1 5 . 1 1 66 66 ARG H H 66 8.468 8.468 8.168 0.300 26649 1991 1 5 . 1 1 67 67 ILE N N 67 125.685 125.685 119.613 6.072 26649 1992 1 5 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.750 -0.227 26649 1993 1 5 . 1 1 67 67 ILE C C 67 175.888 175.888 175.172 0.716 26649 1994 1 5 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.627 4.351 26649 1995 1 5 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.584 3.089 26649 1996 1 5 . 1 1 67 67 ILE H H 67 9.078 9.078 7.763 1.315 26649 1997 1 5 . 1 1 68 68 THR N N 68 117.575 117.575 120.722 -3.147 26649 1998 1 5 . 1 1 68 68 THR HA H 68 4.485 4.485 4.508 -0.023 26649 1999 1 5 . 1 1 68 68 THR C C 68 174.989 174.989 172.841 2.148 26649 2000 1 5 . 1 1 68 68 THR CA C 68 64.174 64.174 61.628 2.546 26649 2001 1 5 . 1 1 68 68 THR CB C 68 72.920 72.920 69.391 3.529 26649 2002 1 5 . 1 1 68 68 THR H H 68 8.649 8.649 8.373 0.276 26649 2003 1 5 . 1 1 69 69 TYR N N 69 122.143 122.143 124.323 -2.180 26649 2004 1 5 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.307 0.284 26649 2005 1 5 . 1 1 69 69 TYR C C 69 172.880 172.880 172.923 -0.043 26649 2006 1 5 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.376 4.428 26649 2007 1 5 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.221 6.189 26649 2008 1 5 . 1 1 69 69 TYR H H 69 7.538 7.538 7.976 -0.438 26649 2009 1 5 . 1 1 70 70 ARG N N 70 126.202 126.202 124.204 1.998 26649 2010 1 5 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.522 -0.906 26649 2011 1 5 . 1 1 70 70 ARG C C 70 173.644 173.644 173.655 -0.011 26649 2012 1 5 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.174 3.697 26649 2013 1 5 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.370 2.016 26649 2014 1 5 . 1 1 70 70 ARG H H 70 7.716 7.716 7.757 -0.041 26649 2015 1 5 . 1 1 71 71 ALA N N 71 128.442 128.442 124.198 4.244 26649 2016 1 5 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.735 -0.639 26649 2017 1 5 . 1 1 71 71 ALA C C 71 176.753 176.753 175.178 1.575 26649 2018 1 5 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.841 4.425 26649 2019 1 5 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.397 -1.186 26649 2020 1 5 . 1 1 71 71 ALA H H 71 8.456 8.456 9.061 -0.605 26649 2021 1 6 . 1 1 2 2 SER N N 2 116.344 116.344 118.924 -2.580 26649 2022 1 6 . 1 1 2 2 SER HA H 2 4.543 4.543 4.389 0.154 26649 2023 1 6 . 1 1 2 2 SER C C 2 174.500 174.500 174.377 0.123 26649 2024 1 6 . 1 1 2 2 SER CA C 2 61.592 61.592 59.547 2.045 26649 2025 1 6 . 1 1 2 2 SER CB C 2 68.657 68.657 63.318 5.339 26649 2026 1 6 . 1 1 2 2 SER H H 2 8.756 8.756 8.204 0.552 26649 2027 1 6 . 1 1 3 3 LYS N N 3 123.531 123.531 120.903 2.628 26649 2028 1 6 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.278 0.047 26649 2029 1 6 . 1 1 3 3 LYS C C 3 176.570 176.570 175.814 0.756 26649 2030 1 6 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.500 3.318 26649 2031 1 6 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.761 4.732 26649 2032 1 6 . 1 1 3 3 LYS H H 3 8.582 8.582 7.518 1.064 26649 2033 1 6 . 1 1 4 4 GLU N N 4 121.085 121.085 123.418 -2.333 26649 2034 1 6 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.367 -0.025 26649 2035 1 6 . 1 1 4 4 GLU C C 4 176.071 176.071 174.678 1.393 26649 2036 1 6 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.846 3.077 26649 2037 1 6 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.222 4.198 26649 2038 1 6 . 1 1 4 4 GLU H H 4 8.488 8.488 8.380 0.108 26649 2039 1 6 . 1 1 5 5 ASP N N 5 120.965 120.965 124.888 -3.923 26649 2040 1 6 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.569 0.085 26649 2041 1 6 . 1 1 5 5 ASP C C 5 175.760 175.760 175.237 0.523 26649 2042 1 6 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.483 2.779 26649 2043 1 6 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.377 4.228 26649 2044 1 6 . 1 1 5 5 ASP H H 5 8.235 8.235 8.393 -0.158 26649 2045 1 6 . 1 1 6 6 SER N N 6 114.678 114.678 112.314 2.364 26649 2046 1 6 . 1 1 6 6 SER HA H 6 4.783 4.783 4.648 0.135 26649 2047 1 6 . 1 1 6 6 SER C C 6 173.417 173.417 172.415 1.002 26649 2048 1 6 . 1 1 6 6 SER CA C 6 62.802 62.802 57.418 5.384 26649 2049 1 6 . 1 1 6 6 SER CB C 6 69.115 69.115 65.403 3.712 26649 2050 1 6 . 1 1 6 6 SER H H 6 8.018 8.018 7.298 0.720 26649 2051 1 6 . 1 1 7 7 PHE N N 7 119.686 119.686 120.760 -1.074 26649 2052 1 6 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.855 0.006 26649 2053 1 6 . 1 1 7 7 PHE C C 7 173.245 173.245 174.498 -1.253 26649 2054 1 6 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.539 0.883 26649 2055 1 6 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.864 1.866 26649 2056 1 6 . 1 1 7 7 PHE H H 7 8.612 8.612 8.353 0.259 26649 2057 1 6 . 1 1 8 8 GLU N N 8 119.627 119.627 123.699 -4.072 26649 2058 1 6 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.238 0.157 26649 2059 1 6 . 1 1 8 8 GLU C C 8 176.059 176.059 175.779 0.280 26649 2060 1 6 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.208 1.144 26649 2061 1 6 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.603 5.806 26649 2062 1 6 . 1 1 8 8 GLU H H 8 8.362 8.362 8.700 -0.338 26649 2063 1 6 . 1 1 9 9 MET N N 9 121.547 121.547 122.629 -1.082 26649 2064 1 6 . 1 1 9 9 MET HA H 9 4.796 4.796 4.675 0.121 26649 2065 1 6 . 1 1 9 9 MET C C 9 174.247 174.247 174.227 0.020 26649 2066 1 6 . 1 1 9 9 MET CA C 9 57.733 57.733 55.327 2.406 26649 2067 1 6 . 1 1 9 9 MET CB C 9 42.776 42.776 36.768 6.008 26649 2068 1 6 . 1 1 9 9 MET H H 9 8.895 8.895 9.039 -0.144 26649 2069 1 6 . 1 1 10 10 GLU N N 10 122.112 122.112 125.101 -2.989 26649 2070 1 6 . 1 1 10 10 GLU HA H 10 4.988 4.988 4.943 0.045 26649 2071 1 6 . 1 1 10 10 GLU C C 10 176.016 176.016 176.152 -0.136 26649 2072 1 6 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.941 -0.256 26649 2073 1 6 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.050 4.742 26649 2074 1 6 . 1 1 10 10 GLU H H 10 8.820 8.820 8.657 0.163 26649 2075 1 6 . 1 1 11 11 GLY N N 11 106.766 106.766 110.974 -4.208 26649 2076 1 6 . 1 1 11 11 GLY C C 11 171.420 171.420 172.651 -1.231 26649 2077 1 6 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.043 3.065 26649 2078 1 6 . 1 1 11 11 GLY H H 11 8.771 8.771 8.932 -0.161 26649 2079 1 6 . 1 1 12 12 THR N N 12 116.018 116.018 116.669 -0.651 26649 2080 1 6 . 1 1 12 12 THR HA H 12 5.118 5.118 4.930 0.188 26649 2081 1 6 . 1 1 12 12 THR C C 12 174.240 174.240 173.642 0.598 26649 2082 1 6 . 1 1 12 12 THR CA C 12 64.101 64.101 61.599 2.502 26649 2083 1 6 . 1 1 12 12 THR CB C 12 74.309 74.309 70.913 3.396 26649 2084 1 6 . 1 1 12 12 THR H H 12 8.434 8.434 8.056 0.378 26649 2085 1 6 . 1 1 13 13 VAL N N 13 127.555 127.555 125.794 1.761 26649 2086 1 6 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.488 -0.469 26649 2087 1 6 . 1 1 13 13 VAL C C 13 176.464 176.464 174.592 1.872 26649 2088 1 6 . 1 1 13 13 VAL CA C 13 67.667 67.667 62.145 5.522 26649 2089 1 6 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.974 4.027 26649 2090 1 6 . 1 1 13 13 VAL H H 13 9.177 9.177 8.222 0.955 26649 2091 1 6 . 1 1 14 14 VAL N N 14 124.300 124.300 123.650 0.650 26649 2092 1 6 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.569 0.090 26649 2093 1 6 . 1 1 14 14 VAL C C 14 175.424 175.424 174.278 1.146 26649 2094 1 6 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.245 2.772 26649 2095 1 6 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.666 5.103 26649 2096 1 6 . 1 1 14 14 VAL H H 14 9.240 9.240 7.865 1.375 26649 2097 1 6 . 1 1 15 15 ASP N N 15 117.873 117.873 123.243 -5.370 26649 2098 1 6 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.626 0.374 26649 2099 1 6 . 1 1 15 15 ASP C C 15 175.239 175.239 174.093 1.146 26649 2100 1 6 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.451 2.034 26649 2101 1 6 . 1 1 15 15 ASP CB C 15 47.198 47.198 43.151 4.047 26649 2102 1 6 . 1 1 15 15 ASP H H 15 7.912 7.912 7.936 -0.024 26649 2103 1 6 . 1 1 16 16 THR N N 16 115.850 115.850 118.871 -3.021 26649 2104 1 6 . 1 1 16 16 THR HA H 16 4.415 4.415 4.608 -0.193 26649 2105 1 6 . 1 1 16 16 THR C C 16 172.752 172.752 173.424 -0.672 26649 2106 1 6 . 1 1 16 16 THR CA C 16 64.002 64.002 60.640 3.362 26649 2107 1 6 . 1 1 16 16 THR CB C 16 73.042 73.042 69.949 3.093 26649 2108 1 6 . 1 1 16 16 THR H H 16 8.666 8.666 8.379 0.287 26649 2109 1 6 . 1 1 17 17 LEU N N 17 124.937 124.937 126.239 -1.302 26649 2110 1 6 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.874 -0.177 26649 2111 1 6 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.045 2.209 26649 2112 1 6 . 1 1 17 17 LEU CB C 17 43.502 43.502 44.161 -0.659 26649 2113 1 6 . 1 1 17 17 LEU H H 17 7.894 7.894 8.252 -0.358 26649 2114 1 6 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.717 -0.345 26649 2115 1 6 . 1 1 18 18 PRO C C 18 175.846 175.846 176.006 -0.160 26649 2116 1 6 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.654 2.573 26649 2117 1 6 . 1 1 18 18 PRO CB C 18 36.953 36.953 31.447 5.506 26649 2118 1 6 . 1 1 19 19 ASN N N 19 114.919 114.919 120.646 -5.727 26649 2119 1 6 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.573 -0.228 26649 2120 1 6 . 1 1 19 19 ASN C C 19 175.137 175.137 174.667 0.470 26649 2121 1 6 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.250 3.531 26649 2122 1 6 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.717 3.615 26649 2123 1 6 . 1 1 19 19 ASN H H 19 8.714 8.714 8.823 -0.109 26649 2124 1 6 . 1 1 20 20 THR N N 20 110.616 110.616 109.881 0.735 26649 2125 1 6 . 1 1 20 20 THR HA H 20 3.881 3.881 3.816 0.065 26649 2126 1 6 . 1 1 20 20 THR C C 20 172.384 172.384 172.712 -0.328 26649 2127 1 6 . 1 1 20 20 THR CA C 20 65.985 65.985 63.502 2.483 26649 2128 1 6 . 1 1 20 20 THR CB C 20 70.012 70.012 66.984 3.028 26649 2129 1 6 . 1 1 20 20 THR H H 20 8.579 8.579 8.304 0.275 26649 2130 1 6 . 1 1 21 21 MET N N 21 115.910 115.910 116.566 -0.656 26649 2131 1 6 . 1 1 21 21 MET HA H 21 5.074 5.074 4.533 0.541 26649 2132 1 6 . 1 1 21 21 MET C C 21 175.080 175.080 173.348 1.732 26649 2133 1 6 . 1 1 21 21 MET CA C 21 54.347 54.347 54.627 -0.280 26649 2134 1 6 . 1 1 21 21 MET CB C 21 38.359 38.359 37.366 0.993 26649 2135 1 6 . 1 1 21 21 MET H H 21 6.314 6.314 6.963 -0.649 26649 2136 1 6 . 1 1 22 22 PHE N N 22 115.989 115.989 115.989 0.000 26649 2137 1 6 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.247 -0.250 26649 2138 1 6 . 1 1 22 22 PHE C C 22 174.953 174.953 173.800 1.153 26649 2139 1 6 . 1 1 22 22 PHE CA C 22 59.491 59.491 56.850 2.641 26649 2140 1 6 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.437 4.779 26649 2141 1 6 . 1 1 22 22 PHE H H 22 8.744 8.744 9.064 -0.320 26649 2142 1 6 . 1 1 23 23 ARG N N 23 122.523 122.523 120.802 1.721 26649 2143 1 6 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.125 0.111 26649 2144 1 6 . 1 1 23 23 ARG C C 23 175.828 175.828 173.857 1.971 26649 2145 1 6 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.062 1.007 26649 2146 1 6 . 1 1 23 23 ARG CB C 23 35.838 35.838 34.312 1.526 26649 2147 1 6 . 1 1 23 23 ARG H H 23 8.661 8.661 8.842 -0.181 26649 2148 1 6 . 1 1 24 24 VAL N N 24 126.448 126.448 124.090 2.358 26649 2149 1 6 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.965 -0.281 26649 2150 1 6 . 1 1 24 24 VAL C C 24 173.637 173.637 174.088 -0.451 26649 2151 1 6 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.019 3.752 26649 2152 1 6 . 1 1 24 24 VAL CB C 24 39.529 39.529 35.773 3.756 26649 2153 1 6 . 1 1 24 24 VAL H H 24 9.342 9.342 8.508 0.834 26649 2154 1 6 . 1 1 25 25 GLU N N 25 128.611 128.611 128.168 0.443 26649 2155 1 6 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.564 0.149 26649 2156 1 6 . 1 1 25 25 GLU C C 25 176.160 176.160 175.547 0.613 26649 2157 1 6 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.546 0.835 26649 2158 1 6 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.054 4.117 26649 2159 1 6 . 1 1 25 25 GLU H H 25 9.125 9.125 9.037 0.088 26649 2160 1 6 . 1 1 26 26 LEU N N 26 129.185 129.185 125.339 3.846 26649 2161 1 6 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.728 0.101 26649 2162 1 6 . 1 1 26 26 LEU C C 26 179.291 179.291 177.026 2.265 26649 2163 1 6 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.622 3.516 26649 2164 1 6 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.046 5.248 26649 2165 1 6 . 1 1 26 26 LEU H H 26 9.305 9.305 8.387 0.918 26649 2166 1 6 . 1 1 27 27 GLU N N 27 119.943 119.943 120.275 -0.332 26649 2167 1 6 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.897 0.241 26649 2168 1 6 . 1 1 27 27 GLU C C 27 175.981 175.981 176.846 -0.865 26649 2169 1 6 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.418 1.927 26649 2170 1 6 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.512 5.510 26649 2171 1 6 . 1 1 27 27 GLU H H 27 8.624 8.624 8.380 0.244 26649 2172 1 6 . 1 1 28 28 ASN N N 28 114.077 114.077 117.089 -3.012 26649 2173 1 6 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.599 0.037 26649 2174 1 6 . 1 1 28 28 ASN C C 28 176.489 176.489 175.437 1.052 26649 2175 1 6 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.372 1.937 26649 2176 1 6 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.716 4.471 26649 2177 1 6 . 1 1 28 28 ASN H H 28 7.268 7.268 8.128 -0.860 26649 2178 1 6 . 1 1 29 29 GLY N N 29 108.202 108.202 105.478 2.724 26649 2179 1 6 . 1 1 29 29 GLY C C 29 174.446 174.446 173.561 0.885 26649 2180 1 6 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.828 2.494 26649 2181 1 6 . 1 1 29 29 GLY H H 29 8.367 8.367 7.862 0.505 26649 2182 1 6 . 1 1 30 30 HIS N N 30 119.105 119.105 120.369 -1.264 26649 2183 1 6 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.023 -0.308 26649 2184 1 6 . 1 1 30 30 HIS C C 30 173.468 173.468 173.090 0.378 26649 2185 1 6 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.429 3.624 26649 2186 1 6 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.341 0.368 26649 2187 1 6 . 1 1 30 30 HIS H H 30 7.954 7.954 8.576 -0.622 26649 2188 1 6 . 1 1 31 31 VAL N N 31 124.046 124.046 123.429 0.617 26649 2189 1 6 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.351 0.700 26649 2190 1 6 . 1 1 31 31 VAL C C 31 176.209 176.209 173.252 2.957 26649 2191 1 6 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.178 2.392 26649 2192 1 6 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.287 0.767 26649 2193 1 6 . 1 1 31 31 VAL H H 31 8.601 8.601 8.681 -0.080 26649 2194 1 6 . 1 1 32 32 VAL N N 32 120.179 120.179 123.184 -3.005 26649 2195 1 6 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.482 0.304 26649 2196 1 6 . 1 1 32 32 VAL C C 32 175.124 175.124 174.314 0.810 26649 2197 1 6 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.126 -0.263 26649 2198 1 6 . 1 1 32 32 VAL CB C 32 39.829 39.829 35.952 3.877 26649 2199 1 6 . 1 1 32 32 VAL H H 32 8.966 8.966 8.686 0.280 26649 2200 1 6 . 1 1 33 33 THR N N 33 118.645 118.645 117.344 1.301 26649 2201 1 6 . 1 1 33 33 THR HA H 33 5.061 5.061 4.990 0.071 26649 2202 1 6 . 1 1 33 33 THR C C 33 174.171 174.171 172.813 1.358 26649 2203 1 6 . 1 1 33 33 THR CA C 33 65.278 65.278 61.777 3.501 26649 2204 1 6 . 1 1 33 33 THR CB C 33 72.059 72.059 70.319 1.740 26649 2205 1 6 . 1 1 33 33 THR H H 33 8.235 8.235 8.073 0.162 26649 2206 1 6 . 1 1 34 34 ALA N N 34 129.128 129.128 127.401 1.727 26649 2207 1 6 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.559 0.013 26649 2208 1 6 . 1 1 34 34 ALA C C 34 175.686 175.686 174.885 0.801 26649 2209 1 6 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.700 3.356 26649 2210 1 6 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.730 2.304 26649 2211 1 6 . 1 1 34 34 ALA H H 34 9.777 9.777 9.275 0.502 26649 2212 1 6 . 1 1 35 35 HIS N N 35 116.059 116.059 115.409 0.650 26649 2213 1 6 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.238 0.273 26649 2214 1 6 . 1 1 35 35 HIS C C 35 174.302 174.302 173.100 1.202 26649 2215 1 6 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.825 2.226 26649 2216 1 6 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.286 3.400 26649 2217 1 6 . 1 1 35 35 HIS H H 35 7.712 7.712 8.063 -0.351 26649 2218 1 6 . 1 1 36 36 ILE N N 36 119.551 119.551 121.764 -2.213 26649 2219 1 6 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.288 0.221 26649 2220 1 6 . 1 1 36 36 ILE C C 36 175.686 175.686 175.544 0.142 26649 2221 1 6 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.470 2.201 26649 2222 1 6 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.439 1.736 26649 2223 1 6 . 1 1 36 36 ILE H H 36 9.509 9.509 8.925 0.584 26649 2224 1 6 . 1 1 37 37 SER N N 37 120.084 120.084 122.948 -2.864 26649 2225 1 6 . 1 1 37 37 SER HA H 37 4.543 4.543 4.439 0.104 26649 2226 1 6 . 1 1 37 37 SER C C 37 175.073 175.073 176.799 -1.726 26649 2227 1 6 . 1 1 37 37 SER CA C 37 61.428 61.428 58.727 2.701 26649 2228 1 6 . 1 1 37 37 SER CB C 37 69.228 69.228 64.349 4.879 26649 2229 1 6 . 1 1 37 37 SER H H 37 8.427 8.427 8.614 -0.187 26649 2230 1 6 . 1 1 38 38 GLY N N 38 112.268 112.268 108.281 3.987 26649 2231 1 6 . 1 1 38 38 GLY C C 38 176.124 176.124 175.713 0.411 26649 2232 1 6 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.360 2.934 26649 2233 1 6 . 1 1 38 38 GLY H H 38 9.059 9.059 8.934 0.125 26649 2234 1 6 . 1 1 39 39 LYS N N 39 121.027 121.027 121.353 -0.326 26649 2235 1 6 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.837 0.274 26649 2236 1 6 . 1 1 39 39 LYS C C 39 178.155 178.155 178.736 -0.581 26649 2237 1 6 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.373 2.180 26649 2238 1 6 . 1 1 39 39 LYS CB C 39 37.222 37.222 31.719 5.503 26649 2239 1 6 . 1 1 39 39 LYS H H 39 8.346 8.346 7.678 0.668 26649 2240 1 6 . 1 1 40 40 MET N N 40 118.288 118.288 116.385 1.903 26649 2241 1 6 . 1 1 40 40 MET HA H 40 4.281 4.281 4.184 0.097 26649 2242 1 6 . 1 1 40 40 MET C C 40 177.179 177.179 177.772 -0.593 26649 2243 1 6 . 1 1 40 40 MET CA C 40 58.000 58.000 58.800 -0.800 26649 2244 1 6 . 1 1 40 40 MET CB C 40 36.025 36.025 32.253 3.772 26649 2245 1 6 . 1 1 40 40 MET H H 40 7.741 7.741 7.898 -0.157 26649 2246 1 6 . 1 1 41 41 ARG N N 41 119.988 119.988 119.758 0.230 26649 2247 1 6 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.025 0.036 26649 2248 1 6 . 1 1 41 41 ARG C C 41 177.749 177.749 178.966 -1.217 26649 2249 1 6 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.104 0.432 26649 2250 1 6 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.243 1.853 26649 2251 1 6 . 1 1 41 41 ARG H H 41 7.948 7.948 7.994 -0.046 26649 2252 1 6 . 1 1 42 42 LYS N N 42 119.136 119.136 117.564 1.572 26649 2253 1 6 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.052 0.026 26649 2254 1 6 . 1 1 42 42 LYS C C 42 176.430 176.430 177.686 -1.256 26649 2255 1 6 . 1 1 42 42 LYS CA C 42 58.518 58.518 57.807 0.711 26649 2256 1 6 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.405 4.684 26649 2257 1 6 . 1 1 42 42 LYS H H 42 7.895 7.895 7.602 0.293 26649 2258 1 6 . 1 1 43 43 ASN N N 43 116.823 116.823 116.997 -0.174 26649 2259 1 6 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.314 0.352 26649 2260 1 6 . 1 1 43 43 ASN C C 43 174.310 174.310 174.633 -0.323 26649 2261 1 6 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.091 1.851 26649 2262 1 6 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.831 4.540 26649 2263 1 6 . 1 1 43 43 ASN H H 43 7.840 7.840 8.010 -0.170 26649 2264 1 6 . 1 1 44 44 TYR N N 44 118.475 118.475 115.306 3.169 26649 2265 1 6 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.049 0.308 26649 2266 1 6 . 1 1 44 44 TYR C C 44 175.072 175.072 175.120 -0.048 26649 2267 1 6 . 1 1 44 44 TYR CA C 44 59.757 59.757 59.168 0.589 26649 2268 1 6 . 1 1 44 44 TYR CB C 44 42.222 42.222 36.715 5.508 26649 2269 1 6 . 1 1 44 44 TYR H H 44 7.701 7.701 6.792 0.909 26649 2270 1 6 . 1 1 45 45 ILE N N 45 123.061 123.061 122.456 0.605 26649 2271 1 6 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.958 -0.046 26649 2272 1 6 . 1 1 45 45 ILE C C 45 174.790 174.790 176.284 -1.494 26649 2273 1 6 . 1 1 45 45 ILE CA C 45 62.935 62.935 63.142 -0.207 26649 2274 1 6 . 1 1 45 45 ILE CB C 45 40.718 40.718 37.757 2.961 26649 2275 1 6 . 1 1 45 45 ILE H H 45 7.538 7.538 8.168 -0.630 26649 2276 1 6 . 1 1 46 46 ARG N N 46 125.163 125.163 130.212 -5.049 26649 2277 1 6 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.546 -0.358 26649 2278 1 6 . 1 1 46 46 ARG C C 46 174.870 174.870 174.229 0.641 26649 2279 1 6 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.764 1.725 26649 2280 1 6 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.703 4.944 26649 2281 1 6 . 1 1 46 46 ARG H H 46 8.105 8.105 8.488 -0.383 26649 2282 1 6 . 1 1 47 47 ILE N N 47 126.439 126.439 126.334 0.105 26649 2283 1 6 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.273 -0.299 26649 2284 1 6 . 1 1 47 47 ILE C C 47 173.723 173.723 173.999 -0.276 26649 2285 1 6 . 1 1 47 47 ILE CA C 47 62.212 62.212 59.751 2.461 26649 2286 1 6 . 1 1 47 47 ILE CB C 47 42.293 42.293 40.577 1.716 26649 2287 1 6 . 1 1 47 47 ILE H H 47 8.072 8.072 8.180 -0.108 26649 2288 1 6 . 1 1 48 48 LEU N N 48 127.845 127.845 128.031 -0.186 26649 2289 1 6 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.666 0.055 26649 2290 1 6 . 1 1 48 48 LEU C C 48 177.100 177.100 175.079 2.021 26649 2291 1 6 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.765 0.877 26649 2292 1 6 . 1 1 48 48 LEU CB C 48 48.008 48.008 45.031 2.977 26649 2293 1 6 . 1 1 48 48 LEU H H 48 8.662 8.662 8.329 0.333 26649 2294 1 6 . 1 1 49 49 THR N N 49 115.775 115.775 119.832 -4.057 26649 2295 1 6 . 1 1 49 49 THR HA H 49 3.611 3.611 4.228 -0.617 26649 2296 1 6 . 1 1 49 49 THR C C 49 175.507 175.507 175.272 0.235 26649 2297 1 6 . 1 1 49 49 THR CA C 49 67.651 67.651 63.155 4.496 26649 2298 1 6 . 1 1 49 49 THR CB C 49 71.174 71.174 69.171 2.003 26649 2299 1 6 . 1 1 49 49 THR H H 49 8.281 8.281 8.142 0.139 26649 2300 1 6 . 1 1 50 50 GLY N N 50 116.246 116.246 117.425 -1.179 26649 2301 1 6 . 1 1 50 50 GLY C C 50 174.433 174.433 172.903 1.530 26649 2302 1 6 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.925 1.954 26649 2303 1 6 . 1 1 50 50 GLY H H 50 9.211 9.211 9.045 0.166 26649 2304 1 6 . 1 1 51 51 ASP N N 51 121.695 121.695 122.141 -0.446 26649 2305 1 6 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.769 -0.194 26649 2306 1 6 . 1 1 51 51 ASP C C 51 175.571 175.571 175.726 -0.155 26649 2307 1 6 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.056 5.395 26649 2308 1 6 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.847 2.622 26649 2309 1 6 . 1 1 51 51 ASP H H 51 8.114 8.114 7.673 0.441 26649 2310 1 6 . 1 1 52 52 LYS N N 52 121.380 121.380 125.527 -4.147 26649 2311 1 6 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.460 0.634 26649 2312 1 6 . 1 1 52 52 LYS C C 52 176.630 176.630 175.915 0.715 26649 2313 1 6 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.195 -0.103 26649 2314 1 6 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.387 4.520 26649 2315 1 6 . 1 1 52 52 LYS H H 52 8.504 8.504 8.137 0.367 26649 2316 1 6 . 1 1 53 53 VAL N N 53 115.067 115.067 118.541 -3.474 26649 2317 1 6 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.257 -0.074 26649 2318 1 6 . 1 1 53 53 VAL C C 53 174.865 174.865 174.610 0.255 26649 2319 1 6 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.552 0.490 26649 2320 1 6 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.971 2.552 26649 2321 1 6 . 1 1 53 53 VAL H H 53 8.730 8.730 9.184 -0.454 26649 2322 1 6 . 1 1 54 54 ARG N N 54 118.772 118.772 119.756 -0.984 26649 2323 1 6 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.557 0.337 26649 2324 1 6 . 1 1 54 54 ARG C C 54 175.140 175.140 175.278 -0.138 26649 2325 1 6 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.354 1.282 26649 2326 1 6 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.176 6.367 26649 2327 1 6 . 1 1 54 54 ARG H H 54 8.208 8.208 8.224 -0.016 26649 2328 1 6 . 1 1 55 55 VAL N N 55 121.560 121.560 125.356 -3.796 26649 2329 1 6 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.902 -0.160 26649 2330 1 6 . 1 1 55 55 VAL C C 55 173.816 173.816 175.406 -1.590 26649 2331 1 6 . 1 1 55 55 VAL CA C 55 60.803 60.803 61.196 -0.393 26649 2332 1 6 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.633 3.088 26649 2333 1 6 . 1 1 55 55 VAL H H 55 8.961 8.961 8.764 0.197 26649 2334 1 6 . 1 1 56 56 GLU N N 56 126.127 126.127 125.799 0.328 26649 2335 1 6 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.264 -0.361 26649 2336 1 6 . 1 1 56 56 GLU C C 56 176.010 176.010 176.039 -0.029 26649 2337 1 6 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.997 0.770 26649 2338 1 6 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.822 4.408 26649 2339 1 6 . 1 1 56 56 GLU H H 56 9.296 9.296 8.532 0.764 26649 2340 1 6 . 1 1 57 57 LEU N N 57 129.725 129.725 126.725 3.000 26649 2341 1 6 . 1 1 57 57 LEU HA H 57 4.731 4.731 5.181 -0.450 26649 2342 1 6 . 1 1 57 57 LEU C C 57 175.520 175.520 177.126 -1.606 26649 2343 1 6 . 1 1 57 57 LEU CA C 57 56.187 56.187 54.137 2.050 26649 2344 1 6 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.804 2.236 26649 2345 1 6 . 1 1 57 57 LEU H H 57 9.057 9.057 8.779 0.278 26649 2346 1 6 . 1 1 58 58 THR N N 58 114.373 114.373 110.227 4.146 26649 2347 1 6 . 1 1 58 58 THR HA H 58 4.684 4.684 5.104 -0.420 26649 2348 1 6 . 1 1 58 58 THR CA C 58 59.837 59.837 58.916 0.921 26649 2349 1 6 . 1 1 58 58 THR CB C 58 71.774 71.774 70.664 1.110 26649 2350 1 6 . 1 1 58 58 THR H H 58 8.645 8.645 8.076 0.569 26649 2351 1 6 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.372 -0.256 26649 2352 1 6 . 1 1 59 59 PRO C C 59 176.717 176.717 177.173 -0.456 26649 2353 1 6 . 1 1 59 59 PRO CA C 59 67.329 67.329 65.112 2.217 26649 2354 1 6 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.588 4.808 26649 2355 1 6 . 1 1 60 60 TYR N N 60 113.100 113.100 118.121 -5.021 26649 2356 1 6 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.353 0.080 26649 2357 1 6 . 1 1 60 60 TYR C C 60 175.684 175.684 175.037 0.647 26649 2358 1 6 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.616 -0.562 26649 2359 1 6 . 1 1 60 60 TYR CB C 60 42.345 42.345 39.088 3.257 26649 2360 1 6 . 1 1 60 60 TYR H H 60 7.057 7.057 8.076 -1.019 26649 2361 1 6 . 1 1 61 61 ASP N N 61 118.239 118.239 116.214 2.025 26649 2362 1 6 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.764 -0.057 26649 2363 1 6 . 1 1 61 61 ASP C C 61 175.155 175.155 175.601 -0.446 26649 2364 1 6 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.062 3.174 26649 2365 1 6 . 1 1 61 61 ASP CB C 61 45.118 45.118 39.717 5.401 26649 2366 1 6 . 1 1 61 61 ASP H H 61 7.349 7.349 7.639 -0.290 26649 2367 1 6 . 1 1 62 62 LEU N N 62 124.571 124.571 121.284 3.287 26649 2368 1 6 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.201 0.199 26649 2369 1 6 . 1 1 62 62 LEU C C 62 176.534 176.534 178.329 -1.795 26649 2370 1 6 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.631 -0.567 26649 2371 1 6 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.851 3.615 26649 2372 1 6 . 1 1 62 62 LEU H H 62 8.713 8.713 8.577 0.136 26649 2373 1 6 . 1 1 63 63 SER N N 63 113.199 113.199 111.802 1.397 26649 2374 1 6 . 1 1 63 63 SER HA H 63 4.672 4.672 4.307 0.365 26649 2375 1 6 . 1 1 63 63 SER C C 63 174.199 174.199 174.218 -0.019 26649 2376 1 6 . 1 1 63 63 SER CA C 63 60.593 60.593 60.541 0.052 26649 2377 1 6 . 1 1 63 63 SER CB C 63 69.233 69.233 63.317 5.916 26649 2378 1 6 . 1 1 63 63 SER H H 63 8.515 8.515 8.071 0.444 26649 2379 1 6 . 1 1 64 64 LYS N N 64 122.388 122.388 119.042 3.346 26649 2380 1 6 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.155 0.308 26649 2381 1 6 . 1 1 64 64 LYS C C 64 174.870 174.870 175.100 -0.230 26649 2382 1 6 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.155 0.433 26649 2383 1 6 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.757 4.402 26649 2384 1 6 . 1 1 64 64 LYS H H 64 7.646 7.646 7.902 -0.256 26649 2385 1 6 . 1 1 65 65 GLY N N 65 103.185 103.185 108.370 -5.185 26649 2386 1 6 . 1 1 65 65 GLY C C 65 171.434 171.434 171.999 -0.565 26649 2387 1 6 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.381 2.904 26649 2388 1 6 . 1 1 65 65 GLY H H 65 7.803 7.803 8.720 -0.917 26649 2389 1 6 . 1 1 66 66 ARG N N 66 118.652 118.652 116.994 1.658 26649 2390 1 6 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.408 0.558 26649 2391 1 6 . 1 1 66 66 ARG C C 66 175.315 175.315 174.228 1.087 26649 2392 1 6 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.216 0.719 26649 2393 1 6 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.449 3.571 26649 2394 1 6 . 1 1 66 66 ARG H H 66 8.468 8.468 8.234 0.234 26649 2395 1 6 . 1 1 67 67 ILE N N 67 125.685 125.685 120.168 5.517 26649 2396 1 6 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.953 -0.430 26649 2397 1 6 . 1 1 67 67 ILE C C 67 175.888 175.888 175.148 0.740 26649 2398 1 6 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.316 4.662 26649 2399 1 6 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.987 2.686 26649 2400 1 6 . 1 1 67 67 ILE H H 67 9.078 9.078 8.040 1.038 26649 2401 1 6 . 1 1 68 68 THR N N 68 117.575 117.575 121.242 -3.667 26649 2402 1 6 . 1 1 68 68 THR HA H 68 4.485 4.485 4.444 0.041 26649 2403 1 6 . 1 1 68 68 THR C C 68 174.989 174.989 173.224 1.765 26649 2404 1 6 . 1 1 68 68 THR CA C 68 64.174 64.174 61.962 2.212 26649 2405 1 6 . 1 1 68 68 THR CB C 68 72.920 72.920 70.173 2.747 26649 2406 1 6 . 1 1 68 68 THR H H 68 8.649 8.649 8.318 0.331 26649 2407 1 6 . 1 1 69 69 TYR N N 69 122.143 122.143 124.329 -2.186 26649 2408 1 6 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.347 0.244 26649 2409 1 6 . 1 1 69 69 TYR C C 69 172.880 172.880 173.072 -0.192 26649 2410 1 6 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.608 4.196 26649 2411 1 6 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.148 6.262 26649 2412 1 6 . 1 1 69 69 TYR H H 69 7.538 7.538 8.363 -0.825 26649 2413 1 6 . 1 1 70 70 ARG N N 70 126.202 126.202 124.543 1.659 26649 2414 1 6 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.472 -0.856 26649 2415 1 6 . 1 1 70 70 ARG C C 70 173.644 173.644 173.639 0.005 26649 2416 1 6 . 1 1 70 70 ARG CA C 70 57.871 57.871 53.931 3.940 26649 2417 1 6 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.204 2.182 26649 2418 1 6 . 1 1 70 70 ARG H H 70 7.716 7.716 7.627 0.089 26649 2419 1 6 . 1 1 71 71 ALA N N 71 128.442 128.442 123.180 5.262 26649 2420 1 6 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.508 -0.412 26649 2421 1 6 . 1 1 71 71 ALA C C 71 176.753 176.753 175.218 1.535 26649 2422 1 6 . 1 1 71 71 ALA CA C 71 55.266 55.266 51.252 4.014 26649 2423 1 6 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.299 -1.088 26649 2424 1 6 . 1 1 71 71 ALA H H 71 8.456 8.456 8.898 -0.442 26649 2425 1 7 . 1 1 2 2 SER N N 2 116.344 116.344 114.551 1.793 26649 2426 1 7 . 1 1 2 2 SER HA H 2 4.543 4.543 4.649 -0.106 26649 2427 1 7 . 1 1 2 2 SER C C 2 174.500 174.500 173.961 0.539 26649 2428 1 7 . 1 1 2 2 SER CA C 2 61.592 61.592 58.750 2.842 26649 2429 1 7 . 1 1 2 2 SER CB C 2 68.657 68.657 63.917 4.739 26649 2430 1 7 . 1 1 2 2 SER H H 2 8.756 8.756 8.623 0.133 26649 2431 1 7 . 1 1 3 3 LYS N N 3 123.531 123.531 120.910 2.621 26649 2432 1 7 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.600 -0.275 26649 2433 1 7 . 1 1 3 3 LYS C C 3 176.570 176.570 176.315 0.255 26649 2434 1 7 . 1 1 3 3 LYS CA C 3 59.818 59.818 55.626 4.192 26649 2435 1 7 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.943 4.550 26649 2436 1 7 . 1 1 3 3 LYS H H 3 8.582 8.582 7.583 0.999 26649 2437 1 7 . 1 1 4 4 GLU N N 4 121.085 121.085 120.060 1.025 26649 2438 1 7 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.237 0.105 26649 2439 1 7 . 1 1 4 4 GLU C C 4 176.071 176.071 176.548 -0.477 26649 2440 1 7 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.470 3.453 26649 2441 1 7 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.565 3.855 26649 2442 1 7 . 1 1 4 4 GLU H H 4 8.488 8.488 8.447 0.041 26649 2443 1 7 . 1 1 5 5 ASP N N 5 120.965 120.965 119.168 1.797 26649 2444 1 7 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.367 0.287 26649 2445 1 7 . 1 1 5 5 ASP C C 5 175.760 175.760 174.839 0.921 26649 2446 1 7 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.583 2.679 26649 2447 1 7 . 1 1 5 5 ASP CB C 5 45.605 45.605 40.468 5.137 26649 2448 1 7 . 1 1 5 5 ASP H H 5 8.235 8.235 8.415 -0.180 26649 2449 1 7 . 1 1 6 6 SER N N 6 114.678 114.678 111.986 2.692 26649 2450 1 7 . 1 1 6 6 SER HA H 6 4.783 4.783 4.916 -0.133 26649 2451 1 7 . 1 1 6 6 SER C C 6 173.417 173.417 173.894 -0.477 26649 2452 1 7 . 1 1 6 6 SER CA C 6 62.802 62.802 58.217 4.585 26649 2453 1 7 . 1 1 6 6 SER CB C 6 69.115 69.115 64.678 4.437 26649 2454 1 7 . 1 1 6 6 SER H H 6 8.018 8.018 7.550 0.468 26649 2455 1 7 . 1 1 7 7 PHE N N 7 119.686 119.686 120.759 -1.073 26649 2456 1 7 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.725 0.136 26649 2457 1 7 . 1 1 7 7 PHE C C 7 173.245 173.245 174.932 -1.687 26649 2458 1 7 . 1 1 7 7 PHE CA C 7 58.422 58.422 56.986 1.436 26649 2459 1 7 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.384 2.346 26649 2460 1 7 . 1 1 7 7 PHE H H 7 8.612 8.612 8.270 0.342 26649 2461 1 7 . 1 1 8 8 GLU N N 8 119.627 119.627 123.675 -4.048 26649 2462 1 7 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.532 0.863 26649 2463 1 7 . 1 1 8 8 GLU C C 8 176.059 176.059 175.656 0.403 26649 2464 1 7 . 1 1 8 8 GLU CA C 8 56.352 56.352 56.569 -0.217 26649 2465 1 7 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.201 6.208 26649 2466 1 7 . 1 1 8 8 GLU H H 8 8.362 8.362 8.677 -0.315 26649 2467 1 7 . 1 1 9 9 MET N N 9 121.547 121.547 123.617 -2.070 26649 2468 1 7 . 1 1 9 9 MET HA H 9 4.796 4.796 4.707 0.089 26649 2469 1 7 . 1 1 9 9 MET C C 9 174.247 174.247 173.700 0.547 26649 2470 1 7 . 1 1 9 9 MET CA C 9 57.733 57.733 54.837 2.896 26649 2471 1 7 . 1 1 9 9 MET CB C 9 42.776 42.776 37.097 5.679 26649 2472 1 7 . 1 1 9 9 MET H H 9 8.895 8.895 8.642 0.253 26649 2473 1 7 . 1 1 10 10 GLU N N 10 122.112 122.112 123.213 -1.101 26649 2474 1 7 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.338 -0.350 26649 2475 1 7 . 1 1 10 10 GLU C C 10 176.016 176.016 176.351 -0.335 26649 2476 1 7 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.319 1.366 26649 2477 1 7 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.679 4.113 26649 2478 1 7 . 1 1 10 10 GLU H H 10 8.820 8.820 8.581 0.239 26649 2479 1 7 . 1 1 11 11 GLY N N 11 106.766 106.766 109.268 -2.502 26649 2480 1 7 . 1 1 11 11 GLY C C 11 171.420 171.420 172.510 -1.090 26649 2481 1 7 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.352 2.756 26649 2482 1 7 . 1 1 11 11 GLY H H 11 8.771 8.771 8.895 -0.124 26649 2483 1 7 . 1 1 12 12 THR N N 12 116.018 116.018 116.624 -0.606 26649 2484 1 7 . 1 1 12 12 THR HA H 12 5.118 5.118 5.081 0.037 26649 2485 1 7 . 1 1 12 12 THR C C 12 174.240 174.240 173.895 0.345 26649 2486 1 7 . 1 1 12 12 THR CA C 12 64.101 64.101 61.114 2.987 26649 2487 1 7 . 1 1 12 12 THR CB C 12 74.309 74.309 70.786 3.523 26649 2488 1 7 . 1 1 12 12 THR H H 12 8.434 8.434 8.148 0.286 26649 2489 1 7 . 1 1 13 13 VAL N N 13 127.555 127.555 125.305 2.250 26649 2490 1 7 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.474 -0.455 26649 2491 1 7 . 1 1 13 13 VAL C C 13 176.464 176.464 174.581 1.883 26649 2492 1 7 . 1 1 13 13 VAL CA C 13 67.667 67.667 62.287 5.380 26649 2493 1 7 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.987 4.014 26649 2494 1 7 . 1 1 13 13 VAL H H 13 9.177 9.177 8.232 0.945 26649 2495 1 7 . 1 1 14 14 VAL N N 14 124.300 124.300 126.094 -1.794 26649 2496 1 7 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.693 -0.034 26649 2497 1 7 . 1 1 14 14 VAL C C 14 175.424 175.424 175.159 0.265 26649 2498 1 7 . 1 1 14 14 VAL CA C 14 64.017 64.017 60.755 3.263 26649 2499 1 7 . 1 1 14 14 VAL CB C 14 37.769 37.769 33.020 4.749 26649 2500 1 7 . 1 1 14 14 VAL H H 14 9.240 9.240 8.120 1.120 26649 2501 1 7 . 1 1 15 15 ASP N N 15 117.873 117.873 123.395 -5.522 26649 2502 1 7 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.712 0.288 26649 2503 1 7 . 1 1 15 15 ASP C C 15 175.239 175.239 174.725 0.514 26649 2504 1 7 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.345 2.140 26649 2505 1 7 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.082 3.116 26649 2506 1 7 . 1 1 15 15 ASP H H 15 7.912 7.912 8.171 -0.259 26649 2507 1 7 . 1 1 16 16 THR N N 16 115.850 115.850 117.013 -1.163 26649 2508 1 7 . 1 1 16 16 THR HA H 16 4.415 4.415 4.630 -0.215 26649 2509 1 7 . 1 1 16 16 THR C C 16 172.752 172.752 173.645 -0.893 26649 2510 1 7 . 1 1 16 16 THR CA C 16 64.002 64.002 61.242 2.760 26649 2511 1 7 . 1 1 16 16 THR CB C 16 73.042 73.042 69.418 3.624 26649 2512 1 7 . 1 1 16 16 THR H H 16 8.666 8.666 8.443 0.223 26649 2513 1 7 . 1 1 17 17 LEU N N 17 124.937 124.937 128.102 -3.165 26649 2514 1 7 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.829 -0.132 26649 2515 1 7 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.763 1.491 26649 2516 1 7 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.909 0.593 26649 2517 1 7 . 1 1 17 17 LEU H H 17 7.894 7.894 8.016 -0.122 26649 2518 1 7 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.621 -0.249 26649 2519 1 7 . 1 1 18 18 PRO C C 18 175.846 175.846 175.928 -0.082 26649 2520 1 7 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.581 2.647 26649 2521 1 7 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.333 4.620 26649 2522 1 7 . 1 1 19 19 ASN N N 19 114.919 114.919 116.115 -1.196 26649 2523 1 7 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.457 -0.112 26649 2524 1 7 . 1 1 19 19 ASN C C 19 175.137 175.137 174.162 0.975 26649 2525 1 7 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.608 3.172 26649 2526 1 7 . 1 1 19 19 ASN CB C 19 41.332 41.332 36.657 4.675 26649 2527 1 7 . 1 1 19 19 ASN H H 19 8.714 8.714 8.712 0.002 26649 2528 1 7 . 1 1 20 20 THR N N 20 110.616 110.616 107.824 2.792 26649 2529 1 7 . 1 1 20 20 THR HA H 20 3.881 3.881 3.713 0.168 26649 2530 1 7 . 1 1 20 20 THR C C 20 172.384 172.384 172.728 -0.344 26649 2531 1 7 . 1 1 20 20 THR CA C 20 65.985 65.985 63.550 2.435 26649 2532 1 7 . 1 1 20 20 THR CB C 20 70.012 70.012 67.325 2.687 26649 2533 1 7 . 1 1 20 20 THR H H 20 8.579 8.579 8.281 0.298 26649 2534 1 7 . 1 1 21 21 MET N N 21 115.910 115.910 116.326 -0.416 26649 2535 1 7 . 1 1 21 21 MET HA H 21 5.074 5.074 4.673 0.401 26649 2536 1 7 . 1 1 21 21 MET C C 21 175.080 175.080 173.487 1.593 26649 2537 1 7 . 1 1 21 21 MET CA C 21 54.347 54.347 54.544 -0.197 26649 2538 1 7 . 1 1 21 21 MET CB C 21 38.359 38.359 37.330 1.029 26649 2539 1 7 . 1 1 21 21 MET H H 21 6.314 6.314 6.993 -0.679 26649 2540 1 7 . 1 1 22 22 PHE N N 22 115.989 115.989 116.023 -0.034 26649 2541 1 7 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.190 -0.193 26649 2542 1 7 . 1 1 22 22 PHE C C 22 174.953 174.953 173.828 1.125 26649 2543 1 7 . 1 1 22 22 PHE CA C 22 59.491 59.491 56.976 2.515 26649 2544 1 7 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.220 4.996 26649 2545 1 7 . 1 1 22 22 PHE H H 22 8.744 8.744 9.148 -0.404 26649 2546 1 7 . 1 1 23 23 ARG N N 23 122.523 122.523 121.328 1.195 26649 2547 1 7 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.099 0.137 26649 2548 1 7 . 1 1 23 23 ARG C C 23 175.828 175.828 174.018 1.810 26649 2549 1 7 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.744 1.325 26649 2550 1 7 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.943 1.895 26649 2551 1 7 . 1 1 23 23 ARG H H 23 8.661 8.661 8.448 0.213 26649 2552 1 7 . 1 1 24 24 VAL N N 24 126.448 126.448 124.872 1.576 26649 2553 1 7 . 1 1 24 24 VAL HA H 24 4.684 4.684 5.041 -0.357 26649 2554 1 7 . 1 1 24 24 VAL C C 24 173.637 173.637 173.945 -0.308 26649 2555 1 7 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.417 3.353 26649 2556 1 7 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.993 4.536 26649 2557 1 7 . 1 1 24 24 VAL H H 24 9.342 9.342 8.988 0.354 26649 2558 1 7 . 1 1 25 25 GLU N N 25 128.611 128.611 128.339 0.272 26649 2559 1 7 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.610 0.103 26649 2560 1 7 . 1 1 25 25 GLU C C 25 176.160 176.160 175.574 0.586 26649 2561 1 7 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.676 0.705 26649 2562 1 7 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.509 3.662 26649 2563 1 7 . 1 1 25 25 GLU H H 25 9.125 9.125 9.104 0.021 26649 2564 1 7 . 1 1 26 26 LEU N N 26 129.185 129.185 125.163 4.022 26649 2565 1 7 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.709 0.120 26649 2566 1 7 . 1 1 26 26 LEU C C 26 179.291 179.291 177.279 2.012 26649 2567 1 7 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.012 3.126 26649 2568 1 7 . 1 1 26 26 LEU CB C 26 47.294 47.294 41.616 5.678 26649 2569 1 7 . 1 1 26 26 LEU H H 26 9.305 9.305 8.870 0.435 26649 2570 1 7 . 1 1 27 27 GLU N N 27 119.943 119.943 121.989 -2.046 26649 2571 1 7 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.901 0.237 26649 2572 1 7 . 1 1 27 27 GLU C C 27 175.981 175.981 176.713 -0.732 26649 2573 1 7 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.861 1.484 26649 2574 1 7 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.047 4.975 26649 2575 1 7 . 1 1 27 27 GLU H H 27 8.624 8.624 8.576 0.048 26649 2576 1 7 . 1 1 28 28 ASN N N 28 114.077 114.077 115.031 -0.954 26649 2577 1 7 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.616 0.020 26649 2578 1 7 . 1 1 28 28 ASN C C 28 176.489 176.489 175.453 1.036 26649 2579 1 7 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.523 1.786 26649 2580 1 7 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.418 4.769 26649 2581 1 7 . 1 1 28 28 ASN H H 28 7.268 7.268 8.101 -0.833 26649 2582 1 7 . 1 1 29 29 GLY N N 29 108.202 108.202 106.301 1.901 26649 2583 1 7 . 1 1 29 29 GLY C C 29 174.446 174.446 173.396 1.050 26649 2584 1 7 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.783 2.539 26649 2585 1 7 . 1 1 29 29 GLY H H 29 8.367 8.367 7.975 0.392 26649 2586 1 7 . 1 1 30 30 HIS N N 30 119.105 119.105 119.789 -0.684 26649 2587 1 7 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.018 -0.303 26649 2588 1 7 . 1 1 30 30 HIS C C 30 173.468 173.468 173.350 0.118 26649 2589 1 7 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.195 2.858 26649 2590 1 7 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.966 -0.257 26649 2591 1 7 . 1 1 30 30 HIS H H 30 7.954 7.954 8.741 -0.787 26649 2592 1 7 . 1 1 31 31 VAL N N 31 124.046 124.046 122.063 1.983 26649 2593 1 7 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.527 0.524 26649 2594 1 7 . 1 1 31 31 VAL C C 31 176.209 176.209 173.586 2.623 26649 2595 1 7 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.554 2.016 26649 2596 1 7 . 1 1 31 31 VAL CB C 31 35.054 35.054 33.850 1.204 26649 2597 1 7 . 1 1 31 31 VAL H H 31 8.601 8.601 8.614 -0.013 26649 2598 1 7 . 1 1 32 32 VAL N N 32 120.179 120.179 125.531 -5.352 26649 2599 1 7 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.544 0.242 26649 2600 1 7 . 1 1 32 32 VAL C C 32 175.124 175.124 174.085 1.039 26649 2601 1 7 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.486 -0.623 26649 2602 1 7 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.714 3.115 26649 2603 1 7 . 1 1 32 32 VAL H H 32 8.966 8.966 9.021 -0.055 26649 2604 1 7 . 1 1 33 33 THR N N 33 118.645 118.645 117.473 1.172 26649 2605 1 7 . 1 1 33 33 THR HA H 33 5.061 5.061 5.006 0.055 26649 2606 1 7 . 1 1 33 33 THR C C 33 174.171 174.171 172.730 1.441 26649 2607 1 7 . 1 1 33 33 THR CA C 33 65.278 65.278 61.282 3.996 26649 2608 1 7 . 1 1 33 33 THR CB C 33 72.059 72.059 70.294 1.765 26649 2609 1 7 . 1 1 33 33 THR H H 33 8.235 8.235 8.399 -0.164 26649 2610 1 7 . 1 1 34 34 ALA N N 34 129.128 129.128 126.992 2.136 26649 2611 1 7 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.446 0.126 26649 2612 1 7 . 1 1 34 34 ALA C C 34 175.686 175.686 174.676 1.010 26649 2613 1 7 . 1 1 34 34 ALA CA C 34 53.056 53.056 50.176 2.880 26649 2614 1 7 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.895 2.139 26649 2615 1 7 . 1 1 34 34 ALA H H 34 9.777 9.777 9.351 0.426 26649 2616 1 7 . 1 1 35 35 HIS N N 35 116.059 116.059 118.844 -2.785 26649 2617 1 7 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.279 0.232 26649 2618 1 7 . 1 1 35 35 HIS C C 35 174.302 174.302 173.091 1.211 26649 2619 1 7 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.176 1.875 26649 2620 1 7 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.504 3.182 26649 2621 1 7 . 1 1 35 35 HIS H H 35 7.712 7.712 8.608 -0.896 26649 2622 1 7 . 1 1 36 36 ILE N N 36 119.551 119.551 122.765 -3.214 26649 2623 1 7 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.147 0.362 26649 2624 1 7 . 1 1 36 36 ILE C C 36 175.686 175.686 174.147 1.539 26649 2625 1 7 . 1 1 36 36 ILE CA C 36 62.671 62.671 59.766 2.905 26649 2626 1 7 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.144 1.031 26649 2627 1 7 . 1 1 36 36 ILE H H 36 9.509 9.509 8.444 1.065 26649 2628 1 7 . 1 1 37 37 SER N N 37 120.084 120.084 119.642 0.442 26649 2629 1 7 . 1 1 37 37 SER HA H 37 4.543 4.543 4.473 0.070 26649 2630 1 7 . 1 1 37 37 SER C C 37 175.073 175.073 176.429 -1.356 26649 2631 1 7 . 1 1 37 37 SER CA C 37 61.428 61.428 58.154 3.274 26649 2632 1 7 . 1 1 37 37 SER CB C 37 69.228 69.228 64.713 4.515 26649 2633 1 7 . 1 1 37 37 SER H H 37 8.427 8.427 8.433 -0.006 26649 2634 1 7 . 1 1 38 38 GLY N N 38 112.268 112.268 108.670 3.598 26649 2635 1 7 . 1 1 38 38 GLY C C 38 176.124 176.124 175.787 0.337 26649 2636 1 7 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.407 2.887 26649 2637 1 7 . 1 1 38 38 GLY H H 38 9.059 9.059 8.561 0.498 26649 2638 1 7 . 1 1 39 39 LYS N N 39 121.027 121.027 120.906 0.121 26649 2639 1 7 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.968 0.143 26649 2640 1 7 . 1 1 39 39 LYS C C 39 178.155 178.155 178.125 0.030 26649 2641 1 7 . 1 1 39 39 LYS CA C 39 61.553 61.553 58.523 3.030 26649 2642 1 7 . 1 1 39 39 LYS CB C 39 37.222 37.222 31.780 5.442 26649 2643 1 7 . 1 1 39 39 LYS H H 39 8.346 8.346 8.453 -0.107 26649 2644 1 7 . 1 1 40 40 MET N N 40 118.288 118.288 118.230 0.058 26649 2645 1 7 . 1 1 40 40 MET HA H 40 4.281 4.281 4.166 0.115 26649 2646 1 7 . 1 1 40 40 MET C C 40 177.179 177.179 177.287 -0.108 26649 2647 1 7 . 1 1 40 40 MET CA C 40 58.000 58.000 58.473 -0.473 26649 2648 1 7 . 1 1 40 40 MET CB C 40 36.025 36.025 32.666 3.359 26649 2649 1 7 . 1 1 40 40 MET H H 40 7.741 7.741 7.522 0.219 26649 2650 1 7 . 1 1 41 41 ARG N N 41 119.988 119.988 118.217 1.771 26649 2651 1 7 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.097 -0.036 26649 2652 1 7 . 1 1 41 41 ARG C C 41 177.749 177.749 179.195 -1.446 26649 2653 1 7 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.875 0.661 26649 2654 1 7 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.384 1.712 26649 2655 1 7 . 1 1 41 41 ARG H H 41 7.948 7.948 7.806 0.142 26649 2656 1 7 . 1 1 42 42 LYS N N 42 119.136 119.136 118.510 0.626 26649 2657 1 7 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.189 -0.111 26649 2658 1 7 . 1 1 42 42 LYS C C 42 176.430 176.430 177.334 -0.904 26649 2659 1 7 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.073 0.445 26649 2660 1 7 . 1 1 42 42 LYS CB C 42 37.089 37.089 31.900 5.189 26649 2661 1 7 . 1 1 42 42 LYS H H 42 7.895 7.895 7.663 0.232 26649 2662 1 7 . 1 1 43 43 ASN N N 43 116.823 116.823 116.922 -0.099 26649 2663 1 7 . 1 1 43 43 ASN HA H 43 4.666 4.666 3.924 0.742 26649 2664 1 7 . 1 1 43 43 ASN C C 43 174.310 174.310 174.278 0.032 26649 2665 1 7 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.216 1.726 26649 2666 1 7 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.757 4.614 26649 2667 1 7 . 1 1 43 43 ASN H H 43 7.840 7.840 7.486 0.354 26649 2668 1 7 . 1 1 44 44 TYR N N 44 118.475 118.475 115.311 3.164 26649 2669 1 7 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.043 0.314 26649 2670 1 7 . 1 1 44 44 TYR C C 44 175.072 175.072 175.299 -0.227 26649 2671 1 7 . 1 1 44 44 TYR CA C 44 59.757 59.757 58.679 1.078 26649 2672 1 7 . 1 1 44 44 TYR CB C 44 42.222 42.222 36.125 6.097 26649 2673 1 7 . 1 1 44 44 TYR H H 44 7.701 7.701 7.257 0.444 26649 2674 1 7 . 1 1 45 45 ILE N N 45 123.061 123.061 121.968 1.093 26649 2675 1 7 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.909 0.003 26649 2676 1 7 . 1 1 45 45 ILE C C 45 174.790 174.790 175.791 -1.001 26649 2677 1 7 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.491 0.444 26649 2678 1 7 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.227 2.491 26649 2679 1 7 . 1 1 45 45 ILE H H 45 7.538 7.538 8.226 -0.688 26649 2680 1 7 . 1 1 46 46 ARG N N 46 125.163 125.163 124.482 0.681 26649 2681 1 7 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.261 -0.073 26649 2682 1 7 . 1 1 46 46 ARG C C 46 174.870 174.870 176.144 -1.274 26649 2683 1 7 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.547 1.942 26649 2684 1 7 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.756 4.891 26649 2685 1 7 . 1 1 46 46 ARG H H 46 8.105 8.105 8.163 -0.058 26649 2686 1 7 . 1 1 47 47 ILE N N 47 126.439 126.439 121.490 4.949 26649 2687 1 7 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.118 -0.144 26649 2688 1 7 . 1 1 47 47 ILE C C 47 173.723 173.723 176.569 -2.846 26649 2689 1 7 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.279 1.933 26649 2690 1 7 . 1 1 47 47 ILE CB C 47 42.293 42.293 37.344 4.949 26649 2691 1 7 . 1 1 47 47 ILE H H 47 8.072 8.072 8.296 -0.224 26649 2692 1 7 . 1 1 48 48 LEU N N 48 127.845 127.845 125.237 2.608 26649 2693 1 7 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.285 0.436 26649 2694 1 7 . 1 1 48 48 LEU C C 48 177.100 177.100 177.361 -0.261 26649 2695 1 7 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.640 1.002 26649 2696 1 7 . 1 1 48 48 LEU CB C 48 48.008 48.008 41.847 6.161 26649 2697 1 7 . 1 1 48 48 LEU H H 48 8.662 8.662 8.212 0.450 26649 2698 1 7 . 1 1 49 49 THR N N 49 115.775 115.775 115.071 0.704 26649 2699 1 7 . 1 1 49 49 THR HA H 49 3.611 3.611 4.018 -0.407 26649 2700 1 7 . 1 1 49 49 THR C C 49 175.507 175.507 175.069 0.438 26649 2701 1 7 . 1 1 49 49 THR CA C 49 67.651 67.651 63.844 3.807 26649 2702 1 7 . 1 1 49 49 THR CB C 49 71.174 71.174 69.329 1.845 26649 2703 1 7 . 1 1 49 49 THR H H 49 8.281 8.281 8.004 0.277 26649 2704 1 7 . 1 1 50 50 GLY N N 50 116.246 116.246 116.189 0.057 26649 2705 1 7 . 1 1 50 50 GLY C C 50 174.433 174.433 172.781 1.652 26649 2706 1 7 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.782 2.098 26649 2707 1 7 . 1 1 50 50 GLY H H 50 9.211 9.211 8.920 0.291 26649 2708 1 7 . 1 1 51 51 ASP N N 51 121.695 121.695 121.977 -0.282 26649 2709 1 7 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.677 -0.102 26649 2710 1 7 . 1 1 51 51 ASP C C 51 175.571 175.571 175.386 0.185 26649 2711 1 7 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.390 5.061 26649 2712 1 7 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.928 2.541 26649 2713 1 7 . 1 1 51 51 ASP H H 51 8.114 8.114 7.651 0.463 26649 2714 1 7 . 1 1 52 52 LYS N N 52 121.380 121.380 125.249 -3.869 26649 2715 1 7 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.473 0.621 26649 2716 1 7 . 1 1 52 52 LYS C C 52 176.630 176.630 175.889 0.741 26649 2717 1 7 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.506 0.586 26649 2718 1 7 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.264 4.643 26649 2719 1 7 . 1 1 52 52 LYS H H 52 8.504 8.504 8.138 0.366 26649 2720 1 7 . 1 1 53 53 VAL N N 53 115.067 115.067 117.556 -2.489 26649 2721 1 7 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.193 -0.010 26649 2722 1 7 . 1 1 53 53 VAL C C 53 174.865 174.865 174.137 0.728 26649 2723 1 7 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.190 0.852 26649 2724 1 7 . 1 1 53 53 VAL CB C 53 38.523 38.523 36.407 2.116 26649 2725 1 7 . 1 1 53 53 VAL H H 53 8.730 8.730 9.141 -0.411 26649 2726 1 7 . 1 1 54 54 ARG N N 54 118.772 118.772 121.148 -2.376 26649 2727 1 7 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.689 0.205 26649 2728 1 7 . 1 1 54 54 ARG C C 54 175.140 175.140 175.531 -0.391 26649 2729 1 7 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.609 1.027 26649 2730 1 7 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.215 6.328 26649 2731 1 7 . 1 1 54 54 ARG H H 54 8.208 8.208 8.137 0.071 26649 2732 1 7 . 1 1 55 55 VAL N N 55 121.560 121.560 127.683 -6.123 26649 2733 1 7 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.133 -0.391 26649 2734 1 7 . 1 1 55 55 VAL C C 55 173.816 173.816 175.339 -1.523 26649 2735 1 7 . 1 1 55 55 VAL CA C 55 60.803 60.803 61.005 -0.202 26649 2736 1 7 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.103 3.618 26649 2737 1 7 . 1 1 55 55 VAL H H 55 8.961 8.961 9.347 -0.386 26649 2738 1 7 . 1 1 56 56 GLU N N 56 126.127 126.127 125.221 0.906 26649 2739 1 7 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.232 -0.329 26649 2740 1 7 . 1 1 56 56 GLU C C 56 176.010 176.010 176.058 -0.048 26649 2741 1 7 . 1 1 56 56 GLU CA C 56 55.767 55.767 53.872 1.895 26649 2742 1 7 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.734 4.496 26649 2743 1 7 . 1 1 56 56 GLU H H 56 9.296 9.296 8.345 0.951 26649 2744 1 7 . 1 1 57 57 LEU N N 57 129.725 129.725 126.272 3.453 26649 2745 1 7 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.593 0.138 26649 2746 1 7 . 1 1 57 57 LEU C C 57 175.520 175.520 177.724 -2.204 26649 2747 1 7 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.986 2.201 26649 2748 1 7 . 1 1 57 57 LEU CB C 57 46.040 46.040 42.605 3.436 26649 2749 1 7 . 1 1 57 57 LEU H H 57 9.057 9.057 8.760 0.297 26649 2750 1 7 . 1 1 58 58 THR N N 58 114.373 114.373 114.546 -0.173 26649 2751 1 7 . 1 1 58 58 THR HA H 58 4.684 4.684 4.376 0.308 26649 2752 1 7 . 1 1 58 58 THR CA C 58 59.837 59.837 59.999 -0.162 26649 2753 1 7 . 1 1 58 58 THR CB C 58 71.774 71.774 68.422 3.352 26649 2754 1 7 . 1 1 58 58 THR H H 58 8.645 8.645 7.884 0.761 26649 2755 1 7 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.190 -0.074 26649 2756 1 7 . 1 1 59 59 PRO C C 59 176.717 176.717 176.585 0.132 26649 2757 1 7 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.959 2.370 26649 2758 1 7 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.359 5.037 26649 2759 1 7 . 1 1 60 60 TYR N N 60 113.100 113.100 113.790 -0.690 26649 2760 1 7 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.448 -0.015 26649 2761 1 7 . 1 1 60 60 TYR C C 60 175.684 175.684 176.139 -0.455 26649 2762 1 7 . 1 1 60 60 TYR CA C 60 59.054 59.054 56.426 2.628 26649 2763 1 7 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.189 4.156 26649 2764 1 7 . 1 1 60 60 TYR H H 60 7.057 7.057 6.510 0.547 26649 2765 1 7 . 1 1 61 61 ASP N N 61 118.239 118.239 118.415 -0.176 26649 2766 1 7 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.270 0.437 26649 2767 1 7 . 1 1 61 61 ASP C C 61 175.155 175.155 176.154 -0.999 26649 2768 1 7 . 1 1 61 61 ASP CA C 61 57.236 57.236 55.135 2.101 26649 2769 1 7 . 1 1 61 61 ASP CB C 61 45.118 45.118 39.670 5.448 26649 2770 1 7 . 1 1 61 61 ASP H H 61 7.349 7.349 8.154 -0.805 26649 2771 1 7 . 1 1 62 62 LEU N N 62 124.571 124.571 117.771 6.800 26649 2772 1 7 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.514 -0.114 26649 2773 1 7 . 1 1 62 62 LEU C C 62 176.534 176.534 177.998 -1.464 26649 2774 1 7 . 1 1 62 62 LEU CA C 62 57.064 57.064 56.313 0.751 26649 2775 1 7 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.872 3.594 26649 2776 1 7 . 1 1 62 62 LEU H H 62 8.713 8.713 8.270 0.443 26649 2777 1 7 . 1 1 63 63 SER N N 63 113.199 113.199 112.825 0.374 26649 2778 1 7 . 1 1 63 63 SER HA H 63 4.672 4.672 4.588 0.084 26649 2779 1 7 . 1 1 63 63 SER C C 63 174.199 174.199 173.431 0.768 26649 2780 1 7 . 1 1 63 63 SER CA C 63 60.593 60.593 57.742 2.851 26649 2781 1 7 . 1 1 63 63 SER CB C 63 69.233 69.233 64.205 5.028 26649 2782 1 7 . 1 1 63 63 SER H H 63 8.515 8.515 8.506 0.009 26649 2783 1 7 . 1 1 64 64 LYS N N 64 122.388 122.388 120.796 1.592 26649 2784 1 7 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.094 0.369 26649 2785 1 7 . 1 1 64 64 LYS C C 64 174.870 174.870 175.505 -0.635 26649 2786 1 7 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.894 0.695 26649 2787 1 7 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.299 4.860 26649 2788 1 7 . 1 1 64 64 LYS H H 64 7.646 7.646 7.869 -0.223 26649 2789 1 7 . 1 1 65 65 GLY N N 65 103.185 103.185 108.129 -4.944 26649 2790 1 7 . 1 1 65 65 GLY C C 65 171.434 171.434 172.416 -0.982 26649 2791 1 7 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.070 3.215 26649 2792 1 7 . 1 1 65 65 GLY H H 65 7.803 7.803 9.013 -1.210 26649 2793 1 7 . 1 1 66 66 ARG N N 66 118.652 118.652 117.164 1.488 26649 2794 1 7 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.828 0.138 26649 2795 1 7 . 1 1 66 66 ARG C C 66 175.315 175.315 174.694 0.621 26649 2796 1 7 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.369 0.566 26649 2797 1 7 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.925 3.095 26649 2798 1 7 . 1 1 66 66 ARG H H 66 8.468 8.468 8.324 0.144 26649 2799 1 7 . 1 1 67 67 ILE N N 67 125.685 125.685 120.858 4.827 26649 2800 1 7 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.702 -0.179 26649 2801 1 7 . 1 1 67 67 ILE C C 67 175.888 175.888 175.499 0.389 26649 2802 1 7 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.618 4.360 26649 2803 1 7 . 1 1 67 67 ILE CB C 67 43.673 43.673 39.939 3.734 26649 2804 1 7 . 1 1 67 67 ILE H H 67 9.078 9.078 8.068 1.010 26649 2805 1 7 . 1 1 68 68 THR N N 68 117.575 117.575 122.775 -5.200 26649 2806 1 7 . 1 1 68 68 THR HA H 68 4.485 4.485 4.406 0.079 26649 2807 1 7 . 1 1 68 68 THR C C 68 174.989 174.989 172.869 2.120 26649 2808 1 7 . 1 1 68 68 THR CA C 68 64.174 64.174 62.186 1.988 26649 2809 1 7 . 1 1 68 68 THR CB C 68 72.920 72.920 70.015 2.905 26649 2810 1 7 . 1 1 68 68 THR H H 68 8.649 8.649 8.431 0.218 26649 2811 1 7 . 1 1 69 69 TYR N N 69 122.143 122.143 123.001 -0.858 26649 2812 1 7 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.342 0.249 26649 2813 1 7 . 1 1 69 69 TYR C C 69 172.880 172.880 172.887 -0.007 26649 2814 1 7 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.028 4.776 26649 2815 1 7 . 1 1 69 69 TYR CB C 69 45.410 45.410 38.223 7.187 26649 2816 1 7 . 1 1 69 69 TYR H H 69 7.538 7.538 8.223 -0.685 26649 2817 1 7 . 1 1 70 70 ARG N N 70 126.202 126.202 124.726 1.476 26649 2818 1 7 . 1 1 70 70 ARG HA H 70 4.616 4.616 4.807 -0.191 26649 2819 1 7 . 1 1 70 70 ARG C C 70 173.644 173.644 174.642 -0.998 26649 2820 1 7 . 1 1 70 70 ARG CA C 70 57.871 57.871 55.327 2.544 26649 2821 1 7 . 1 1 70 70 ARG CB C 70 36.386 36.386 31.658 4.728 26649 2822 1 7 . 1 1 70 70 ARG H H 70 7.716 7.716 7.969 -0.253 26649 2823 1 7 . 1 1 71 71 ALA N N 71 128.442 128.442 127.839 0.603 26649 2824 1 7 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.678 -0.582 26649 2825 1 7 . 1 1 71 71 ALA C C 71 176.753 176.753 174.749 2.004 26649 2826 1 7 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.856 4.410 26649 2827 1 7 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.273 -1.062 26649 2828 1 7 . 1 1 71 71 ALA H H 71 8.456 8.456 9.001 -0.545 26649 2829 1 8 . 1 1 2 2 SER N N 2 116.344 116.344 116.241 0.103 26649 2830 1 8 . 1 1 2 2 SER HA H 2 4.543 4.543 4.203 0.340 26649 2831 1 8 . 1 1 2 2 SER C C 2 174.500 174.500 173.386 1.114 26649 2832 1 8 . 1 1 2 2 SER CA C 2 61.592 61.592 59.102 2.490 26649 2833 1 8 . 1 1 2 2 SER CB C 2 68.657 68.657 63.234 5.423 26649 2834 1 8 . 1 1 2 2 SER H H 2 8.756 8.756 8.256 0.500 26649 2835 1 8 . 1 1 3 3 LYS N N 3 123.531 123.531 122.634 0.897 26649 2836 1 8 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.430 -0.105 26649 2837 1 8 . 1 1 3 3 LYS C C 3 176.570 176.570 175.255 1.315 26649 2838 1 8 . 1 1 3 3 LYS CA C 3 59.818 59.818 55.348 4.470 26649 2839 1 8 . 1 1 3 3 LYS CB C 3 37.493 37.493 34.166 3.327 26649 2840 1 8 . 1 1 3 3 LYS H H 3 8.582 8.582 8.400 0.182 26649 2841 1 8 . 1 1 4 4 GLU N N 4 121.085 121.085 120.925 0.160 26649 2842 1 8 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.229 0.113 26649 2843 1 8 . 1 1 4 4 GLU C C 4 176.071 176.071 176.204 -0.133 26649 2844 1 8 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.006 3.917 26649 2845 1 8 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.027 4.393 26649 2846 1 8 . 1 1 4 4 GLU H H 4 8.488 8.488 8.335 0.153 26649 2847 1 8 . 1 1 5 5 ASP N N 5 120.965 120.965 119.681 1.284 26649 2848 1 8 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.398 0.256 26649 2849 1 8 . 1 1 5 5 ASP C C 5 175.760 175.760 175.443 0.317 26649 2850 1 8 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.148 3.114 26649 2851 1 8 . 1 1 5 5 ASP CB C 5 45.605 45.605 40.918 4.687 26649 2852 1 8 . 1 1 5 5 ASP H H 5 8.235 8.235 8.423 -0.188 26649 2853 1 8 . 1 1 6 6 SER N N 6 114.678 114.678 112.997 1.681 26649 2854 1 8 . 1 1 6 6 SER HA H 6 4.783 4.783 4.218 0.565 26649 2855 1 8 . 1 1 6 6 SER C C 6 173.417 173.417 173.279 0.138 26649 2856 1 8 . 1 1 6 6 SER CA C 6 62.802 62.802 58.384 4.418 26649 2857 1 8 . 1 1 6 6 SER CB C 6 69.115 69.115 64.219 4.896 26649 2858 1 8 . 1 1 6 6 SER H H 6 8.018 8.018 7.256 0.762 26649 2859 1 8 . 1 1 7 7 PHE N N 7 119.686 119.686 119.707 -0.021 26649 2860 1 8 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.824 0.037 26649 2861 1 8 . 1 1 7 7 PHE C C 7 173.245 173.245 174.041 -0.796 26649 2862 1 8 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.169 1.253 26649 2863 1 8 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.995 0.735 26649 2864 1 8 . 1 1 7 7 PHE H H 7 8.612 8.612 7.961 0.651 26649 2865 1 8 . 1 1 8 8 GLU N N 8 119.627 119.627 121.083 -1.456 26649 2866 1 8 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.325 0.070 26649 2867 1 8 . 1 1 8 8 GLU C C 8 176.059 176.059 175.583 0.476 26649 2868 1 8 . 1 1 8 8 GLU CA C 8 56.352 56.352 54.571 1.781 26649 2869 1 8 . 1 1 8 8 GLU CB C 8 37.409 37.409 32.488 4.921 26649 2870 1 8 . 1 1 8 8 GLU H H 8 8.362 8.362 8.798 -0.436 26649 2871 1 8 . 1 1 9 9 MET N N 9 121.547 121.547 121.708 -0.161 26649 2872 1 8 . 1 1 9 9 MET HA H 9 4.796 4.796 4.707 0.089 26649 2873 1 8 . 1 1 9 9 MET C C 9 174.247 174.247 173.963 0.284 26649 2874 1 8 . 1 1 9 9 MET CA C 9 57.733 57.733 55.417 2.316 26649 2875 1 8 . 1 1 9 9 MET CB C 9 42.776 42.776 37.059 5.717 26649 2876 1 8 . 1 1 9 9 MET H H 9 8.895 8.895 8.799 0.096 26649 2877 1 8 . 1 1 10 10 GLU N N 10 122.112 122.112 124.851 -2.739 26649 2878 1 8 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.263 -0.275 26649 2879 1 8 . 1 1 10 10 GLU C C 10 176.016 176.016 176.792 -0.776 26649 2880 1 8 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.897 0.788 26649 2881 1 8 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.720 5.072 26649 2882 1 8 . 1 1 10 10 GLU H H 10 8.820 8.820 8.671 0.149 26649 2883 1 8 . 1 1 11 11 GLY N N 11 106.766 106.766 109.869 -3.103 26649 2884 1 8 . 1 1 11 11 GLY C C 11 171.420 171.420 172.688 -1.268 26649 2885 1 8 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.215 2.893 26649 2886 1 8 . 1 1 11 11 GLY H H 11 8.771 8.771 8.924 -0.153 26649 2887 1 8 . 1 1 12 12 THR N N 12 116.018 116.018 115.581 0.437 26649 2888 1 8 . 1 1 12 12 THR HA H 12 5.118 5.118 5.099 0.019 26649 2889 1 8 . 1 1 12 12 THR C C 12 174.240 174.240 173.533 0.707 26649 2890 1 8 . 1 1 12 12 THR CA C 12 64.101 64.101 60.751 3.350 26649 2891 1 8 . 1 1 12 12 THR CB C 12 74.309 74.309 72.040 2.269 26649 2892 1 8 . 1 1 12 12 THR H H 12 8.434 8.434 8.456 -0.022 26649 2893 1 8 . 1 1 13 13 VAL N N 13 127.555 127.555 125.193 2.362 26649 2894 1 8 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.522 -0.503 26649 2895 1 8 . 1 1 13 13 VAL C C 13 176.464 176.464 174.358 2.106 26649 2896 1 8 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.786 5.881 26649 2897 1 8 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.054 3.947 26649 2898 1 8 . 1 1 13 13 VAL H H 13 9.177 9.177 8.252 0.925 26649 2899 1 8 . 1 1 14 14 VAL N N 14 124.300 124.300 125.605 -1.305 26649 2900 1 8 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.337 0.322 26649 2901 1 8 . 1 1 14 14 VAL C C 14 175.424 175.424 174.148 1.276 26649 2902 1 8 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.282 2.735 26649 2903 1 8 . 1 1 14 14 VAL CB C 14 37.769 37.769 31.646 6.123 26649 2904 1 8 . 1 1 14 14 VAL H H 14 9.240 9.240 7.890 1.350 26649 2905 1 8 . 1 1 15 15 ASP N N 15 117.873 117.873 123.595 -5.722 26649 2906 1 8 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.718 0.282 26649 2907 1 8 . 1 1 15 15 ASP C C 15 175.239 175.239 174.517 0.722 26649 2908 1 8 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.759 1.726 26649 2909 1 8 . 1 1 15 15 ASP CB C 15 47.198 47.198 43.833 3.365 26649 2910 1 8 . 1 1 15 15 ASP H H 15 7.912 7.912 8.106 -0.194 26649 2911 1 8 . 1 1 16 16 THR N N 16 115.850 115.850 116.337 -0.487 26649 2912 1 8 . 1 1 16 16 THR HA H 16 4.415 4.415 4.858 -0.443 26649 2913 1 8 . 1 1 16 16 THR C C 16 172.752 172.752 173.755 -1.003 26649 2914 1 8 . 1 1 16 16 THR CA C 16 64.002 64.002 61.427 2.575 26649 2915 1 8 . 1 1 16 16 THR CB C 16 73.042 73.042 70.106 2.936 26649 2916 1 8 . 1 1 16 16 THR H H 16 8.666 8.666 8.453 0.213 26649 2917 1 8 . 1 1 17 17 LEU N N 17 124.937 124.937 125.616 -0.679 26649 2918 1 8 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.931 -0.234 26649 2919 1 8 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.606 1.648 26649 2920 1 8 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.706 0.796 26649 2921 1 8 . 1 1 17 17 LEU H H 17 7.894 7.894 8.548 -0.654 26649 2922 1 8 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.610 -0.238 26649 2923 1 8 . 1 1 18 18 PRO C C 18 175.846 175.846 176.295 -0.449 26649 2924 1 8 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.255 2.972 26649 2925 1 8 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.573 4.380 26649 2926 1 8 . 1 1 19 19 ASN N N 19 114.919 114.919 116.663 -1.744 26649 2927 1 8 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.476 -0.131 26649 2928 1 8 . 1 1 19 19 ASN C C 19 175.137 175.137 174.157 0.980 26649 2929 1 8 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.540 3.241 26649 2930 1 8 . 1 1 19 19 ASN CB C 19 41.332 41.332 38.130 3.203 26649 2931 1 8 . 1 1 19 19 ASN H H 19 8.714 8.714 8.728 -0.014 26649 2932 1 8 . 1 1 20 20 THR N N 20 110.616 110.616 108.412 2.204 26649 2933 1 8 . 1 1 20 20 THR HA H 20 3.881 3.881 3.819 0.062 26649 2934 1 8 . 1 1 20 20 THR C C 20 172.384 172.384 172.922 -0.538 26649 2935 1 8 . 1 1 20 20 THR CA C 20 65.985 65.985 63.058 2.927 26649 2936 1 8 . 1 1 20 20 THR CB C 20 70.012 70.012 67.041 2.971 26649 2937 1 8 . 1 1 20 20 THR H H 20 8.579 8.579 8.199 0.380 26649 2938 1 8 . 1 1 21 21 MET N N 21 115.910 115.910 115.433 0.477 26649 2939 1 8 . 1 1 21 21 MET HA H 21 5.074 5.074 4.564 0.510 26649 2940 1 8 . 1 1 21 21 MET C C 21 175.080 175.080 173.168 1.912 26649 2941 1 8 . 1 1 21 21 MET CA C 21 54.347 54.347 54.075 0.272 26649 2942 1 8 . 1 1 21 21 MET CB C 21 38.359 38.359 36.287 2.072 26649 2943 1 8 . 1 1 21 21 MET H H 21 6.314 6.314 6.935 -0.621 26649 2944 1 8 . 1 1 22 22 PHE N N 22 115.989 115.989 115.429 0.560 26649 2945 1 8 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.065 -0.068 26649 2946 1 8 . 1 1 22 22 PHE C C 22 174.953 174.953 173.838 1.115 26649 2947 1 8 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.396 2.095 26649 2948 1 8 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.215 5.001 26649 2949 1 8 . 1 1 22 22 PHE H H 22 8.744 8.744 8.810 -0.066 26649 2950 1 8 . 1 1 23 23 ARG N N 23 122.523 122.523 121.548 0.975 26649 2951 1 8 . 1 1 23 23 ARG HA H 23 5.236 5.236 4.921 0.315 26649 2952 1 8 . 1 1 23 23 ARG C C 23 175.828 175.828 174.253 1.575 26649 2953 1 8 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.030 1.039 26649 2954 1 8 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.029 2.809 26649 2955 1 8 . 1 1 23 23 ARG H H 23 8.661 8.661 8.334 0.327 26649 2956 1 8 . 1 1 24 24 VAL N N 24 126.448 126.448 125.526 0.922 26649 2957 1 8 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.951 -0.267 26649 2958 1 8 . 1 1 24 24 VAL C C 24 173.637 173.637 174.165 -0.528 26649 2959 1 8 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.492 3.279 26649 2960 1 8 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.497 5.032 26649 2961 1 8 . 1 1 24 24 VAL H H 24 9.342 9.342 8.939 0.403 26649 2962 1 8 . 1 1 25 25 GLU N N 25 128.611 128.611 128.335 0.276 26649 2963 1 8 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.586 0.127 26649 2964 1 8 . 1 1 25 25 GLU C C 25 176.160 176.160 175.122 1.038 26649 2965 1 8 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.087 1.294 26649 2966 1 8 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.494 3.677 26649 2967 1 8 . 1 1 25 25 GLU H H 25 9.125 9.125 9.273 -0.148 26649 2968 1 8 . 1 1 26 26 LEU N N 26 129.185 129.185 124.977 4.208 26649 2969 1 8 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.761 0.068 26649 2970 1 8 . 1 1 26 26 LEU C C 26 179.291 179.291 177.170 2.121 26649 2971 1 8 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.722 3.416 26649 2972 1 8 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.179 5.115 26649 2973 1 8 . 1 1 26 26 LEU H H 26 9.305 9.305 8.463 0.842 26649 2974 1 8 . 1 1 27 27 GLU N N 27 119.943 119.943 120.808 -0.865 26649 2975 1 8 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.900 0.238 26649 2976 1 8 . 1 1 27 27 GLU C C 27 175.981 175.981 176.466 -0.485 26649 2977 1 8 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.684 1.661 26649 2978 1 8 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.818 5.204 26649 2979 1 8 . 1 1 27 27 GLU H H 27 8.624 8.624 8.556 0.068 26649 2980 1 8 . 1 1 28 28 ASN N N 28 114.077 114.077 115.516 -1.439 26649 2981 1 8 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.585 0.051 26649 2982 1 8 . 1 1 28 28 ASN C C 28 176.489 176.489 175.338 1.151 26649 2983 1 8 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.203 2.106 26649 2984 1 8 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.572 4.615 26649 2985 1 8 . 1 1 28 28 ASN H H 28 7.268 7.268 7.942 -0.674 26649 2986 1 8 . 1 1 29 29 GLY N N 29 108.202 108.202 104.983 3.219 26649 2987 1 8 . 1 1 29 29 GLY C C 29 174.446 174.446 173.688 0.758 26649 2988 1 8 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.826 2.496 26649 2989 1 8 . 1 1 29 29 GLY H H 29 8.367 8.367 7.830 0.537 26649 2990 1 8 . 1 1 30 30 HIS N N 30 119.105 119.105 120.387 -1.282 26649 2991 1 8 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.013 -0.298 26649 2992 1 8 . 1 1 30 30 HIS C C 30 173.468 173.468 173.006 0.462 26649 2993 1 8 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.729 3.324 26649 2994 1 8 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.542 0.167 26649 2995 1 8 . 1 1 30 30 HIS H H 30 7.954 7.954 8.548 -0.594 26649 2996 1 8 . 1 1 31 31 VAL N N 31 124.046 124.046 121.617 2.429 26649 2997 1 8 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.219 0.832 26649 2998 1 8 . 1 1 31 31 VAL C C 31 176.209 176.209 173.559 2.650 26649 2999 1 8 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.685 1.885 26649 3000 1 8 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.881 0.173 26649 3001 1 8 . 1 1 31 31 VAL H H 31 8.601 8.601 8.187 0.414 26649 3002 1 8 . 1 1 32 32 VAL N N 32 120.179 120.179 124.193 -4.014 26649 3003 1 8 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.402 0.384 26649 3004 1 8 . 1 1 32 32 VAL C C 32 175.124 175.124 174.403 0.721 26649 3005 1 8 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.235 -0.372 26649 3006 1 8 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.149 3.680 26649 3007 1 8 . 1 1 32 32 VAL H H 32 8.966 8.966 8.868 0.098 26649 3008 1 8 . 1 1 33 33 THR N N 33 118.645 118.645 117.700 0.945 26649 3009 1 8 . 1 1 33 33 THR HA H 33 5.061 5.061 4.941 0.120 26649 3010 1 8 . 1 1 33 33 THR C C 33 174.171 174.171 172.960 1.211 26649 3011 1 8 . 1 1 33 33 THR CA C 33 65.278 65.278 61.450 3.828 26649 3012 1 8 . 1 1 33 33 THR CB C 33 72.059 72.059 70.634 1.425 26649 3013 1 8 . 1 1 33 33 THR H H 33 8.235 8.235 8.065 0.170 26649 3014 1 8 . 1 1 34 34 ALA N N 34 129.128 129.128 126.044 3.084 26649 3015 1 8 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.492 0.080 26649 3016 1 8 . 1 1 34 34 ALA C C 34 175.686 175.686 174.910 0.776 26649 3017 1 8 . 1 1 34 34 ALA CA C 34 53.056 53.056 50.707 2.349 26649 3018 1 8 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.228 2.806 26649 3019 1 8 . 1 1 34 34 ALA H H 34 9.777 9.777 9.088 0.689 26649 3020 1 8 . 1 1 35 35 HIS N N 35 116.059 116.059 114.464 1.595 26649 3021 1 8 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.248 0.263 26649 3022 1 8 . 1 1 35 35 HIS C C 35 174.302 174.302 173.930 0.372 26649 3023 1 8 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.120 2.930 26649 3024 1 8 . 1 1 35 35 HIS CB C 35 36.686 36.686 32.800 3.886 26649 3025 1 8 . 1 1 35 35 HIS H H 35 7.712 7.712 7.928 -0.216 26649 3026 1 8 . 1 1 36 36 ILE N N 36 119.551 119.551 120.882 -1.331 26649 3027 1 8 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.179 0.330 26649 3028 1 8 . 1 1 36 36 ILE C C 36 175.686 175.686 175.588 0.098 26649 3029 1 8 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.913 1.758 26649 3030 1 8 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.310 1.865 26649 3031 1 8 . 1 1 36 36 ILE H H 36 9.509 9.509 8.749 0.760 26649 3032 1 8 . 1 1 37 37 SER N N 37 120.084 120.084 119.780 0.304 26649 3033 1 8 . 1 1 37 37 SER HA H 37 4.543 4.543 4.607 -0.064 26649 3034 1 8 . 1 1 37 37 SER C C 37 175.073 175.073 176.435 -1.362 26649 3035 1 8 . 1 1 37 37 SER CA C 37 61.428 61.428 58.886 2.542 26649 3036 1 8 . 1 1 37 37 SER CB C 37 69.228 69.228 64.135 5.093 26649 3037 1 8 . 1 1 37 37 SER H H 37 8.427 8.427 8.514 -0.087 26649 3038 1 8 . 1 1 38 38 GLY N N 38 112.268 112.268 109.460 2.808 26649 3039 1 8 . 1 1 38 38 GLY C C 38 176.124 176.124 175.668 0.456 26649 3040 1 8 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.314 2.980 26649 3041 1 8 . 1 1 38 38 GLY H H 38 9.059 9.059 8.658 0.401 26649 3042 1 8 . 1 1 39 39 LYS N N 39 121.027 121.027 121.464 -0.437 26649 3043 1 8 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.960 0.151 26649 3044 1 8 . 1 1 39 39 LYS C C 39 178.155 178.155 178.226 -0.071 26649 3045 1 8 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.415 2.138 26649 3046 1 8 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.185 5.037 26649 3047 1 8 . 1 1 39 39 LYS H H 39 8.346 8.346 8.416 -0.070 26649 3048 1 8 . 1 1 40 40 MET N N 40 118.288 118.288 117.645 0.643 26649 3049 1 8 . 1 1 40 40 MET HA H 40 4.281 4.281 4.274 0.007 26649 3050 1 8 . 1 1 40 40 MET C C 40 177.179 177.179 177.379 -0.200 26649 3051 1 8 . 1 1 40 40 MET CA C 40 58.000 58.000 58.272 -0.272 26649 3052 1 8 . 1 1 40 40 MET CB C 40 36.025 36.025 32.865 3.160 26649 3053 1 8 . 1 1 40 40 MET H H 40 7.741 7.741 7.594 0.147 26649 3054 1 8 . 1 1 41 41 ARG N N 41 119.988 119.988 120.676 -0.688 26649 3055 1 8 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.115 -0.054 26649 3056 1 8 . 1 1 41 41 ARG C C 41 177.749 177.749 178.058 -0.309 26649 3057 1 8 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.030 0.506 26649 3058 1 8 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.061 2.035 26649 3059 1 8 . 1 1 41 41 ARG H H 41 7.948 7.948 8.153 -0.205 26649 3060 1 8 . 1 1 42 42 LYS N N 42 119.136 119.136 118.034 1.102 26649 3061 1 8 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.281 -0.203 26649 3062 1 8 . 1 1 42 42 LYS C C 42 176.430 176.430 178.404 -1.974 26649 3063 1 8 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.151 0.367 26649 3064 1 8 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.723 4.366 26649 3065 1 8 . 1 1 42 42 LYS H H 42 7.895 7.895 8.102 -0.207 26649 3066 1 8 . 1 1 43 43 ASN N N 43 116.823 116.823 115.905 0.918 26649 3067 1 8 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.623 0.043 26649 3068 1 8 . 1 1 43 43 ASN C C 43 174.310 174.310 175.917 -1.607 26649 3069 1 8 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.918 1.024 26649 3070 1 8 . 1 1 43 43 ASN CB C 43 43.371 43.371 39.051 4.320 26649 3071 1 8 . 1 1 43 43 ASN H H 43 7.840 7.840 7.783 0.057 26649 3072 1 8 . 1 1 44 44 TYR N N 44 118.475 118.475 116.146 2.329 26649 3073 1 8 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.131 0.226 26649 3074 1 8 . 1 1 44 44 TYR C C 44 175.072 175.072 174.598 0.474 26649 3075 1 8 . 1 1 44 44 TYR CA C 44 59.757 59.757 60.130 -0.373 26649 3076 1 8 . 1 1 44 44 TYR CB C 44 42.222 42.222 37.174 5.048 26649 3077 1 8 . 1 1 44 44 TYR H H 44 7.701 7.701 8.120 -0.419 26649 3078 1 8 . 1 1 45 45 ILE N N 45 123.061 123.061 119.047 4.014 26649 3079 1 8 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.174 -0.262 26649 3080 1 8 . 1 1 45 45 ILE C C 45 174.790 174.790 174.696 0.094 26649 3081 1 8 . 1 1 45 45 ILE CA C 45 62.935 62.935 61.260 1.675 26649 3082 1 8 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.819 1.899 26649 3083 1 8 . 1 1 45 45 ILE H H 45 7.538 7.538 7.687 -0.149 26649 3084 1 8 . 1 1 46 46 ARG N N 46 125.163 125.163 127.448 -2.285 26649 3085 1 8 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.443 -0.255 26649 3086 1 8 . 1 1 46 46 ARG C C 46 174.870 174.870 174.626 0.244 26649 3087 1 8 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.199 1.290 26649 3088 1 8 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.871 4.776 26649 3089 1 8 . 1 1 46 46 ARG H H 46 8.105 8.105 8.085 0.020 26649 3090 1 8 . 1 1 47 47 ILE N N 47 126.439 126.439 125.689 0.750 26649 3091 1 8 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.275 -0.301 26649 3092 1 8 . 1 1 47 47 ILE C C 47 173.723 173.723 174.174 -0.451 26649 3093 1 8 . 1 1 47 47 ILE CA C 47 62.212 62.212 61.141 1.071 26649 3094 1 8 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.387 2.906 26649 3095 1 8 . 1 1 47 47 ILE H H 47 8.072 8.072 8.187 -0.115 26649 3096 1 8 . 1 1 48 48 LEU N N 48 127.845 127.845 130.480 -2.635 26649 3097 1 8 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.645 0.076 26649 3098 1 8 . 1 1 48 48 LEU C C 48 177.100 177.100 175.610 1.490 26649 3099 1 8 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.735 0.907 26649 3100 1 8 . 1 1 48 48 LEU CB C 48 48.008 48.008 45.089 2.919 26649 3101 1 8 . 1 1 48 48 LEU H H 48 8.662 8.662 8.407 0.255 26649 3102 1 8 . 1 1 49 49 THR N N 49 115.775 115.775 118.380 -2.605 26649 3103 1 8 . 1 1 49 49 THR HA H 49 3.611 3.611 4.341 -0.730 26649 3104 1 8 . 1 1 49 49 THR C C 49 175.507 175.507 175.086 0.421 26649 3105 1 8 . 1 1 49 49 THR CA C 49 67.651 67.651 62.501 5.150 26649 3106 1 8 . 1 1 49 49 THR CB C 49 71.174 71.174 69.483 1.691 26649 3107 1 8 . 1 1 49 49 THR H H 49 8.281 8.281 8.263 0.018 26649 3108 1 8 . 1 1 50 50 GLY N N 50 116.246 116.246 114.890 1.356 26649 3109 1 8 . 1 1 50 50 GLY C C 50 174.433 174.433 173.090 1.343 26649 3110 1 8 . 1 1 50 50 GLY CA C 50 46.879 46.879 45.102 1.777 26649 3111 1 8 . 1 1 50 50 GLY H H 50 9.211 9.211 8.936 0.275 26649 3112 1 8 . 1 1 51 51 ASP N N 51 121.695 121.695 121.555 0.140 26649 3113 1 8 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.657 -0.082 26649 3114 1 8 . 1 1 51 51 ASP C C 51 175.571 175.571 175.204 0.367 26649 3115 1 8 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.581 4.870 26649 3116 1 8 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.025 2.445 26649 3117 1 8 . 1 1 51 51 ASP H H 51 8.114 8.114 7.708 0.406 26649 3118 1 8 . 1 1 52 52 LYS N N 52 121.380 121.380 126.181 -4.801 26649 3119 1 8 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.582 0.512 26649 3120 1 8 . 1 1 52 52 LYS C C 52 176.630 176.630 175.759 0.871 26649 3121 1 8 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.941 0.151 26649 3122 1 8 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.655 4.252 26649 3123 1 8 . 1 1 52 52 LYS H H 52 8.504 8.504 8.091 0.413 26649 3124 1 8 . 1 1 53 53 VAL N N 53 115.067 115.067 120.417 -5.350 26649 3125 1 8 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.373 -0.190 26649 3126 1 8 . 1 1 53 53 VAL C C 53 174.865 174.865 174.774 0.091 26649 3127 1 8 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.121 0.921 26649 3128 1 8 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.656 2.867 26649 3129 1 8 . 1 1 53 53 VAL H H 53 8.730 8.730 9.017 -0.287 26649 3130 1 8 . 1 1 54 54 ARG N N 54 118.772 118.772 120.331 -1.559 26649 3131 1 8 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.596 0.298 26649 3132 1 8 . 1 1 54 54 ARG C C 54 175.140 175.140 175.325 -0.185 26649 3133 1 8 . 1 1 54 54 ARG CA C 54 56.636 56.636 54.835 1.801 26649 3134 1 8 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.000 6.543 26649 3135 1 8 . 1 1 54 54 ARG H H 54 8.208 8.208 8.040 0.168 26649 3136 1 8 . 1 1 55 55 VAL N N 55 121.560 121.560 125.534 -3.974 26649 3137 1 8 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.944 -0.202 26649 3138 1 8 . 1 1 55 55 VAL C C 55 173.816 173.816 175.507 -1.691 26649 3139 1 8 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.147 0.656 26649 3140 1 8 . 1 1 55 55 VAL CB C 55 36.721 36.721 32.876 3.845 26649 3141 1 8 . 1 1 55 55 VAL H H 55 8.961 8.961 9.043 -0.082 26649 3142 1 8 . 1 1 56 56 GLU N N 56 126.127 126.127 126.781 -0.654 26649 3143 1 8 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.218 -0.315 26649 3144 1 8 . 1 1 56 56 GLU C C 56 176.010 176.010 176.019 -0.009 26649 3145 1 8 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.785 0.982 26649 3146 1 8 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.366 4.864 26649 3147 1 8 . 1 1 56 56 GLU H H 56 9.296 9.296 8.568 0.728 26649 3148 1 8 . 1 1 57 57 LEU N N 57 129.725 129.725 126.701 3.024 26649 3149 1 8 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.983 -0.252 26649 3150 1 8 . 1 1 57 57 LEU C C 57 175.520 175.520 177.070 -1.550 26649 3151 1 8 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.839 2.348 26649 3152 1 8 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.548 2.492 26649 3153 1 8 . 1 1 57 57 LEU H H 57 9.057 9.057 8.312 0.745 26649 3154 1 8 . 1 1 58 58 THR N N 58 114.373 114.373 110.736 3.637 26649 3155 1 8 . 1 1 58 58 THR HA H 58 4.684 4.684 5.020 -0.336 26649 3156 1 8 . 1 1 58 58 THR CA C 58 59.837 59.837 58.671 1.166 26649 3157 1 8 . 1 1 58 58 THR CB C 58 71.774 71.774 70.179 1.595 26649 3158 1 8 . 1 1 58 58 THR H H 58 8.645 8.645 8.050 0.595 26649 3159 1 8 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.476 -0.360 26649 3160 1 8 . 1 1 59 59 PRO C C 59 176.717 176.717 177.402 -0.685 26649 3161 1 8 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.841 2.488 26649 3162 1 8 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.758 4.638 26649 3163 1 8 . 1 1 60 60 TYR N N 60 113.100 113.100 119.487 -6.387 26649 3164 1 8 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.402 0.031 26649 3165 1 8 . 1 1 60 60 TYR C C 60 175.684 175.684 174.990 0.694 26649 3166 1 8 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.183 -0.129 26649 3167 1 8 . 1 1 60 60 TYR CB C 60 42.345 42.345 39.025 3.320 26649 3168 1 8 . 1 1 60 60 TYR H H 60 7.057 7.057 8.365 -1.308 26649 3169 1 8 . 1 1 61 61 ASP N N 61 118.239 118.239 114.321 3.918 26649 3170 1 8 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.686 0.021 26649 3171 1 8 . 1 1 61 61 ASP C C 61 175.155 175.155 175.884 -0.729 26649 3172 1 8 . 1 1 61 61 ASP CA C 61 57.236 57.236 53.625 3.611 26649 3173 1 8 . 1 1 61 61 ASP CB C 61 45.118 45.118 38.795 6.323 26649 3174 1 8 . 1 1 61 61 ASP H H 61 7.349 7.349 7.839 -0.490 26649 3175 1 8 . 1 1 62 62 LEU N N 62 124.571 124.571 121.690 2.881 26649 3176 1 8 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.121 0.279 26649 3177 1 8 . 1 1 62 62 LEU C C 62 176.534 176.534 178.666 -2.132 26649 3178 1 8 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.833 -0.769 26649 3179 1 8 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.863 3.603 26649 3180 1 8 . 1 1 62 62 LEU H H 62 8.713 8.713 8.483 0.230 26649 3181 1 8 . 1 1 63 63 SER N N 63 113.199 113.199 112.675 0.524 26649 3182 1 8 . 1 1 63 63 SER HA H 63 4.672 4.672 4.244 0.428 26649 3183 1 8 . 1 1 63 63 SER C C 63 174.199 174.199 174.201 -0.002 26649 3184 1 8 . 1 1 63 63 SER CA C 63 60.593 60.593 60.226 0.367 26649 3185 1 8 . 1 1 63 63 SER CB C 63 69.233 69.233 62.583 6.650 26649 3186 1 8 . 1 1 63 63 SER H H 63 8.515 8.515 8.237 0.278 26649 3187 1 8 . 1 1 64 64 LYS N N 64 122.388 122.388 118.256 4.132 26649 3188 1 8 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.035 0.428 26649 3189 1 8 . 1 1 64 64 LYS C C 64 174.870 174.870 175.091 -0.221 26649 3190 1 8 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.189 0.399 26649 3191 1 8 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.711 4.448 26649 3192 1 8 . 1 1 64 64 LYS H H 64 7.646 7.646 7.928 -0.282 26649 3193 1 8 . 1 1 65 65 GLY N N 65 103.185 103.185 108.556 -5.371 26649 3194 1 8 . 1 1 65 65 GLY C C 65 171.434 171.434 171.965 -0.531 26649 3195 1 8 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.465 2.820 26649 3196 1 8 . 1 1 65 65 GLY H H 65 7.803 7.803 8.623 -0.820 26649 3197 1 8 . 1 1 66 66 ARG N N 66 118.652 118.652 116.920 1.732 26649 3198 1 8 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.130 0.836 26649 3199 1 8 . 1 1 66 66 ARG C C 66 175.315 175.315 174.384 0.931 26649 3200 1 8 . 1 1 66 66 ARG CA C 66 54.935 54.935 53.860 1.075 26649 3201 1 8 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.569 3.451 26649 3202 1 8 . 1 1 66 66 ARG H H 66 8.468 8.468 8.178 0.290 26649 3203 1 8 . 1 1 67 67 ILE N N 67 125.685 125.685 120.130 5.555 26649 3204 1 8 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.953 -0.430 26649 3205 1 8 . 1 1 67 67 ILE C C 67 175.888 175.888 175.782 0.106 26649 3206 1 8 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.488 4.490 26649 3207 1 8 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.392 3.281 26649 3208 1 8 . 1 1 67 67 ILE H H 67 9.078 9.078 7.829 1.249 26649 3209 1 8 . 1 1 68 68 THR N N 68 117.575 117.575 121.450 -3.875 26649 3210 1 8 . 1 1 68 68 THR HA H 68 4.485 4.485 4.455 0.030 26649 3211 1 8 . 1 1 68 68 THR C C 68 174.989 174.989 173.321 1.668 26649 3212 1 8 . 1 1 68 68 THR CA C 68 64.174 64.174 61.878 2.296 26649 3213 1 8 . 1 1 68 68 THR CB C 68 72.920 72.920 70.110 2.810 26649 3214 1 8 . 1 1 68 68 THR H H 68 8.649 8.649 8.308 0.341 26649 3215 1 8 . 1 1 69 69 TYR N N 69 122.143 122.143 123.870 -1.727 26649 3216 1 8 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.340 0.251 26649 3217 1 8 . 1 1 69 69 TYR C C 69 172.880 172.880 173.416 -0.536 26649 3218 1 8 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.353 4.451 26649 3219 1 8 . 1 1 69 69 TYR CB C 69 45.410 45.410 38.926 6.484 26649 3220 1 8 . 1 1 69 69 TYR H H 69 7.538 7.538 8.366 -0.828 26649 3221 1 8 . 1 1 70 70 ARG N N 70 126.202 126.202 124.391 1.811 26649 3222 1 8 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.234 -0.618 26649 3223 1 8 . 1 1 70 70 ARG C C 70 173.644 173.644 174.220 -0.576 26649 3224 1 8 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.934 2.937 26649 3225 1 8 . 1 1 70 70 ARG CB C 70 36.386 36.386 32.357 4.029 26649 3226 1 8 . 1 1 70 70 ARG H H 70 7.716 7.716 7.963 -0.247 26649 3227 1 8 . 1 1 71 71 ALA N N 71 128.442 128.442 123.069 5.373 26649 3228 1 8 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.669 -0.573 26649 3229 1 8 . 1 1 71 71 ALA C C 71 176.753 176.753 175.903 0.850 26649 3230 1 8 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.787 4.479 26649 3231 1 8 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.899 -0.688 26649 3232 1 8 . 1 1 71 71 ALA H H 71 8.456 8.456 9.138 -0.682 26649 3233 1 9 . 1 1 2 2 SER N N 2 116.344 116.344 114.132 2.212 26649 3234 1 9 . 1 1 2 2 SER HA H 2 4.543 4.543 4.482 0.061 26649 3235 1 9 . 1 1 2 2 SER C C 2 174.500 174.500 173.843 0.657 26649 3236 1 9 . 1 1 2 2 SER CA C 2 61.592 61.592 58.222 3.370 26649 3237 1 9 . 1 1 2 2 SER CB C 2 68.657 68.657 63.442 5.215 26649 3238 1 9 . 1 1 2 2 SER H H 2 8.756 8.756 7.998 0.758 26649 3239 1 9 . 1 1 3 3 LYS N N 3 123.531 123.531 122.967 0.564 26649 3240 1 9 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.468 -0.143 26649 3241 1 9 . 1 1 3 3 LYS C C 3 176.570 176.570 175.831 0.739 26649 3242 1 9 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.733 3.086 26649 3243 1 9 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.825 4.668 26649 3244 1 9 . 1 1 3 3 LYS H H 3 8.582 8.582 7.978 0.604 26649 3245 1 9 . 1 1 4 4 GLU N N 4 121.085 121.085 124.451 -3.366 26649 3246 1 9 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.398 -0.056 26649 3247 1 9 . 1 1 4 4 GLU C C 4 176.071 176.071 175.200 0.871 26649 3248 1 9 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.023 3.900 26649 3249 1 9 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.892 3.528 26649 3250 1 9 . 1 1 4 4 GLU H H 4 8.488 8.488 8.396 0.092 26649 3251 1 9 . 1 1 5 5 ASP N N 5 120.965 120.965 120.393 0.572 26649 3252 1 9 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.559 0.095 26649 3253 1 9 . 1 1 5 5 ASP C C 5 175.760 175.760 175.408 0.352 26649 3254 1 9 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.579 2.683 26649 3255 1 9 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.154 4.451 26649 3256 1 9 . 1 1 5 5 ASP H H 5 8.235 8.235 8.431 -0.196 26649 3257 1 9 . 1 1 6 6 SER N N 6 114.678 114.678 114.567 0.111 26649 3258 1 9 . 1 1 6 6 SER HA H 6 4.783 4.783 4.256 0.527 26649 3259 1 9 . 1 1 6 6 SER C C 6 173.417 173.417 173.407 0.010 26649 3260 1 9 . 1 1 6 6 SER CA C 6 62.802 62.802 58.838 3.964 26649 3261 1 9 . 1 1 6 6 SER CB C 6 69.115 69.115 64.208 4.907 26649 3262 1 9 . 1 1 6 6 SER H H 6 8.018 8.018 7.664 0.354 26649 3263 1 9 . 1 1 7 7 PHE N N 7 119.686 119.686 119.499 0.187 26649 3264 1 9 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.756 0.105 26649 3265 1 9 . 1 1 7 7 PHE C C 7 173.245 173.245 173.753 -0.508 26649 3266 1 9 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.378 1.044 26649 3267 1 9 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.041 1.689 26649 3268 1 9 . 1 1 7 7 PHE H H 7 8.612 8.612 8.146 0.466 26649 3269 1 9 . 1 1 8 8 GLU N N 8 119.627 119.627 123.527 -3.900 26649 3270 1 9 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.965 0.430 26649 3271 1 9 . 1 1 8 8 GLU C C 8 176.059 176.059 175.666 0.393 26649 3272 1 9 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.272 1.080 26649 3273 1 9 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.772 5.637 26649 3274 1 9 . 1 1 8 8 GLU H H 8 8.362 8.362 8.745 -0.383 26649 3275 1 9 . 1 1 9 9 MET N N 9 121.547 121.547 122.093 -0.546 26649 3276 1 9 . 1 1 9 9 MET HA H 9 4.796 4.796 4.714 0.082 26649 3277 1 9 . 1 1 9 9 MET C C 9 174.247 174.247 174.011 0.236 26649 3278 1 9 . 1 1 9 9 MET CA C 9 57.733 57.733 55.812 1.921 26649 3279 1 9 . 1 1 9 9 MET CB C 9 42.776 42.776 36.331 6.446 26649 3280 1 9 . 1 1 9 9 MET H H 9 8.895 8.895 8.626 0.269 26649 3281 1 9 . 1 1 10 10 GLU N N 10 122.112 122.112 125.492 -3.380 26649 3282 1 9 . 1 1 10 10 GLU HA H 10 4.988 4.988 4.998 -0.010 26649 3283 1 9 . 1 1 10 10 GLU C C 10 176.016 176.016 176.181 -0.165 26649 3284 1 9 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.431 0.255 26649 3285 1 9 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.055 4.737 26649 3286 1 9 . 1 1 10 10 GLU H H 10 8.820 8.820 8.652 0.168 26649 3287 1 9 . 1 1 11 11 GLY N N 11 106.766 106.766 109.885 -3.119 26649 3288 1 9 . 1 1 11 11 GLY C C 11 171.420 171.420 172.496 -1.076 26649 3289 1 9 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.279 2.829 26649 3290 1 9 . 1 1 11 11 GLY H H 11 8.771 8.771 8.986 -0.215 26649 3291 1 9 . 1 1 12 12 THR N N 12 116.018 116.018 115.901 0.117 26649 3292 1 9 . 1 1 12 12 THR HA H 12 5.118 5.118 5.128 -0.010 26649 3293 1 9 . 1 1 12 12 THR C C 12 174.240 174.240 173.676 0.564 26649 3294 1 9 . 1 1 12 12 THR CA C 12 64.101 64.101 60.890 3.211 26649 3295 1 9 . 1 1 12 12 THR CB C 12 74.309 74.309 72.471 1.838 26649 3296 1 9 . 1 1 12 12 THR H H 12 8.434 8.434 8.568 -0.134 26649 3297 1 9 . 1 1 13 13 VAL N N 13 127.555 127.555 124.826 2.729 26649 3298 1 9 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.255 -0.236 26649 3299 1 9 . 1 1 13 13 VAL C C 13 176.464 176.464 174.199 2.265 26649 3300 1 9 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.831 5.835 26649 3301 1 9 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.455 4.546 26649 3302 1 9 . 1 1 13 13 VAL H H 13 9.177 9.177 8.337 0.840 26649 3303 1 9 . 1 1 14 14 VAL N N 14 124.300 124.300 124.895 -0.595 26649 3304 1 9 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.637 0.022 26649 3305 1 9 . 1 1 14 14 VAL C C 14 175.424 175.424 174.855 0.569 26649 3306 1 9 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.123 2.894 26649 3307 1 9 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.773 4.996 26649 3308 1 9 . 1 1 14 14 VAL H H 14 9.240 9.240 8.117 1.123 26649 3309 1 9 . 1 1 15 15 ASP N N 15 117.873 117.873 124.375 -6.502 26649 3310 1 9 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.695 0.305 26649 3311 1 9 . 1 1 15 15 ASP C C 15 175.239 175.239 174.392 0.847 26649 3312 1 9 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.457 2.028 26649 3313 1 9 . 1 1 15 15 ASP CB C 15 47.198 47.198 43.414 3.784 26649 3314 1 9 . 1 1 15 15 ASP H H 15 7.912 7.912 8.290 -0.378 26649 3315 1 9 . 1 1 16 16 THR N N 16 115.850 115.850 117.947 -2.097 26649 3316 1 9 . 1 1 16 16 THR HA H 16 4.415 4.415 4.650 -0.235 26649 3317 1 9 . 1 1 16 16 THR C C 16 172.752 172.752 173.479 -0.727 26649 3318 1 9 . 1 1 16 16 THR CA C 16 64.002 64.002 60.782 3.220 26649 3319 1 9 . 1 1 16 16 THR CB C 16 73.042 73.042 69.913 3.128 26649 3320 1 9 . 1 1 16 16 THR H H 16 8.666 8.666 8.336 0.330 26649 3321 1 9 . 1 1 17 17 LEU N N 17 124.937 124.937 127.671 -2.734 26649 3322 1 9 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.798 -0.101 26649 3323 1 9 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.991 1.263 26649 3324 1 9 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.286 1.216 26649 3325 1 9 . 1 1 17 17 LEU H H 17 7.894 7.894 8.360 -0.466 26649 3326 1 9 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.570 -0.198 26649 3327 1 9 . 1 1 18 18 PRO C C 18 175.846 175.846 175.838 0.008 26649 3328 1 9 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.199 3.028 26649 3329 1 9 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.308 4.645 26649 3330 1 9 . 1 1 19 19 ASN N N 19 114.919 114.919 116.723 -1.804 26649 3331 1 9 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.493 -0.148 26649 3332 1 9 . 1 1 19 19 ASN C C 19 175.137 175.137 174.159 0.978 26649 3333 1 9 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.362 3.419 26649 3334 1 9 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.403 3.929 26649 3335 1 9 . 1 1 19 19 ASN H H 19 8.714 8.714 8.861 -0.147 26649 3336 1 9 . 1 1 20 20 THR N N 20 110.616 110.616 107.469 3.147 26649 3337 1 9 . 1 1 20 20 THR HA H 20 3.881 3.881 3.854 0.027 26649 3338 1 9 . 1 1 20 20 THR C C 20 172.384 172.384 172.996 -0.612 26649 3339 1 9 . 1 1 20 20 THR CA C 20 65.985 65.985 63.544 2.441 26649 3340 1 9 . 1 1 20 20 THR CB C 20 70.012 70.012 67.431 2.581 26649 3341 1 9 . 1 1 20 20 THR H H 20 8.579 8.579 8.228 0.351 26649 3342 1 9 . 1 1 21 21 MET N N 21 115.910 115.910 117.079 -1.169 26649 3343 1 9 . 1 1 21 21 MET HA H 21 5.074 5.074 4.391 0.683 26649 3344 1 9 . 1 1 21 21 MET C C 21 175.080 175.080 173.266 1.814 26649 3345 1 9 . 1 1 21 21 MET CA C 21 54.347 54.347 54.635 -0.288 26649 3346 1 9 . 1 1 21 21 MET CB C 21 38.359 38.359 37.250 1.109 26649 3347 1 9 . 1 1 21 21 MET H H 21 6.314 6.314 6.877 -0.563 26649 3348 1 9 . 1 1 22 22 PHE N N 22 115.989 115.989 116.287 -0.298 26649 3349 1 9 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.045 -0.048 26649 3350 1 9 . 1 1 22 22 PHE C C 22 174.953 174.953 173.861 1.092 26649 3351 1 9 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.072 2.419 26649 3352 1 9 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.301 4.915 26649 3353 1 9 . 1 1 22 22 PHE H H 22 8.744 8.744 8.859 -0.115 26649 3354 1 9 . 1 1 23 23 ARG N N 23 122.523 122.523 121.655 0.868 26649 3355 1 9 . 1 1 23 23 ARG HA H 23 5.236 5.236 4.991 0.245 26649 3356 1 9 . 1 1 23 23 ARG C C 23 175.828 175.828 174.888 0.940 26649 3357 1 9 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.240 0.829 26649 3358 1 9 . 1 1 23 23 ARG CB C 23 35.838 35.838 32.469 3.369 26649 3359 1 9 . 1 1 23 23 ARG H H 23 8.661 8.661 8.217 0.444 26649 3360 1 9 . 1 1 24 24 VAL N N 24 126.448 126.448 126.638 -0.190 26649 3361 1 9 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.864 -0.180 26649 3362 1 9 . 1 1 24 24 VAL C C 24 173.637 173.637 174.862 -1.225 26649 3363 1 9 . 1 1 24 24 VAL CA C 24 62.771 62.771 61.172 1.599 26649 3364 1 9 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.206 5.323 26649 3365 1 9 . 1 1 24 24 VAL H H 24 9.342 9.342 9.110 0.232 26649 3366 1 9 . 1 1 25 25 GLU N N 25 128.611 128.611 127.543 1.068 26649 3367 1 9 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.646 0.067 26649 3368 1 9 . 1 1 25 25 GLU C C 25 176.160 176.160 175.631 0.529 26649 3369 1 9 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.745 0.636 26649 3370 1 9 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.324 3.847 26649 3371 1 9 . 1 1 25 25 GLU H H 25 9.125 9.125 9.136 -0.011 26649 3372 1 9 . 1 1 26 26 LEU N N 26 129.185 129.185 123.070 6.115 26649 3373 1 9 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.778 0.051 26649 3374 1 9 . 1 1 26 26 LEU C C 26 179.291 179.291 177.078 2.213 26649 3375 1 9 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.188 2.950 26649 3376 1 9 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.225 5.069 26649 3377 1 9 . 1 1 26 26 LEU H H 26 9.305 9.305 8.801 0.504 26649 3378 1 9 . 1 1 27 27 GLU N N 27 119.943 119.943 120.287 -0.344 26649 3379 1 9 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.951 0.187 26649 3380 1 9 . 1 1 27 27 GLU C C 27 175.981 175.981 176.633 -0.652 26649 3381 1 9 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.745 1.600 26649 3382 1 9 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.024 4.998 26649 3383 1 9 . 1 1 27 27 GLU H H 27 8.624 8.624 8.654 -0.030 26649 3384 1 9 . 1 1 28 28 ASN N N 28 114.077 114.077 115.501 -1.424 26649 3385 1 9 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.575 0.061 26649 3386 1 9 . 1 1 28 28 ASN C C 28 176.489 176.489 175.373 1.116 26649 3387 1 9 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.139 2.170 26649 3388 1 9 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.499 4.688 26649 3389 1 9 . 1 1 28 28 ASN H H 28 7.268 7.268 7.945 -0.677 26649 3390 1 9 . 1 1 29 29 GLY N N 29 108.202 108.202 105.348 2.854 26649 3391 1 9 . 1 1 29 29 GLY C C 29 174.446 174.446 173.562 0.884 26649 3392 1 9 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.782 2.540 26649 3393 1 9 . 1 1 29 29 GLY H H 29 8.367 8.367 7.859 0.507 26649 3394 1 9 . 1 1 30 30 HIS N N 30 119.105 119.105 120.009 -0.904 26649 3395 1 9 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.040 -0.325 26649 3396 1 9 . 1 1 30 30 HIS C C 30 173.468 173.468 173.249 0.219 26649 3397 1 9 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.018 3.035 26649 3398 1 9 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.768 -0.059 26649 3399 1 9 . 1 1 30 30 HIS H H 30 7.954 7.954 8.669 -0.715 26649 3400 1 9 . 1 1 31 31 VAL N N 31 124.046 124.046 122.246 1.800 26649 3401 1 9 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.525 0.526 26649 3402 1 9 . 1 1 31 31 VAL C C 31 176.209 176.209 173.711 2.498 26649 3403 1 9 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.385 2.185 26649 3404 1 9 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.194 0.860 26649 3405 1 9 . 1 1 31 31 VAL H H 31 8.601 8.601 8.688 -0.087 26649 3406 1 9 . 1 1 32 32 VAL N N 32 120.179 120.179 124.009 -3.830 26649 3407 1 9 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.617 0.169 26649 3408 1 9 . 1 1 32 32 VAL C C 32 175.124 175.124 174.355 0.769 26649 3409 1 9 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.067 -0.204 26649 3410 1 9 . 1 1 32 32 VAL CB C 32 39.829 39.829 35.891 3.938 26649 3411 1 9 . 1 1 32 32 VAL H H 32 8.966 8.966 9.047 -0.081 26649 3412 1 9 . 1 1 33 33 THR N N 33 118.645 118.645 119.457 -0.812 26649 3413 1 9 . 1 1 33 33 THR HA H 33 5.061 5.061 5.003 0.058 26649 3414 1 9 . 1 1 33 33 THR C C 33 174.171 174.171 173.373 0.798 26649 3415 1 9 . 1 1 33 33 THR CA C 33 65.278 65.278 62.178 3.100 26649 3416 1 9 . 1 1 33 33 THR CB C 33 72.059 72.059 69.185 2.874 26649 3417 1 9 . 1 1 33 33 THR H H 33 8.235 8.235 8.264 -0.029 26649 3418 1 9 . 1 1 34 34 ALA N N 34 129.128 129.128 129.902 -0.774 26649 3419 1 9 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.557 0.015 26649 3420 1 9 . 1 1 34 34 ALA C C 34 175.686 175.686 175.509 0.177 26649 3421 1 9 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.199 3.857 26649 3422 1 9 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.194 2.840 26649 3423 1 9 . 1 1 34 34 ALA H H 34 9.777 9.777 8.702 1.075 26649 3424 1 9 . 1 1 35 35 HIS N N 35 116.059 116.059 115.583 0.476 26649 3425 1 9 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.228 0.283 26649 3426 1 9 . 1 1 35 35 HIS C C 35 174.302 174.302 173.983 0.319 26649 3427 1 9 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.315 1.736 26649 3428 1 9 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.876 2.810 26649 3429 1 9 . 1 1 35 35 HIS H H 35 7.712 7.712 8.516 -0.804 26649 3430 1 9 . 1 1 36 36 ILE N N 36 119.551 119.551 119.472 0.079 26649 3431 1 9 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.315 0.194 26649 3432 1 9 . 1 1 36 36 ILE C C 36 175.686 175.686 175.173 0.513 26649 3433 1 9 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.754 1.917 26649 3434 1 9 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.740 1.435 26649 3435 1 9 . 1 1 36 36 ILE H H 36 9.509 9.509 8.754 0.755 26649 3436 1 9 . 1 1 37 37 SER N N 37 120.084 120.084 120.530 -0.446 26649 3437 1 9 . 1 1 37 37 SER HA H 37 4.543 4.543 4.650 -0.107 26649 3438 1 9 . 1 1 37 37 SER C C 37 175.073 175.073 176.081 -1.008 26649 3439 1 9 . 1 1 37 37 SER CA C 37 61.428 61.428 57.725 3.703 26649 3440 1 9 . 1 1 37 37 SER CB C 37 69.228 69.228 64.343 4.885 26649 3441 1 9 . 1 1 37 37 SER H H 37 8.427 8.427 8.546 -0.119 26649 3442 1 9 . 1 1 38 38 GLY N N 38 112.268 112.268 108.547 3.721 26649 3443 1 9 . 1 1 38 38 GLY C C 38 176.124 176.124 175.832 0.292 26649 3444 1 9 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.679 2.615 26649 3445 1 9 . 1 1 38 38 GLY H H 38 9.059 9.059 8.887 0.172 26649 3446 1 9 . 1 1 39 39 LYS N N 39 121.027 121.027 120.108 0.919 26649 3447 1 9 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.849 0.262 26649 3448 1 9 . 1 1 39 39 LYS C C 39 178.155 178.155 177.924 0.231 26649 3449 1 9 . 1 1 39 39 LYS CA C 39 61.553 61.553 58.670 2.883 26649 3450 1 9 . 1 1 39 39 LYS CB C 39 37.222 37.222 31.465 5.757 26649 3451 1 9 . 1 1 39 39 LYS H H 39 8.346 8.346 7.533 0.813 26649 3452 1 9 . 1 1 40 40 MET N N 40 118.288 118.288 118.170 0.118 26649 3453 1 9 . 1 1 40 40 MET HA H 40 4.281 4.281 4.147 0.134 26649 3454 1 9 . 1 1 40 40 MET C C 40 177.179 177.179 178.903 -1.724 26649 3455 1 9 . 1 1 40 40 MET CA C 40 58.000 58.000 58.977 -0.978 26649 3456 1 9 . 1 1 40 40 MET CB C 40 36.025 36.025 32.557 3.468 26649 3457 1 9 . 1 1 40 40 MET H H 40 7.741 7.741 8.118 -0.377 26649 3458 1 9 . 1 1 41 41 ARG N N 41 119.988 119.988 117.558 2.430 26649 3459 1 9 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.102 -0.041 26649 3460 1 9 . 1 1 41 41 ARG C C 41 177.749 177.749 178.474 -0.725 26649 3461 1 9 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.911 0.625 26649 3462 1 9 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.038 2.058 26649 3463 1 9 . 1 1 41 41 ARG H H 41 7.948 7.948 8.190 -0.242 26649 3464 1 9 . 1 1 42 42 LYS N N 42 119.136 119.136 117.051 2.085 26649 3465 1 9 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.450 -0.372 26649 3466 1 9 . 1 1 42 42 LYS C C 42 176.430 176.430 176.995 -0.565 26649 3467 1 9 . 1 1 42 42 LYS CA C 42 58.518 58.518 56.853 1.665 26649 3468 1 9 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.329 4.760 26649 3469 1 9 . 1 1 42 42 LYS H H 42 7.895 7.895 7.522 0.373 26649 3470 1 9 . 1 1 43 43 ASN N N 43 116.823 116.823 119.673 -2.850 26649 3471 1 9 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.553 0.113 26649 3472 1 9 . 1 1 43 43 ASN C C 43 174.310 174.310 176.473 -2.163 26649 3473 1 9 . 1 1 43 43 ASN CA C 43 54.942 54.942 54.724 0.218 26649 3474 1 9 . 1 1 43 43 ASN CB C 43 43.371 43.371 37.198 6.173 26649 3475 1 9 . 1 1 43 43 ASN H H 43 7.840 7.840 8.271 -0.431 26649 3476 1 9 . 1 1 44 44 TYR N N 44 118.475 118.475 121.207 -2.732 26649 3477 1 9 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.257 0.100 26649 3478 1 9 . 1 1 44 44 TYR C C 44 175.072 175.072 175.481 -0.409 26649 3479 1 9 . 1 1 44 44 TYR CA C 44 59.757 59.757 60.328 -0.571 26649 3480 1 9 . 1 1 44 44 TYR CB C 44 42.222 42.222 38.511 3.711 26649 3481 1 9 . 1 1 44 44 TYR H H 44 7.701 7.701 7.663 0.038 26649 3482 1 9 . 1 1 45 45 ILE N N 45 123.061 123.061 116.933 6.128 26649 3483 1 9 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.159 -0.247 26649 3484 1 9 . 1 1 45 45 ILE C C 45 174.790 174.790 174.367 0.423 26649 3485 1 9 . 1 1 45 45 ILE CA C 45 62.935 62.935 60.096 2.839 26649 3486 1 9 . 1 1 45 45 ILE CB C 45 40.718 40.718 37.250 3.468 26649 3487 1 9 . 1 1 45 45 ILE H H 45 7.538 7.538 7.305 0.233 26649 3488 1 9 . 1 1 46 46 ARG N N 46 125.163 125.163 121.538 3.625 26649 3489 1 9 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.101 0.087 26649 3490 1 9 . 1 1 46 46 ARG C C 46 174.870 174.870 175.273 -0.403 26649 3491 1 9 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.941 0.548 26649 3492 1 9 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.804 4.843 26649 3493 1 9 . 1 1 46 46 ARG H H 46 8.105 8.105 7.831 0.274 26649 3494 1 9 . 1 1 47 47 ILE N N 47 126.439 126.439 120.966 5.473 26649 3495 1 9 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.195 -0.221 26649 3496 1 9 . 1 1 47 47 ILE C C 47 173.723 173.723 176.020 -2.297 26649 3497 1 9 . 1 1 47 47 ILE CA C 47 62.212 62.212 59.892 2.320 26649 3498 1 9 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.706 2.587 26649 3499 1 9 . 1 1 47 47 ILE H H 47 8.072 8.072 8.199 -0.127 26649 3500 1 9 . 1 1 48 48 LEU N N 48 127.845 127.845 125.979 1.866 26649 3501 1 9 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.243 0.478 26649 3502 1 9 . 1 1 48 48 LEU C C 48 177.100 177.100 176.960 0.140 26649 3503 1 9 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.655 0.987 26649 3504 1 9 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.289 5.719 26649 3505 1 9 . 1 1 48 48 LEU H H 48 8.662 8.662 8.137 0.525 26649 3506 1 9 . 1 1 49 49 THR N N 49 115.775 115.775 115.775 0.000 26649 3507 1 9 . 1 1 49 49 THR HA H 49 3.611 3.611 4.107 -0.496 26649 3508 1 9 . 1 1 49 49 THR C C 49 175.507 175.507 174.581 0.926 26649 3509 1 9 . 1 1 49 49 THR CA C 49 67.651 67.651 63.565 4.086 26649 3510 1 9 . 1 1 49 49 THR CB C 49 71.174 71.174 69.451 1.723 26649 3511 1 9 . 1 1 49 49 THR H H 49 8.281 8.281 8.131 0.150 26649 3512 1 9 . 1 1 50 50 GLY N N 50 116.246 116.246 115.568 0.678 26649 3513 1 9 . 1 1 50 50 GLY C C 50 174.433 174.433 172.791 1.642 26649 3514 1 9 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.802 2.077 26649 3515 1 9 . 1 1 50 50 GLY H H 50 9.211 9.211 8.673 0.538 26649 3516 1 9 . 1 1 51 51 ASP N N 51 121.695 121.695 121.606 0.089 26649 3517 1 9 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.690 -0.115 26649 3518 1 9 . 1 1 51 51 ASP C C 51 175.571 175.571 175.305 0.266 26649 3519 1 9 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.863 4.588 26649 3520 1 9 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.086 2.383 26649 3521 1 9 . 1 1 51 51 ASP H H 51 8.114 8.114 7.729 0.385 26649 3522 1 9 . 1 1 52 52 LYS N N 52 121.380 121.380 126.482 -5.102 26649 3523 1 9 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.698 0.396 26649 3524 1 9 . 1 1 52 52 LYS C C 52 176.630 176.630 175.802 0.828 26649 3525 1 9 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.358 0.734 26649 3526 1 9 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.539 4.368 26649 3527 1 9 . 1 1 52 52 LYS H H 52 8.504 8.504 8.040 0.464 26649 3528 1 9 . 1 1 53 53 VAL N N 53 115.067 115.067 119.136 -4.069 26649 3529 1 9 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.266 -0.083 26649 3530 1 9 . 1 1 53 53 VAL C C 53 174.865 174.865 174.436 0.429 26649 3531 1 9 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.331 0.711 26649 3532 1 9 . 1 1 53 53 VAL CB C 53 38.523 38.523 36.085 2.438 26649 3533 1 9 . 1 1 53 53 VAL H H 53 8.730 8.730 8.834 -0.104 26649 3534 1 9 . 1 1 54 54 ARG N N 54 118.772 118.772 120.902 -2.130 26649 3535 1 9 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.595 0.299 26649 3536 1 9 . 1 1 54 54 ARG C C 54 175.140 175.140 175.388 -0.248 26649 3537 1 9 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.323 1.313 26649 3538 1 9 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.065 6.478 26649 3539 1 9 . 1 1 54 54 ARG H H 54 8.208 8.208 8.226 -0.018 26649 3540 1 9 . 1 1 55 55 VAL N N 55 121.560 121.560 128.217 -6.657 26649 3541 1 9 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.956 -0.214 26649 3542 1 9 . 1 1 55 55 VAL C C 55 173.816 173.816 175.367 -1.551 26649 3543 1 9 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.964 -0.161 26649 3544 1 9 . 1 1 55 55 VAL CB C 55 36.721 36.721 32.725 3.995 26649 3545 1 9 . 1 1 55 55 VAL H H 55 8.961 8.961 9.068 -0.107 26649 3546 1 9 . 1 1 56 56 GLU N N 56 126.127 126.127 127.811 -1.684 26649 3547 1 9 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.015 -0.112 26649 3548 1 9 . 1 1 56 56 GLU C C 56 176.010 176.010 176.123 -0.113 26649 3549 1 9 . 1 1 56 56 GLU CA C 56 55.767 55.767 55.393 0.374 26649 3550 1 9 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.427 4.803 26649 3551 1 9 . 1 1 56 56 GLU H H 56 9.296 9.296 8.385 0.911 26649 3552 1 9 . 1 1 57 57 LEU N N 57 129.725 129.725 126.551 3.174 26649 3553 1 9 . 1 1 57 57 LEU HA H 57 4.731 4.731 5.007 -0.276 26649 3554 1 9 . 1 1 57 57 LEU C C 57 175.520 175.520 177.116 -1.596 26649 3555 1 9 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.940 2.247 26649 3556 1 9 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.797 2.243 26649 3557 1 9 . 1 1 57 57 LEU H H 57 9.057 9.057 9.250 -0.193 26649 3558 1 9 . 1 1 58 58 THR N N 58 114.373 114.373 110.042 4.331 26649 3559 1 9 . 1 1 58 58 THR HA H 58 4.684 4.684 5.010 -0.326 26649 3560 1 9 . 1 1 58 58 THR CA C 58 59.837 59.837 58.564 1.273 26649 3561 1 9 . 1 1 58 58 THR CB C 58 71.774 71.774 70.413 1.361 26649 3562 1 9 . 1 1 58 58 THR H H 58 8.645 8.645 8.066 0.579 26649 3563 1 9 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.316 -0.200 26649 3564 1 9 . 1 1 59 59 PRO C C 59 176.717 176.717 177.246 -0.529 26649 3565 1 9 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.675 2.654 26649 3566 1 9 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.487 4.909 26649 3567 1 9 . 1 1 60 60 TYR N N 60 113.100 113.100 117.453 -4.353 26649 3568 1 9 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.328 0.105 26649 3569 1 9 . 1 1 60 60 TYR C C 60 175.684 175.684 174.545 1.139 26649 3570 1 9 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.077 -0.023 26649 3571 1 9 . 1 1 60 60 TYR CB C 60 42.345 42.345 39.013 3.332 26649 3572 1 9 . 1 1 60 60 TYR H H 60 7.057 7.057 7.765 -0.708 26649 3573 1 9 . 1 1 61 61 ASP N N 61 118.239 118.239 116.586 1.653 26649 3574 1 9 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.567 0.140 26649 3575 1 9 . 1 1 61 61 ASP C C 61 175.155 175.155 175.372 -0.217 26649 3576 1 9 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.284 2.952 26649 3577 1 9 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.306 4.812 26649 3578 1 9 . 1 1 61 61 ASP H H 61 7.349 7.349 7.993 -0.644 26649 3579 1 9 . 1 1 62 62 LEU N N 62 124.571 124.571 121.087 3.484 26649 3580 1 9 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.014 0.386 26649 3581 1 9 . 1 1 62 62 LEU C C 62 176.534 176.534 178.362 -1.828 26649 3582 1 9 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.560 -0.496 26649 3583 1 9 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.864 3.602 26649 3584 1 9 . 1 1 62 62 LEU H H 62 8.713 8.713 8.539 0.174 26649 3585 1 9 . 1 1 63 63 SER N N 63 113.199 113.199 110.785 2.414 26649 3586 1 9 . 1 1 63 63 SER HA H 63 4.672 4.672 4.175 0.497 26649 3587 1 9 . 1 1 63 63 SER C C 63 174.199 174.199 174.111 0.088 26649 3588 1 9 . 1 1 63 63 SER CA C 63 60.593 60.593 60.772 -0.179 26649 3589 1 9 . 1 1 63 63 SER CB C 63 69.233 69.233 63.016 6.218 26649 3590 1 9 . 1 1 63 63 SER H H 63 8.515 8.515 8.330 0.185 26649 3591 1 9 . 1 1 64 64 LYS N N 64 122.388 122.388 118.684 3.704 26649 3592 1 9 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.160 0.303 26649 3593 1 9 . 1 1 64 64 LYS C C 64 174.870 174.870 175.442 -0.572 26649 3594 1 9 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.935 0.653 26649 3595 1 9 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.416 4.744 26649 3596 1 9 . 1 1 64 64 LYS H H 64 7.646 7.646 7.934 -0.288 26649 3597 1 9 . 1 1 65 65 GLY N N 65 103.185 103.185 108.533 -5.348 26649 3598 1 9 . 1 1 65 65 GLY C C 65 171.434 171.434 172.436 -1.002 26649 3599 1 9 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.589 2.696 26649 3600 1 9 . 1 1 65 65 GLY H H 65 7.803 7.803 8.331 -0.528 26649 3601 1 9 . 1 1 66 66 ARG N N 66 118.652 118.652 117.336 1.316 26649 3602 1 9 . 1 1 66 66 ARG HA H 66 4.966 4.966 5.051 -0.085 26649 3603 1 9 . 1 1 66 66 ARG C C 66 175.315 175.315 174.710 0.605 26649 3604 1 9 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.290 0.645 26649 3605 1 9 . 1 1 66 66 ARG CB C 66 37.020 37.020 34.179 2.841 26649 3606 1 9 . 1 1 66 66 ARG H H 66 8.468 8.468 8.212 0.256 26649 3607 1 9 . 1 1 67 67 ILE N N 67 125.685 125.685 120.490 5.195 26649 3608 1 9 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.790 -0.267 26649 3609 1 9 . 1 1 67 67 ILE C C 67 175.888 175.888 176.074 -0.186 26649 3610 1 9 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.704 4.274 26649 3611 1 9 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.140 3.533 26649 3612 1 9 . 1 1 67 67 ILE H H 67 9.078 9.078 8.165 0.913 26649 3613 1 9 . 1 1 68 68 THR N N 68 117.575 117.575 121.913 -4.338 26649 3614 1 9 . 1 1 68 68 THR HA H 68 4.485 4.485 4.529 -0.044 26649 3615 1 9 . 1 1 68 68 THR C C 68 174.989 174.989 172.501 2.488 26649 3616 1 9 . 1 1 68 68 THR CA C 68 64.174 64.174 62.051 2.123 26649 3617 1 9 . 1 1 68 68 THR CB C 68 72.920 72.920 70.093 2.828 26649 3618 1 9 . 1 1 68 68 THR H H 68 8.649 8.649 8.475 0.174 26649 3619 1 9 . 1 1 69 69 TYR N N 69 122.143 122.143 123.326 -1.183 26649 3620 1 9 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.388 0.203 26649 3621 1 9 . 1 1 69 69 TYR C C 69 172.880 172.880 172.904 -0.024 26649 3622 1 9 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.061 4.743 26649 3623 1 9 . 1 1 69 69 TYR CB C 69 45.410 45.410 38.841 6.569 26649 3624 1 9 . 1 1 69 69 TYR H H 69 7.538 7.538 8.228 -0.690 26649 3625 1 9 . 1 1 70 70 ARG N N 70 126.202 126.202 123.846 2.356 26649 3626 1 9 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.323 -0.707 26649 3627 1 9 . 1 1 70 70 ARG C C 70 173.644 173.644 174.251 -0.607 26649 3628 1 9 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.358 3.513 26649 3629 1 9 . 1 1 70 70 ARG CB C 70 36.386 36.386 32.477 3.909 26649 3630 1 9 . 1 1 70 70 ARG H H 70 7.716 7.716 7.954 -0.238 26649 3631 1 9 . 1 1 71 71 ALA N N 71 128.442 128.442 123.765 4.677 26649 3632 1 9 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.571 -0.475 26649 3633 1 9 . 1 1 71 71 ALA C C 71 176.753 176.753 175.161 1.592 26649 3634 1 9 . 1 1 71 71 ALA CA C 71 55.266 55.266 51.055 4.211 26649 3635 1 9 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.433 -1.222 26649 3636 1 9 . 1 1 71 71 ALA H H 71 8.456 8.456 8.977 -0.521 26649 3637 1 10 . 1 1 2 2 SER N N 2 116.344 116.344 116.343 0.001 26649 3638 1 10 . 1 1 2 2 SER HA H 2 4.543 4.543 4.545 -0.002 26649 3639 1 10 . 1 1 2 2 SER C C 2 174.500 174.500 175.155 -0.655 26649 3640 1 10 . 1 1 2 2 SER CA C 2 61.592 61.592 59.522 2.070 26649 3641 1 10 . 1 1 2 2 SER CB C 2 68.657 68.657 63.788 4.869 26649 3642 1 10 . 1 1 2 2 SER H H 2 8.756 8.756 8.098 0.658 26649 3643 1 10 . 1 1 3 3 LYS N N 3 123.531 123.531 121.407 2.124 26649 3644 1 10 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.419 -0.094 26649 3645 1 10 . 1 1 3 3 LYS C C 3 176.570 176.570 175.021 1.549 26649 3646 1 10 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.035 3.783 26649 3647 1 10 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.294 4.199 26649 3648 1 10 . 1 1 3 3 LYS H H 3 8.582 8.582 7.788 0.794 26649 3649 1 10 . 1 1 4 4 GLU N N 4 121.085 121.085 120.492 0.593 26649 3650 1 10 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.422 -0.080 26649 3651 1 10 . 1 1 4 4 GLU C C 4 176.071 176.071 174.656 1.415 26649 3652 1 10 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.810 3.113 26649 3653 1 10 . 1 1 4 4 GLU CB C 4 34.420 34.420 31.567 2.853 26649 3654 1 10 . 1 1 4 4 GLU H H 4 8.488 8.488 8.206 0.282 26649 3655 1 10 . 1 1 5 5 ASP N N 5 120.965 120.965 124.514 -3.549 26649 3656 1 10 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.681 -0.027 26649 3657 1 10 . 1 1 5 5 ASP C C 5 175.760 175.760 174.206 1.554 26649 3658 1 10 . 1 1 5 5 ASP CA C 5 57.262 57.262 53.537 3.725 26649 3659 1 10 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.605 4.000 26649 3660 1 10 . 1 1 5 5 ASP H H 5 8.235 8.235 8.296 -0.061 26649 3661 1 10 . 1 1 6 6 SER N N 6 114.678 114.678 114.024 0.654 26649 3662 1 10 . 1 1 6 6 SER HA H 6 4.783 4.783 3.864 0.919 26649 3663 1 10 . 1 1 6 6 SER C C 6 173.417 173.417 172.229 1.188 26649 3664 1 10 . 1 1 6 6 SER CA C 6 62.802 62.802 57.361 5.441 26649 3665 1 10 . 1 1 6 6 SER CB C 6 69.115 69.115 65.365 3.750 26649 3666 1 10 . 1 1 6 6 SER H H 6 8.018 8.018 7.733 0.285 26649 3667 1 10 . 1 1 7 7 PHE N N 7 119.686 119.686 116.324 3.362 26649 3668 1 10 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.597 0.264 26649 3669 1 10 . 1 1 7 7 PHE C C 7 173.245 173.245 172.865 0.380 26649 3670 1 10 . 1 1 7 7 PHE CA C 7 58.422 58.422 56.586 1.836 26649 3671 1 10 . 1 1 7 7 PHE CB C 7 44.730 44.730 39.961 4.769 26649 3672 1 10 . 1 1 7 7 PHE H H 7 8.612 8.612 8.720 -0.108 26649 3673 1 10 . 1 1 8 8 GLU N N 8 119.627 119.627 121.430 -1.803 26649 3674 1 10 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.934 0.461 26649 3675 1 10 . 1 1 8 8 GLU C C 8 176.059 176.059 175.677 0.382 26649 3676 1 10 . 1 1 8 8 GLU CA C 8 56.352 56.352 56.009 0.343 26649 3677 1 10 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.348 6.061 26649 3678 1 10 . 1 1 8 8 GLU H H 8 8.362 8.362 8.562 -0.200 26649 3679 1 10 . 1 1 9 9 MET N N 9 121.547 121.547 123.848 -2.301 26649 3680 1 10 . 1 1 9 9 MET HA H 9 4.796 4.796 4.633 0.163 26649 3681 1 10 . 1 1 9 9 MET C C 9 174.247 174.247 173.869 0.378 26649 3682 1 10 . 1 1 9 9 MET CA C 9 57.733 57.733 54.743 2.990 26649 3683 1 10 . 1 1 9 9 MET CB C 9 42.776 42.776 36.888 5.888 26649 3684 1 10 . 1 1 9 9 MET H H 9 8.895 8.895 9.172 -0.277 26649 3685 1 10 . 1 1 10 10 GLU N N 10 122.112 122.112 123.548 -1.436 26649 3686 1 10 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.190 -0.202 26649 3687 1 10 . 1 1 10 10 GLU C C 10 176.016 176.016 176.581 -0.565 26649 3688 1 10 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.987 0.698 26649 3689 1 10 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.874 4.918 26649 3690 1 10 . 1 1 10 10 GLU H H 10 8.820 8.820 8.606 0.214 26649 3691 1 10 . 1 1 11 11 GLY N N 11 106.766 106.766 110.480 -3.714 26649 3692 1 10 . 1 1 11 11 GLY C C 11 171.420 171.420 172.764 -1.344 26649 3693 1 10 . 1 1 11 11 GLY CA C 11 48.108 48.108 44.967 3.141 26649 3694 1 10 . 1 1 11 11 GLY H H 11 8.771 8.771 9.071 -0.300 26649 3695 1 10 . 1 1 12 12 THR N N 12 116.018 116.018 115.215 0.803 26649 3696 1 10 . 1 1 12 12 THR HA H 12 5.118 5.118 5.113 0.005 26649 3697 1 10 . 1 1 12 12 THR C C 12 174.240 174.240 173.818 0.422 26649 3698 1 10 . 1 1 12 12 THR CA C 12 64.101 64.101 60.292 3.809 26649 3699 1 10 . 1 1 12 12 THR CB C 12 74.309 74.309 71.768 2.541 26649 3700 1 10 . 1 1 12 12 THR H H 12 8.434 8.434 8.194 0.240 26649 3701 1 10 . 1 1 13 13 VAL N N 13 127.555 127.555 124.684 2.871 26649 3702 1 10 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.254 -0.235 26649 3703 1 10 . 1 1 13 13 VAL C C 13 176.464 176.464 174.285 2.179 26649 3704 1 10 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.757 5.910 26649 3705 1 10 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.293 4.708 26649 3706 1 10 . 1 1 13 13 VAL H H 13 9.177 9.177 8.379 0.798 26649 3707 1 10 . 1 1 14 14 VAL N N 14 124.300 124.300 124.205 0.095 26649 3708 1 10 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.652 0.007 26649 3709 1 10 . 1 1 14 14 VAL C C 14 175.424 175.424 174.654 0.770 26649 3710 1 10 . 1 1 14 14 VAL CA C 14 64.017 64.017 60.889 3.128 26649 3711 1 10 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.760 5.009 26649 3712 1 10 . 1 1 14 14 VAL H H 14 9.240 9.240 8.232 1.008 26649 3713 1 10 . 1 1 15 15 ASP N N 15 117.873 117.873 123.632 -5.759 26649 3714 1 10 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.749 0.251 26649 3715 1 10 . 1 1 15 15 ASP C C 15 175.239 175.239 174.645 0.594 26649 3716 1 10 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.479 2.006 26649 3717 1 10 . 1 1 15 15 ASP CB C 15 47.198 47.198 43.980 3.219 26649 3718 1 10 . 1 1 15 15 ASP H H 15 7.912 7.912 8.329 -0.417 26649 3719 1 10 . 1 1 16 16 THR N N 16 115.850 115.850 115.834 0.016 26649 3720 1 10 . 1 1 16 16 THR HA H 16 4.415 4.415 4.683 -0.268 26649 3721 1 10 . 1 1 16 16 THR C C 16 172.752 172.752 173.667 -0.915 26649 3722 1 10 . 1 1 16 16 THR CA C 16 64.002 64.002 61.009 2.993 26649 3723 1 10 . 1 1 16 16 THR CB C 16 73.042 73.042 70.171 2.871 26649 3724 1 10 . 1 1 16 16 THR H H 16 8.666 8.666 8.335 0.331 26649 3725 1 10 . 1 1 17 17 LEU N N 17 124.937 124.937 125.512 -0.575 26649 3726 1 10 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.790 -0.093 26649 3727 1 10 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.823 1.431 26649 3728 1 10 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.081 1.421 26649 3729 1 10 . 1 1 17 17 LEU H H 17 7.894 7.894 8.237 -0.343 26649 3730 1 10 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.626 -0.254 26649 3731 1 10 . 1 1 18 18 PRO C C 18 175.846 175.846 176.119 -0.273 26649 3732 1 10 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.621 2.606 26649 3733 1 10 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.531 4.422 26649 3734 1 10 . 1 1 19 19 ASN N N 19 114.919 114.919 116.103 -1.184 26649 3735 1 10 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.498 -0.153 26649 3736 1 10 . 1 1 19 19 ASN C C 19 175.137 175.137 174.227 0.910 26649 3737 1 10 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.684 3.097 26649 3738 1 10 . 1 1 19 19 ASN CB C 19 41.332 41.332 36.802 4.530 26649 3739 1 10 . 1 1 19 19 ASN H H 19 8.714 8.714 8.745 -0.031 26649 3740 1 10 . 1 1 20 20 THR N N 20 110.616 110.616 107.789 2.827 26649 3741 1 10 . 1 1 20 20 THR HA H 20 3.881 3.881 3.780 0.101 26649 3742 1 10 . 1 1 20 20 THR C C 20 172.384 172.384 172.800 -0.416 26649 3743 1 10 . 1 1 20 20 THR CA C 20 65.985 65.985 63.484 2.501 26649 3744 1 10 . 1 1 20 20 THR CB C 20 70.012 70.012 67.434 2.578 26649 3745 1 10 . 1 1 20 20 THR H H 20 8.579 8.579 8.298 0.281 26649 3746 1 10 . 1 1 21 21 MET N N 21 115.910 115.910 116.403 -0.493 26649 3747 1 10 . 1 1 21 21 MET HA H 21 5.074 5.074 4.650 0.424 26649 3748 1 10 . 1 1 21 21 MET C C 21 175.080 175.080 173.507 1.573 26649 3749 1 10 . 1 1 21 21 MET CA C 21 54.347 54.347 53.613 0.734 26649 3750 1 10 . 1 1 21 21 MET CB C 21 38.359 38.359 36.966 1.393 26649 3751 1 10 . 1 1 21 21 MET H H 21 6.314 6.314 6.975 -0.661 26649 3752 1 10 . 1 1 22 22 PHE N N 22 115.989 115.989 116.920 -0.931 26649 3753 1 10 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.007 -0.010 26649 3754 1 10 . 1 1 22 22 PHE C C 22 174.953 174.953 173.764 1.189 26649 3755 1 10 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.131 2.360 26649 3756 1 10 . 1 1 22 22 PHE CB C 22 48.216 48.216 42.849 5.367 26649 3757 1 10 . 1 1 22 22 PHE H H 22 8.744 8.744 8.907 -0.163 26649 3758 1 10 . 1 1 23 23 ARG N N 23 122.523 122.523 121.137 1.386 26649 3759 1 10 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.219 0.017 26649 3760 1 10 . 1 1 23 23 ARG C C 23 175.828 175.828 175.156 0.672 26649 3761 1 10 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.587 1.482 26649 3762 1 10 . 1 1 23 23 ARG CB C 23 35.838 35.838 32.705 3.133 26649 3763 1 10 . 1 1 23 23 ARG H H 23 8.661 8.661 8.303 0.358 26649 3764 1 10 . 1 1 24 24 VAL N N 24 126.448 126.448 123.689 2.759 26649 3765 1 10 . 1 1 24 24 VAL HA H 24 4.684 4.684 5.041 -0.357 26649 3766 1 10 . 1 1 24 24 VAL C C 24 173.637 173.637 175.383 -1.746 26649 3767 1 10 . 1 1 24 24 VAL CA C 24 62.771 62.771 60.425 2.346 26649 3768 1 10 . 1 1 24 24 VAL CB C 24 39.529 39.529 32.867 6.662 26649 3769 1 10 . 1 1 24 24 VAL H H 24 9.342 9.342 9.141 0.201 26649 3770 1 10 . 1 1 25 25 GLU N N 25 128.611 128.611 126.078 2.533 26649 3771 1 10 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.630 0.083 26649 3772 1 10 . 1 1 25 25 GLU C C 25 176.160 176.160 175.895 0.265 26649 3773 1 10 . 1 1 25 25 GLU CA C 25 56.381 56.381 56.049 0.332 26649 3774 1 10 . 1 1 25 25 GLU CB C 25 35.171 35.171 30.830 4.341 26649 3775 1 10 . 1 1 25 25 GLU H H 25 9.125 9.125 9.013 0.112 26649 3776 1 10 . 1 1 26 26 LEU N N 26 129.185 129.185 125.737 3.448 26649 3777 1 10 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.665 0.164 26649 3778 1 10 . 1 1 26 26 LEU C C 26 179.291 179.291 177.204 2.087 26649 3779 1 10 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.470 2.668 26649 3780 1 10 . 1 1 26 26 LEU CB C 26 47.294 47.294 41.663 5.631 26649 3781 1 10 . 1 1 26 26 LEU H H 26 9.305 9.305 8.750 0.555 26649 3782 1 10 . 1 1 27 27 GLU N N 27 119.943 119.943 120.289 -0.346 26649 3783 1 10 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.944 0.194 26649 3784 1 10 . 1 1 27 27 GLU C C 27 175.981 175.981 176.595 -0.614 26649 3785 1 10 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.615 1.730 26649 3786 1 10 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.850 5.172 26649 3787 1 10 . 1 1 27 27 GLU H H 27 8.624 8.624 8.641 -0.017 26649 3788 1 10 . 1 1 28 28 ASN N N 28 114.077 114.077 115.609 -1.532 26649 3789 1 10 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.592 0.044 26649 3790 1 10 . 1 1 28 28 ASN C C 28 176.489 176.489 175.408 1.081 26649 3791 1 10 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.306 2.003 26649 3792 1 10 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.829 4.358 26649 3793 1 10 . 1 1 28 28 ASN H H 28 7.268 7.268 8.118 -0.850 26649 3794 1 10 . 1 1 29 29 GLY N N 29 108.202 108.202 106.790 1.412 26649 3795 1 10 . 1 1 29 29 GLY C C 29 174.446 174.446 173.345 1.101 26649 3796 1 10 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.739 2.583 26649 3797 1 10 . 1 1 29 29 GLY H H 29 8.367 8.367 7.964 0.403 26649 3798 1 10 . 1 1 30 30 HIS N N 30 119.105 119.105 119.579 -0.474 26649 3799 1 10 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.013 -0.298 26649 3800 1 10 . 1 1 30 30 HIS C C 30 173.468 173.468 173.413 0.055 26649 3801 1 10 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.178 2.875 26649 3802 1 10 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.855 -0.146 26649 3803 1 10 . 1 1 30 30 HIS H H 30 7.954 7.954 8.677 -0.723 26649 3804 1 10 . 1 1 31 31 VAL N N 31 124.046 124.046 122.027 2.019 26649 3805 1 10 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.579 0.472 26649 3806 1 10 . 1 1 31 31 VAL C C 31 176.209 176.209 173.681 2.528 26649 3807 1 10 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.497 2.073 26649 3808 1 10 . 1 1 31 31 VAL CB C 31 35.054 35.054 33.959 1.095 26649 3809 1 10 . 1 1 31 31 VAL H H 31 8.601 8.601 8.628 -0.027 26649 3810 1 10 . 1 1 32 32 VAL N N 32 120.179 120.179 125.633 -5.454 26649 3811 1 10 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.499 0.287 26649 3812 1 10 . 1 1 32 32 VAL C C 32 175.124 175.124 174.150 0.974 26649 3813 1 10 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.233 -0.370 26649 3814 1 10 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.778 3.051 26649 3815 1 10 . 1 1 32 32 VAL H H 32 8.966 8.966 9.124 -0.158 26649 3816 1 10 . 1 1 33 33 THR N N 33 118.645 118.645 119.009 -0.364 26649 3817 1 10 . 1 1 33 33 THR HA H 33 5.061 5.061 5.084 -0.023 26649 3818 1 10 . 1 1 33 33 THR C C 33 174.171 174.171 173.091 1.080 26649 3819 1 10 . 1 1 33 33 THR CA C 33 65.278 65.278 61.973 3.305 26649 3820 1 10 . 1 1 33 33 THR CB C 33 72.059 72.059 69.780 2.279 26649 3821 1 10 . 1 1 33 33 THR H H 33 8.235 8.235 8.131 0.104 26649 3822 1 10 . 1 1 34 34 ALA N N 34 129.128 129.128 127.583 1.545 26649 3823 1 10 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.466 0.106 26649 3824 1 10 . 1 1 34 34 ALA C C 34 175.686 175.686 174.844 0.842 26649 3825 1 10 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.444 3.612 26649 3826 1 10 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.887 2.147 26649 3827 1 10 . 1 1 34 34 ALA H H 34 9.777 9.777 9.198 0.579 26649 3828 1 10 . 1 1 35 35 HIS N N 35 116.059 116.059 118.296 -2.237 26649 3829 1 10 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.222 0.289 26649 3830 1 10 . 1 1 35 35 HIS C C 35 174.302 174.302 173.145 1.157 26649 3831 1 10 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.873 1.178 26649 3832 1 10 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.559 3.127 26649 3833 1 10 . 1 1 35 35 HIS H H 35 7.712 7.712 8.586 -0.874 26649 3834 1 10 . 1 1 36 36 ILE N N 36 119.551 119.551 125.447 -5.896 26649 3835 1 10 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.126 0.383 26649 3836 1 10 . 1 1 36 36 ILE C C 36 175.686 175.686 174.668 1.018 26649 3837 1 10 . 1 1 36 36 ILE CA C 36 62.671 62.671 59.228 3.443 26649 3838 1 10 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.018 1.157 26649 3839 1 10 . 1 1 36 36 ILE H H 36 9.509 9.509 8.226 1.283 26649 3840 1 10 . 1 1 37 37 SER N N 37 120.084 120.084 121.586 -1.502 26649 3841 1 10 . 1 1 37 37 SER HA H 37 4.543 4.543 4.497 0.046 26649 3842 1 10 . 1 1 37 37 SER C C 37 175.073 175.073 175.911 -0.838 26649 3843 1 10 . 1 1 37 37 SER CA C 37 61.428 61.428 58.383 3.045 26649 3844 1 10 . 1 1 37 37 SER CB C 37 69.228 69.228 63.694 5.534 26649 3845 1 10 . 1 1 37 37 SER H H 37 8.427 8.427 8.556 -0.130 26649 3846 1 10 . 1 1 38 38 GLY N N 38 112.268 112.268 107.243 5.025 26649 3847 1 10 . 1 1 38 38 GLY C C 38 176.124 176.124 175.837 0.287 26649 3848 1 10 . 1 1 38 38 GLY CA C 38 49.294 49.294 45.721 3.573 26649 3849 1 10 . 1 1 38 38 GLY H H 38 9.059 9.059 8.699 0.360 26649 3850 1 10 . 1 1 39 39 LYS N N 39 121.027 121.027 121.421 -0.394 26649 3851 1 10 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.883 0.228 26649 3852 1 10 . 1 1 39 39 LYS C C 39 178.155 178.155 178.854 -0.699 26649 3853 1 10 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.653 1.900 26649 3854 1 10 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.342 4.880 26649 3855 1 10 . 1 1 39 39 LYS H H 39 8.346 8.346 8.192 0.154 26649 3856 1 10 . 1 1 40 40 MET N N 40 118.288 118.288 116.056 2.232 26649 3857 1 10 . 1 1 40 40 MET HA H 40 4.281 4.281 4.123 0.158 26649 3858 1 10 . 1 1 40 40 MET C C 40 177.179 177.179 178.518 -1.339 26649 3859 1 10 . 1 1 40 40 MET CA C 40 58.000 58.000 56.697 1.303 26649 3860 1 10 . 1 1 40 40 MET CB C 40 36.025 36.025 31.073 4.952 26649 3861 1 10 . 1 1 40 40 MET H H 40 7.741 7.741 8.013 -0.272 26649 3862 1 10 . 1 1 41 41 ARG N N 41 119.988 119.988 118.627 1.361 26649 3863 1 10 . 1 1 41 41 ARG HA H 41 4.061 4.061 3.950 0.111 26649 3864 1 10 . 1 1 41 41 ARG C C 41 177.749 177.749 178.967 -1.218 26649 3865 1 10 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.697 0.839 26649 3866 1 10 . 1 1 41 41 ARG CB C 41 32.096 32.096 29.253 2.843 26649 3867 1 10 . 1 1 41 41 ARG H H 41 7.948 7.948 8.242 -0.294 26649 3868 1 10 . 1 1 42 42 LYS N N 42 119.136 119.136 119.281 -0.145 26649 3869 1 10 . 1 1 42 42 LYS HA H 42 4.078 4.078 3.933 0.145 26649 3870 1 10 . 1 1 42 42 LYS C C 42 176.430 176.430 176.895 -0.465 26649 3871 1 10 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.136 0.382 26649 3872 1 10 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.374 4.715 26649 3873 1 10 . 1 1 42 42 LYS H H 42 7.895 7.895 7.679 0.216 26649 3874 1 10 . 1 1 43 43 ASN N N 43 116.823 116.823 115.998 0.825 26649 3875 1 10 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.535 0.131 26649 3876 1 10 . 1 1 43 43 ASN C C 43 174.310 174.310 174.120 0.190 26649 3877 1 10 . 1 1 43 43 ASN CA C 43 54.942 54.942 52.519 2.423 26649 3878 1 10 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.575 4.796 26649 3879 1 10 . 1 1 43 43 ASN H H 43 7.840 7.840 7.815 0.025 26649 3880 1 10 . 1 1 44 44 TYR N N 44 118.475 118.475 117.155 1.320 26649 3881 1 10 . 1 1 44 44 TYR HA H 44 4.357 4.357 3.984 0.373 26649 3882 1 10 . 1 1 44 44 TYR C C 44 175.072 175.072 175.843 -0.771 26649 3883 1 10 . 1 1 44 44 TYR CA C 44 59.757 59.757 59.579 0.178 26649 3884 1 10 . 1 1 44 44 TYR CB C 44 42.222 42.222 36.799 5.423 26649 3885 1 10 . 1 1 44 44 TYR H H 44 7.701 7.701 6.795 0.906 26649 3886 1 10 . 1 1 45 45 ILE N N 45 123.061 123.061 119.474 3.587 26649 3887 1 10 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.828 0.084 26649 3888 1 10 . 1 1 45 45 ILE C C 45 174.790 174.790 174.994 -0.204 26649 3889 1 10 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.180 0.755 26649 3890 1 10 . 1 1 45 45 ILE CB C 45 40.718 40.718 37.475 3.243 26649 3891 1 10 . 1 1 45 45 ILE H H 45 7.538 7.538 8.288 -0.750 26649 3892 1 10 . 1 1 46 46 ARG N N 46 125.163 125.163 124.160 1.003 26649 3893 1 10 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.337 -0.149 26649 3894 1 10 . 1 1 46 46 ARG C C 46 174.870 174.870 175.773 -0.903 26649 3895 1 10 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.097 2.392 26649 3896 1 10 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.967 4.680 26649 3897 1 10 . 1 1 46 46 ARG H H 46 8.105 8.105 8.036 0.069 26649 3898 1 10 . 1 1 47 47 ILE N N 47 126.439 126.439 121.547 4.892 26649 3899 1 10 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.222 -0.248 26649 3900 1 10 . 1 1 47 47 ILE C C 47 173.723 173.723 176.662 -2.939 26649 3901 1 10 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.007 2.205 26649 3902 1 10 . 1 1 47 47 ILE CB C 47 42.293 42.293 37.925 4.368 26649 3903 1 10 . 1 1 47 47 ILE H H 47 8.072 8.072 8.090 -0.018 26649 3904 1 10 . 1 1 48 48 LEU N N 48 127.845 127.845 124.401 3.444 26649 3905 1 10 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.223 0.498 26649 3906 1 10 . 1 1 48 48 LEU C C 48 177.100 177.100 177.037 0.063 26649 3907 1 10 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.845 0.797 26649 3908 1 10 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.282 5.726 26649 3909 1 10 . 1 1 48 48 LEU H H 48 8.662 8.662 8.130 0.532 26649 3910 1 10 . 1 1 49 49 THR N N 49 115.775 115.775 115.012 0.763 26649 3911 1 10 . 1 1 49 49 THR HA H 49 3.611 3.611 4.239 -0.628 26649 3912 1 10 . 1 1 49 49 THR C C 49 175.507 175.507 174.983 0.524 26649 3913 1 10 . 1 1 49 49 THR CA C 49 67.651 67.651 63.007 4.644 26649 3914 1 10 . 1 1 49 49 THR CB C 49 71.174 71.174 69.509 1.665 26649 3915 1 10 . 1 1 49 49 THR H H 49 8.281 8.281 8.050 0.231 26649 3916 1 10 . 1 1 50 50 GLY N N 50 116.246 116.246 116.303 -0.057 26649 3917 1 10 . 1 1 50 50 GLY C C 50 174.433 174.433 172.737 1.696 26649 3918 1 10 . 1 1 50 50 GLY CA C 50 46.879 46.879 45.110 1.769 26649 3919 1 10 . 1 1 50 50 GLY H H 50 9.211 9.211 8.695 0.516 26649 3920 1 10 . 1 1 51 51 ASP N N 51 121.695 121.695 121.519 0.176 26649 3921 1 10 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.661 -0.086 26649 3922 1 10 . 1 1 51 51 ASP C C 51 175.571 175.571 175.541 0.030 26649 3923 1 10 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.652 5.799 26649 3924 1 10 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.655 2.814 26649 3925 1 10 . 1 1 51 51 ASP H H 51 8.114 8.114 7.842 0.272 26649 3926 1 10 . 1 1 52 52 LYS N N 52 121.380 121.380 126.551 -5.171 26649 3927 1 10 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.556 0.538 26649 3928 1 10 . 1 1 52 52 LYS C C 52 176.630 176.630 176.085 0.545 26649 3929 1 10 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.718 0.374 26649 3930 1 10 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.599 4.308 26649 3931 1 10 . 1 1 52 52 LYS H H 52 8.504 8.504 7.947 0.557 26649 3932 1 10 . 1 1 53 53 VAL N N 53 115.067 115.067 119.574 -4.507 26649 3933 1 10 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.290 -0.107 26649 3934 1 10 . 1 1 53 53 VAL C C 53 174.865 174.865 174.471 0.394 26649 3935 1 10 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.689 0.353 26649 3936 1 10 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.971 2.552 26649 3937 1 10 . 1 1 53 53 VAL H H 53 8.730 8.730 8.877 -0.147 26649 3938 1 10 . 1 1 54 54 ARG N N 54 118.772 118.772 122.410 -3.638 26649 3939 1 10 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.601 0.293 26649 3940 1 10 . 1 1 54 54 ARG C C 54 175.140 175.140 175.174 -0.034 26649 3941 1 10 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.404 1.232 26649 3942 1 10 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.116 6.427 26649 3943 1 10 . 1 1 54 54 ARG H H 54 8.208 8.208 8.923 -0.715 26649 3944 1 10 . 1 1 55 55 VAL N N 55 121.560 121.560 125.943 -4.383 26649 3945 1 10 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.213 -0.471 26649 3946 1 10 . 1 1 55 55 VAL C C 55 173.816 173.816 174.884 -1.068 26649 3947 1 10 . 1 1 55 55 VAL CA C 55 60.803 60.803 59.299 1.504 26649 3948 1 10 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.830 2.891 26649 3949 1 10 . 1 1 55 55 VAL H H 55 8.961 8.961 8.924 0.037 26649 3950 1 10 . 1 1 56 56 GLU N N 56 126.127 126.127 123.970 2.157 26649 3951 1 10 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.352 -0.449 26649 3952 1 10 . 1 1 56 56 GLU C C 56 176.010 176.010 175.519 0.491 26649 3953 1 10 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.119 1.648 26649 3954 1 10 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.942 4.288 26649 3955 1 10 . 1 1 56 56 GLU H H 56 9.296 9.296 8.265 1.031 26649 3956 1 10 . 1 1 57 57 LEU N N 57 129.725 129.725 128.749 0.976 26649 3957 1 10 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.959 -0.228 26649 3958 1 10 . 1 1 57 57 LEU C C 57 175.520 175.520 176.906 -1.386 26649 3959 1 10 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.825 2.362 26649 3960 1 10 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.350 2.690 26649 3961 1 10 . 1 1 57 57 LEU H H 57 9.057 9.057 8.579 0.478 26649 3962 1 10 . 1 1 58 58 THR N N 58 114.373 114.373 113.379 0.994 26649 3963 1 10 . 1 1 58 58 THR HA H 58 4.684 4.684 4.795 -0.111 26649 3964 1 10 . 1 1 58 58 THR CA C 58 59.837 59.837 59.039 0.798 26649 3965 1 10 . 1 1 58 58 THR CB C 58 71.774 71.774 69.286 2.488 26649 3966 1 10 . 1 1 58 58 THR H H 58 8.645 8.645 8.032 0.613 26649 3967 1 10 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.184 -0.068 26649 3968 1 10 . 1 1 59 59 PRO C C 59 176.717 176.717 177.570 -0.853 26649 3969 1 10 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.564 2.764 26649 3970 1 10 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.457 4.939 26649 3971 1 10 . 1 1 60 60 TYR N N 60 113.100 113.100 117.060 -3.960 26649 3972 1 10 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.287 0.146 26649 3973 1 10 . 1 1 60 60 TYR C C 60 175.684 175.684 175.724 -0.040 26649 3974 1 10 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.989 -0.935 26649 3975 1 10 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.355 3.990 26649 3976 1 10 . 1 1 60 60 TYR H H 60 7.057 7.057 7.853 -0.796 26649 3977 1 10 . 1 1 61 61 ASP N N 61 118.239 118.239 115.564 2.675 26649 3978 1 10 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.679 0.028 26649 3979 1 10 . 1 1 61 61 ASP C C 61 175.155 175.155 175.895 -0.740 26649 3980 1 10 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.431 2.805 26649 3981 1 10 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.219 4.899 26649 3982 1 10 . 1 1 61 61 ASP H H 61 7.349 7.349 7.617 -0.268 26649 3983 1 10 . 1 1 62 62 LEU N N 62 124.571 124.571 122.764 1.807 26649 3984 1 10 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.002 0.398 26649 3985 1 10 . 1 1 62 62 LEU C C 62 176.534 176.534 178.546 -2.012 26649 3986 1 10 . 1 1 62 62 LEU CA C 62 57.064 57.064 56.725 0.339 26649 3987 1 10 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.895 3.571 26649 3988 1 10 . 1 1 62 62 LEU H H 62 8.713 8.713 8.605 0.108 26649 3989 1 10 . 1 1 63 63 SER N N 63 113.199 113.199 111.806 1.393 26649 3990 1 10 . 1 1 63 63 SER HA H 63 4.672 4.672 4.265 0.407 26649 3991 1 10 . 1 1 63 63 SER C C 63 174.199 174.199 174.198 0.001 26649 3992 1 10 . 1 1 63 63 SER CA C 63 60.593 60.593 60.609 -0.016 26649 3993 1 10 . 1 1 63 63 SER CB C 63 69.233 69.233 63.103 6.130 26649 3994 1 10 . 1 1 63 63 SER H H 63 8.515 8.515 8.311 0.204 26649 3995 1 10 . 1 1 64 64 LYS N N 64 122.388 122.388 117.926 4.462 26649 3996 1 10 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.215 0.248 26649 3997 1 10 . 1 1 64 64 LYS C C 64 174.870 174.870 175.277 -0.407 26649 3998 1 10 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.702 0.886 26649 3999 1 10 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.473 4.686 26649 4000 1 10 . 1 1 64 64 LYS H H 64 7.646 7.646 7.861 -0.215 26649 4001 1 10 . 1 1 65 65 GLY N N 65 103.185 103.185 108.076 -4.891 26649 4002 1 10 . 1 1 65 65 GLY C C 65 171.434 171.434 172.252 -0.818 26649 4003 1 10 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.534 2.751 26649 4004 1 10 . 1 1 65 65 GLY H H 65 7.803 7.803 8.951 -1.148 26649 4005 1 10 . 1 1 66 66 ARG N N 66 118.652 118.652 117.320 1.332 26649 4006 1 10 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.861 0.105 26649 4007 1 10 . 1 1 66 66 ARG C C 66 175.315 175.315 174.542 0.773 26649 4008 1 10 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.503 0.432 26649 4009 1 10 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.948 3.072 26649 4010 1 10 . 1 1 66 66 ARG H H 66 8.468 8.468 8.097 0.371 26649 4011 1 10 . 1 1 67 67 ILE N N 67 125.685 125.685 120.557 5.128 26649 4012 1 10 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.545 -0.022 26649 4013 1 10 . 1 1 67 67 ILE C C 67 175.888 175.888 175.691 0.197 26649 4014 1 10 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.906 4.072 26649 4015 1 10 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.712 2.961 26649 4016 1 10 . 1 1 67 67 ILE H H 67 9.078 9.078 7.999 1.079 26649 4017 1 10 . 1 1 68 68 THR N N 68 117.575 117.575 120.857 -3.282 26649 4018 1 10 . 1 1 68 68 THR HA H 68 4.485 4.485 4.550 -0.065 26649 4019 1 10 . 1 1 68 68 THR C C 68 174.989 174.989 172.750 2.239 26649 4020 1 10 . 1 1 68 68 THR CA C 68 64.174 64.174 62.440 1.734 26649 4021 1 10 . 1 1 68 68 THR CB C 68 72.920 72.920 69.788 3.132 26649 4022 1 10 . 1 1 68 68 THR H H 68 8.649 8.649 8.290 0.359 26649 4023 1 10 . 1 1 69 69 TYR N N 69 122.143 122.143 123.580 -1.437 26649 4024 1 10 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.378 0.213 26649 4025 1 10 . 1 1 69 69 TYR C C 69 172.880 172.880 172.629 0.251 26649 4026 1 10 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.303 4.501 26649 4027 1 10 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.684 5.726 26649 4028 1 10 . 1 1 69 69 TYR H H 69 7.538 7.538 8.048 -0.510 26649 4029 1 10 . 1 1 70 70 ARG N N 70 126.202 126.202 124.619 1.583 26649 4030 1 10 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.486 -0.870 26649 4031 1 10 . 1 1 70 70 ARG C C 70 173.644 173.644 173.911 -0.267 26649 4032 1 10 . 1 1 70 70 ARG CA C 70 57.871 57.871 53.829 4.042 26649 4033 1 10 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.004 2.382 26649 4034 1 10 . 1 1 70 70 ARG H H 70 7.716 7.716 7.727 -0.011 26649 4035 1 10 . 1 1 71 71 ALA N N 71 128.442 128.442 122.897 5.545 26649 4036 1 10 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.602 -0.506 26649 4037 1 10 . 1 1 71 71 ALA C C 71 176.753 176.753 175.550 1.203 26649 4038 1 10 . 1 1 71 71 ALA CA C 71 55.266 55.266 51.174 4.092 26649 4039 1 10 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.786 -0.575 26649 4040 1 10 . 1 1 71 71 ALA H H 71 8.456 8.456 8.913 -0.457 26649 4041 1 11 . 1 1 2 2 SER N N 2 116.344 116.344 115.703 0.641 26649 4042 1 11 . 1 1 2 2 SER HA H 2 4.543 4.543 4.740 -0.197 26649 4043 1 11 . 1 1 2 2 SER C C 2 174.500 174.500 173.551 0.949 26649 4044 1 11 . 1 1 2 2 SER CA C 2 61.592 61.592 58.088 3.504 26649 4045 1 11 . 1 1 2 2 SER CB C 2 68.657 68.657 63.858 4.800 26649 4046 1 11 . 1 1 2 2 SER H H 2 8.756 8.756 7.997 0.759 26649 4047 1 11 . 1 1 3 3 LYS N N 3 123.531 123.531 122.389 1.142 26649 4048 1 11 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.387 -0.062 26649 4049 1 11 . 1 1 3 3 LYS C C 3 176.570 176.570 175.932 0.638 26649 4050 1 11 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.803 3.015 26649 4051 1 11 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.073 4.420 26649 4052 1 11 . 1 1 3 3 LYS H H 3 8.582 8.582 8.296 0.286 26649 4053 1 11 . 1 1 4 4 GLU N N 4 121.085 121.085 124.153 -3.068 26649 4054 1 11 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.395 -0.053 26649 4055 1 11 . 1 1 4 4 GLU C C 4 176.071 176.071 176.184 -0.113 26649 4056 1 11 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.846 3.077 26649 4057 1 11 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.773 3.647 26649 4058 1 11 . 1 1 4 4 GLU H H 4 8.488 8.488 8.548 -0.060 26649 4059 1 11 . 1 1 5 5 ASP N N 5 120.965 120.965 122.134 -1.169 26649 4060 1 11 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.750 -0.096 26649 4061 1 11 . 1 1 5 5 ASP C C 5 175.760 175.760 174.940 0.820 26649 4062 1 11 . 1 1 5 5 ASP CA C 5 57.262 57.262 55.256 2.006 26649 4063 1 11 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.423 4.182 26649 4064 1 11 . 1 1 5 5 ASP H H 5 8.235 8.235 8.690 -0.455 26649 4065 1 11 . 1 1 6 6 SER N N 6 114.678 114.678 111.975 2.703 26649 4066 1 11 . 1 1 6 6 SER HA H 6 4.783 4.783 4.974 -0.191 26649 4067 1 11 . 1 1 6 6 SER C C 6 173.417 173.417 172.782 0.635 26649 4068 1 11 . 1 1 6 6 SER CA C 6 62.802 62.802 57.243 5.559 26649 4069 1 11 . 1 1 6 6 SER CB C 6 69.115 69.115 66.381 2.734 26649 4070 1 11 . 1 1 6 6 SER H H 6 8.018 8.018 7.404 0.614 26649 4071 1 11 . 1 1 7 7 PHE N N 7 119.686 119.686 122.603 -2.917 26649 4072 1 11 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.734 0.127 26649 4073 1 11 . 1 1 7 7 PHE C C 7 173.245 173.245 174.013 -0.768 26649 4074 1 11 . 1 1 7 7 PHE CA C 7 58.422 58.422 56.899 1.523 26649 4075 1 11 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.385 2.345 26649 4076 1 11 . 1 1 7 7 PHE H H 7 8.612 8.612 8.910 -0.298 26649 4077 1 11 . 1 1 8 8 GLU N N 8 119.627 119.627 129.279 -9.652 26649 4078 1 11 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.831 0.564 26649 4079 1 11 . 1 1 8 8 GLU C C 8 176.059 176.059 175.585 0.474 26649 4080 1 11 . 1 1 8 8 GLU CA C 8 56.352 56.352 56.002 0.350 26649 4081 1 11 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.205 6.204 26649 4082 1 11 . 1 1 8 8 GLU H H 8 8.362 8.362 8.373 -0.011 26649 4083 1 11 . 1 1 9 9 MET N N 9 121.547 121.547 125.937 -4.390 26649 4084 1 11 . 1 1 9 9 MET HA H 9 4.796 4.796 4.828 -0.032 26649 4085 1 11 . 1 1 9 9 MET C C 9 174.247 174.247 173.607 0.640 26649 4086 1 11 . 1 1 9 9 MET CA C 9 57.733 57.733 55.089 2.644 26649 4087 1 11 . 1 1 9 9 MET CB C 9 42.776 42.776 36.823 5.953 26649 4088 1 11 . 1 1 9 9 MET H H 9 8.895 8.895 8.947 -0.052 26649 4089 1 11 . 1 1 10 10 GLU N N 10 122.112 122.112 125.744 -3.632 26649 4090 1 11 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.077 -0.089 26649 4091 1 11 . 1 1 10 10 GLU C C 10 176.016 176.016 176.118 -0.102 26649 4092 1 11 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.972 0.713 26649 4093 1 11 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.198 4.594 26649 4094 1 11 . 1 1 10 10 GLU H H 10 8.820 8.820 8.579 0.241 26649 4095 1 11 . 1 1 11 11 GLY N N 11 106.766 106.766 109.121 -2.355 26649 4096 1 11 . 1 1 11 11 GLY C C 11 171.420 171.420 172.719 -1.299 26649 4097 1 11 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.100 3.008 26649 4098 1 11 . 1 1 11 11 GLY H H 11 8.771 8.771 9.001 -0.230 26649 4099 1 11 . 1 1 12 12 THR N N 12 116.018 116.018 115.508 0.510 26649 4100 1 11 . 1 1 12 12 THR HA H 12 5.118 5.118 5.043 0.075 26649 4101 1 11 . 1 1 12 12 THR C C 12 174.240 174.240 173.715 0.525 26649 4102 1 11 . 1 1 12 12 THR CA C 12 64.101 64.101 61.070 3.031 26649 4103 1 11 . 1 1 12 12 THR CB C 12 74.309 74.309 72.048 2.261 26649 4104 1 11 . 1 1 12 12 THR H H 12 8.434 8.434 8.361 0.073 26649 4105 1 11 . 1 1 13 13 VAL N N 13 127.555 127.555 125.609 1.946 26649 4106 1 11 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.430 -0.411 26649 4107 1 11 . 1 1 13 13 VAL C C 13 176.464 176.464 174.154 2.310 26649 4108 1 11 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.905 5.762 26649 4109 1 11 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.128 3.873 26649 4110 1 11 . 1 1 13 13 VAL H H 13 9.177 9.177 8.338 0.839 26649 4111 1 11 . 1 1 14 14 VAL N N 14 124.300 124.300 124.337 -0.037 26649 4112 1 11 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.458 0.201 26649 4113 1 11 . 1 1 14 14 VAL C C 14 175.424 175.424 174.214 1.210 26649 4114 1 11 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.189 2.828 26649 4115 1 11 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.252 5.517 26649 4116 1 11 . 1 1 14 14 VAL H H 14 9.240 9.240 8.216 1.024 26649 4117 1 11 . 1 1 15 15 ASP N N 15 117.873 117.873 123.978 -6.105 26649 4118 1 11 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.710 0.290 26649 4119 1 11 . 1 1 15 15 ASP C C 15 175.239 175.239 174.903 0.336 26649 4120 1 11 . 1 1 15 15 ASP CA C 15 56.485 56.485 53.928 2.557 26649 4121 1 11 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.504 2.694 26649 4122 1 11 . 1 1 15 15 ASP H H 15 7.912 7.912 8.237 -0.325 26649 4123 1 11 . 1 1 16 16 THR N N 16 115.850 115.850 114.066 1.784 26649 4124 1 11 . 1 1 16 16 THR HA H 16 4.415 4.415 4.609 -0.194 26649 4125 1 11 . 1 1 16 16 THR C C 16 172.752 172.752 173.328 -0.576 26649 4126 1 11 . 1 1 16 16 THR CA C 16 64.002 64.002 61.532 2.470 26649 4127 1 11 . 1 1 16 16 THR CB C 16 73.042 73.042 70.694 2.348 26649 4128 1 11 . 1 1 16 16 THR H H 16 8.666 8.666 8.353 0.313 26649 4129 1 11 . 1 1 17 17 LEU N N 17 124.937 124.937 124.912 0.025 26649 4130 1 11 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.847 -0.150 26649 4131 1 11 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.291 1.963 26649 4132 1 11 . 1 1 17 17 LEU CB C 17 43.502 43.502 43.308 0.194 26649 4133 1 11 . 1 1 17 17 LEU H H 17 7.894 7.894 7.957 -0.063 26649 4134 1 11 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.670 -0.298 26649 4135 1 11 . 1 1 18 18 PRO C C 18 175.846 175.846 175.810 0.036 26649 4136 1 11 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.773 2.454 26649 4137 1 11 . 1 1 18 18 PRO CB C 18 36.953 36.953 31.186 5.767 26649 4138 1 11 . 1 1 19 19 ASN N N 19 114.919 114.919 121.300 -6.381 26649 4139 1 11 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.600 -0.255 26649 4140 1 11 . 1 1 19 19 ASN C C 19 175.137 175.137 174.584 0.553 26649 4141 1 11 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.220 3.561 26649 4142 1 11 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.785 3.547 26649 4143 1 11 . 1 1 19 19 ASN H H 19 8.714 8.714 8.678 0.036 26649 4144 1 11 . 1 1 20 20 THR N N 20 110.616 110.616 111.110 -0.494 26649 4145 1 11 . 1 1 20 20 THR HA H 20 3.881 3.881 3.923 -0.042 26649 4146 1 11 . 1 1 20 20 THR C C 20 172.384 172.384 172.461 -0.077 26649 4147 1 11 . 1 1 20 20 THR CA C 20 65.985 65.985 63.724 2.261 26649 4148 1 11 . 1 1 20 20 THR CB C 20 70.012 70.012 67.774 2.238 26649 4149 1 11 . 1 1 20 20 THR H H 20 8.579 8.579 8.173 0.406 26649 4150 1 11 . 1 1 21 21 MET N N 21 115.910 115.910 116.407 -0.497 26649 4151 1 11 . 1 1 21 21 MET HA H 21 5.074 5.074 4.778 0.296 26649 4152 1 11 . 1 1 21 21 MET C C 21 175.080 175.080 173.759 1.321 26649 4153 1 11 . 1 1 21 21 MET CA C 21 54.347 54.347 54.139 0.208 26649 4154 1 11 . 1 1 21 21 MET CB C 21 38.359 38.359 37.762 0.597 26649 4155 1 11 . 1 1 21 21 MET H H 21 6.314 6.314 7.021 -0.707 26649 4156 1 11 . 1 1 22 22 PHE N N 22 115.989 115.989 117.641 -1.652 26649 4157 1 11 . 1 1 22 22 PHE HA H 22 4.997 4.997 4.897 0.100 26649 4158 1 11 . 1 1 22 22 PHE C C 22 174.953 174.953 173.780 1.173 26649 4159 1 11 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.097 2.394 26649 4160 1 11 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.448 4.768 26649 4161 1 11 . 1 1 22 22 PHE H H 22 8.744 8.744 9.173 -0.429 26649 4162 1 11 . 1 1 23 23 ARG N N 23 122.523 122.523 122.295 0.228 26649 4163 1 11 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.014 0.222 26649 4164 1 11 . 1 1 23 23 ARG C C 23 175.828 175.828 174.580 1.248 26649 4165 1 11 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.305 0.764 26649 4166 1 11 . 1 1 23 23 ARG CB C 23 35.838 35.838 32.566 3.272 26649 4167 1 11 . 1 1 23 23 ARG H H 23 8.661 8.661 8.451 0.210 26649 4168 1 11 . 1 1 24 24 VAL N N 24 126.448 126.448 126.365 0.083 26649 4169 1 11 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.787 -0.103 26649 4170 1 11 . 1 1 24 24 VAL C C 24 173.637 173.637 174.946 -1.309 26649 4171 1 11 . 1 1 24 24 VAL CA C 24 62.771 62.771 60.737 2.034 26649 4172 1 11 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.540 4.989 26649 4173 1 11 . 1 1 24 24 VAL H H 24 9.342 9.342 8.630 0.712 26649 4174 1 11 . 1 1 25 25 GLU N N 25 128.611 128.611 127.536 1.075 26649 4175 1 11 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.651 0.062 26649 4176 1 11 . 1 1 25 25 GLU C C 25 176.160 176.160 175.874 0.286 26649 4177 1 11 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.795 0.586 26649 4178 1 11 . 1 1 25 25 GLU CB C 25 35.171 35.171 30.751 4.420 26649 4179 1 11 . 1 1 25 25 GLU H H 25 9.125 9.125 9.354 -0.229 26649 4180 1 11 . 1 1 26 26 LEU N N 26 129.185 129.185 125.769 3.416 26649 4181 1 11 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.693 0.136 26649 4182 1 11 . 1 1 26 26 LEU C C 26 179.291 179.291 177.513 1.778 26649 4183 1 11 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.062 3.076 26649 4184 1 11 . 1 1 26 26 LEU CB C 26 47.294 47.294 41.708 5.586 26649 4185 1 11 . 1 1 26 26 LEU H H 26 9.305 9.305 8.635 0.670 26649 4186 1 11 . 1 1 27 27 GLU N N 27 119.943 119.943 119.967 -0.024 26649 4187 1 11 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.976 0.162 26649 4188 1 11 . 1 1 27 27 GLU C C 27 175.981 175.981 176.922 -0.941 26649 4189 1 11 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.658 1.687 26649 4190 1 11 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.967 5.055 26649 4191 1 11 . 1 1 27 27 GLU H H 27 8.624 8.624 8.525 0.099 26649 4192 1 11 . 1 1 28 28 ASN N N 28 114.077 114.077 116.774 -2.697 26649 4193 1 11 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.598 0.038 26649 4194 1 11 . 1 1 28 28 ASN C C 28 176.489 176.489 175.080 1.409 26649 4195 1 11 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.503 1.806 26649 4196 1 11 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.577 4.610 26649 4197 1 11 . 1 1 28 28 ASN H H 28 7.268 7.268 8.023 -0.755 26649 4198 1 11 . 1 1 29 29 GLY N N 29 108.202 108.202 104.174 4.028 26649 4199 1 11 . 1 1 29 29 GLY C C 29 174.446 174.446 174.012 0.434 26649 4200 1 11 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.870 2.452 26649 4201 1 11 . 1 1 29 29 GLY H H 29 8.367 8.367 7.824 0.543 26649 4202 1 11 . 1 1 30 30 HIS N N 30 119.105 119.105 119.657 -0.552 26649 4203 1 11 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.043 -0.328 26649 4204 1 11 . 1 1 30 30 HIS C C 30 173.468 173.468 173.526 -0.058 26649 4205 1 11 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.403 3.650 26649 4206 1 11 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.305 0.404 26649 4207 1 11 . 1 1 30 30 HIS H H 30 7.954 7.954 8.729 -0.775 26649 4208 1 11 . 1 1 31 31 VAL N N 31 124.046 124.046 120.578 3.468 26649 4209 1 11 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.487 0.564 26649 4210 1 11 . 1 1 31 31 VAL C C 31 176.209 176.209 174.004 2.205 26649 4211 1 11 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.361 2.209 26649 4212 1 11 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.683 0.371 26649 4213 1 11 . 1 1 31 31 VAL H H 31 8.601 8.601 8.464 0.137 26649 4214 1 11 . 1 1 32 32 VAL N N 32 120.179 120.179 123.487 -3.308 26649 4215 1 11 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.440 0.346 26649 4216 1 11 . 1 1 32 32 VAL C C 32 175.124 175.124 174.541 0.583 26649 4217 1 11 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.420 -0.557 26649 4218 1 11 . 1 1 32 32 VAL CB C 32 39.829 39.829 35.973 3.856 26649 4219 1 11 . 1 1 32 32 VAL H H 32 8.966 8.966 9.005 -0.039 26649 4220 1 11 . 1 1 33 33 THR N N 33 118.645 118.645 118.809 -0.164 26649 4221 1 11 . 1 1 33 33 THR HA H 33 5.061 5.061 4.932 0.129 26649 4222 1 11 . 1 1 33 33 THR C C 33 174.171 174.171 173.514 0.657 26649 4223 1 11 . 1 1 33 33 THR CA C 33 65.278 65.278 61.910 3.368 26649 4224 1 11 . 1 1 33 33 THR CB C 33 72.059 72.059 68.682 3.377 26649 4225 1 11 . 1 1 33 33 THR H H 33 8.235 8.235 8.190 0.045 26649 4226 1 11 . 1 1 34 34 ALA N N 34 129.128 129.128 129.658 -0.530 26649 4227 1 11 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.108 0.464 26649 4228 1 11 . 1 1 34 34 ALA C C 34 175.686 175.686 175.391 0.295 26649 4229 1 11 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.404 3.651 26649 4230 1 11 . 1 1 34 34 ALA CB C 34 25.034 25.034 21.688 3.346 26649 4231 1 11 . 1 1 34 34 ALA H H 34 9.777 9.777 9.023 0.754 26649 4232 1 11 . 1 1 35 35 HIS N N 35 116.059 116.059 117.589 -1.530 26649 4233 1 11 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.115 0.396 26649 4234 1 11 . 1 1 35 35 HIS C C 35 174.302 174.302 173.590 0.712 26649 4235 1 11 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.409 1.642 26649 4236 1 11 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.885 2.801 26649 4237 1 11 . 1 1 35 35 HIS H H 35 7.712 7.712 8.474 -0.762 26649 4238 1 11 . 1 1 36 36 ILE N N 36 119.551 119.551 125.495 -5.944 26649 4239 1 11 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.324 0.185 26649 4240 1 11 . 1 1 36 36 ILE C C 36 175.686 175.686 175.340 0.346 26649 4241 1 11 . 1 1 36 36 ILE CA C 36 62.671 62.671 59.804 2.867 26649 4242 1 11 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.049 1.126 26649 4243 1 11 . 1 1 36 36 ILE H H 36 9.509 9.509 8.261 1.248 26649 4244 1 11 . 1 1 37 37 SER N N 37 120.084 120.084 123.086 -3.002 26649 4245 1 11 . 1 1 37 37 SER HA H 37 4.543 4.543 4.420 0.123 26649 4246 1 11 . 1 1 37 37 SER C C 37 175.073 175.073 175.987 -0.914 26649 4247 1 11 . 1 1 37 37 SER CA C 37 61.428 61.428 58.377 3.051 26649 4248 1 11 . 1 1 37 37 SER CB C 37 69.228 69.228 63.859 5.369 26649 4249 1 11 . 1 1 37 37 SER H H 37 8.427 8.427 8.489 -0.062 26649 4250 1 11 . 1 1 38 38 GLY N N 38 112.268 112.268 109.543 2.725 26649 4251 1 11 . 1 1 38 38 GLY C C 38 176.124 176.124 176.016 0.108 26649 4252 1 11 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.609 2.685 26649 4253 1 11 . 1 1 38 38 GLY H H 38 9.059 9.059 8.844 0.215 26649 4254 1 11 . 1 1 39 39 LYS N N 39 121.027 121.027 123.021 -1.994 26649 4255 1 11 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.039 0.072 26649 4256 1 11 . 1 1 39 39 LYS C C 39 178.155 178.155 178.768 -0.613 26649 4257 1 11 . 1 1 39 39 LYS CA C 39 61.553 61.553 58.990 2.563 26649 4258 1 11 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.121 5.101 26649 4259 1 11 . 1 1 39 39 LYS H H 39 8.346 8.346 8.407 -0.061 26649 4260 1 11 . 1 1 40 40 MET N N 40 118.288 118.288 116.809 1.479 26649 4261 1 11 . 1 1 40 40 MET HA H 40 4.281 4.281 4.160 0.121 26649 4262 1 11 . 1 1 40 40 MET C C 40 177.179 177.179 178.869 -1.690 26649 4263 1 11 . 1 1 40 40 MET CA C 40 58.000 58.000 57.617 0.383 26649 4264 1 11 . 1 1 40 40 MET CB C 40 36.025 36.025 31.412 4.613 26649 4265 1 11 . 1 1 40 40 MET H H 40 7.741 7.741 7.654 0.087 26649 4266 1 11 . 1 1 41 41 ARG N N 41 119.988 119.988 120.673 -0.685 26649 4267 1 11 . 1 1 41 41 ARG HA H 41 4.061 4.061 3.934 0.127 26649 4268 1 11 . 1 1 41 41 ARG C C 41 177.749 177.749 179.189 -1.440 26649 4269 1 11 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.927 -0.391 26649 4270 1 11 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.176 1.920 26649 4271 1 11 . 1 1 41 41 ARG H H 41 7.948 7.948 7.822 0.126 26649 4272 1 11 . 1 1 42 42 LYS N N 42 119.136 119.136 118.724 0.412 26649 4273 1 11 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.079 -0.001 26649 4274 1 11 . 1 1 42 42 LYS C C 42 176.430 176.430 178.271 -1.841 26649 4275 1 11 . 1 1 42 42 LYS CA C 42 58.518 58.518 59.145 -0.627 26649 4276 1 11 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.219 4.870 26649 4277 1 11 . 1 1 42 42 LYS H H 42 7.895 7.895 8.288 -0.393 26649 4278 1 11 . 1 1 43 43 ASN N N 43 116.823 116.823 116.379 0.444 26649 4279 1 11 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.783 -0.117 26649 4280 1 11 . 1 1 43 43 ASN C C 43 174.310 174.310 174.213 0.097 26649 4281 1 11 . 1 1 43 43 ASN CA C 43 54.942 54.942 52.455 2.487 26649 4282 1 11 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.913 4.458 26649 4283 1 11 . 1 1 43 43 ASN H H 43 7.840 7.840 7.579 0.261 26649 4284 1 11 . 1 1 44 44 TYR N N 44 118.475 118.475 115.343 3.132 26649 4285 1 11 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.176 0.181 26649 4286 1 11 . 1 1 44 44 TYR C C 44 175.072 175.072 174.372 0.700 26649 4287 1 11 . 1 1 44 44 TYR CA C 44 59.757 59.757 57.907 1.850 26649 4288 1 11 . 1 1 44 44 TYR CB C 44 42.222 42.222 35.176 7.046 26649 4289 1 11 . 1 1 44 44 TYR H H 44 7.701 7.701 8.252 -0.551 26649 4290 1 11 . 1 1 45 45 ILE N N 45 123.061 123.061 120.651 2.410 26649 4291 1 11 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.104 -0.192 26649 4292 1 11 . 1 1 45 45 ILE C C 45 174.790 174.790 175.814 -1.024 26649 4293 1 11 . 1 1 45 45 ILE CA C 45 62.935 62.935 59.369 3.566 26649 4294 1 11 . 1 1 45 45 ILE CB C 45 40.718 40.718 39.104 1.614 26649 4295 1 11 . 1 1 45 45 ILE H H 45 7.538 7.538 7.641 -0.103 26649 4296 1 11 . 1 1 46 46 ARG N N 46 125.163 125.163 123.459 1.704 26649 4297 1 11 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.619 -0.431 26649 4298 1 11 . 1 1 46 46 ARG C C 46 174.870 174.870 174.763 0.107 26649 4299 1 11 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.229 2.260 26649 4300 1 11 . 1 1 46 46 ARG CB C 46 35.647 35.647 32.296 3.351 26649 4301 1 11 . 1 1 46 46 ARG H H 46 8.105 8.105 8.167 -0.062 26649 4302 1 11 . 1 1 47 47 ILE N N 47 126.439 126.439 120.943 5.496 26649 4303 1 11 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.245 -0.271 26649 4304 1 11 . 1 1 47 47 ILE C C 47 173.723 173.723 175.712 -1.989 26649 4305 1 11 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.306 1.906 26649 4306 1 11 . 1 1 47 47 ILE CB C 47 42.293 42.293 40.609 1.684 26649 4307 1 11 . 1 1 47 47 ILE H H 47 8.072 8.072 8.209 -0.137 26649 4308 1 11 . 1 1 48 48 LEU N N 48 127.845 127.845 126.599 1.246 26649 4309 1 11 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.233 0.488 26649 4310 1 11 . 1 1 48 48 LEU C C 48 177.100 177.100 176.810 0.290 26649 4311 1 11 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.988 0.654 26649 4312 1 11 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.404 5.604 26649 4313 1 11 . 1 1 48 48 LEU H H 48 8.662 8.662 8.302 0.360 26649 4314 1 11 . 1 1 49 49 THR N N 49 115.775 115.775 120.693 -4.918 26649 4315 1 11 . 1 1 49 49 THR HA H 49 3.611 3.611 4.207 -0.596 26649 4316 1 11 . 1 1 49 49 THR C C 49 175.507 175.507 174.712 0.795 26649 4317 1 11 . 1 1 49 49 THR CA C 49 67.651 67.651 64.154 3.497 26649 4318 1 11 . 1 1 49 49 THR CB C 49 71.174 71.174 69.240 1.934 26649 4319 1 11 . 1 1 49 49 THR H H 49 8.281 8.281 8.203 0.078 26649 4320 1 11 . 1 1 50 50 GLY N N 50 116.246 116.246 115.424 0.822 26649 4321 1 11 . 1 1 50 50 GLY C C 50 174.433 174.433 172.738 1.695 26649 4322 1 11 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.900 1.979 26649 4323 1 11 . 1 1 50 50 GLY H H 50 9.211 9.211 8.672 0.539 26649 4324 1 11 . 1 1 51 51 ASP N N 51 121.695 121.695 119.987 1.708 26649 4325 1 11 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.641 -0.066 26649 4326 1 11 . 1 1 51 51 ASP C C 51 175.571 175.571 175.656 -0.085 26649 4327 1 11 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.358 6.093 26649 4328 1 11 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.574 2.895 26649 4329 1 11 . 1 1 51 51 ASP H H 51 8.114 8.114 7.671 0.443 26649 4330 1 11 . 1 1 52 52 LYS N N 52 121.380 121.380 123.615 -2.235 26649 4331 1 11 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.620 0.474 26649 4332 1 11 . 1 1 52 52 LYS C C 52 176.630 176.630 176.236 0.394 26649 4333 1 11 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.949 0.143 26649 4334 1 11 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.364 4.543 26649 4335 1 11 . 1 1 52 52 LYS H H 52 8.504 8.504 8.121 0.383 26649 4336 1 11 . 1 1 53 53 VAL N N 53 115.067 115.067 118.907 -3.840 26649 4337 1 11 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.122 0.061 26649 4338 1 11 . 1 1 53 53 VAL C C 53 174.865 174.865 174.654 0.211 26649 4339 1 11 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.702 0.340 26649 4340 1 11 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.437 3.086 26649 4341 1 11 . 1 1 53 53 VAL H H 53 8.730 8.730 9.009 -0.279 26649 4342 1 11 . 1 1 54 54 ARG N N 54 118.772 118.772 121.727 -2.955 26649 4343 1 11 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.553 0.341 26649 4344 1 11 . 1 1 54 54 ARG C C 54 175.140 175.140 175.292 -0.152 26649 4345 1 11 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.516 1.121 26649 4346 1 11 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.275 6.268 26649 4347 1 11 . 1 1 54 54 ARG H H 54 8.208 8.208 9.070 -0.862 26649 4348 1 11 . 1 1 55 55 VAL N N 55 121.560 121.560 127.076 -5.516 26649 4349 1 11 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.183 -0.441 26649 4350 1 11 . 1 1 55 55 VAL C C 55 173.816 173.816 175.367 -1.551 26649 4351 1 11 . 1 1 55 55 VAL CA C 55 60.803 60.803 61.072 -0.269 26649 4352 1 11 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.731 2.990 26649 4353 1 11 . 1 1 55 55 VAL H H 55 8.961 8.961 9.086 -0.125 26649 4354 1 11 . 1 1 56 56 GLU N N 56 126.127 126.127 124.679 1.448 26649 4355 1 11 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.306 -0.403 26649 4356 1 11 . 1 1 56 56 GLU C C 56 176.010 176.010 176.149 -0.139 26649 4357 1 11 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.639 1.128 26649 4358 1 11 . 1 1 56 56 GLU CB C 56 36.230 36.230 31.052 5.178 26649 4359 1 11 . 1 1 56 56 GLU H H 56 9.296 9.296 8.228 1.068 26649 4360 1 11 . 1 1 57 57 LEU N N 57 129.725 129.725 126.811 2.914 26649 4361 1 11 . 1 1 57 57 LEU HA H 57 4.731 4.731 5.043 -0.312 26649 4362 1 11 . 1 1 57 57 LEU C C 57 175.520 175.520 177.191 -1.671 26649 4363 1 11 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.907 2.280 26649 4364 1 11 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.708 2.332 26649 4365 1 11 . 1 1 57 57 LEU H H 57 9.057 9.057 8.850 0.207 26649 4366 1 11 . 1 1 58 58 THR N N 58 114.373 114.373 112.268 2.105 26649 4367 1 11 . 1 1 58 58 THR HA H 58 4.684 4.684 5.063 -0.379 26649 4368 1 11 . 1 1 58 58 THR CA C 58 59.837 59.837 58.910 0.927 26649 4369 1 11 . 1 1 58 58 THR CB C 58 71.774 71.774 70.373 1.401 26649 4370 1 11 . 1 1 58 58 THR H H 58 8.645 8.645 8.107 0.538 26649 4371 1 11 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.261 -0.145 26649 4372 1 11 . 1 1 59 59 PRO C C 59 176.717 176.717 176.783 -0.066 26649 4373 1 11 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.883 2.446 26649 4374 1 11 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.327 5.069 26649 4375 1 11 . 1 1 60 60 TYR N N 60 113.100 113.100 116.882 -3.782 26649 4376 1 11 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.452 -0.019 26649 4377 1 11 . 1 1 60 60 TYR C C 60 175.684 175.684 176.005 -0.321 26649 4378 1 11 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.538 -0.484 26649 4379 1 11 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.903 3.442 26649 4380 1 11 . 1 1 60 60 TYR H H 60 7.057 7.057 8.097 -1.040 26649 4381 1 11 . 1 1 61 61 ASP N N 61 118.239 118.239 117.675 0.564 26649 4382 1 11 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.808 -0.101 26649 4383 1 11 . 1 1 61 61 ASP C C 61 175.155 175.155 175.682 -0.527 26649 4384 1 11 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.090 3.146 26649 4385 1 11 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.572 4.545 26649 4386 1 11 . 1 1 61 61 ASP H H 61 7.349 7.349 7.907 -0.558 26649 4387 1 11 . 1 1 62 62 LEU N N 62 124.571 124.571 119.837 4.734 26649 4388 1 11 . 1 1 62 62 LEU HA H 62 4.400 4.400 3.942 0.458 26649 4389 1 11 . 1 1 62 62 LEU C C 62 176.534 176.534 178.342 -1.808 26649 4390 1 11 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.498 -0.434 26649 4391 1 11 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.763 3.703 26649 4392 1 11 . 1 1 62 62 LEU H H 62 8.713 8.713 8.443 0.270 26649 4393 1 11 . 1 1 63 63 SER N N 63 113.199 113.199 108.598 4.601 26649 4394 1 11 . 1 1 63 63 SER HA H 63 4.672 4.672 4.110 0.562 26649 4395 1 11 . 1 1 63 63 SER C C 63 174.199 174.199 174.345 -0.146 26649 4396 1 11 . 1 1 63 63 SER CA C 63 60.593 60.593 59.817 0.776 26649 4397 1 11 . 1 1 63 63 SER CB C 63 69.233 69.233 63.052 6.181 26649 4398 1 11 . 1 1 63 63 SER H H 63 8.515 8.515 8.248 0.267 26649 4399 1 11 . 1 1 64 64 LYS N N 64 122.388 122.388 119.756 2.632 26649 4400 1 11 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.106 0.357 26649 4401 1 11 . 1 1 64 64 LYS C C 64 174.870 174.870 175.363 -0.493 26649 4402 1 11 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.053 0.535 26649 4403 1 11 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.464 4.695 26649 4404 1 11 . 1 1 64 64 LYS H H 64 7.646 7.646 7.779 -0.133 26649 4405 1 11 . 1 1 65 65 GLY N N 65 103.185 103.185 108.403 -5.218 26649 4406 1 11 . 1 1 65 65 GLY C C 65 171.434 171.434 172.315 -0.881 26649 4407 1 11 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.450 2.835 26649 4408 1 11 . 1 1 65 65 GLY H H 65 7.803 7.803 8.475 -0.672 26649 4409 1 11 . 1 1 66 66 ARG N N 66 118.652 118.652 117.328 1.324 26649 4410 1 11 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.908 0.058 26649 4411 1 11 . 1 1 66 66 ARG C C 66 175.315 175.315 174.599 0.716 26649 4412 1 11 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.449 0.486 26649 4413 1 11 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.834 3.186 26649 4414 1 11 . 1 1 66 66 ARG H H 66 8.468 8.468 8.110 0.358 26649 4415 1 11 . 1 1 67 67 ILE N N 67 125.685 125.685 121.519 4.166 26649 4416 1 11 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.780 -0.257 26649 4417 1 11 . 1 1 67 67 ILE C C 67 175.888 175.888 175.271 0.617 26649 4418 1 11 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.685 4.293 26649 4419 1 11 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.503 3.170 26649 4420 1 11 . 1 1 67 67 ILE H H 67 9.078 9.078 8.091 0.987 26649 4421 1 11 . 1 1 68 68 THR N N 68 117.575 117.575 119.693 -2.118 26649 4422 1 11 . 1 1 68 68 THR HA H 68 4.485 4.485 4.475 0.010 26649 4423 1 11 . 1 1 68 68 THR C C 68 174.989 174.989 172.873 2.116 26649 4424 1 11 . 1 1 68 68 THR CA C 68 64.174 64.174 61.434 2.740 26649 4425 1 11 . 1 1 68 68 THR CB C 68 72.920 72.920 69.816 3.104 26649 4426 1 11 . 1 1 68 68 THR H H 68 8.649 8.649 8.473 0.176 26649 4427 1 11 . 1 1 69 69 TYR N N 69 122.143 122.143 122.183 -0.040 26649 4428 1 11 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.267 0.324 26649 4429 1 11 . 1 1 69 69 TYR C C 69 172.880 172.880 172.820 0.060 26649 4430 1 11 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.631 4.173 26649 4431 1 11 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.251 6.159 26649 4432 1 11 . 1 1 69 69 TYR H H 69 7.538 7.538 8.211 -0.673 26649 4433 1 11 . 1 1 70 70 ARG N N 70 126.202 126.202 123.681 2.521 26649 4434 1 11 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.265 -0.649 26649 4435 1 11 . 1 1 70 70 ARG C C 70 173.644 173.644 173.885 -0.241 26649 4436 1 11 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.123 3.748 26649 4437 1 11 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.093 3.293 26649 4438 1 11 . 1 1 70 70 ARG H H 70 7.716 7.716 7.849 -0.133 26649 4439 1 11 . 1 1 71 71 ALA N N 71 128.442 128.442 122.491 5.951 26649 4440 1 11 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.656 -0.560 26649 4441 1 11 . 1 1 71 71 ALA C C 71 176.753 176.753 175.965 0.788 26649 4442 1 11 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.711 4.555 26649 4443 1 11 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.680 -0.469 26649 4444 1 11 . 1 1 71 71 ALA H H 71 8.456 8.456 8.963 -0.507 26649 4445 1 12 . 1 1 2 2 SER N N 2 116.344 116.344 114.448 1.896 26649 4446 1 12 . 1 1 2 2 SER HA H 2 4.543 4.543 4.727 -0.184 26649 4447 1 12 . 1 1 2 2 SER C C 2 174.500 174.500 173.759 0.741 26649 4448 1 12 . 1 1 2 2 SER CA C 2 61.592 61.592 57.912 3.680 26649 4449 1 12 . 1 1 2 2 SER CB C 2 68.657 68.657 64.409 4.248 26649 4450 1 12 . 1 1 2 2 SER H H 2 8.756 8.756 8.151 0.605 26649 4451 1 12 . 1 1 3 3 LYS N N 3 123.531 123.531 121.534 1.997 26649 4452 1 12 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.208 0.117 26649 4453 1 12 . 1 1 3 3 LYS C C 3 176.570 176.570 176.665 -0.095 26649 4454 1 12 . 1 1 3 3 LYS CA C 3 59.818 59.818 57.322 2.496 26649 4455 1 12 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.680 4.813 26649 4456 1 12 . 1 1 3 3 LYS H H 3 8.582 8.582 8.150 0.432 26649 4457 1 12 . 1 1 4 4 GLU N N 4 121.085 121.085 117.432 3.653 26649 4458 1 12 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.532 -0.190 26649 4459 1 12 . 1 1 4 4 GLU C C 4 176.071 176.071 174.486 1.585 26649 4460 1 12 . 1 1 4 4 GLU CA C 4 59.923 59.923 55.414 4.509 26649 4461 1 12 . 1 1 4 4 GLU CB C 4 34.420 34.420 31.757 2.663 26649 4462 1 12 . 1 1 4 4 GLU H H 4 8.488 8.488 8.104 0.384 26649 4463 1 12 . 1 1 5 5 ASP N N 5 120.965 120.965 120.412 0.553 26649 4464 1 12 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.867 -0.213 26649 4465 1 12 . 1 1 5 5 ASP C C 5 175.760 175.760 175.986 -0.226 26649 4466 1 12 . 1 1 5 5 ASP CA C 5 57.262 57.262 53.248 4.014 26649 4467 1 12 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.659 3.946 26649 4468 1 12 . 1 1 5 5 ASP H H 5 8.235 8.235 8.212 0.023 26649 4469 1 12 . 1 1 6 6 SER N N 6 114.678 114.678 114.241 0.437 26649 4470 1 12 . 1 1 6 6 SER HA H 6 4.783 4.783 4.484 0.299 26649 4471 1 12 . 1 1 6 6 SER C C 6 173.417 173.417 173.639 -0.222 26649 4472 1 12 . 1 1 6 6 SER CA C 6 62.802 62.802 59.167 3.635 26649 4473 1 12 . 1 1 6 6 SER CB C 6 69.115 69.115 64.287 4.828 26649 4474 1 12 . 1 1 6 6 SER H H 6 8.018 8.018 8.459 -0.441 26649 4475 1 12 . 1 1 7 7 PHE N N 7 119.686 119.686 120.519 -0.833 26649 4476 1 12 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.711 0.150 26649 4477 1 12 . 1 1 7 7 PHE C C 7 173.245 173.245 173.535 -0.290 26649 4478 1 12 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.846 0.576 26649 4479 1 12 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.631 1.099 26649 4480 1 12 . 1 1 7 7 PHE H H 7 8.612 8.612 8.159 0.453 26649 4481 1 12 . 1 1 8 8 GLU N N 8 119.627 119.627 125.656 -6.029 26649 4482 1 12 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.094 0.301 26649 4483 1 12 . 1 1 8 8 GLU C C 8 176.059 176.059 175.330 0.729 26649 4484 1 12 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.463 0.889 26649 4485 1 12 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.528 5.881 26649 4486 1 12 . 1 1 8 8 GLU H H 8 8.362 8.362 8.042 0.320 26649 4487 1 12 . 1 1 9 9 MET N N 9 121.547 121.547 124.771 -3.224 26649 4488 1 12 . 1 1 9 9 MET HA H 9 4.796 4.796 4.680 0.116 26649 4489 1 12 . 1 1 9 9 MET C C 9 174.247 174.247 174.086 0.161 26649 4490 1 12 . 1 1 9 9 MET CA C 9 57.733 57.733 54.837 2.896 26649 4491 1 12 . 1 1 9 9 MET CB C 9 42.776 42.776 36.938 5.838 26649 4492 1 12 . 1 1 9 9 MET H H 9 8.895 8.895 8.952 -0.057 26649 4493 1 12 . 1 1 10 10 GLU N N 10 122.112 122.112 123.777 -1.665 26649 4494 1 12 . 1 1 10 10 GLU HA H 10 4.988 4.988 4.953 0.035 26649 4495 1 12 . 1 1 10 10 GLU C C 10 176.016 176.016 176.508 -0.492 26649 4496 1 12 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.373 0.312 26649 4497 1 12 . 1 1 10 10 GLU CB C 10 35.792 35.792 31.006 4.786 26649 4498 1 12 . 1 1 10 10 GLU H H 10 8.820 8.820 8.615 0.205 26649 4499 1 12 . 1 1 11 11 GLY N N 11 106.766 106.766 108.558 -1.792 26649 4500 1 12 . 1 1 11 11 GLY C C 11 171.420 171.420 172.436 -1.016 26649 4501 1 12 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.159 2.949 26649 4502 1 12 . 1 1 11 11 GLY H H 11 8.771 8.771 8.838 -0.067 26649 4503 1 12 . 1 1 12 12 THR N N 12 116.018 116.018 115.129 0.889 26649 4504 1 12 . 1 1 12 12 THR HA H 12 5.118 5.118 5.114 0.004 26649 4505 1 12 . 1 1 12 12 THR C C 12 174.240 174.240 173.855 0.385 26649 4506 1 12 . 1 1 12 12 THR CA C 12 64.101 64.101 60.650 3.451 26649 4507 1 12 . 1 1 12 12 THR CB C 12 74.309 74.309 71.361 2.948 26649 4508 1 12 . 1 1 12 12 THR H H 12 8.434 8.434 8.310 0.124 26649 4509 1 12 . 1 1 13 13 VAL N N 13 127.555 127.555 124.488 3.067 26649 4510 1 12 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.555 -0.536 26649 4511 1 12 . 1 1 13 13 VAL C C 13 176.464 176.464 174.537 1.927 26649 4512 1 12 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.595 6.072 26649 4513 1 12 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.536 4.465 26649 4514 1 12 . 1 1 13 13 VAL H H 13 9.177 9.177 8.327 0.850 26649 4515 1 12 . 1 1 14 14 VAL N N 14 124.300 124.300 125.031 -0.731 26649 4516 1 12 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.817 -0.158 26649 4517 1 12 . 1 1 14 14 VAL C C 14 175.424 175.424 174.734 0.690 26649 4518 1 12 . 1 1 14 14 VAL CA C 14 64.017 64.017 60.604 3.413 26649 4519 1 12 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.309 5.460 26649 4520 1 12 . 1 1 14 14 VAL H H 14 9.240 9.240 8.075 1.165 26649 4521 1 12 . 1 1 15 15 ASP N N 15 117.873 117.873 124.076 -6.203 26649 4522 1 12 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.698 0.302 26649 4523 1 12 . 1 1 15 15 ASP C C 15 175.239 175.239 174.487 0.752 26649 4524 1 12 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.466 2.019 26649 4525 1 12 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.290 2.908 26649 4526 1 12 . 1 1 15 15 ASP H H 15 7.912 7.912 8.308 -0.396 26649 4527 1 12 . 1 1 16 16 THR N N 16 115.850 115.850 119.105 -3.255 26649 4528 1 12 . 1 1 16 16 THR HA H 16 4.415 4.415 4.775 -0.360 26649 4529 1 12 . 1 1 16 16 THR C C 16 172.752 172.752 173.780 -1.028 26649 4530 1 12 . 1 1 16 16 THR CA C 16 64.002 64.002 61.365 2.637 26649 4531 1 12 . 1 1 16 16 THR CB C 16 73.042 73.042 68.668 4.374 26649 4532 1 12 . 1 1 16 16 THR H H 16 8.666 8.666 8.413 0.253 26649 4533 1 12 . 1 1 17 17 LEU N N 17 124.937 124.937 128.741 -3.804 26649 4534 1 12 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.786 -0.089 26649 4535 1 12 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.813 1.441 26649 4536 1 12 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.354 1.148 26649 4537 1 12 . 1 1 17 17 LEU H H 17 7.894 7.894 8.002 -0.108 26649 4538 1 12 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.640 -0.268 26649 4539 1 12 . 1 1 18 18 PRO C C 18 175.846 175.846 176.010 -0.164 26649 4540 1 12 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.648 2.579 26649 4541 1 12 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.257 4.696 26649 4542 1 12 . 1 1 19 19 ASN N N 19 114.919 114.919 116.587 -1.668 26649 4543 1 12 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.485 -0.140 26649 4544 1 12 . 1 1 19 19 ASN C C 19 175.137 175.137 174.330 0.807 26649 4545 1 12 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.580 3.201 26649 4546 1 12 . 1 1 19 19 ASN CB C 19 41.332 41.332 36.847 4.485 26649 4547 1 12 . 1 1 19 19 ASN H H 19 8.714 8.714 8.745 -0.031 26649 4548 1 12 . 1 1 20 20 THR N N 20 110.616 110.616 107.721 2.895 26649 4549 1 12 . 1 1 20 20 THR HA H 20 3.881 3.881 3.788 0.093 26649 4550 1 12 . 1 1 20 20 THR C C 20 172.384 172.384 172.709 -0.325 26649 4551 1 12 . 1 1 20 20 THR CA C 20 65.985 65.985 63.514 2.471 26649 4552 1 12 . 1 1 20 20 THR CB C 20 70.012 70.012 67.025 2.986 26649 4553 1 12 . 1 1 20 20 THR H H 20 8.579 8.579 8.345 0.234 26649 4554 1 12 . 1 1 21 21 MET N N 21 115.910 115.910 117.305 -1.395 26649 4555 1 12 . 1 1 21 21 MET HA H 21 5.074 5.074 4.591 0.483 26649 4556 1 12 . 1 1 21 21 MET C C 21 175.080 175.080 173.250 1.830 26649 4557 1 12 . 1 1 21 21 MET CA C 21 54.347 54.347 54.471 -0.124 26649 4558 1 12 . 1 1 21 21 MET CB C 21 38.359 38.359 37.487 0.872 26649 4559 1 12 . 1 1 21 21 MET H H 21 6.314 6.314 6.881 -0.567 26649 4560 1 12 . 1 1 22 22 PHE N N 22 115.989 115.989 115.609 0.380 26649 4561 1 12 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.134 -0.137 26649 4562 1 12 . 1 1 22 22 PHE C C 22 174.953 174.953 173.848 1.105 26649 4563 1 12 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.403 2.088 26649 4564 1 12 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.097 5.119 26649 4565 1 12 . 1 1 22 22 PHE H H 22 8.744 8.744 8.736 0.008 26649 4566 1 12 . 1 1 23 23 ARG N N 23 122.523 122.523 121.403 1.120 26649 4567 1 12 . 1 1 23 23 ARG HA H 23 5.236 5.236 4.866 0.370 26649 4568 1 12 . 1 1 23 23 ARG C C 23 175.828 175.828 174.721 1.107 26649 4569 1 12 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.519 0.550 26649 4570 1 12 . 1 1 23 23 ARG CB C 23 35.838 35.838 32.456 3.382 26649 4571 1 12 . 1 1 23 23 ARG H H 23 8.661 8.661 8.214 0.447 26649 4572 1 12 . 1 1 24 24 VAL N N 24 126.448 126.448 126.458 -0.010 26649 4573 1 12 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.846 -0.162 26649 4574 1 12 . 1 1 24 24 VAL C C 24 173.637 173.637 174.883 -1.246 26649 4575 1 12 . 1 1 24 24 VAL CA C 24 62.771 62.771 60.684 2.087 26649 4576 1 12 . 1 1 24 24 VAL CB C 24 39.529 39.529 33.642 5.887 26649 4577 1 12 . 1 1 24 24 VAL H H 24 9.342 9.342 9.256 0.086 26649 4578 1 12 . 1 1 25 25 GLU N N 25 128.611 128.611 127.974 0.637 26649 4579 1 12 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.666 0.047 26649 4580 1 12 . 1 1 25 25 GLU C C 25 176.160 176.160 175.639 0.521 26649 4581 1 12 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.934 0.447 26649 4582 1 12 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.073 4.098 26649 4583 1 12 . 1 1 25 25 GLU H H 25 9.125 9.125 9.239 -0.114 26649 4584 1 12 . 1 1 26 26 LEU N N 26 129.185 129.185 125.651 3.534 26649 4585 1 12 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.745 0.084 26649 4586 1 12 . 1 1 26 26 LEU C C 26 179.291 179.291 177.010 2.281 26649 4587 1 12 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.101 3.037 26649 4588 1 12 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.267 5.027 26649 4589 1 12 . 1 1 26 26 LEU H H 26 9.305 9.305 8.710 0.595 26649 4590 1 12 . 1 1 27 27 GLU N N 27 119.943 119.943 121.034 -1.091 26649 4591 1 12 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.919 0.219 26649 4592 1 12 . 1 1 27 27 GLU C C 27 175.981 175.981 176.580 -0.599 26649 4593 1 12 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.445 1.900 26649 4594 1 12 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.566 5.457 26649 4595 1 12 . 1 1 27 27 GLU H H 27 8.624 8.624 8.419 0.205 26649 4596 1 12 . 1 1 28 28 ASN N N 28 114.077 114.077 117.102 -3.025 26649 4597 1 12 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.591 0.045 26649 4598 1 12 . 1 1 28 28 ASN C C 28 176.489 176.489 175.334 1.155 26649 4599 1 12 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.395 1.914 26649 4600 1 12 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.705 4.482 26649 4601 1 12 . 1 1 28 28 ASN H H 28 7.268 7.268 8.064 -0.796 26649 4602 1 12 . 1 1 29 29 GLY N N 29 108.202 108.202 105.038 3.164 26649 4603 1 12 . 1 1 29 29 GLY C C 29 174.446 174.446 174.029 0.417 26649 4604 1 12 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.868 2.454 26649 4605 1 12 . 1 1 29 29 GLY H H 29 8.367 8.367 7.897 0.470 26649 4606 1 12 . 1 1 30 30 HIS N N 30 119.105 119.105 119.654 -0.549 26649 4607 1 12 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.032 -0.317 26649 4608 1 12 . 1 1 30 30 HIS C C 30 173.468 173.468 173.529 -0.061 26649 4609 1 12 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.369 3.684 26649 4610 1 12 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.113 0.596 26649 4611 1 12 . 1 1 30 30 HIS H H 30 7.954 7.954 8.768 -0.814 26649 4612 1 12 . 1 1 31 31 VAL N N 31 124.046 124.046 121.152 2.894 26649 4613 1 12 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.491 0.560 26649 4614 1 12 . 1 1 31 31 VAL C C 31 176.209 176.209 174.142 2.067 26649 4615 1 12 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.962 1.607 26649 4616 1 12 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.544 0.510 26649 4617 1 12 . 1 1 31 31 VAL H H 31 8.601 8.601 8.478 0.123 26649 4618 1 12 . 1 1 32 32 VAL N N 32 120.179 120.179 124.508 -4.329 26649 4619 1 12 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.474 0.312 26649 4620 1 12 . 1 1 32 32 VAL C C 32 175.124 175.124 174.221 0.903 26649 4621 1 12 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.654 -0.791 26649 4622 1 12 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.538 3.291 26649 4623 1 12 . 1 1 32 32 VAL H H 32 8.966 8.966 9.192 -0.226 26649 4624 1 12 . 1 1 33 33 THR N N 33 118.645 118.645 117.666 0.979 26649 4625 1 12 . 1 1 33 33 THR HA H 33 5.061 5.061 5.079 -0.018 26649 4626 1 12 . 1 1 33 33 THR C C 33 174.171 174.171 173.016 1.155 26649 4627 1 12 . 1 1 33 33 THR CA C 33 65.278 65.278 61.592 3.686 26649 4628 1 12 . 1 1 33 33 THR CB C 33 72.059 72.059 69.993 2.066 26649 4629 1 12 . 1 1 33 33 THR H H 33 8.235 8.235 8.178 0.057 26649 4630 1 12 . 1 1 34 34 ALA N N 34 129.128 129.128 128.260 0.868 26649 4631 1 12 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.481 0.091 26649 4632 1 12 . 1 1 34 34 ALA C C 34 175.686 175.686 174.902 0.784 26649 4633 1 12 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.213 3.843 26649 4634 1 12 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.876 2.158 26649 4635 1 12 . 1 1 34 34 ALA H H 34 9.777 9.777 8.889 0.888 26649 4636 1 12 . 1 1 35 35 HIS N N 35 116.059 116.059 117.007 -0.948 26649 4637 1 12 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.175 0.336 26649 4638 1 12 . 1 1 35 35 HIS C C 35 174.302 174.302 173.139 1.163 26649 4639 1 12 . 1 1 35 35 HIS CA C 35 57.051 57.051 55.474 1.577 26649 4640 1 12 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.805 2.881 26649 4641 1 12 . 1 1 35 35 HIS H H 35 7.712 7.712 8.619 -0.907 26649 4642 1 12 . 1 1 36 36 ILE N N 36 119.551 119.551 125.892 -6.341 26649 4643 1 12 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.104 0.405 26649 4644 1 12 . 1 1 36 36 ILE C C 36 175.686 175.686 174.851 0.835 26649 4645 1 12 . 1 1 36 36 ILE CA C 36 62.671 62.671 58.929 3.741 26649 4646 1 12 . 1 1 36 36 ILE CB C 36 41.175 41.175 40.283 0.892 26649 4647 1 12 . 1 1 36 36 ILE H H 36 9.509 9.509 8.347 1.162 26649 4648 1 12 . 1 1 37 37 SER N N 37 120.084 120.084 122.185 -2.101 26649 4649 1 12 . 1 1 37 37 SER HA H 37 4.543 4.543 4.332 0.211 26649 4650 1 12 . 1 1 37 37 SER C C 37 175.073 175.073 175.881 -0.808 26649 4651 1 12 . 1 1 37 37 SER CA C 37 61.428 61.428 58.762 2.666 26649 4652 1 12 . 1 1 37 37 SER CB C 37 69.228 69.228 63.934 5.293 26649 4653 1 12 . 1 1 37 37 SER H H 37 8.427 8.427 8.455 -0.028 26649 4654 1 12 . 1 1 38 38 GLY N N 38 112.268 112.268 109.890 2.378 26649 4655 1 12 . 1 1 38 38 GLY C C 38 176.124 176.124 175.999 0.125 26649 4656 1 12 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.308 2.986 26649 4657 1 12 . 1 1 38 38 GLY H H 38 9.059 9.059 8.986 0.073 26649 4658 1 12 . 1 1 39 39 LYS N N 39 121.027 121.027 122.162 -1.135 26649 4659 1 12 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.036 0.075 26649 4660 1 12 . 1 1 39 39 LYS C C 39 178.155 178.155 178.844 -0.689 26649 4661 1 12 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.495 2.058 26649 4662 1 12 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.380 4.842 26649 4663 1 12 . 1 1 39 39 LYS H H 39 8.346 8.346 8.181 0.165 26649 4664 1 12 . 1 1 40 40 MET N N 40 118.288 118.288 116.204 2.084 26649 4665 1 12 . 1 1 40 40 MET HA H 40 4.281 4.281 4.262 0.019 26649 4666 1 12 . 1 1 40 40 MET C C 40 177.179 177.179 178.786 -1.607 26649 4667 1 12 . 1 1 40 40 MET CA C 40 58.000 58.000 57.852 0.148 26649 4668 1 12 . 1 1 40 40 MET CB C 40 36.025 36.025 31.679 4.346 26649 4669 1 12 . 1 1 40 40 MET H H 40 7.741 7.741 7.728 0.013 26649 4670 1 12 . 1 1 41 41 ARG N N 41 119.988 119.988 118.674 1.314 26649 4671 1 12 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.304 -0.243 26649 4672 1 12 . 1 1 41 41 ARG C C 41 177.749 177.749 178.294 -0.545 26649 4673 1 12 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.979 0.557 26649 4674 1 12 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.313 1.783 26649 4675 1 12 . 1 1 41 41 ARG H H 41 7.948 7.948 7.500 0.448 26649 4676 1 12 . 1 1 42 42 LYS N N 42 119.136 119.136 116.601 2.535 26649 4677 1 12 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.223 -0.145 26649 4678 1 12 . 1 1 42 42 LYS C C 42 176.430 176.430 177.953 -1.523 26649 4679 1 12 . 1 1 42 42 LYS CA C 42 58.518 58.518 57.756 0.762 26649 4680 1 12 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.434 4.655 26649 4681 1 12 . 1 1 42 42 LYS H H 42 7.895 7.895 7.986 -0.091 26649 4682 1 12 . 1 1 43 43 ASN N N 43 116.823 116.823 114.812 2.011 26649 4683 1 12 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.548 0.118 26649 4684 1 12 . 1 1 43 43 ASN C C 43 174.310 174.310 174.149 0.161 26649 4685 1 12 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.401 1.541 26649 4686 1 12 . 1 1 43 43 ASN CB C 43 43.371 43.371 40.772 2.599 26649 4687 1 12 . 1 1 43 43 ASN H H 43 7.840 7.840 7.718 0.122 26649 4688 1 12 . 1 1 44 44 TYR N N 44 118.475 118.475 117.611 0.864 26649 4689 1 12 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.581 -0.224 26649 4690 1 12 . 1 1 44 44 TYR C C 44 175.072 175.072 174.186 0.886 26649 4691 1 12 . 1 1 44 44 TYR CA C 44 59.757 59.757 57.127 2.630 26649 4692 1 12 . 1 1 44 44 TYR CB C 44 42.222 42.222 41.044 1.178 26649 4693 1 12 . 1 1 44 44 TYR H H 44 7.701 7.701 7.810 -0.109 26649 4694 1 12 . 1 1 45 45 ILE N N 45 123.061 123.061 121.989 1.072 26649 4695 1 12 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.987 -0.075 26649 4696 1 12 . 1 1 45 45 ILE C C 45 174.790 174.790 175.965 -1.175 26649 4697 1 12 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.561 0.374 26649 4698 1 12 . 1 1 45 45 ILE CB C 45 40.718 40.718 39.613 1.105 26649 4699 1 12 . 1 1 45 45 ILE H H 45 7.538 7.538 8.359 -0.821 26649 4700 1 12 . 1 1 46 46 ARG N N 46 125.163 125.163 123.123 2.040 26649 4701 1 12 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.222 -0.034 26649 4702 1 12 . 1 1 46 46 ARG C C 46 174.870 174.870 175.479 -0.609 26649 4703 1 12 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.350 1.139 26649 4704 1 12 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.414 5.233 26649 4705 1 12 . 1 1 46 46 ARG H H 46 8.105 8.105 8.320 -0.216 26649 4706 1 12 . 1 1 47 47 ILE N N 47 126.439 126.439 125.448 0.991 26649 4707 1 12 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.140 -0.166 26649 4708 1 12 . 1 1 47 47 ILE C C 47 173.723 173.723 175.650 -1.927 26649 4709 1 12 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.483 1.729 26649 4710 1 12 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.794 2.499 26649 4711 1 12 . 1 1 47 47 ILE H H 47 8.072 8.072 8.245 -0.173 26649 4712 1 12 . 1 1 48 48 LEU N N 48 127.845 127.845 123.686 4.159 26649 4713 1 12 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.410 0.311 26649 4714 1 12 . 1 1 48 48 LEU C C 48 177.100 177.100 176.856 0.244 26649 4715 1 12 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.738 0.904 26649 4716 1 12 . 1 1 48 48 LEU CB C 48 48.008 48.008 42.247 5.761 26649 4717 1 12 . 1 1 48 48 LEU H H 48 8.662 8.662 8.101 0.561 26649 4718 1 12 . 1 1 49 49 THR N N 49 115.775 115.775 115.425 0.350 26649 4719 1 12 . 1 1 49 49 THR HA H 49 3.611 3.611 4.080 -0.469 26649 4720 1 12 . 1 1 49 49 THR C C 49 175.507 175.507 174.785 0.722 26649 4721 1 12 . 1 1 49 49 THR CA C 49 67.651 67.651 63.048 4.603 26649 4722 1 12 . 1 1 49 49 THR CB C 49 71.174 71.174 69.234 1.940 26649 4723 1 12 . 1 1 49 49 THR H H 49 8.281 8.281 8.170 0.111 26649 4724 1 12 . 1 1 50 50 GLY N N 50 116.246 116.246 116.182 0.064 26649 4725 1 12 . 1 1 50 50 GLY C C 50 174.433 174.433 172.790 1.643 26649 4726 1 12 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.815 2.064 26649 4727 1 12 . 1 1 50 50 GLY H H 50 9.211 9.211 8.866 0.345 26649 4728 1 12 . 1 1 51 51 ASP N N 51 121.695 121.695 122.050 -0.355 26649 4729 1 12 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.657 -0.082 26649 4730 1 12 . 1 1 51 51 ASP C C 51 175.571 175.571 175.526 0.045 26649 4731 1 12 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.465 4.987 26649 4732 1 12 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.807 2.662 26649 4733 1 12 . 1 1 51 51 ASP H H 51 8.114 8.114 7.649 0.465 26649 4734 1 12 . 1 1 52 52 LYS N N 52 121.380 121.380 124.869 -3.489 26649 4735 1 12 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.447 0.647 26649 4736 1 12 . 1 1 52 52 LYS C C 52 176.630 176.630 175.836 0.794 26649 4737 1 12 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.203 -0.111 26649 4738 1 12 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.511 4.396 26649 4739 1 12 . 1 1 52 52 LYS H H 52 8.504 8.504 8.087 0.417 26649 4740 1 12 . 1 1 53 53 VAL N N 53 115.067 115.067 119.569 -4.502 26649 4741 1 12 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.296 -0.113 26649 4742 1 12 . 1 1 53 53 VAL C C 53 174.865 174.865 174.259 0.606 26649 4743 1 12 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.348 0.694 26649 4744 1 12 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.859 2.664 26649 4745 1 12 . 1 1 53 53 VAL H H 53 8.730 8.730 9.227 -0.497 26649 4746 1 12 . 1 1 54 54 ARG N N 54 118.772 118.772 121.528 -2.756 26649 4747 1 12 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.876 0.018 26649 4748 1 12 . 1 1 54 54 ARG C C 54 175.140 175.140 175.211 -0.071 26649 4749 1 12 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.191 1.445 26649 4750 1 12 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.190 6.353 26649 4751 1 12 . 1 1 54 54 ARG H H 54 8.208 8.208 8.844 -0.636 26649 4752 1 12 . 1 1 55 55 VAL N N 55 121.560 121.560 126.045 -4.485 26649 4753 1 12 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.203 -0.461 26649 4754 1 12 . 1 1 55 55 VAL C C 55 173.816 173.816 174.918 -1.102 26649 4755 1 12 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.695 0.108 26649 4756 1 12 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.863 2.858 26649 4757 1 12 . 1 1 55 55 VAL H H 55 8.961 8.961 8.402 0.559 26649 4758 1 12 . 1 1 56 56 GLU N N 56 126.127 126.127 125.060 1.067 26649 4759 1 12 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.407 -0.504 26649 4760 1 12 . 1 1 56 56 GLU C C 56 176.010 176.010 175.331 0.679 26649 4761 1 12 . 1 1 56 56 GLU CA C 56 55.767 55.767 53.939 1.828 26649 4762 1 12 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.748 3.482 26649 4763 1 12 . 1 1 56 56 GLU H H 56 9.296 9.296 8.298 0.998 26649 4764 1 12 . 1 1 57 57 LEU N N 57 129.725 129.725 128.879 0.846 26649 4765 1 12 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.690 0.041 26649 4766 1 12 . 1 1 57 57 LEU C C 57 175.520 175.520 177.455 -1.935 26649 4767 1 12 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.855 2.333 26649 4768 1 12 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.147 2.893 26649 4769 1 12 . 1 1 57 57 LEU H H 57 9.057 9.057 9.178 -0.121 26649 4770 1 12 . 1 1 58 58 THR N N 58 114.373 114.373 115.226 -0.853 26649 4771 1 12 . 1 1 58 58 THR HA H 58 4.684 4.684 4.394 0.290 26649 4772 1 12 . 1 1 58 58 THR CA C 58 59.837 59.837 60.543 -0.706 26649 4773 1 12 . 1 1 58 58 THR CB C 58 71.774 71.774 68.227 3.547 26649 4774 1 12 . 1 1 58 58 THR H H 58 8.645 8.645 7.878 0.767 26649 4775 1 12 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.126 -0.010 26649 4776 1 12 . 1 1 59 59 PRO C C 59 176.717 176.717 176.716 0.001 26649 4777 1 12 . 1 1 59 59 PRO CA C 59 67.329 67.329 65.144 2.184 26649 4778 1 12 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.298 5.098 26649 4779 1 12 . 1 1 60 60 TYR N N 60 113.100 113.100 112.822 0.278 26649 4780 1 12 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.410 0.023 26649 4781 1 12 . 1 1 60 60 TYR C C 60 175.684 175.684 176.413 -0.729 26649 4782 1 12 . 1 1 60 60 TYR CA C 60 59.054 59.054 56.197 2.857 26649 4783 1 12 . 1 1 60 60 TYR CB C 60 42.345 42.345 37.461 4.884 26649 4784 1 12 . 1 1 60 60 TYR H H 60 7.057 7.057 6.863 0.194 26649 4785 1 12 . 1 1 61 61 ASP N N 61 118.239 118.239 118.875 -0.636 26649 4786 1 12 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.330 0.377 26649 4787 1 12 . 1 1 61 61 ASP C C 61 175.155 175.155 175.962 -0.807 26649 4788 1 12 . 1 1 61 61 ASP CA C 61 57.236 57.236 55.437 1.799 26649 4789 1 12 . 1 1 61 61 ASP CB C 61 45.118 45.118 39.846 5.272 26649 4790 1 12 . 1 1 61 61 ASP H H 61 7.349 7.349 8.219 -0.870 26649 4791 1 12 . 1 1 62 62 LEU N N 62 124.571 124.571 118.276 6.295 26649 4792 1 12 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.534 -0.134 26649 4793 1 12 . 1 1 62 62 LEU C C 62 176.534 176.534 177.621 -1.087 26649 4794 1 12 . 1 1 62 62 LEU CA C 62 57.064 57.064 55.988 1.076 26649 4795 1 12 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.924 3.542 26649 4796 1 12 . 1 1 62 62 LEU H H 62 8.713 8.713 8.212 0.501 26649 4797 1 12 . 1 1 63 63 SER N N 63 113.199 113.199 112.814 0.385 26649 4798 1 12 . 1 1 63 63 SER HA H 63 4.672 4.672 4.594 0.078 26649 4799 1 12 . 1 1 63 63 SER C C 63 174.199 174.199 173.339 0.860 26649 4800 1 12 . 1 1 63 63 SER CA C 63 60.593 60.593 57.855 2.738 26649 4801 1 12 . 1 1 63 63 SER CB C 63 69.233 69.233 64.198 5.035 26649 4802 1 12 . 1 1 63 63 SER H H 63 8.515 8.515 8.424 0.091 26649 4803 1 12 . 1 1 64 64 LYS N N 64 122.388 122.388 119.752 2.636 26649 4804 1 12 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.300 0.163 26649 4805 1 12 . 1 1 64 64 LYS C C 64 174.870 174.870 175.506 -0.636 26649 4806 1 12 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.655 0.933 26649 4807 1 12 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.467 4.692 26649 4808 1 12 . 1 1 64 64 LYS H H 64 7.646 7.646 7.769 -0.123 26649 4809 1 12 . 1 1 65 65 GLY N N 65 103.185 103.185 108.252 -5.067 26649 4810 1 12 . 1 1 65 65 GLY C C 65 171.434 171.434 172.349 -0.915 26649 4811 1 12 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.176 3.109 26649 4812 1 12 . 1 1 65 65 GLY H H 65 7.803 7.803 8.982 -1.179 26649 4813 1 12 . 1 1 66 66 ARG N N 66 118.652 118.652 117.357 1.295 26649 4814 1 12 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.813 0.153 26649 4815 1 12 . 1 1 66 66 ARG C C 66 175.315 175.315 174.314 1.001 26649 4816 1 12 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.603 0.332 26649 4817 1 12 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.785 3.235 26649 4818 1 12 . 1 1 66 66 ARG H H 66 8.468 8.468 8.258 0.210 26649 4819 1 12 . 1 1 67 67 ILE N N 67 125.685 125.685 121.711 3.974 26649 4820 1 12 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.850 -0.327 26649 4821 1 12 . 1 1 67 67 ILE C C 67 175.888 175.888 175.342 0.546 26649 4822 1 12 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.616 4.362 26649 4823 1 12 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.721 2.952 26649 4824 1 12 . 1 1 67 67 ILE H H 67 9.078 9.078 8.028 1.050 26649 4825 1 12 . 1 1 68 68 THR N N 68 117.575 117.575 118.296 -0.721 26649 4826 1 12 . 1 1 68 68 THR HA H 68 4.485 4.485 4.561 -0.076 26649 4827 1 12 . 1 1 68 68 THR C C 68 174.989 174.989 173.458 1.531 26649 4828 1 12 . 1 1 68 68 THR CA C 68 64.174 64.174 61.585 2.589 26649 4829 1 12 . 1 1 68 68 THR CB C 68 72.920 72.920 69.536 3.384 26649 4830 1 12 . 1 1 68 68 THR H H 68 8.649 8.649 8.332 0.317 26649 4831 1 12 . 1 1 69 69 TYR N N 69 122.143 122.143 121.417 0.726 26649 4832 1 12 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.341 0.250 26649 4833 1 12 . 1 1 69 69 TYR C C 69 172.880 172.880 173.148 -0.268 26649 4834 1 12 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.969 3.835 26649 4835 1 12 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.098 6.312 26649 4836 1 12 . 1 1 69 69 TYR H H 69 7.538 7.538 8.102 -0.564 26649 4837 1 12 . 1 1 70 70 ARG N N 70 126.202 126.202 124.486 1.716 26649 4838 1 12 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.179 -0.563 26649 4839 1 12 . 1 1 70 70 ARG C C 70 173.644 173.644 173.570 0.074 26649 4840 1 12 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.174 3.697 26649 4841 1 12 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.363 2.023 26649 4842 1 12 . 1 1 70 70 ARG H H 70 7.716 7.716 7.489 0.227 26649 4843 1 12 . 1 1 71 71 ALA N N 71 128.442 128.442 122.715 5.727 26649 4844 1 12 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.658 -0.562 26649 4845 1 12 . 1 1 71 71 ALA C C 71 176.753 176.753 175.561 1.192 26649 4846 1 12 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.386 4.880 26649 4847 1 12 . 1 1 71 71 ALA CB C 71 21.211 21.211 21.723 -0.512 26649 4848 1 12 . 1 1 71 71 ALA H H 71 8.456 8.456 8.830 -0.374 26649 4849 1 13 . 1 1 2 2 SER N N 2 116.344 116.344 118.727 -2.383 26649 4850 1 13 . 1 1 2 2 SER HA H 2 4.543 4.543 4.650 -0.107 26649 4851 1 13 . 1 1 2 2 SER C C 2 174.500 174.500 174.882 -0.382 26649 4852 1 13 . 1 1 2 2 SER CA C 2 61.592 61.592 58.694 2.898 26649 4853 1 13 . 1 1 2 2 SER CB C 2 68.657 68.657 63.807 4.850 26649 4854 1 13 . 1 1 2 2 SER H H 2 8.756 8.756 8.285 0.471 26649 4855 1 13 . 1 1 3 3 LYS N N 3 123.531 123.531 124.109 -0.578 26649 4856 1 13 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.454 -0.129 26649 4857 1 13 . 1 1 3 3 LYS C C 3 176.570 176.570 176.987 -0.417 26649 4858 1 13 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.301 3.517 26649 4859 1 13 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.377 5.116 26649 4860 1 13 . 1 1 3 3 LYS H H 3 8.582 8.582 8.654 -0.072 26649 4861 1 13 . 1 1 4 4 GLU N N 4 121.085 121.085 120.546 0.539 26649 4862 1 13 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.298 0.044 26649 4863 1 13 . 1 1 4 4 GLU C C 4 176.071 176.071 175.628 0.443 26649 4864 1 13 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.502 3.421 26649 4865 1 13 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.731 3.689 26649 4866 1 13 . 1 1 4 4 GLU H H 4 8.488 8.488 7.971 0.517 26649 4867 1 13 . 1 1 5 5 ASP N N 5 120.965 120.965 119.983 0.982 26649 4868 1 13 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.661 -0.007 26649 4869 1 13 . 1 1 5 5 ASP C C 5 175.760 175.760 176.857 -1.097 26649 4870 1 13 . 1 1 5 5 ASP CA C 5 57.262 57.262 53.804 3.458 26649 4871 1 13 . 1 1 5 5 ASP CB C 5 45.605 45.605 40.861 4.744 26649 4872 1 13 . 1 1 5 5 ASP H H 5 8.235 8.235 8.546 -0.311 26649 4873 1 13 . 1 1 6 6 SER N N 6 114.678 114.678 116.372 -1.694 26649 4874 1 13 . 1 1 6 6 SER HA H 6 4.783 4.783 4.422 0.361 26649 4875 1 13 . 1 1 6 6 SER C C 6 173.417 173.417 174.002 -0.585 26649 4876 1 13 . 1 1 6 6 SER CA C 6 62.802 62.802 58.827 3.975 26649 4877 1 13 . 1 1 6 6 SER CB C 6 69.115 69.115 64.235 4.880 26649 4878 1 13 . 1 1 6 6 SER H H 6 8.018 8.018 8.158 -0.140 26649 4879 1 13 . 1 1 7 7 PHE N N 7 119.686 119.686 120.245 -0.559 26649 4880 1 13 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.704 0.157 26649 4881 1 13 . 1 1 7 7 PHE C C 7 173.245 173.245 173.475 -0.230 26649 4882 1 13 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.985 0.437 26649 4883 1 13 . 1 1 7 7 PHE CB C 7 44.730 44.730 43.232 1.498 26649 4884 1 13 . 1 1 7 7 PHE H H 7 8.612 8.612 8.200 0.412 26649 4885 1 13 . 1 1 8 8 GLU N N 8 119.627 119.627 128.394 -8.767 26649 4886 1 13 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.761 0.634 26649 4887 1 13 . 1 1 8 8 GLU C C 8 176.059 176.059 174.761 1.298 26649 4888 1 13 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.175 1.177 26649 4889 1 13 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.644 5.765 26649 4890 1 13 . 1 1 8 8 GLU H H 8 8.362 8.362 7.858 0.504 26649 4891 1 13 . 1 1 9 9 MET N N 9 121.547 121.547 125.544 -3.997 26649 4892 1 13 . 1 1 9 9 MET HA H 9 4.796 4.796 4.701 0.095 26649 4893 1 13 . 1 1 9 9 MET C C 9 174.247 174.247 173.909 0.338 26649 4894 1 13 . 1 1 9 9 MET CA C 9 57.733 57.733 54.477 3.256 26649 4895 1 13 . 1 1 9 9 MET CB C 9 42.776 42.776 36.940 5.836 26649 4896 1 13 . 1 1 9 9 MET H H 9 8.895 8.895 8.530 0.365 26649 4897 1 13 . 1 1 10 10 GLU N N 10 122.112 122.112 124.332 -2.220 26649 4898 1 13 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.100 -0.112 26649 4899 1 13 . 1 1 10 10 GLU C C 10 176.016 176.016 176.608 -0.592 26649 4900 1 13 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.185 0.500 26649 4901 1 13 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.826 4.965 26649 4902 1 13 . 1 1 10 10 GLU H H 10 8.820 8.820 8.675 0.145 26649 4903 1 13 . 1 1 11 11 GLY N N 11 106.766 106.766 109.873 -3.107 26649 4904 1 13 . 1 1 11 11 GLY C C 11 171.420 171.420 172.568 -1.148 26649 4905 1 13 . 1 1 11 11 GLY CA C 11 48.108 48.108 44.923 3.185 26649 4906 1 13 . 1 1 11 11 GLY H H 11 8.771 8.771 8.923 -0.152 26649 4907 1 13 . 1 1 12 12 THR N N 12 116.018 116.018 115.131 0.887 26649 4908 1 13 . 1 1 12 12 THR HA H 12 5.118 5.118 5.147 -0.029 26649 4909 1 13 . 1 1 12 12 THR C C 12 174.240 174.240 173.599 0.641 26649 4910 1 13 . 1 1 12 12 THR CA C 12 64.101 64.101 60.610 3.491 26649 4911 1 13 . 1 1 12 12 THR CB C 12 74.309 74.309 71.615 2.694 26649 4912 1 13 . 1 1 12 12 THR H H 12 8.434 8.434 8.011 0.423 26649 4913 1 13 . 1 1 13 13 VAL N N 13 127.555 127.555 125.444 2.111 26649 4914 1 13 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.493 -0.474 26649 4915 1 13 . 1 1 13 13 VAL C C 13 176.464 176.464 174.370 2.094 26649 4916 1 13 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.798 5.869 26649 4917 1 13 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.289 3.712 26649 4918 1 13 . 1 1 13 13 VAL H H 13 9.177 9.177 8.280 0.897 26649 4919 1 13 . 1 1 14 14 VAL N N 14 124.300 124.300 125.398 -1.098 26649 4920 1 13 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.292 0.367 26649 4921 1 13 . 1 1 14 14 VAL C C 14 175.424 175.424 174.252 1.172 26649 4922 1 13 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.559 2.458 26649 4923 1 13 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.199 5.570 26649 4924 1 13 . 1 1 14 14 VAL H H 14 9.240 9.240 8.090 1.150 26649 4925 1 13 . 1 1 15 15 ASP N N 15 117.873 117.873 122.303 -4.430 26649 4926 1 13 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.733 0.267 26649 4927 1 13 . 1 1 15 15 ASP C C 15 175.239 175.239 174.785 0.454 26649 4928 1 13 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.254 2.231 26649 4929 1 13 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.664 2.534 26649 4930 1 13 . 1 1 15 15 ASP H H 15 7.912 7.912 8.197 -0.285 26649 4931 1 13 . 1 1 16 16 THR N N 16 115.850 115.850 114.725 1.125 26649 4932 1 13 . 1 1 16 16 THR HA H 16 4.415 4.415 4.716 -0.301 26649 4933 1 13 . 1 1 16 16 THR C C 16 172.752 172.752 173.716 -0.964 26649 4934 1 13 . 1 1 16 16 THR CA C 16 64.002 64.002 61.128 2.874 26649 4935 1 13 . 1 1 16 16 THR CB C 16 73.042 73.042 69.900 3.142 26649 4936 1 13 . 1 1 16 16 THR H H 16 8.666 8.666 8.373 0.293 26649 4937 1 13 . 1 1 17 17 LEU N N 17 124.937 124.937 125.806 -0.869 26649 4938 1 13 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.855 -0.158 26649 4939 1 13 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.811 1.443 26649 4940 1 13 . 1 1 17 17 LEU CB C 17 43.502 43.502 42.455 1.047 26649 4941 1 13 . 1 1 17 17 LEU H H 17 7.894 7.894 8.202 -0.308 26649 4942 1 13 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.602 -0.230 26649 4943 1 13 . 1 1 18 18 PRO C C 18 175.846 175.846 176.366 -0.520 26649 4944 1 13 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.215 3.013 26649 4945 1 13 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.660 4.293 26649 4946 1 13 . 1 1 19 19 ASN N N 19 114.919 114.919 117.605 -2.686 26649 4947 1 13 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.395 -0.050 26649 4948 1 13 . 1 1 19 19 ASN C C 19 175.137 175.137 173.998 1.139 26649 4949 1 13 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.642 3.139 26649 4950 1 13 . 1 1 19 19 ASN CB C 19 41.332 41.332 38.388 2.944 26649 4951 1 13 . 1 1 19 19 ASN H H 19 8.714 8.714 8.756 -0.042 26649 4952 1 13 . 1 1 20 20 THR N N 20 110.616 110.616 110.560 0.056 26649 4953 1 13 . 1 1 20 20 THR HA H 20 3.881 3.881 3.926 -0.045 26649 4954 1 13 . 1 1 20 20 THR C C 20 172.384 172.384 172.862 -0.478 26649 4955 1 13 . 1 1 20 20 THR CA C 20 65.985 65.985 63.508 2.477 26649 4956 1 13 . 1 1 20 20 THR CB C 20 70.012 70.012 67.690 2.322 26649 4957 1 13 . 1 1 20 20 THR H H 20 8.579 8.579 8.232 0.347 26649 4958 1 13 . 1 1 21 21 MET N N 21 115.910 115.910 115.371 0.539 26649 4959 1 13 . 1 1 21 21 MET HA H 21 5.074 5.074 4.660 0.414 26649 4960 1 13 . 1 1 21 21 MET C C 21 175.080 175.080 173.358 1.722 26649 4961 1 13 . 1 1 21 21 MET CA C 21 54.347 54.347 54.075 0.272 26649 4962 1 13 . 1 1 21 21 MET CB C 21 38.359 38.359 36.116 2.243 26649 4963 1 13 . 1 1 21 21 MET H H 21 6.314 6.314 7.229 -0.915 26649 4964 1 13 . 1 1 22 22 PHE N N 22 115.989 115.989 117.620 -1.631 26649 4965 1 13 . 1 1 22 22 PHE HA H 22 4.997 4.997 4.992 0.005 26649 4966 1 13 . 1 1 22 22 PHE C C 22 174.953 174.953 173.844 1.109 26649 4967 1 13 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.033 2.458 26649 4968 1 13 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.886 4.330 26649 4969 1 13 . 1 1 22 22 PHE H H 22 8.744 8.744 9.254 -0.510 26649 4970 1 13 . 1 1 23 23 ARG N N 23 122.523 122.523 121.452 1.071 26649 4971 1 13 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.086 0.150 26649 4972 1 13 . 1 1 23 23 ARG C C 23 175.828 175.828 174.590 1.238 26649 4973 1 13 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.877 1.192 26649 4974 1 13 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.522 2.316 26649 4975 1 13 . 1 1 23 23 ARG H H 23 8.661 8.661 8.610 0.051 26649 4976 1 13 . 1 1 24 24 VAL N N 24 126.448 126.448 120.922 5.526 26649 4977 1 13 . 1 1 24 24 VAL HA H 24 4.684 4.684 5.134 -0.450 26649 4978 1 13 . 1 1 24 24 VAL C C 24 173.637 173.637 175.128 -1.491 26649 4979 1 13 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.691 3.080 26649 4980 1 13 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.251 5.278 26649 4981 1 13 . 1 1 24 24 VAL H H 24 9.342 9.342 8.811 0.531 26649 4982 1 13 . 1 1 25 25 GLU N N 25 128.611 128.611 122.822 5.789 26649 4983 1 13 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.763 -0.050 26649 4984 1 13 . 1 1 25 25 GLU C C 25 176.160 176.160 175.861 0.299 26649 4985 1 13 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.538 0.843 26649 4986 1 13 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.095 4.076 26649 4987 1 13 . 1 1 25 25 GLU H H 25 9.125 9.125 9.147 -0.022 26649 4988 1 13 . 1 1 26 26 LEU N N 26 129.185 129.185 125.328 3.857 26649 4989 1 13 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.701 0.128 26649 4990 1 13 . 1 1 26 26 LEU C C 26 179.291 179.291 177.343 1.948 26649 4991 1 13 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.041 3.097 26649 4992 1 13 . 1 1 26 26 LEU CB C 26 47.294 47.294 41.830 5.464 26649 4993 1 13 . 1 1 26 26 LEU H H 26 9.305 9.305 8.746 0.559 26649 4994 1 13 . 1 1 27 27 GLU N N 27 119.943 119.943 120.869 -0.926 26649 4995 1 13 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.995 0.143 26649 4996 1 13 . 1 1 27 27 GLU C C 27 175.981 175.981 176.996 -1.015 26649 4997 1 13 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.730 1.615 26649 4998 1 13 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.324 5.698 26649 4999 1 13 . 1 1 27 27 GLU H H 27 8.624 8.624 8.685 -0.061 26649 5000 1 13 . 1 1 28 28 ASN N N 28 114.077 114.077 117.167 -3.090 26649 5001 1 13 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.621 0.015 26649 5002 1 13 . 1 1 28 28 ASN C C 28 176.489 176.489 175.451 1.038 26649 5003 1 13 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.478 1.831 26649 5004 1 13 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.673 4.514 26649 5005 1 13 . 1 1 28 28 ASN H H 28 7.268 7.268 8.150 -0.882 26649 5006 1 13 . 1 1 29 29 GLY N N 29 108.202 108.202 104.639 3.563 26649 5007 1 13 . 1 1 29 29 GLY C C 29 174.446 174.446 174.009 0.437 26649 5008 1 13 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.977 2.345 26649 5009 1 13 . 1 1 29 29 GLY H H 29 8.367 8.367 7.928 0.439 26649 5010 1 13 . 1 1 30 30 HIS N N 30 119.105 119.105 119.959 -0.854 26649 5011 1 13 . 1 1 30 30 HIS HA H 30 4.715 4.715 4.975 -0.260 26649 5012 1 13 . 1 1 30 30 HIS C C 30 173.468 173.468 173.447 0.021 26649 5013 1 13 . 1 1 30 30 HIS CA C 30 58.053 58.053 55.143 2.910 26649 5014 1 13 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.445 0.264 26649 5015 1 13 . 1 1 30 30 HIS H H 30 7.954 7.954 8.772 -0.818 26649 5016 1 13 . 1 1 31 31 VAL N N 31 124.046 124.046 122.215 1.831 26649 5017 1 13 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.472 0.579 26649 5018 1 13 . 1 1 31 31 VAL C C 31 176.209 176.209 173.979 2.230 26649 5019 1 13 . 1 1 31 31 VAL CA C 31 62.570 62.570 61.303 1.268 26649 5020 1 13 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.455 0.599 26649 5021 1 13 . 1 1 31 31 VAL H H 31 8.601 8.601 8.461 0.140 26649 5022 1 13 . 1 1 32 32 VAL N N 32 120.179 120.179 123.693 -3.514 26649 5023 1 13 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.573 0.213 26649 5024 1 13 . 1 1 32 32 VAL C C 32 175.124 175.124 174.420 0.704 26649 5025 1 13 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.132 -0.269 26649 5026 1 13 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.138 3.691 26649 5027 1 13 . 1 1 32 32 VAL H H 32 8.966 8.966 8.984 -0.018 26649 5028 1 13 . 1 1 33 33 THR N N 33 118.645 118.645 117.607 1.038 26649 5029 1 13 . 1 1 33 33 THR HA H 33 5.061 5.061 4.871 0.190 26649 5030 1 13 . 1 1 33 33 THR C C 33 174.171 174.171 172.711 1.460 26649 5031 1 13 . 1 1 33 33 THR CA C 33 65.278 65.278 61.884 3.394 26649 5032 1 13 . 1 1 33 33 THR CB C 33 72.059 72.059 70.006 2.053 26649 5033 1 13 . 1 1 33 33 THR H H 33 8.235 8.235 8.150 0.085 26649 5034 1 13 . 1 1 34 34 ALA N N 34 129.128 129.128 128.229 0.899 26649 5035 1 13 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.507 0.065 26649 5036 1 13 . 1 1 34 34 ALA C C 34 175.686 175.686 174.764 0.922 26649 5037 1 13 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.767 3.289 26649 5038 1 13 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.606 2.428 26649 5039 1 13 . 1 1 34 34 ALA H H 34 9.777 9.777 9.269 0.508 26649 5040 1 13 . 1 1 35 35 HIS N N 35 116.059 116.059 115.084 0.975 26649 5041 1 13 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.073 0.438 26649 5042 1 13 . 1 1 35 35 HIS C C 35 174.302 174.302 173.795 0.507 26649 5043 1 13 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.532 2.519 26649 5044 1 13 . 1 1 35 35 HIS CB C 35 36.686 36.686 34.038 2.648 26649 5045 1 13 . 1 1 35 35 HIS H H 35 7.712 7.712 8.674 -0.962 26649 5046 1 13 . 1 1 36 36 ILE N N 36 119.551 119.551 121.289 -1.738 26649 5047 1 13 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.238 0.271 26649 5048 1 13 . 1 1 36 36 ILE C C 36 175.686 175.686 175.671 0.015 26649 5049 1 13 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.773 1.898 26649 5050 1 13 . 1 1 36 36 ILE CB C 36 41.175 41.175 38.593 2.582 26649 5051 1 13 . 1 1 36 36 ILE H H 36 9.509 9.509 8.749 0.760 26649 5052 1 13 . 1 1 37 37 SER N N 37 120.084 120.084 124.502 -4.418 26649 5053 1 13 . 1 1 37 37 SER HA H 37 4.543 4.543 4.529 0.014 26649 5054 1 13 . 1 1 37 37 SER C C 37 175.073 175.073 176.370 -1.297 26649 5055 1 13 . 1 1 37 37 SER CA C 37 61.428 61.428 59.072 2.356 26649 5056 1 13 . 1 1 37 37 SER CB C 37 69.228 69.228 64.177 5.051 26649 5057 1 13 . 1 1 37 37 SER H H 37 8.427 8.427 8.460 -0.033 26649 5058 1 13 . 1 1 38 38 GLY N N 38 112.268 112.268 108.433 3.835 26649 5059 1 13 . 1 1 38 38 GLY C C 38 176.124 176.124 175.560 0.564 26649 5060 1 13 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.260 3.034 26649 5061 1 13 . 1 1 38 38 GLY H H 38 9.059 9.059 8.842 0.217 26649 5062 1 13 . 1 1 39 39 LYS N N 39 121.027 121.027 120.289 0.738 26649 5063 1 13 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.929 0.182 26649 5064 1 13 . 1 1 39 39 LYS C C 39 178.155 178.155 178.512 -0.357 26649 5065 1 13 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.311 2.242 26649 5066 1 13 . 1 1 39 39 LYS CB C 39 37.222 37.222 31.883 5.339 26649 5067 1 13 . 1 1 39 39 LYS H H 39 8.346 8.346 8.213 0.133 26649 5068 1 13 . 1 1 40 40 MET N N 40 118.288 118.288 115.916 2.372 26649 5069 1 13 . 1 1 40 40 MET HA H 40 4.281 4.281 4.281 0.000 26649 5070 1 13 . 1 1 40 40 MET C C 40 177.179 177.179 177.539 -0.360 26649 5071 1 13 . 1 1 40 40 MET CA C 40 58.000 58.000 57.981 0.019 26649 5072 1 13 . 1 1 40 40 MET CB C 40 36.025 36.025 32.199 3.826 26649 5073 1 13 . 1 1 40 40 MET H H 40 7.741 7.741 7.507 0.234 26649 5074 1 13 . 1 1 41 41 ARG N N 41 119.988 119.988 119.306 0.682 26649 5075 1 13 . 1 1 41 41 ARG HA H 41 4.061 4.061 3.975 0.086 26649 5076 1 13 . 1 1 41 41 ARG C C 41 177.749 177.749 179.213 -1.464 26649 5077 1 13 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.803 0.733 26649 5078 1 13 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.221 1.875 26649 5079 1 13 . 1 1 41 41 ARG H H 41 7.948 7.948 7.825 0.123 26649 5080 1 13 . 1 1 42 42 LYS N N 42 119.136 119.136 119.877 -0.741 26649 5081 1 13 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.133 -0.055 26649 5082 1 13 . 1 1 42 42 LYS C C 42 176.430 176.430 178.099 -1.669 26649 5083 1 13 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.751 -0.232 26649 5084 1 13 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.359 4.730 26649 5085 1 13 . 1 1 42 42 LYS H H 42 7.895 7.895 7.768 0.127 26649 5086 1 13 . 1 1 43 43 ASN N N 43 116.823 116.823 116.320 0.503 26649 5087 1 13 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.878 -0.212 26649 5088 1 13 . 1 1 43 43 ASN C C 43 174.310 174.310 173.803 0.507 26649 5089 1 13 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.059 1.883 26649 5090 1 13 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.831 4.540 26649 5091 1 13 . 1 1 43 43 ASN H H 43 7.840 7.840 7.589 0.251 26649 5092 1 13 . 1 1 44 44 TYR N N 44 118.475 118.475 117.245 1.230 26649 5093 1 13 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.159 0.199 26649 5094 1 13 . 1 1 44 44 TYR C C 44 175.072 175.072 174.505 0.567 26649 5095 1 13 . 1 1 44 44 TYR CA C 44 59.757 59.757 58.439 1.318 26649 5096 1 13 . 1 1 44 44 TYR CB C 44 42.222 42.222 38.278 3.944 26649 5097 1 13 . 1 1 44 44 TYR H H 44 7.701 7.701 7.577 0.124 26649 5098 1 13 . 1 1 45 45 ILE N N 45 123.061 123.061 126.248 -3.187 26649 5099 1 13 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.944 -0.032 26649 5100 1 13 . 1 1 45 45 ILE C C 45 174.790 174.790 174.826 -0.036 26649 5101 1 13 . 1 1 45 45 ILE CA C 45 62.935 62.935 62.639 0.296 26649 5102 1 13 . 1 1 45 45 ILE CB C 45 40.718 40.718 37.567 3.151 26649 5103 1 13 . 1 1 45 45 ILE H H 45 7.538 7.538 8.201 -0.663 26649 5104 1 13 . 1 1 46 46 ARG N N 46 125.163 125.163 127.229 -2.066 26649 5105 1 13 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.512 -0.324 26649 5106 1 13 . 1 1 46 46 ARG C C 46 174.870 174.870 174.246 0.624 26649 5107 1 13 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.142 2.347 26649 5108 1 13 . 1 1 46 46 ARG CB C 46 35.647 35.647 32.780 2.867 26649 5109 1 13 . 1 1 46 46 ARG H H 46 8.105 8.105 8.166 -0.061 26649 5110 1 13 . 1 1 47 47 ILE N N 47 126.439 126.439 122.036 4.403 26649 5111 1 13 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.265 -0.291 26649 5112 1 13 . 1 1 47 47 ILE C C 47 173.723 173.723 175.258 -1.535 26649 5113 1 13 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.261 1.951 26649 5114 1 13 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.132 3.161 26649 5115 1 13 . 1 1 47 47 ILE H H 47 8.072 8.072 8.272 -0.200 26649 5116 1 13 . 1 1 48 48 LEU N N 48 127.845 127.845 128.651 -0.806 26649 5117 1 13 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.585 0.136 26649 5118 1 13 . 1 1 48 48 LEU C C 48 177.100 177.100 175.667 1.433 26649 5119 1 13 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.472 1.170 26649 5120 1 13 . 1 1 48 48 LEU CB C 48 48.008 48.008 44.061 3.947 26649 5121 1 13 . 1 1 48 48 LEU H H 48 8.662 8.662 8.369 0.293 26649 5122 1 13 . 1 1 49 49 THR N N 49 115.775 115.775 120.305 -4.530 26649 5123 1 13 . 1 1 49 49 THR HA H 49 3.611 3.611 4.249 -0.638 26649 5124 1 13 . 1 1 49 49 THR C C 49 175.507 175.507 175.003 0.504 26649 5125 1 13 . 1 1 49 49 THR CA C 49 67.651 67.651 63.497 4.154 26649 5126 1 13 . 1 1 49 49 THR CB C 49 71.174 71.174 68.890 2.284 26649 5127 1 13 . 1 1 49 49 THR H H 49 8.281 8.281 8.315 -0.034 26649 5128 1 13 . 1 1 50 50 GLY N N 50 116.246 116.246 116.147 0.099 26649 5129 1 13 . 1 1 50 50 GLY C C 50 174.433 174.433 172.721 1.712 26649 5130 1 13 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.988 1.891 26649 5131 1 13 . 1 1 50 50 GLY H H 50 9.211 9.211 8.943 0.268 26649 5132 1 13 . 1 1 51 51 ASP N N 51 121.695 121.695 120.798 0.897 26649 5133 1 13 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.649 -0.074 26649 5134 1 13 . 1 1 51 51 ASP C C 51 175.571 175.571 175.517 0.054 26649 5135 1 13 . 1 1 51 51 ASP CA C 51 58.451 58.451 52.714 5.737 26649 5136 1 13 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.375 2.094 26649 5137 1 13 . 1 1 51 51 ASP H H 51 8.114 8.114 8.002 0.112 26649 5138 1 13 . 1 1 52 52 LYS N N 52 121.380 121.380 125.235 -3.855 26649 5139 1 13 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.551 0.543 26649 5140 1 13 . 1 1 52 52 LYS C C 52 176.630 176.630 176.397 0.233 26649 5141 1 13 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.827 0.265 26649 5142 1 13 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.390 4.517 26649 5143 1 13 . 1 1 52 52 LYS H H 52 8.504 8.504 7.943 0.561 26649 5144 1 13 . 1 1 53 53 VAL N N 53 115.067 115.067 118.731 -3.664 26649 5145 1 13 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.233 -0.050 26649 5146 1 13 . 1 1 53 53 VAL C C 53 174.865 174.865 174.445 0.420 26649 5147 1 13 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.277 0.765 26649 5148 1 13 . 1 1 53 53 VAL CB C 53 38.523 38.523 36.104 2.419 26649 5149 1 13 . 1 1 53 53 VAL H H 53 8.730 8.730 9.072 -0.342 26649 5150 1 13 . 1 1 54 54 ARG N N 54 118.772 118.772 122.037 -3.265 26649 5151 1 13 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.582 0.312 26649 5152 1 13 . 1 1 54 54 ARG C C 54 175.140 175.140 175.076 0.064 26649 5153 1 13 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.365 1.271 26649 5154 1 13 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.551 5.992 26649 5155 1 13 . 1 1 54 54 ARG H H 54 8.208 8.208 8.778 -0.570 26649 5156 1 13 . 1 1 55 55 VAL N N 55 121.560 121.560 127.164 -5.604 26649 5157 1 13 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.094 -0.352 26649 5158 1 13 . 1 1 55 55 VAL C C 55 173.816 173.816 174.956 -1.140 26649 5159 1 13 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.921 -0.118 26649 5160 1 13 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.512 3.209 26649 5161 1 13 . 1 1 55 55 VAL H H 55 8.961 8.961 8.713 0.248 26649 5162 1 13 . 1 1 56 56 GLU N N 56 126.127 126.127 126.802 -0.675 26649 5163 1 13 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.163 -0.260 26649 5164 1 13 . 1 1 56 56 GLU C C 56 176.010 176.010 175.774 0.236 26649 5165 1 13 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.054 1.713 26649 5166 1 13 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.036 4.194 26649 5167 1 13 . 1 1 56 56 GLU H H 56 9.296 9.296 8.280 1.016 26649 5168 1 13 . 1 1 57 57 LEU N N 57 129.725 129.725 127.493 2.232 26649 5169 1 13 . 1 1 57 57 LEU HA H 57 4.731 4.731 5.041 -0.310 26649 5170 1 13 . 1 1 57 57 LEU C C 57 175.520 175.520 176.982 -1.462 26649 5171 1 13 . 1 1 57 57 LEU CA C 57 56.187 56.187 54.216 1.971 26649 5172 1 13 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.643 2.397 26649 5173 1 13 . 1 1 57 57 LEU H H 57 9.057 9.057 8.848 0.209 26649 5174 1 13 . 1 1 58 58 THR N N 58 114.373 114.373 111.879 2.494 26649 5175 1 13 . 1 1 58 58 THR HA H 58 4.684 4.684 4.960 -0.276 26649 5176 1 13 . 1 1 58 58 THR CA C 58 59.837 59.837 58.852 0.985 26649 5177 1 13 . 1 1 58 58 THR CB C 58 71.774 71.774 69.978 1.796 26649 5178 1 13 . 1 1 58 58 THR H H 58 8.645 8.645 8.053 0.592 26649 5179 1 13 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.327 -0.211 26649 5180 1 13 . 1 1 59 59 PRO C C 59 176.717 176.717 177.144 -0.427 26649 5181 1 13 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.621 2.708 26649 5182 1 13 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.562 4.834 26649 5183 1 13 . 1 1 60 60 TYR N N 60 113.100 113.100 117.190 -4.090 26649 5184 1 13 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.436 -0.003 26649 5185 1 13 . 1 1 60 60 TYR C C 60 175.684 175.684 175.491 0.193 26649 5186 1 13 . 1 1 60 60 TYR CA C 60 59.054 59.054 59.770 -0.716 26649 5187 1 13 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.940 3.405 26649 5188 1 13 . 1 1 60 60 TYR H H 60 7.057 7.057 8.022 -0.965 26649 5189 1 13 . 1 1 61 61 ASP N N 61 118.239 118.239 117.313 0.926 26649 5190 1 13 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.786 -0.079 26649 5191 1 13 . 1 1 61 61 ASP C C 61 175.155 175.155 175.527 -0.372 26649 5192 1 13 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.493 2.743 26649 5193 1 13 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.817 4.301 26649 5194 1 13 . 1 1 61 61 ASP H H 61 7.349 7.349 7.821 -0.472 26649 5195 1 13 . 1 1 62 62 LEU N N 62 124.571 124.571 122.023 2.548 26649 5196 1 13 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.149 0.251 26649 5197 1 13 . 1 1 62 62 LEU C C 62 176.534 176.534 178.526 -1.992 26649 5198 1 13 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.253 -0.189 26649 5199 1 13 . 1 1 62 62 LEU CB C 62 45.466 45.466 42.188 3.278 26649 5200 1 13 . 1 1 62 62 LEU H H 62 8.713 8.713 8.537 0.176 26649 5201 1 13 . 1 1 63 63 SER N N 63 113.199 113.199 112.554 0.645 26649 5202 1 13 . 1 1 63 63 SER HA H 63 4.672 4.672 4.164 0.508 26649 5203 1 13 . 1 1 63 63 SER C C 63 174.199 174.199 174.153 0.046 26649 5204 1 13 . 1 1 63 63 SER CA C 63 60.593 60.593 59.907 0.686 26649 5205 1 13 . 1 1 63 63 SER CB C 63 69.233 69.233 62.729 6.504 26649 5206 1 13 . 1 1 63 63 SER H H 63 8.515 8.515 8.397 0.118 26649 5207 1 13 . 1 1 64 64 LYS N N 64 122.388 122.388 118.994 3.394 26649 5208 1 13 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.261 0.202 26649 5209 1 13 . 1 1 64 64 LYS C C 64 174.870 174.870 175.146 -0.276 26649 5210 1 13 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.262 0.326 26649 5211 1 13 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.844 4.315 26649 5212 1 13 . 1 1 64 64 LYS H H 64 7.646 7.646 7.666 -0.020 26649 5213 1 13 . 1 1 65 65 GLY N N 65 103.185 103.185 108.850 -5.665 26649 5214 1 13 . 1 1 65 65 GLY C C 65 171.434 171.434 172.026 -0.592 26649 5215 1 13 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.416 2.869 26649 5216 1 13 . 1 1 65 65 GLY H H 65 7.803 7.803 8.941 -1.138 26649 5217 1 13 . 1 1 66 66 ARG N N 66 118.652 118.652 117.262 1.390 26649 5218 1 13 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.887 0.079 26649 5219 1 13 . 1 1 66 66 ARG C C 66 175.315 175.315 174.493 0.822 26649 5220 1 13 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.550 0.385 26649 5221 1 13 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.642 3.378 26649 5222 1 13 . 1 1 66 66 ARG H H 66 8.468 8.468 8.069 0.399 26649 5223 1 13 . 1 1 67 67 ILE N N 67 125.685 125.685 121.373 4.312 26649 5224 1 13 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.941 -0.418 26649 5225 1 13 . 1 1 67 67 ILE C C 67 175.888 175.888 175.531 0.357 26649 5226 1 13 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.677 4.301 26649 5227 1 13 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.679 2.994 26649 5228 1 13 . 1 1 67 67 ILE H H 67 9.078 9.078 8.204 0.874 26649 5229 1 13 . 1 1 68 68 THR N N 68 117.575 117.575 120.171 -2.596 26649 5230 1 13 . 1 1 68 68 THR HA H 68 4.485 4.485 4.511 -0.026 26649 5231 1 13 . 1 1 68 68 THR C C 68 174.989 174.989 173.041 1.948 26649 5232 1 13 . 1 1 68 68 THR CA C 68 64.174 64.174 61.559 2.615 26649 5233 1 13 . 1 1 68 68 THR CB C 68 72.920 72.920 69.950 2.970 26649 5234 1 13 . 1 1 68 68 THR H H 68 8.649 8.649 8.410 0.239 26649 5235 1 13 . 1 1 69 69 TYR N N 69 122.143 122.143 122.518 -0.375 26649 5236 1 13 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.350 0.241 26649 5237 1 13 . 1 1 69 69 TYR C C 69 172.880 172.880 173.051 -0.171 26649 5238 1 13 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.232 4.572 26649 5239 1 13 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.646 5.764 26649 5240 1 13 . 1 1 69 69 TYR H H 69 7.538 7.538 8.188 -0.650 26649 5241 1 13 . 1 1 70 70 ARG N N 70 126.202 126.202 123.386 2.816 26649 5242 1 13 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.048 -0.432 26649 5243 1 13 . 1 1 70 70 ARG C C 70 173.644 173.644 173.130 0.514 26649 5244 1 13 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.413 3.458 26649 5245 1 13 . 1 1 70 70 ARG CB C 70 36.386 36.386 34.043 2.343 26649 5246 1 13 . 1 1 70 70 ARG H H 70 7.716 7.716 7.701 0.015 26649 5247 1 13 . 1 1 71 71 ALA N N 71 128.442 128.442 122.920 5.522 26649 5248 1 13 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.616 -0.520 26649 5249 1 13 . 1 1 71 71 ALA C C 71 176.753 176.753 175.732 1.021 26649 5250 1 13 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.454 4.812 26649 5251 1 13 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.295 -1.084 26649 5252 1 13 . 1 1 71 71 ALA H H 71 8.456 8.456 8.721 -0.265 26649 5253 1 14 . 1 1 2 2 SER N N 2 116.344 116.344 118.249 -1.905 26649 5254 1 14 . 1 1 2 2 SER HA H 2 4.543 4.543 4.792 -0.249 26649 5255 1 14 . 1 1 2 2 SER C C 2 174.500 174.500 172.518 1.982 26649 5256 1 14 . 1 1 2 2 SER CA C 2 61.592 61.592 58.493 3.099 26649 5257 1 14 . 1 1 2 2 SER CB C 2 68.657 68.657 64.472 4.185 26649 5258 1 14 . 1 1 2 2 SER H H 2 8.756 8.756 8.244 0.512 26649 5259 1 14 . 1 1 3 3 LYS N N 3 123.531 123.531 123.811 -0.280 26649 5260 1 14 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.606 -0.281 26649 5261 1 14 . 1 1 3 3 LYS C C 3 176.570 176.570 176.146 0.424 26649 5262 1 14 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.243 3.575 26649 5263 1 14 . 1 1 3 3 LYS CB C 3 37.493 37.493 33.250 4.243 26649 5264 1 14 . 1 1 3 3 LYS H H 3 8.582 8.582 8.265 0.317 26649 5265 1 14 . 1 1 4 4 GLU N N 4 121.085 121.085 122.027 -0.942 26649 5266 1 14 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.250 0.092 26649 5267 1 14 . 1 1 4 4 GLU C C 4 176.071 176.071 176.568 -0.497 26649 5268 1 14 . 1 1 4 4 GLU CA C 4 59.923 59.923 58.044 1.879 26649 5269 1 14 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.037 4.383 26649 5270 1 14 . 1 1 4 4 GLU H H 4 8.488 8.488 8.768 -0.280 26649 5271 1 14 . 1 1 5 5 ASP N N 5 120.965 120.965 116.220 4.745 26649 5272 1 14 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.719 -0.065 26649 5273 1 14 . 1 1 5 5 ASP C C 5 175.760 175.760 175.533 0.227 26649 5274 1 14 . 1 1 5 5 ASP CA C 5 57.262 57.262 53.959 3.303 26649 5275 1 14 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.789 3.816 26649 5276 1 14 . 1 1 5 5 ASP H H 5 8.235 8.235 8.617 -0.382 26649 5277 1 14 . 1 1 6 6 SER N N 6 114.678 114.678 117.810 -3.132 26649 5278 1 14 . 1 1 6 6 SER HA H 6 4.783 4.783 4.421 0.362 26649 5279 1 14 . 1 1 6 6 SER C C 6 173.417 173.417 173.936 -0.519 26649 5280 1 14 . 1 1 6 6 SER CA C 6 62.802 62.802 59.944 2.858 26649 5281 1 14 . 1 1 6 6 SER CB C 6 69.115 69.115 62.471 6.644 26649 5282 1 14 . 1 1 6 6 SER H H 6 8.018 8.018 8.335 -0.317 26649 5283 1 14 . 1 1 7 7 PHE N N 7 119.686 119.686 122.529 -2.843 26649 5284 1 14 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.521 0.340 26649 5285 1 14 . 1 1 7 7 PHE C C 7 173.245 173.245 173.835 -0.590 26649 5286 1 14 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.759 0.663 26649 5287 1 14 . 1 1 7 7 PHE CB C 7 44.730 44.730 41.909 2.821 26649 5288 1 14 . 1 1 7 7 PHE H H 7 8.612 8.612 7.767 0.845 26649 5289 1 14 . 1 1 8 8 GLU N N 8 119.627 119.627 121.238 -1.611 26649 5290 1 14 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.849 0.546 26649 5291 1 14 . 1 1 8 8 GLU C C 8 176.059 176.059 175.401 0.658 26649 5292 1 14 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.687 0.665 26649 5293 1 14 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.385 6.024 26649 5294 1 14 . 1 1 8 8 GLU H H 8 8.362 8.362 8.882 -0.520 26649 5295 1 14 . 1 1 9 9 MET N N 9 121.547 121.547 121.060 0.487 26649 5296 1 14 . 1 1 9 9 MET HA H 9 4.796 4.796 4.719 0.077 26649 5297 1 14 . 1 1 9 9 MET C C 9 174.247 174.247 173.823 0.424 26649 5298 1 14 . 1 1 9 9 MET CA C 9 57.733 57.733 54.990 2.743 26649 5299 1 14 . 1 1 9 9 MET CB C 9 42.776 42.776 37.361 5.415 26649 5300 1 14 . 1 1 9 9 MET H H 9 8.895 8.895 8.923 -0.028 26649 5301 1 14 . 1 1 10 10 GLU N N 10 122.112 122.112 123.914 -1.802 26649 5302 1 14 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.256 -0.268 26649 5303 1 14 . 1 1 10 10 GLU C C 10 176.016 176.016 176.663 -0.647 26649 5304 1 14 . 1 1 10 10 GLU CA C 10 56.685 56.685 55.772 0.913 26649 5305 1 14 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.859 4.933 26649 5306 1 14 . 1 1 10 10 GLU H H 10 8.820 8.820 8.598 0.222 26649 5307 1 14 . 1 1 11 11 GLY N N 11 106.766 106.766 109.572 -2.806 26649 5308 1 14 . 1 1 11 11 GLY C C 11 171.420 171.420 172.546 -1.126 26649 5309 1 14 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.251 2.857 26649 5310 1 14 . 1 1 11 11 GLY H H 11 8.771 8.771 8.895 -0.124 26649 5311 1 14 . 1 1 12 12 THR N N 12 116.018 116.018 115.286 0.732 26649 5312 1 14 . 1 1 12 12 THR HA H 12 5.118 5.118 5.057 0.061 26649 5313 1 14 . 1 1 12 12 THR C C 12 174.240 174.240 173.293 0.947 26649 5314 1 14 . 1 1 12 12 THR CA C 12 64.101 64.101 61.080 3.021 26649 5315 1 14 . 1 1 12 12 THR CB C 12 74.309 74.309 72.200 2.109 26649 5316 1 14 . 1 1 12 12 THR H H 12 8.434 8.434 8.050 0.384 26649 5317 1 14 . 1 1 13 13 VAL N N 13 127.555 127.555 125.467 2.088 26649 5318 1 14 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.419 -0.400 26649 5319 1 14 . 1 1 13 13 VAL C C 13 176.464 176.464 174.500 1.964 26649 5320 1 14 . 1 1 13 13 VAL CA C 13 67.667 67.667 62.034 5.633 26649 5321 1 14 . 1 1 13 13 VAL CB C 13 36.001 36.001 32.052 3.949 26649 5322 1 14 . 1 1 13 13 VAL H H 13 9.177 9.177 8.260 0.917 26649 5323 1 14 . 1 1 14 14 VAL N N 14 124.300 124.300 126.866 -2.566 26649 5324 1 14 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.345 0.314 26649 5325 1 14 . 1 1 14 14 VAL C C 14 175.424 175.424 174.284 1.140 26649 5326 1 14 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.865 2.152 26649 5327 1 14 . 1 1 14 14 VAL CB C 14 37.769 37.769 31.962 5.807 26649 5328 1 14 . 1 1 14 14 VAL H H 14 9.240 9.240 8.090 1.150 26649 5329 1 14 . 1 1 15 15 ASP N N 15 117.873 117.873 123.628 -5.755 26649 5330 1 14 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.698 0.302 26649 5331 1 14 . 1 1 15 15 ASP C C 15 175.239 175.239 174.622 0.617 26649 5332 1 14 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.339 2.146 26649 5333 1 14 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.046 3.152 26649 5334 1 14 . 1 1 15 15 ASP H H 15 7.912 7.912 8.172 -0.260 26649 5335 1 14 . 1 1 16 16 THR N N 16 115.850 115.850 117.617 -1.767 26649 5336 1 14 . 1 1 16 16 THR HA H 16 4.415 4.415 4.839 -0.424 26649 5337 1 14 . 1 1 16 16 THR C C 16 172.752 172.752 173.307 -0.555 26649 5338 1 14 . 1 1 16 16 THR CA C 16 64.002 64.002 61.337 2.665 26649 5339 1 14 . 1 1 16 16 THR CB C 16 73.042 73.042 70.022 3.020 26649 5340 1 14 . 1 1 16 16 THR H H 16 8.666 8.666 8.436 0.230 26649 5341 1 14 . 1 1 17 17 LEU N N 17 124.937 124.937 126.867 -1.930 26649 5342 1 14 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.919 -0.222 26649 5343 1 14 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.370 1.884 26649 5344 1 14 . 1 1 17 17 LEU CB C 17 43.502 43.502 44.161 -0.659 26649 5345 1 14 . 1 1 17 17 LEU H H 17 7.894 7.894 8.376 -0.482 26649 5346 1 14 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.665 -0.293 26649 5347 1 14 . 1 1 18 18 PRO C C 18 175.846 175.846 176.153 -0.307 26649 5348 1 14 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.578 2.649 26649 5349 1 14 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.197 4.756 26649 5350 1 14 . 1 1 19 19 ASN N N 19 114.919 114.919 116.046 -1.127 26649 5351 1 14 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.459 -0.114 26649 5352 1 14 . 1 1 19 19 ASN C C 19 175.137 175.137 174.256 0.881 26649 5353 1 14 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.343 3.438 26649 5354 1 14 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.485 3.847 26649 5355 1 14 . 1 1 19 19 ASN H H 19 8.714 8.714 8.705 0.009 26649 5356 1 14 . 1 1 20 20 THR N N 20 110.616 110.616 107.697 2.919 26649 5357 1 14 . 1 1 20 20 THR HA H 20 3.881 3.881 3.716 0.165 26649 5358 1 14 . 1 1 20 20 THR C C 20 172.384 172.384 172.497 -0.113 26649 5359 1 14 . 1 1 20 20 THR CA C 20 65.985 65.985 63.292 2.692 26649 5360 1 14 . 1 1 20 20 THR CB C 20 70.012 70.012 67.351 2.661 26649 5361 1 14 . 1 1 20 20 THR H H 20 8.579 8.579 8.257 0.322 26649 5362 1 14 . 1 1 21 21 MET N N 21 115.910 115.910 117.264 -1.354 26649 5363 1 14 . 1 1 21 21 MET HA H 21 5.074 5.074 4.410 0.664 26649 5364 1 14 . 1 1 21 21 MET C C 21 175.080 175.080 173.302 1.778 26649 5365 1 14 . 1 1 21 21 MET CA C 21 54.347 54.347 53.569 0.778 26649 5366 1 14 . 1 1 21 21 MET CB C 21 38.359 38.359 37.324 1.035 26649 5367 1 14 . 1 1 21 21 MET H H 21 6.314 6.314 6.982 -0.668 26649 5368 1 14 . 1 1 22 22 PHE N N 22 115.989 115.989 116.600 -0.611 26649 5369 1 14 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.067 -0.070 26649 5370 1 14 . 1 1 22 22 PHE C C 22 174.953 174.953 173.813 1.140 26649 5371 1 14 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.158 2.333 26649 5372 1 14 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.267 4.949 26649 5373 1 14 . 1 1 22 22 PHE H H 22 8.744 8.744 8.767 -0.023 26649 5374 1 14 . 1 1 23 23 ARG N N 23 122.523 122.523 121.216 1.307 26649 5375 1 14 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.072 0.164 26649 5376 1 14 . 1 1 23 23 ARG C C 23 175.828 175.828 174.130 1.698 26649 5377 1 14 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.962 1.107 26649 5378 1 14 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.636 2.202 26649 5379 1 14 . 1 1 23 23 ARG H H 23 8.661 8.661 8.430 0.231 26649 5380 1 14 . 1 1 24 24 VAL N N 24 126.448 126.448 125.010 1.438 26649 5381 1 14 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.924 -0.240 26649 5382 1 14 . 1 1 24 24 VAL C C 24 173.637 173.637 173.831 -0.194 26649 5383 1 14 . 1 1 24 24 VAL CA C 24 62.771 62.771 60.040 2.731 26649 5384 1 14 . 1 1 24 24 VAL CB C 24 39.529 39.529 35.781 3.748 26649 5385 1 14 . 1 1 24 24 VAL H H 24 9.342 9.342 9.025 0.317 26649 5386 1 14 . 1 1 25 25 GLU N N 25 128.611 128.611 128.446 0.165 26649 5387 1 14 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.573 0.140 26649 5388 1 14 . 1 1 25 25 GLU C C 25 176.160 176.160 175.613 0.547 26649 5389 1 14 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.872 0.509 26649 5390 1 14 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.090 4.081 26649 5391 1 14 . 1 1 25 25 GLU H H 25 9.125 9.125 9.000 0.125 26649 5392 1 14 . 1 1 26 26 LEU N N 26 129.185 129.185 125.979 3.206 26649 5393 1 14 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.692 0.137 26649 5394 1 14 . 1 1 26 26 LEU C C 26 179.291 179.291 176.993 2.298 26649 5395 1 14 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.877 3.261 26649 5396 1 14 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.209 5.085 26649 5397 1 14 . 1 1 26 26 LEU H H 26 9.305 9.305 8.328 0.977 26649 5398 1 14 . 1 1 27 27 GLU N N 27 119.943 119.943 121.668 -1.725 26649 5399 1 14 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.930 0.208 26649 5400 1 14 . 1 1 27 27 GLU C C 27 175.981 175.981 176.835 -0.854 26649 5401 1 14 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.230 2.115 26649 5402 1 14 . 1 1 27 27 GLU CB C 27 34.022 34.022 29.045 4.977 26649 5403 1 14 . 1 1 27 27 GLU H H 27 8.624 8.624 8.424 0.200 26649 5404 1 14 . 1 1 28 28 ASN N N 28 114.077 114.077 115.710 -1.633 26649 5405 1 14 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.617 0.019 26649 5406 1 14 . 1 1 28 28 ASN C C 28 176.489 176.489 175.201 1.288 26649 5407 1 14 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.374 1.935 26649 5408 1 14 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.549 4.638 26649 5409 1 14 . 1 1 28 28 ASN H H 28 7.268 7.268 8.127 -0.859 26649 5410 1 14 . 1 1 29 29 GLY N N 29 108.202 108.202 104.067 4.135 26649 5411 1 14 . 1 1 29 29 GLY C C 29 174.446 174.446 173.803 0.643 26649 5412 1 14 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.961 2.361 26649 5413 1 14 . 1 1 29 29 GLY H H 29 8.367 8.367 7.863 0.504 26649 5414 1 14 . 1 1 30 30 HIS N N 30 119.105 119.105 120.237 -1.132 26649 5415 1 14 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.033 -0.318 26649 5416 1 14 . 1 1 30 30 HIS C C 30 173.468 173.468 173.178 0.290 26649 5417 1 14 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.527 3.526 26649 5418 1 14 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.597 0.112 26649 5419 1 14 . 1 1 30 30 HIS H H 30 7.954 7.954 8.621 -0.667 26649 5420 1 14 . 1 1 31 31 VAL N N 31 124.046 124.046 122.852 1.194 26649 5421 1 14 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.289 0.762 26649 5422 1 14 . 1 1 31 31 VAL C C 31 176.209 176.209 173.226 2.983 26649 5423 1 14 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.318 2.252 26649 5424 1 14 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.016 1.038 26649 5425 1 14 . 1 1 31 31 VAL H H 31 8.601 8.601 8.073 0.528 26649 5426 1 14 . 1 1 32 32 VAL N N 32 120.179 120.179 125.246 -5.067 26649 5427 1 14 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.462 0.324 26649 5428 1 14 . 1 1 32 32 VAL C C 32 175.124 175.124 173.978 1.146 26649 5429 1 14 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.505 -0.642 26649 5430 1 14 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.035 3.794 26649 5431 1 14 . 1 1 32 32 VAL H H 32 8.966 8.966 8.842 0.124 26649 5432 1 14 . 1 1 33 33 THR N N 33 118.645 118.645 117.581 1.064 26649 5433 1 14 . 1 1 33 33 THR HA H 33 5.061 5.061 5.050 0.011 26649 5434 1 14 . 1 1 33 33 THR C C 33 174.171 174.171 172.711 1.460 26649 5435 1 14 . 1 1 33 33 THR CA C 33 65.278 65.278 61.230 4.048 26649 5436 1 14 . 1 1 33 33 THR CB C 33 72.059 72.059 70.394 1.665 26649 5437 1 14 . 1 1 33 33 THR H H 33 8.235 8.235 8.454 -0.219 26649 5438 1 14 . 1 1 34 34 ALA N N 34 129.128 129.128 126.994 2.134 26649 5439 1 14 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.441 0.131 26649 5440 1 14 . 1 1 34 34 ALA C C 34 175.686 175.686 174.598 1.088 26649 5441 1 14 . 1 1 34 34 ALA CA C 34 53.056 53.056 50.509 2.547 26649 5442 1 14 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.907 2.127 26649 5443 1 14 . 1 1 34 34 ALA H H 34 9.777 9.777 9.127 0.650 26649 5444 1 14 . 1 1 35 35 HIS N N 35 116.059 116.059 118.505 -2.446 26649 5445 1 14 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.151 0.360 26649 5446 1 14 . 1 1 35 35 HIS C C 35 174.302 174.302 173.788 0.514 26649 5447 1 14 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.269 2.783 26649 5448 1 14 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.286 3.400 26649 5449 1 14 . 1 1 35 35 HIS H H 35 7.712 7.712 8.651 -0.939 26649 5450 1 14 . 1 1 36 36 ILE N N 36 119.551 119.551 126.269 -6.718 26649 5451 1 14 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.013 0.496 26649 5452 1 14 . 1 1 36 36 ILE C C 36 175.686 175.686 175.063 0.623 26649 5453 1 14 . 1 1 36 36 ILE CA C 36 62.671 62.671 61.091 1.580 26649 5454 1 14 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.336 1.839 26649 5455 1 14 . 1 1 36 36 ILE H H 36 9.509 9.509 8.980 0.529 26649 5456 1 14 . 1 1 37 37 SER N N 37 120.084 120.084 122.513 -2.429 26649 5457 1 14 . 1 1 37 37 SER HA H 37 4.543 4.543 4.338 0.205 26649 5458 1 14 . 1 1 37 37 SER C C 37 175.073 175.073 175.695 -0.622 26649 5459 1 14 . 1 1 37 37 SER CA C 37 61.428 61.428 58.648 2.780 26649 5460 1 14 . 1 1 37 37 SER CB C 37 69.228 69.228 63.945 5.283 26649 5461 1 14 . 1 1 37 37 SER H H 37 8.427 8.427 8.571 -0.144 26649 5462 1 14 . 1 1 38 38 GLY N N 38 112.268 112.268 112.010 0.258 26649 5463 1 14 . 1 1 38 38 GLY C C 38 176.124 176.124 175.648 0.476 26649 5464 1 14 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.688 2.606 26649 5465 1 14 . 1 1 38 38 GLY H H 38 9.059 9.059 8.881 0.178 26649 5466 1 14 . 1 1 39 39 LYS N N 39 121.027 121.027 122.021 -0.994 26649 5467 1 14 . 1 1 39 39 LYS HA H 39 4.111 4.111 4.121 -0.010 26649 5468 1 14 . 1 1 39 39 LYS C C 39 178.155 178.155 179.127 -0.972 26649 5469 1 14 . 1 1 39 39 LYS CA C 39 61.553 61.553 58.891 2.662 26649 5470 1 14 . 1 1 39 39 LYS CB C 39 37.222 37.222 31.990 5.232 26649 5471 1 14 . 1 1 39 39 LYS H H 39 8.346 8.346 8.340 0.006 26649 5472 1 14 . 1 1 40 40 MET N N 40 118.288 118.288 116.068 2.220 26649 5473 1 14 . 1 1 40 40 MET HA H 40 4.281 4.281 4.266 0.015 26649 5474 1 14 . 1 1 40 40 MET C C 40 177.179 177.179 178.546 -1.367 26649 5475 1 14 . 1 1 40 40 MET CA C 40 58.000 58.000 57.817 0.183 26649 5476 1 14 . 1 1 40 40 MET CB C 40 36.025 36.025 31.694 4.331 26649 5477 1 14 . 1 1 40 40 MET H H 40 7.741 7.741 8.119 -0.378 26649 5478 1 14 . 1 1 41 41 ARG N N 41 119.988 119.988 117.034 2.954 26649 5479 1 14 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.417 -0.356 26649 5480 1 14 . 1 1 41 41 ARG C C 41 177.749 177.749 179.218 -1.469 26649 5481 1 14 . 1 1 41 41 ARG CA C 41 59.536 59.536 57.049 2.487 26649 5482 1 14 . 1 1 41 41 ARG CB C 41 32.096 32.096 29.868 2.228 26649 5483 1 14 . 1 1 41 41 ARG H H 41 7.948 7.948 7.443 0.505 26649 5484 1 14 . 1 1 42 42 LYS N N 42 119.136 119.136 120.415 -1.279 26649 5485 1 14 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.184 -0.106 26649 5486 1 14 . 1 1 42 42 LYS C C 42 176.430 176.430 177.683 -1.253 26649 5487 1 14 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.261 0.257 26649 5488 1 14 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.174 4.915 26649 5489 1 14 . 1 1 42 42 LYS H H 42 7.895 7.895 8.215 -0.320 26649 5490 1 14 . 1 1 43 43 ASN N N 43 116.823 116.823 115.585 1.238 26649 5491 1 14 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.440 0.226 26649 5492 1 14 . 1 1 43 43 ASN C C 43 174.310 174.310 173.874 0.436 26649 5493 1 14 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.918 1.024 26649 5494 1 14 . 1 1 43 43 ASN CB C 43 43.371 43.371 39.600 3.771 26649 5495 1 14 . 1 1 43 43 ASN H H 43 7.840 7.840 7.554 0.286 26649 5496 1 14 . 1 1 44 44 TYR N N 44 118.475 118.475 117.636 0.839 26649 5497 1 14 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.559 -0.202 26649 5498 1 14 . 1 1 44 44 TYR C C 44 175.072 175.072 174.652 0.420 26649 5499 1 14 . 1 1 44 44 TYR CA C 44 59.757 59.757 56.688 3.069 26649 5500 1 14 . 1 1 44 44 TYR CB C 44 42.222 42.222 40.906 1.317 26649 5501 1 14 . 1 1 44 44 TYR H H 44 7.701 7.701 7.256 0.445 26649 5502 1 14 . 1 1 45 45 ILE N N 45 123.061 123.061 122.899 0.162 26649 5503 1 14 . 1 1 45 45 ILE HA H 45 3.912 3.912 3.941 -0.029 26649 5504 1 14 . 1 1 45 45 ILE C C 45 174.790 174.790 176.138 -1.348 26649 5505 1 14 . 1 1 45 45 ILE CA C 45 62.935 62.935 61.710 1.225 26649 5506 1 14 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.205 2.513 26649 5507 1 14 . 1 1 45 45 ILE H H 45 7.538 7.538 8.543 -1.005 26649 5508 1 14 . 1 1 46 46 ARG N N 46 125.163 125.163 123.070 2.093 26649 5509 1 14 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.311 -0.123 26649 5510 1 14 . 1 1 46 46 ARG C C 46 174.870 174.870 176.112 -1.242 26649 5511 1 14 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.700 1.789 26649 5512 1 14 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.184 5.463 26649 5513 1 14 . 1 1 46 46 ARG H H 46 8.105 8.105 8.350 -0.245 26649 5514 1 14 . 1 1 47 47 ILE N N 47 126.439 126.439 123.719 2.720 26649 5515 1 14 . 1 1 47 47 ILE HA H 47 3.974 3.974 3.944 0.030 26649 5516 1 14 . 1 1 47 47 ILE C C 47 173.723 173.723 176.607 -2.884 26649 5517 1 14 . 1 1 47 47 ILE CA C 47 62.212 62.212 61.212 1.000 26649 5518 1 14 . 1 1 47 47 ILE CB C 47 42.293 42.293 38.967 3.326 26649 5519 1 14 . 1 1 47 47 ILE H H 47 8.072 8.072 8.291 -0.219 26649 5520 1 14 . 1 1 48 48 LEU N N 48 127.845 127.845 124.121 3.724 26649 5521 1 14 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.289 0.432 26649 5522 1 14 . 1 1 48 48 LEU C C 48 177.100 177.100 176.219 0.881 26649 5523 1 14 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.704 0.938 26649 5524 1 14 . 1 1 48 48 LEU CB C 48 48.008 48.008 41.588 6.420 26649 5525 1 14 . 1 1 48 48 LEU H H 48 8.662 8.662 8.132 0.530 26649 5526 1 14 . 1 1 49 49 THR N N 49 115.775 115.775 114.671 1.104 26649 5527 1 14 . 1 1 49 49 THR HA H 49 3.611 3.611 3.955 -0.344 26649 5528 1 14 . 1 1 49 49 THR C C 49 175.507 175.507 175.233 0.274 26649 5529 1 14 . 1 1 49 49 THR CA C 49 67.651 67.651 64.285 3.366 26649 5530 1 14 . 1 1 49 49 THR CB C 49 71.174 71.174 68.982 2.192 26649 5531 1 14 . 1 1 49 49 THR H H 49 8.281 8.281 8.010 0.271 26649 5532 1 14 . 1 1 50 50 GLY N N 50 116.246 116.246 114.828 1.418 26649 5533 1 14 . 1 1 50 50 GLY C C 50 174.433 174.433 172.815 1.618 26649 5534 1 14 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.852 2.027 26649 5535 1 14 . 1 1 50 50 GLY H H 50 9.211 9.211 8.813 0.398 26649 5536 1 14 . 1 1 51 51 ASP N N 51 121.695 121.695 121.965 -0.270 26649 5537 1 14 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.707 -0.132 26649 5538 1 14 . 1 1 51 51 ASP C C 51 175.571 175.571 175.470 0.101 26649 5539 1 14 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.511 4.940 26649 5540 1 14 . 1 1 51 51 ASP CB C 51 45.469 45.469 43.047 2.422 26649 5541 1 14 . 1 1 51 51 ASP H H 51 8.114 8.114 7.708 0.406 26649 5542 1 14 . 1 1 52 52 LYS N N 52 121.380 121.380 124.938 -3.558 26649 5543 1 14 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.558 0.536 26649 5544 1 14 . 1 1 52 52 LYS C C 52 176.630 176.630 176.272 0.358 26649 5545 1 14 . 1 1 52 52 LYS CA C 52 57.092 57.092 57.072 0.020 26649 5546 1 14 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.353 4.554 26649 5547 1 14 . 1 1 52 52 LYS H H 52 8.504 8.504 8.030 0.474 26649 5548 1 14 . 1 1 53 53 VAL N N 53 115.067 115.067 118.589 -3.522 26649 5549 1 14 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.222 -0.039 26649 5550 1 14 . 1 1 53 53 VAL C C 53 174.865 174.865 174.735 0.130 26649 5551 1 14 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.367 0.675 26649 5552 1 14 . 1 1 53 53 VAL CB C 53 38.523 38.523 36.181 2.342 26649 5553 1 14 . 1 1 53 53 VAL H H 53 8.730 8.730 8.943 -0.213 26649 5554 1 14 . 1 1 54 54 ARG N N 54 118.772 118.772 120.713 -1.941 26649 5555 1 14 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.668 0.226 26649 5556 1 14 . 1 1 54 54 ARG C C 54 175.140 175.140 175.545 -0.405 26649 5557 1 14 . 1 1 54 54 ARG CA C 54 56.636 56.636 54.808 1.828 26649 5558 1 14 . 1 1 54 54 ARG CB C 54 37.543 37.543 30.602 6.941 26649 5559 1 14 . 1 1 54 54 ARG H H 54 8.208 8.208 8.033 0.175 26649 5560 1 14 . 1 1 55 55 VAL N N 55 121.560 121.560 124.787 -3.227 26649 5561 1 14 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.011 -0.269 26649 5562 1 14 . 1 1 55 55 VAL C C 55 173.816 173.816 175.207 -1.391 26649 5563 1 14 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.149 0.654 26649 5564 1 14 . 1 1 55 55 VAL CB C 55 36.721 36.721 32.871 3.850 26649 5565 1 14 . 1 1 55 55 VAL H H 55 8.961 8.961 9.283 -0.322 26649 5566 1 14 . 1 1 56 56 GLU N N 56 126.127 126.127 127.074 -0.947 26649 5567 1 14 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.271 -0.368 26649 5568 1 14 . 1 1 56 56 GLU C C 56 176.010 176.010 175.562 0.448 26649 5569 1 14 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.151 1.617 26649 5570 1 14 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.932 3.298 26649 5571 1 14 . 1 1 56 56 GLU H H 56 9.296 9.296 8.980 0.316 26649 5572 1 14 . 1 1 57 57 LEU N N 57 129.725 129.725 128.655 1.070 26649 5573 1 14 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.689 0.042 26649 5574 1 14 . 1 1 57 57 LEU C C 57 175.520 175.520 177.632 -2.112 26649 5575 1 14 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.914 2.273 26649 5576 1 14 . 1 1 57 57 LEU CB C 57 46.040 46.040 42.800 3.240 26649 5577 1 14 . 1 1 57 57 LEU H H 57 9.057 9.057 9.173 -0.116 26649 5578 1 14 . 1 1 58 58 THR N N 58 114.373 114.373 115.616 -1.243 26649 5579 1 14 . 1 1 58 58 THR HA H 58 4.684 4.684 4.411 0.273 26649 5580 1 14 . 1 1 58 58 THR CA C 58 59.837 59.837 60.401 -0.564 26649 5581 1 14 . 1 1 58 58 THR CB C 58 71.774 71.774 68.660 3.114 26649 5582 1 14 . 1 1 58 58 THR H H 58 8.645 8.645 8.025 0.620 26649 5583 1 14 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.043 0.073 26649 5584 1 14 . 1 1 59 59 PRO C C 59 176.717 176.717 176.185 0.532 26649 5585 1 14 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.452 2.877 26649 5586 1 14 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.303 5.093 26649 5587 1 14 . 1 1 60 60 TYR N N 60 113.100 113.100 113.262 -0.162 26649 5588 1 14 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.344 0.089 26649 5589 1 14 . 1 1 60 60 TYR C C 60 175.684 175.684 175.785 -0.101 26649 5590 1 14 . 1 1 60 60 TYR CA C 60 59.054 59.054 57.175 1.879 26649 5591 1 14 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.027 4.318 26649 5592 1 14 . 1 1 60 60 TYR H H 60 7.057 7.057 6.671 0.386 26649 5593 1 14 . 1 1 61 61 ASP N N 61 118.239 118.239 115.286 2.953 26649 5594 1 14 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.296 0.411 26649 5595 1 14 . 1 1 61 61 ASP C C 61 175.155 175.155 176.517 -1.362 26649 5596 1 14 . 1 1 61 61 ASP CA C 61 57.236 57.236 55.141 2.095 26649 5597 1 14 . 1 1 61 61 ASP CB C 61 45.118 45.118 39.146 5.972 26649 5598 1 14 . 1 1 61 61 ASP H H 61 7.349 7.349 8.292 -0.943 26649 5599 1 14 . 1 1 62 62 LEU N N 62 124.571 124.571 115.925 8.646 26649 5600 1 14 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.340 0.060 26649 5601 1 14 . 1 1 62 62 LEU C C 62 176.534 176.534 177.791 -1.257 26649 5602 1 14 . 1 1 62 62 LEU CA C 62 57.064 57.064 56.528 0.536 26649 5603 1 14 . 1 1 62 62 LEU CB C 62 45.466 45.466 42.009 3.457 26649 5604 1 14 . 1 1 62 62 LEU H H 62 8.713 8.713 8.242 0.471 26649 5605 1 14 . 1 1 63 63 SER N N 63 113.199 113.199 110.914 2.285 26649 5606 1 14 . 1 1 63 63 SER HA H 63 4.672 4.672 4.647 0.025 26649 5607 1 14 . 1 1 63 63 SER C C 63 174.199 174.199 173.394 0.805 26649 5608 1 14 . 1 1 63 63 SER CA C 63 60.593 60.593 58.033 2.560 26649 5609 1 14 . 1 1 63 63 SER CB C 63 69.233 69.233 64.468 4.765 26649 5610 1 14 . 1 1 63 63 SER H H 63 8.515 8.515 8.418 0.097 26649 5611 1 14 . 1 1 64 64 LYS N N 64 122.388 122.388 120.788 1.600 26649 5612 1 14 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.265 0.198 26649 5613 1 14 . 1 1 64 64 LYS C C 64 174.870 174.870 175.507 -0.637 26649 5614 1 14 . 1 1 64 64 LYS CA C 64 55.588 55.588 54.858 0.730 26649 5615 1 14 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.491 4.668 26649 5616 1 14 . 1 1 64 64 LYS H H 64 7.646 7.646 7.849 -0.203 26649 5617 1 14 . 1 1 65 65 GLY N N 65 103.185 103.185 108.519 -5.334 26649 5618 1 14 . 1 1 65 65 GLY C C 65 171.434 171.434 171.991 -0.557 26649 5619 1 14 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.374 2.911 26649 5620 1 14 . 1 1 65 65 GLY H H 65 7.803 7.803 8.906 -1.103 26649 5621 1 14 . 1 1 66 66 ARG N N 66 118.652 118.652 117.227 1.425 26649 5622 1 14 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.805 0.161 26649 5623 1 14 . 1 1 66 66 ARG C C 66 175.315 175.315 174.418 0.897 26649 5624 1 14 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.541 0.394 26649 5625 1 14 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.830 3.190 26649 5626 1 14 . 1 1 66 66 ARG H H 66 8.468 8.468 8.432 0.036 26649 5627 1 14 . 1 1 67 67 ILE N N 67 125.685 125.685 121.436 4.249 26649 5628 1 14 . 1 1 67 67 ILE HA H 67 4.523 4.523 5.041 -0.518 26649 5629 1 14 . 1 1 67 67 ILE C C 67 175.888 175.888 175.432 0.456 26649 5630 1 14 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.337 4.641 26649 5631 1 14 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.945 2.728 26649 5632 1 14 . 1 1 67 67 ILE H H 67 9.078 9.078 8.138 0.940 26649 5633 1 14 . 1 1 68 68 THR N N 68 117.575 117.575 121.247 -3.672 26649 5634 1 14 . 1 1 68 68 THR HA H 68 4.485 4.485 4.484 0.001 26649 5635 1 14 . 1 1 68 68 THR C C 68 174.989 174.989 172.433 2.556 26649 5636 1 14 . 1 1 68 68 THR CA C 68 64.174 64.174 62.049 2.125 26649 5637 1 14 . 1 1 68 68 THR CB C 68 72.920 72.920 70.058 2.861 26649 5638 1 14 . 1 1 68 68 THR H H 68 8.649 8.649 8.388 0.261 26649 5639 1 14 . 1 1 69 69 TYR N N 69 122.143 122.143 123.159 -1.016 26649 5640 1 14 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.394 0.197 26649 5641 1 14 . 1 1 69 69 TYR C C 69 172.880 172.880 173.137 -0.257 26649 5642 1 14 . 1 1 69 69 TYR CA C 69 62.804 62.804 57.635 5.170 26649 5643 1 14 . 1 1 69 69 TYR CB C 69 45.410 45.410 38.798 6.612 26649 5644 1 14 . 1 1 69 69 TYR H H 69 7.538 7.538 8.291 -0.753 26649 5645 1 14 . 1 1 70 70 ARG N N 70 126.202 126.202 124.159 2.043 26649 5646 1 14 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.080 -0.464 26649 5647 1 14 . 1 1 70 70 ARG C C 70 173.644 173.644 174.489 -0.845 26649 5648 1 14 . 1 1 70 70 ARG CA C 70 57.871 57.871 55.021 2.850 26649 5649 1 14 . 1 1 70 70 ARG CB C 70 36.386 36.386 32.272 4.114 26649 5650 1 14 . 1 1 70 70 ARG H H 70 7.716 7.716 8.474 -0.758 26649 5651 1 14 . 1 1 71 71 ALA N N 71 128.442 128.442 124.303 4.139 26649 5652 1 14 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.799 -0.703 26649 5653 1 14 . 1 1 71 71 ALA C C 71 176.753 176.753 174.995 1.758 26649 5654 1 14 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.888 4.378 26649 5655 1 14 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.142 -0.931 26649 5656 1 14 . 1 1 71 71 ALA H H 71 8.456 8.456 9.054 -0.598 26649 5657 1 15 . 1 1 2 2 SER N N 2 116.344 116.344 116.832 -0.488 26649 5658 1 15 . 1 1 2 2 SER HA H 2 4.543 4.543 4.155 0.388 26649 5659 1 15 . 1 1 2 2 SER C C 2 174.500 174.500 173.480 1.020 26649 5660 1 15 . 1 1 2 2 SER CA C 2 61.592 61.592 58.372 3.220 26649 5661 1 15 . 1 1 2 2 SER CB C 2 68.657 68.657 63.620 5.037 26649 5662 1 15 . 1 1 2 2 SER H H 2 8.756 8.756 8.295 0.461 26649 5663 1 15 . 1 1 3 3 LYS N N 3 123.531 123.531 120.694 2.837 26649 5664 1 15 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.078 0.247 26649 5665 1 15 . 1 1 3 3 LYS C C 3 176.570 176.570 175.622 0.948 26649 5666 1 15 . 1 1 3 3 LYS CA C 3 59.818 59.818 57.211 2.607 26649 5667 1 15 . 1 1 3 3 LYS CB C 3 37.493 37.493 31.941 5.553 26649 5668 1 15 . 1 1 3 3 LYS H H 3 8.582 8.582 8.449 0.133 26649 5669 1 15 . 1 1 4 4 GLU N N 4 121.085 121.085 120.553 0.532 26649 5670 1 15 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.312 0.030 26649 5671 1 15 . 1 1 4 4 GLU C C 4 176.071 176.071 175.911 0.160 26649 5672 1 15 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.256 3.667 26649 5673 1 15 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.738 3.682 26649 5674 1 15 . 1 1 4 4 GLU H H 4 8.488 8.488 8.274 0.214 26649 5675 1 15 . 1 1 5 5 ASP N N 5 120.965 120.965 119.142 1.823 26649 5676 1 15 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.459 0.195 26649 5677 1 15 . 1 1 5 5 ASP C C 5 175.760 175.760 175.070 0.690 26649 5678 1 15 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.899 2.363 26649 5679 1 15 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.365 4.240 26649 5680 1 15 . 1 1 5 5 ASP H H 5 8.235 8.235 7.897 0.338 26649 5681 1 15 . 1 1 6 6 SER N N 6 114.678 114.678 115.904 -1.226 26649 5682 1 15 . 1 1 6 6 SER HA H 6 4.783 4.783 4.595 0.188 26649 5683 1 15 . 1 1 6 6 SER C C 6 173.417 173.417 173.107 0.310 26649 5684 1 15 . 1 1 6 6 SER CA C 6 62.802 62.802 58.956 3.846 26649 5685 1 15 . 1 1 6 6 SER CB C 6 69.115 69.115 64.443 4.672 26649 5686 1 15 . 1 1 6 6 SER H H 6 8.018 8.018 8.448 -0.430 26649 5687 1 15 . 1 1 7 7 PHE N N 7 119.686 119.686 119.682 0.004 26649 5688 1 15 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.752 0.109 26649 5689 1 15 . 1 1 7 7 PHE C C 7 173.245 173.245 173.632 -0.387 26649 5690 1 15 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.191 1.231 26649 5691 1 15 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.986 1.744 26649 5692 1 15 . 1 1 7 7 PHE H H 7 8.612 8.612 8.160 0.452 26649 5693 1 15 . 1 1 8 8 GLU N N 8 119.627 119.627 120.728 -1.101 26649 5694 1 15 . 1 1 8 8 GLU HA H 8 5.395 5.395 4.875 0.520 26649 5695 1 15 . 1 1 8 8 GLU C C 8 176.059 176.059 175.344 0.715 26649 5696 1 15 . 1 1 8 8 GLU CA C 8 56.352 56.352 54.968 1.384 26649 5697 1 15 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.945 5.464 26649 5698 1 15 . 1 1 8 8 GLU H H 8 8.362 8.362 7.747 0.615 26649 5699 1 15 . 1 1 9 9 MET N N 9 121.547 121.547 122.626 -1.079 26649 5700 1 15 . 1 1 9 9 MET HA H 9 4.796 4.796 4.753 0.043 26649 5701 1 15 . 1 1 9 9 MET C C 9 174.247 174.247 174.044 0.203 26649 5702 1 15 . 1 1 9 9 MET CA C 9 57.733 57.733 55.325 2.408 26649 5703 1 15 . 1 1 9 9 MET CB C 9 42.776 42.776 37.312 5.464 26649 5704 1 15 . 1 1 9 9 MET H H 9 8.895 8.895 8.663 0.232 26649 5705 1 15 . 1 1 10 10 GLU N N 10 122.112 122.112 123.429 -1.317 26649 5706 1 15 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.115 -0.127 26649 5707 1 15 . 1 1 10 10 GLU C C 10 176.016 176.016 176.628 -0.612 26649 5708 1 15 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.147 0.538 26649 5709 1 15 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.662 5.130 26649 5710 1 15 . 1 1 10 10 GLU H H 10 8.820 8.820 8.649 0.171 26649 5711 1 15 . 1 1 11 11 GLY N N 11 106.766 106.766 109.272 -2.506 26649 5712 1 15 . 1 1 11 11 GLY C C 11 171.420 171.420 172.776 -1.356 26649 5713 1 15 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.073 3.035 26649 5714 1 15 . 1 1 11 11 GLY H H 11 8.771 8.771 8.980 -0.209 26649 5715 1 15 . 1 1 12 12 THR N N 12 116.018 116.018 117.435 -1.417 26649 5716 1 15 . 1 1 12 12 THR HA H 12 5.118 5.118 4.988 0.130 26649 5717 1 15 . 1 1 12 12 THR C C 12 174.240 174.240 173.871 0.369 26649 5718 1 15 . 1 1 12 12 THR CA C 12 64.101 64.101 61.729 2.372 26649 5719 1 15 . 1 1 12 12 THR CB C 12 74.309 74.309 70.686 3.623 26649 5720 1 15 . 1 1 12 12 THR H H 12 8.434 8.434 8.102 0.332 26649 5721 1 15 . 1 1 13 13 VAL N N 13 127.555 127.555 125.428 2.127 26649 5722 1 15 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.631 -0.612 26649 5723 1 15 . 1 1 13 13 VAL C C 13 176.464 176.464 174.464 2.000 26649 5724 1 15 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.546 6.121 26649 5725 1 15 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.481 4.520 26649 5726 1 15 . 1 1 13 13 VAL H H 13 9.177 9.177 8.239 0.938 26649 5727 1 15 . 1 1 14 14 VAL N N 14 124.300 124.300 123.823 0.477 26649 5728 1 15 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.584 0.075 26649 5729 1 15 . 1 1 14 14 VAL C C 14 175.424 175.424 174.640 0.784 26649 5730 1 15 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.298 2.719 26649 5731 1 15 . 1 1 14 14 VAL CB C 14 37.769 37.769 33.345 4.424 26649 5732 1 15 . 1 1 14 14 VAL H H 14 9.240 9.240 8.074 1.166 26649 5733 1 15 . 1 1 15 15 ASP N N 15 117.873 117.873 123.331 -5.458 26649 5734 1 15 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.745 0.255 26649 5735 1 15 . 1 1 15 15 ASP C C 15 175.239 175.239 174.966 0.273 26649 5736 1 15 . 1 1 15 15 ASP CA C 15 56.485 56.485 53.920 2.565 26649 5737 1 15 . 1 1 15 15 ASP CB C 15 47.198 47.198 45.025 2.173 26649 5738 1 15 . 1 1 15 15 ASP H H 15 7.912 7.912 8.151 -0.239 26649 5739 1 15 . 1 1 16 16 THR N N 16 115.850 115.850 114.167 1.683 26649 5740 1 15 . 1 1 16 16 THR HA H 16 4.415 4.415 4.641 -0.226 26649 5741 1 15 . 1 1 16 16 THR C C 16 172.752 172.752 173.958 -1.206 26649 5742 1 15 . 1 1 16 16 THR CA C 16 64.002 64.002 61.139 2.863 26649 5743 1 15 . 1 1 16 16 THR CB C 16 73.042 73.042 70.746 2.296 26649 5744 1 15 . 1 1 16 16 THR H H 16 8.666 8.666 8.374 0.292 26649 5745 1 15 . 1 1 17 17 LEU N N 17 124.937 124.937 121.966 2.971 26649 5746 1 15 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.978 -0.281 26649 5747 1 15 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.785 1.469 26649 5748 1 15 . 1 1 17 17 LEU CB C 17 43.502 43.502 44.266 -0.764 26649 5749 1 15 . 1 1 17 17 LEU H H 17 7.894 7.894 8.008 -0.114 26649 5750 1 15 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.536 -0.164 26649 5751 1 15 . 1 1 18 18 PRO C C 18 175.846 175.846 176.338 -0.492 26649 5752 1 15 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.642 2.585 26649 5753 1 15 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.610 4.343 26649 5754 1 15 . 1 1 19 19 ASN N N 19 114.919 114.919 118.095 -3.176 26649 5755 1 15 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.565 -0.220 26649 5756 1 15 . 1 1 19 19 ASN C C 19 175.137 175.137 174.665 0.472 26649 5757 1 15 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.583 3.198 26649 5758 1 15 . 1 1 19 19 ASN CB C 19 41.332 41.332 38.258 3.074 26649 5759 1 15 . 1 1 19 19 ASN H H 19 8.714 8.714 8.616 0.098 26649 5760 1 15 . 1 1 20 20 THR N N 20 110.616 110.616 108.623 1.993 26649 5761 1 15 . 1 1 20 20 THR HA H 20 3.881 3.881 3.671 0.210 26649 5762 1 15 . 1 1 20 20 THR C C 20 172.384 172.384 172.701 -0.317 26649 5763 1 15 . 1 1 20 20 THR CA C 20 65.985 65.985 63.532 2.453 26649 5764 1 15 . 1 1 20 20 THR CB C 20 70.012 70.012 67.317 2.695 26649 5765 1 15 . 1 1 20 20 THR H H 20 8.579 8.579 8.311 0.268 26649 5766 1 15 . 1 1 21 21 MET N N 21 115.910 115.910 117.452 -1.542 26649 5767 1 15 . 1 1 21 21 MET HA H 21 5.074 5.074 4.630 0.444 26649 5768 1 15 . 1 1 21 21 MET C C 21 175.080 175.080 173.554 1.526 26649 5769 1 15 . 1 1 21 21 MET CA C 21 54.347 54.347 54.321 0.026 26649 5770 1 15 . 1 1 21 21 MET CB C 21 38.359 38.359 37.462 0.897 26649 5771 1 15 . 1 1 21 21 MET H H 21 6.314 6.314 7.001 -0.687 26649 5772 1 15 . 1 1 22 22 PHE N N 22 115.989 115.989 115.609 0.380 26649 5773 1 15 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.186 -0.189 26649 5774 1 15 . 1 1 22 22 PHE C C 22 174.953 174.953 173.763 1.190 26649 5775 1 15 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.060 2.431 26649 5776 1 15 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.444 4.772 26649 5777 1 15 . 1 1 22 22 PHE H H 22 8.744 8.744 9.098 -0.354 26649 5778 1 15 . 1 1 23 23 ARG N N 23 122.523 122.523 121.183 1.340 26649 5779 1 15 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.055 0.181 26649 5780 1 15 . 1 1 23 23 ARG C C 23 175.828 175.828 173.917 1.911 26649 5781 1 15 . 1 1 23 23 ARG CA C 23 56.069 56.069 54.938 1.131 26649 5782 1 15 . 1 1 23 23 ARG CB C 23 35.838 35.838 34.198 1.640 26649 5783 1 15 . 1 1 23 23 ARG H H 23 8.661 8.661 8.699 -0.038 26649 5784 1 15 . 1 1 24 24 VAL N N 24 126.448 126.448 123.155 3.293 26649 5785 1 15 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.935 -0.251 26649 5786 1 15 . 1 1 24 24 VAL C C 24 173.637 173.637 173.973 -0.336 26649 5787 1 15 . 1 1 24 24 VAL CA C 24 62.771 62.771 59.938 2.833 26649 5788 1 15 . 1 1 24 24 VAL CB C 24 39.529 39.529 36.239 3.290 26649 5789 1 15 . 1 1 24 24 VAL H H 24 9.342 9.342 8.443 0.899 26649 5790 1 15 . 1 1 25 25 GLU N N 25 128.611 128.611 127.810 0.801 26649 5791 1 15 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.638 0.075 26649 5792 1 15 . 1 1 25 25 GLU C C 25 176.160 176.160 175.638 0.522 26649 5793 1 15 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.743 0.638 26649 5794 1 15 . 1 1 25 25 GLU CB C 25 35.171 35.171 30.988 4.183 26649 5795 1 15 . 1 1 25 25 GLU H H 25 9.125 9.125 9.025 0.100 26649 5796 1 15 . 1 1 26 26 LEU N N 26 129.185 129.185 125.214 3.971 26649 5797 1 15 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.758 0.071 26649 5798 1 15 . 1 1 26 26 LEU C C 26 179.291 179.291 177.288 2.003 26649 5799 1 15 . 1 1 26 26 LEU CA C 26 57.138 57.138 53.749 3.389 26649 5800 1 15 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.051 5.243 26649 5801 1 15 . 1 1 26 26 LEU H H 26 9.305 9.305 8.461 0.844 26649 5802 1 15 . 1 1 27 27 GLU N N 27 119.943 119.943 120.356 -0.413 26649 5803 1 15 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.907 0.231 26649 5804 1 15 . 1 1 27 27 GLU C C 27 175.981 175.981 176.833 -0.852 26649 5805 1 15 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.575 1.770 26649 5806 1 15 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.656 5.366 26649 5807 1 15 . 1 1 27 27 GLU H H 27 8.624 8.624 8.538 0.086 26649 5808 1 15 . 1 1 28 28 ASN N N 28 114.077 114.077 116.821 -2.744 26649 5809 1 15 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.562 0.074 26649 5810 1 15 . 1 1 28 28 ASN C C 28 176.489 176.489 175.083 1.406 26649 5811 1 15 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.553 1.756 26649 5812 1 15 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.879 4.308 26649 5813 1 15 . 1 1 28 28 ASN H H 28 7.268 7.268 8.098 -0.830 26649 5814 1 15 . 1 1 29 29 GLY N N 29 108.202 108.202 104.821 3.381 26649 5815 1 15 . 1 1 29 29 GLY C C 29 174.446 174.446 174.039 0.407 26649 5816 1 15 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.772 2.550 26649 5817 1 15 . 1 1 29 29 GLY H H 29 8.367 8.367 7.752 0.615 26649 5818 1 15 . 1 1 30 30 HIS N N 30 119.105 119.105 119.466 -0.361 26649 5819 1 15 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.056 -0.341 26649 5820 1 15 . 1 1 30 30 HIS C C 30 173.468 173.468 173.523 -0.055 26649 5821 1 15 . 1 1 30 30 HIS CA C 30 58.053 58.053 53.944 4.109 26649 5822 1 15 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.112 0.597 26649 5823 1 15 . 1 1 30 30 HIS H H 30 7.954 7.954 8.573 -0.619 26649 5824 1 15 . 1 1 31 31 VAL N N 31 124.046 124.046 120.577 3.469 26649 5825 1 15 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.506 0.545 26649 5826 1 15 . 1 1 31 31 VAL C C 31 176.209 176.209 173.798 2.411 26649 5827 1 15 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.600 1.970 26649 5828 1 15 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.183 0.871 26649 5829 1 15 . 1 1 31 31 VAL H H 31 8.601 8.601 8.522 0.079 26649 5830 1 15 . 1 1 32 32 VAL N N 32 120.179 120.179 123.775 -3.596 26649 5831 1 15 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.697 0.089 26649 5832 1 15 . 1 1 32 32 VAL C C 32 175.124 175.124 174.294 0.830 26649 5833 1 15 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.719 -0.856 26649 5834 1 15 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.633 3.196 26649 5835 1 15 . 1 1 32 32 VAL H H 32 8.966 8.966 8.613 0.353 26649 5836 1 15 . 1 1 33 33 THR N N 33 118.645 118.645 117.499 1.146 26649 5837 1 15 . 1 1 33 33 THR HA H 33 5.061 5.061 4.957 0.104 26649 5838 1 15 . 1 1 33 33 THR C C 33 174.171 174.171 172.490 1.681 26649 5839 1 15 . 1 1 33 33 THR CA C 33 65.278 65.278 61.559 3.719 26649 5840 1 15 . 1 1 33 33 THR CB C 33 72.059 72.059 70.546 1.513 26649 5841 1 15 . 1 1 33 33 THR H H 33 8.235 8.235 8.343 -0.108 26649 5842 1 15 . 1 1 34 34 ALA N N 34 129.128 129.128 127.653 1.475 26649 5843 1 15 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.526 0.046 26649 5844 1 15 . 1 1 34 34 ALA C C 34 175.686 175.686 174.788 0.898 26649 5845 1 15 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.797 3.259 26649 5846 1 15 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.996 2.038 26649 5847 1 15 . 1 1 34 34 ALA H H 34 9.777 9.777 9.378 0.399 26649 5848 1 15 . 1 1 35 35 HIS N N 35 116.059 116.059 117.938 -1.879 26649 5849 1 15 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.212 0.299 26649 5850 1 15 . 1 1 35 35 HIS C C 35 174.302 174.302 173.838 0.464 26649 5851 1 15 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.374 2.677 26649 5852 1 15 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.750 2.936 26649 5853 1 15 . 1 1 35 35 HIS H H 35 7.712 7.712 8.608 -0.896 26649 5854 1 15 . 1 1 36 36 ILE N N 36 119.551 119.551 124.534 -4.983 26649 5855 1 15 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.029 0.480 26649 5856 1 15 . 1 1 36 36 ILE C C 36 175.686 175.686 174.879 0.807 26649 5857 1 15 . 1 1 36 36 ILE CA C 36 62.671 62.671 61.485 1.186 26649 5858 1 15 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.360 1.815 26649 5859 1 15 . 1 1 36 36 ILE H H 36 9.509 9.509 8.844 0.665 26649 5860 1 15 . 1 1 37 37 SER N N 37 120.084 120.084 122.071 -1.987 26649 5861 1 15 . 1 1 37 37 SER HA H 37 4.543 4.543 4.382 0.161 26649 5862 1 15 . 1 1 37 37 SER C C 37 175.073 175.073 175.765 -0.692 26649 5863 1 15 . 1 1 37 37 SER CA C 37 61.428 61.428 57.955 3.473 26649 5864 1 15 . 1 1 37 37 SER CB C 37 69.228 69.228 64.751 4.477 26649 5865 1 15 . 1 1 37 37 SER H H 37 8.427 8.427 8.421 0.006 26649 5866 1 15 . 1 1 38 38 GLY N N 38 112.268 112.268 111.126 1.142 26649 5867 1 15 . 1 1 38 38 GLY C C 38 176.124 176.124 175.923 0.201 26649 5868 1 15 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.471 2.823 26649 5869 1 15 . 1 1 38 38 GLY H H 38 9.059 9.059 8.709 0.350 26649 5870 1 15 . 1 1 39 39 LYS N N 39 121.027 121.027 121.815 -0.788 26649 5871 1 15 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.908 0.203 26649 5872 1 15 . 1 1 39 39 LYS C C 39 178.155 178.155 179.147 -0.992 26649 5873 1 15 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.664 1.889 26649 5874 1 15 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.326 4.896 26649 5875 1 15 . 1 1 39 39 LYS H H 39 8.346 8.346 7.599 0.747 26649 5876 1 15 . 1 1 40 40 MET N N 40 118.288 118.288 116.581 1.707 26649 5877 1 15 . 1 1 40 40 MET HA H 40 4.281 4.281 4.097 0.184 26649 5878 1 15 . 1 1 40 40 MET C C 40 177.179 177.179 178.127 -0.948 26649 5879 1 15 . 1 1 40 40 MET CA C 40 58.000 58.000 58.993 -0.993 26649 5880 1 15 . 1 1 40 40 MET CB C 40 36.025 36.025 32.112 3.913 26649 5881 1 15 . 1 1 40 40 MET H H 40 7.741 7.741 7.848 -0.107 26649 5882 1 15 . 1 1 41 41 ARG N N 41 119.988 119.988 119.328 0.660 26649 5883 1 15 . 1 1 41 41 ARG HA H 41 4.061 4.061 3.901 0.160 26649 5884 1 15 . 1 1 41 41 ARG C C 41 177.749 177.749 178.698 -0.949 26649 5885 1 15 . 1 1 41 41 ARG CA C 41 59.536 59.536 59.438 0.098 26649 5886 1 15 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.001 2.095 26649 5887 1 15 . 1 1 41 41 ARG H H 41 7.948 7.948 7.565 0.383 26649 5888 1 15 . 1 1 42 42 LYS N N 42 119.136 119.136 117.752 1.384 26649 5889 1 15 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.145 -0.067 26649 5890 1 15 . 1 1 42 42 LYS C C 42 176.430 176.430 178.357 -1.927 26649 5891 1 15 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.484 0.034 26649 5892 1 15 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.305 4.784 26649 5893 1 15 . 1 1 42 42 LYS H H 42 7.895 7.895 7.601 0.294 26649 5894 1 15 . 1 1 43 43 ASN N N 43 116.823 116.823 117.388 -0.565 26649 5895 1 15 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.513 0.153 26649 5896 1 15 . 1 1 43 43 ASN C C 43 174.310 174.310 173.751 0.559 26649 5897 1 15 . 1 1 43 43 ASN CA C 43 54.942 54.942 52.769 2.173 26649 5898 1 15 . 1 1 43 43 ASN CB C 43 43.371 43.371 37.982 5.389 26649 5899 1 15 . 1 1 43 43 ASN H H 43 7.840 7.840 7.493 0.347 26649 5900 1 15 . 1 1 44 44 TYR N N 44 118.475 118.475 111.667 6.808 26649 5901 1 15 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.121 0.236 26649 5902 1 15 . 1 1 44 44 TYR C C 44 175.072 175.072 174.594 0.478 26649 5903 1 15 . 1 1 44 44 TYR CA C 44 59.757 59.757 57.498 2.259 26649 5904 1 15 . 1 1 44 44 TYR CB C 44 42.222 42.222 34.966 7.256 26649 5905 1 15 . 1 1 44 44 TYR H H 44 7.701 7.701 7.411 0.290 26649 5906 1 15 . 1 1 45 45 ILE N N 45 123.061 123.061 121.724 1.337 26649 5907 1 15 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.119 -0.207 26649 5908 1 15 . 1 1 45 45 ILE C C 45 174.790 174.790 176.125 -1.335 26649 5909 1 15 . 1 1 45 45 ILE CA C 45 62.935 62.935 58.720 4.215 26649 5910 1 15 . 1 1 45 45 ILE CB C 45 40.718 40.718 35.555 5.163 26649 5911 1 15 . 1 1 45 45 ILE H H 45 7.538 7.538 7.687 -0.149 26649 5912 1 15 . 1 1 46 46 ARG N N 46 125.163 125.163 126.286 -1.123 26649 5913 1 15 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.137 0.051 26649 5914 1 15 . 1 1 46 46 ARG C C 46 174.870 174.870 176.152 -1.282 26649 5915 1 15 . 1 1 46 46 ARG CA C 46 57.489 57.489 56.745 0.744 26649 5916 1 15 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.674 4.973 26649 5917 1 15 . 1 1 46 46 ARG H H 46 8.105 8.105 8.226 -0.121 26649 5918 1 15 . 1 1 47 47 ILE N N 47 126.439 126.439 120.989 5.450 26649 5919 1 15 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.108 -0.134 26649 5920 1 15 . 1 1 47 47 ILE C C 47 173.723 173.723 175.338 -1.615 26649 5921 1 15 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.624 1.588 26649 5922 1 15 . 1 1 47 47 ILE CB C 47 42.293 42.293 38.408 3.885 26649 5923 1 15 . 1 1 47 47 ILE H H 47 8.072 8.072 8.152 -0.080 26649 5924 1 15 . 1 1 48 48 LEU N N 48 127.845 127.845 122.970 4.875 26649 5925 1 15 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.874 -0.153 26649 5926 1 15 . 1 1 48 48 LEU C C 48 177.100 177.100 175.212 1.888 26649 5927 1 15 . 1 1 48 48 LEU CA C 48 55.642 55.642 53.403 2.239 26649 5928 1 15 . 1 1 48 48 LEU CB C 48 48.008 48.008 44.544 3.464 26649 5929 1 15 . 1 1 48 48 LEU H H 48 8.662 8.662 8.283 0.379 26649 5930 1 15 . 1 1 49 49 THR N N 49 115.775 115.775 116.073 -0.298 26649 5931 1 15 . 1 1 49 49 THR HA H 49 3.611 3.611 4.242 -0.631 26649 5932 1 15 . 1 1 49 49 THR C C 49 175.507 175.507 175.276 0.231 26649 5933 1 15 . 1 1 49 49 THR CA C 49 67.651 67.651 62.755 4.896 26649 5934 1 15 . 1 1 49 49 THR CB C 49 71.174 71.174 69.230 1.944 26649 5935 1 15 . 1 1 49 49 THR H H 49 8.281 8.281 8.145 0.136 26649 5936 1 15 . 1 1 50 50 GLY N N 50 116.246 116.246 116.850 -0.604 26649 5937 1 15 . 1 1 50 50 GLY C C 50 174.433 174.433 172.869 1.564 26649 5938 1 15 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.900 1.979 26649 5939 1 15 . 1 1 50 50 GLY H H 50 9.211 9.211 9.098 0.113 26649 5940 1 15 . 1 1 51 51 ASP N N 51 121.695 121.695 121.601 0.094 26649 5941 1 15 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.696 -0.121 26649 5942 1 15 . 1 1 51 51 ASP C C 51 175.571 175.571 175.301 0.270 26649 5943 1 15 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.317 5.134 26649 5944 1 15 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.773 2.696 26649 5945 1 15 . 1 1 51 51 ASP H H 51 8.114 8.114 7.663 0.451 26649 5946 1 15 . 1 1 52 52 LYS N N 52 121.380 121.380 126.144 -4.764 26649 5947 1 15 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.441 0.653 26649 5948 1 15 . 1 1 52 52 LYS C C 52 176.630 176.630 175.813 0.817 26649 5949 1 15 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.790 0.302 26649 5950 1 15 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.381 4.526 26649 5951 1 15 . 1 1 52 52 LYS H H 52 8.504 8.504 8.092 0.412 26649 5952 1 15 . 1 1 53 53 VAL N N 53 115.067 115.067 118.890 -3.823 26649 5953 1 15 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.145 0.038 26649 5954 1 15 . 1 1 53 53 VAL C C 53 174.865 174.865 174.253 0.612 26649 5955 1 15 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.740 0.302 26649 5956 1 15 . 1 1 53 53 VAL CB C 53 38.523 38.523 36.028 2.495 26649 5957 1 15 . 1 1 53 53 VAL H H 53 8.730 8.730 9.201 -0.471 26649 5958 1 15 . 1 1 54 54 ARG N N 54 118.772 118.772 120.389 -1.617 26649 5959 1 15 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.598 0.296 26649 5960 1 15 . 1 1 54 54 ARG C C 54 175.140 175.140 175.253 -0.113 26649 5961 1 15 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.228 1.408 26649 5962 1 15 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.289 6.254 26649 5963 1 15 . 1 1 54 54 ARG H H 54 8.208 8.208 8.193 0.015 26649 5964 1 15 . 1 1 55 55 VAL N N 55 121.560 121.560 127.044 -5.484 26649 5965 1 15 . 1 1 55 55 VAL HA H 55 4.742 4.742 4.970 -0.228 26649 5966 1 15 . 1 1 55 55 VAL C C 55 173.816 173.816 174.726 -0.910 26649 5967 1 15 . 1 1 55 55 VAL CA C 55 60.803 60.803 61.356 -0.553 26649 5968 1 15 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.166 3.555 26649 5969 1 15 . 1 1 55 55 VAL H H 55 8.961 8.961 8.889 0.072 26649 5970 1 15 . 1 1 56 56 GLU N N 56 126.127 126.127 127.559 -1.432 26649 5971 1 15 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.187 -0.284 26649 5972 1 15 . 1 1 56 56 GLU C C 56 176.010 176.010 175.554 0.456 26649 5973 1 15 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.171 1.596 26649 5974 1 15 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.707 3.523 26649 5975 1 15 . 1 1 56 56 GLU H H 56 9.296 9.296 8.668 0.628 26649 5976 1 15 . 1 1 57 57 LEU N N 57 129.725 129.725 128.441 1.284 26649 5977 1 15 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.659 0.072 26649 5978 1 15 . 1 1 57 57 LEU C C 57 175.520 175.520 177.693 -2.173 26649 5979 1 15 . 1 1 57 57 LEU CA C 57 56.187 56.187 54.222 1.965 26649 5980 1 15 . 1 1 57 57 LEU CB C 57 46.040 46.040 42.657 3.383 26649 5981 1 15 . 1 1 57 57 LEU H H 57 9.057 9.057 8.225 0.832 26649 5982 1 15 . 1 1 58 58 THR N N 58 114.373 114.373 114.831 -0.458 26649 5983 1 15 . 1 1 58 58 THR HA H 58 4.684 4.684 4.493 0.191 26649 5984 1 15 . 1 1 58 58 THR CA C 58 59.837 59.837 60.775 -0.938 26649 5985 1 15 . 1 1 58 58 THR CB C 58 71.774 71.774 68.683 3.091 26649 5986 1 15 . 1 1 58 58 THR H H 58 8.645 8.645 7.986 0.659 26649 5987 1 15 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.079 0.037 26649 5988 1 15 . 1 1 59 59 PRO C C 59 176.717 176.717 176.348 0.369 26649 5989 1 15 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.951 2.378 26649 5990 1 15 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.150 5.246 26649 5991 1 15 . 1 1 60 60 TYR N N 60 113.100 113.100 113.504 -0.404 26649 5992 1 15 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.377 0.056 26649 5993 1 15 . 1 1 60 60 TYR C C 60 175.684 175.684 176.309 -0.625 26649 5994 1 15 . 1 1 60 60 TYR CA C 60 59.054 59.054 57.631 1.423 26649 5995 1 15 . 1 1 60 60 TYR CB C 60 42.345 42.345 37.946 4.399 26649 5996 1 15 . 1 1 60 60 TYR H H 60 7.057 7.057 7.008 0.049 26649 5997 1 15 . 1 1 61 61 ASP N N 61 118.239 118.239 117.548 0.691 26649 5998 1 15 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.322 0.385 26649 5999 1 15 . 1 1 61 61 ASP C C 61 175.155 175.155 176.355 -1.200 26649 6000 1 15 . 1 1 61 61 ASP CA C 61 57.236 57.236 55.216 2.020 26649 6001 1 15 . 1 1 61 61 ASP CB C 61 45.118 45.118 40.019 5.099 26649 6002 1 15 . 1 1 61 61 ASP H H 61 7.349 7.349 8.319 -0.970 26649 6003 1 15 . 1 1 62 62 LEU N N 62 124.571 124.571 117.220 7.351 26649 6004 1 15 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.454 -0.054 26649 6005 1 15 . 1 1 62 62 LEU C C 62 176.534 176.534 177.853 -1.319 26649 6006 1 15 . 1 1 62 62 LEU CA C 62 57.064 57.064 56.587 0.477 26649 6007 1 15 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.956 3.510 26649 6008 1 15 . 1 1 62 62 LEU H H 62 8.713 8.713 8.353 0.360 26649 6009 1 15 . 1 1 63 63 SER N N 63 113.199 113.199 110.380 2.819 26649 6010 1 15 . 1 1 63 63 SER HA H 63 4.672 4.672 4.627 0.045 26649 6011 1 15 . 1 1 63 63 SER C C 63 174.199 174.199 173.582 0.617 26649 6012 1 15 . 1 1 63 63 SER CA C 63 60.593 60.593 58.302 2.291 26649 6013 1 15 . 1 1 63 63 SER CB C 63 69.233 69.233 65.466 3.767 26649 6014 1 15 . 1 1 63 63 SER H H 63 8.515 8.515 8.424 0.091 26649 6015 1 15 . 1 1 64 64 LYS N N 64 122.388 122.388 121.551 0.837 26649 6016 1 15 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.048 0.415 26649 6017 1 15 . 1 1 64 64 LYS C C 64 174.870 174.870 175.896 -1.026 26649 6018 1 15 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.214 0.374 26649 6019 1 15 . 1 1 64 64 LYS CB C 64 41.159 41.159 35.749 5.410 26649 6020 1 15 . 1 1 64 64 LYS H H 64 7.646 7.646 7.828 -0.182 26649 6021 1 15 . 1 1 65 65 GLY N N 65 103.185 103.185 108.226 -5.041 26649 6022 1 15 . 1 1 65 65 GLY C C 65 171.434 171.434 172.259 -0.825 26649 6023 1 15 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.323 2.962 26649 6024 1 15 . 1 1 65 65 GLY H H 65 7.803 7.803 8.945 -1.142 26649 6025 1 15 . 1 1 66 66 ARG N N 66 118.652 118.652 117.041 1.611 26649 6026 1 15 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.827 0.139 26649 6027 1 15 . 1 1 66 66 ARG C C 66 175.315 175.315 174.385 0.930 26649 6028 1 15 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.636 0.299 26649 6029 1 15 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.899 3.121 26649 6030 1 15 . 1 1 66 66 ARG H H 66 8.468 8.468 8.342 0.126 26649 6031 1 15 . 1 1 67 67 ILE N N 67 125.685 125.685 122.146 3.539 26649 6032 1 15 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.982 -0.459 26649 6033 1 15 . 1 1 67 67 ILE C C 67 175.888 175.888 175.260 0.628 26649 6034 1 15 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.423 4.555 26649 6035 1 15 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.740 2.933 26649 6036 1 15 . 1 1 67 67 ILE H H 67 9.078 9.078 7.998 1.080 26649 6037 1 15 . 1 1 68 68 THR N N 68 117.575 117.575 118.808 -1.233 26649 6038 1 15 . 1 1 68 68 THR HA H 68 4.485 4.485 4.616 -0.131 26649 6039 1 15 . 1 1 68 68 THR C C 68 174.989 174.989 173.242 1.747 26649 6040 1 15 . 1 1 68 68 THR CA C 68 64.174 64.174 61.586 2.588 26649 6041 1 15 . 1 1 68 68 THR CB C 68 72.920 72.920 69.963 2.957 26649 6042 1 15 . 1 1 68 68 THR H H 68 8.649 8.649 8.327 0.322 26649 6043 1 15 . 1 1 69 69 TYR N N 69 122.143 122.143 120.729 1.414 26649 6044 1 15 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.394 0.197 26649 6045 1 15 . 1 1 69 69 TYR C C 69 172.880 172.880 172.617 0.263 26649 6046 1 15 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.697 4.106 26649 6047 1 15 . 1 1 69 69 TYR CB C 69 45.410 45.410 40.273 5.138 26649 6048 1 15 . 1 1 69 69 TYR H H 69 7.538 7.538 8.296 -0.758 26649 6049 1 15 . 1 1 70 70 ARG N N 70 126.202 126.202 124.659 1.543 26649 6050 1 15 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.339 -0.723 26649 6051 1 15 . 1 1 70 70 ARG C C 70 173.644 173.644 173.388 0.256 26649 6052 1 15 . 1 1 70 70 ARG CA C 70 57.871 57.871 53.798 4.073 26649 6053 1 15 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.794 2.592 26649 6054 1 15 . 1 1 70 70 ARG H H 70 7.716 7.716 7.552 0.164 26649 6055 1 15 . 1 1 71 71 ALA N N 71 128.442 128.442 124.685 3.757 26649 6056 1 15 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.650 -0.554 26649 6057 1 15 . 1 1 71 71 ALA C C 71 176.753 176.753 175.001 1.752 26649 6058 1 15 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.306 4.960 26649 6059 1 15 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.668 -1.456 26649 6060 1 15 . 1 1 71 71 ALA H H 71 8.456 8.456 8.919 -0.463 26649 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 68 2.528 0.051 2.546 26649 2 1 1 "Average Difference" HA 75 0.327 -0.011 0.329 26649 3 1 1 "Average Difference" C 68 1.113 -0.192 1.104 26649 4 1 1 "Average Difference" CA 70 2.561 -2.134 1.425 26649 5 1 1 "Average Difference" CB 65 4.023 -3.664 1.672 26649 6 1 1 "Average Difference" HN 68 0.500 -0.103 0.493 26649 7 1 2 "Average Difference" N 68 2.440 -0.096 2.456 26649 8 1 2 "Average Difference" HA 75 0.335 -0.005 0.337 26649 9 1 2 "Average Difference" C 68 1.042 -0.199 1.030 26649 10 1 2 "Average Difference" CA 70 2.588 -2.112 1.506 26649 11 1 2 "Average Difference" CB 65 3.948 -3.548 1.746 26649 12 1 2 "Average Difference" HN 68 0.460 -0.072 0.458 26649 13 1 3 "Average Difference" N 68 2.818 -0.190 2.833 26649 14 1 3 "Average Difference" HA 75 0.340 0.004 0.342 26649 15 1 3 "Average Difference" C 68 1.072 -0.283 1.042 26649 16 1 3 "Average Difference" CA 70 2.517 -2.104 1.391 26649 17 1 3 "Average Difference" CB 65 3.922 -3.527 1.728 26649 18 1 3 "Average Difference" HN 68 0.489 -0.058 0.489 26649 19 1 4 "Average Difference" N 68 2.760 0.220 2.772 26649 20 1 4 "Average Difference" HA 75 0.343 0.005 0.345 26649 21 1 4 "Average Difference" C 68 1.090 -0.295 1.057 26649 22 1 4 "Average Difference" CA 70 2.608 -2.117 1.534 26649 23 1 4 "Average Difference" CB 65 3.903 -3.564 1.604 26649 24 1 4 "Average Difference" HN 68 0.496 -0.079 0.494 26649 25 1 5 "Average Difference" N 68 2.754 0.459 2.736 26649 26 1 5 "Average Difference" HA 75 0.360 -0.015 0.362 26649 27 1 5 "Average Difference" C 68 0.941 -0.181 0.930 26649 28 1 5 "Average Difference" CA 70 2.510 -2.022 1.498 26649 29 1 5 "Average Difference" CB 65 3.937 -3.611 1.581 26649 30 1 5 "Average Difference" HN 68 0.476 -0.064 0.475 26649 31 1 6 "Average Difference" N 68 2.821 0.365 2.819 26649 32 1 6 "Average Difference" HA 75 0.352 -0.020 0.353 26649 33 1 6 "Average Difference" C 68 1.070 -0.271 1.043 26649 34 1 6 "Average Difference" CA 70 2.583 -2.077 1.546 26649 35 1 6 "Average Difference" CB 65 3.939 -3.575 1.667 26649 36 1 6 "Average Difference" HN 68 0.514 -0.111 0.506 26649 37 1 7 "Average Difference" N 68 2.612 -0.053 2.630 26649 38 1 7 "Average Difference" HA 75 0.341 -0.043 0.340 26649 39 1 7 "Average Difference" C 68 1.110 -0.139 1.109 26649 40 1 7 "Average Difference" CA 70 2.584 -2.188 1.385 26649 41 1 7 "Average Difference" CB 65 4.135 -3.798 1.646 26649 42 1 7 "Average Difference" HN 68 0.501 -0.089 0.497 26649 43 1 8 "Average Difference" N 68 2.675 -0.089 2.693 26649 44 1 8 "Average Difference" HA 75 0.363 -0.013 0.365 26649 45 1 8 "Average Difference" C 68 1.030 -0.216 1.014 26649 46 1 8 "Average Difference" CA 70 2.591 -2.144 1.466 26649 47 1 8 "Average Difference" CB 65 3.990 -3.649 1.625 26649 48 1 8 "Average Difference" HN 68 0.501 -0.089 0.497 26649 49 1 9 "Average Difference" N 68 2.987 -0.054 3.009 26649 50 1 9 "Average Difference" HA 75 0.330 -0.021 0.332 26649 51 1 9 "Average Difference" C 68 1.051 -0.158 1.046 26649 52 1 9 "Average Difference" CA 70 2.522 -2.049 1.481 26649 53 1 9 "Average Difference" CB 65 4.081 -3.742 1.640 26649 54 1 9 "Average Difference" HN 68 0.474 -0.083 0.470 26649 55 1 10 "Average Difference" N 68 2.804 -0.143 2.821 26649 56 1 10 "Average Difference" HA 75 0.350 -0.028 0.351 26649 57 1 10 "Average Difference" C 68 1.087 -0.187 1.079 26649 58 1 10 "Average Difference" CA 70 2.649 -2.210 1.471 26649 59 1 10 "Average Difference" CB 65 4.110 -3.809 1.558 26649 60 1 10 "Average Difference" HN 68 0.512 -0.083 0.509 26649 61 1 11 "Average Difference" N 68 3.159 0.262 3.172 26649 62 1 11 "Average Difference" HA 75 0.347 -0.006 0.349 26649 63 1 11 "Average Difference" C 68 0.993 -0.109 0.994 26649 64 1 11 "Average Difference" CA 70 2.627 -2.151 1.518 26649 65 1 11 "Average Difference" CB 65 4.030 -3.665 1.688 26649 66 1 11 "Average Difference" HN 68 0.502 -0.056 0.502 26649 67 1 12 "Average Difference" N 68 2.737 -0.011 2.758 26649 68 1 12 "Average Difference" HA 75 0.335 0.004 0.337 26649 69 1 12 "Average Difference" C 68 0.996 -0.177 0.987 26649 70 1 12 "Average Difference" CA 70 2.643 -2.201 1.473 26649 71 1 12 "Average Difference" CB 65 3.953 -3.605 1.634 26649 72 1 12 "Average Difference" HN 68 0.511 -0.094 0.506 26649 73 1 13 "Average Difference" N 68 2.962 0.263 2.972 26649 74 1 13 "Average Difference" HA 75 0.336 -0.003 0.338 26649 75 1 13 "Average Difference" C 68 0.998 -0.161 0.992 26649 76 1 13 "Average Difference" CA 70 2.572 -2.127 1.457 26649 77 1 13 "Average Difference" CB 65 3.877 -3.571 1.522 26649 78 1 13 "Average Difference" HN 68 0.487 -0.059 0.487 26649 79 1 14 "Average Difference" N 68 2.756 0.088 2.775 26649 80 1 14 "Average Difference" HA 75 0.350 -0.034 0.351 26649 81 1 14 "Average Difference" C 68 1.157 -0.197 1.149 26649 82 1 14 "Average Difference" CA 70 2.533 -2.172 1.312 26649 83 1 14 "Average Difference" CB 65 4.043 -3.683 1.681 26649 84 1 14 "Average Difference" HN 68 0.514 -0.041 0.516 26649 85 1 15 "Average Difference" N 68 2.729 -0.281 2.734 26649 86 1 15 "Average Difference" HA 75 0.343 -0.030 0.344 26649 87 1 15 "Average Difference" C 68 1.070 -0.207 1.057 26649 88 1 15 "Average Difference" CA 70 2.647 -2.177 1.517 26649 89 1 15 "Average Difference" CB 65 3.957 -3.608 1.638 26649 90 1 15 "Average Difference" HN 68 0.500 -0.134 0.485 26649 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 26649 _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 SER N N 2 116.344 116.344 116.561 -0.217 26649 2 1 . 1 1 2 2 SER HA H 2 4.543 4.543 4.511 0.032 26649 3 1 . 1 1 2 2 SER C C 2 174.500 174.500 173.890 0.610 26649 4 1 . 1 1 2 2 SER CA C 2 61.592 61.592 58.604 2.988 26649 5 1 . 1 1 2 2 SER CB C 2 68.657 68.657 63.644 5.013 26649 6 1 . 1 1 2 2 SER H H 2 8.756 8.756 8.287 0.469 26649 7 1 . 1 1 3 3 LYS N N 3 123.531 123.531 122.019 1.512 26649 8 1 . 1 1 3 3 LYS HA H 3 4.325 4.325 4.349 -0.024 26649 9 1 . 1 1 3 3 LYS C C 3 176.570 176.570 175.809 0.761 26649 10 1 . 1 1 3 3 LYS CA C 3 59.818 59.818 56.519 3.299 26649 11 1 . 1 1 3 3 LYS CB C 3 37.493 37.493 32.973 4.520 26649 12 1 . 1 1 3 3 LYS H H 3 8.582 8.582 8.196 0.386 26649 13 1 . 1 1 4 4 GLU N N 4 121.085 121.085 121.063 0.022 26649 14 1 . 1 1 4 4 GLU HA H 4 4.342 4.342 4.332 0.010 26649 15 1 . 1 1 4 4 GLU C C 4 176.071 176.071 175.507 0.564 26649 16 1 . 1 1 4 4 GLU CA C 4 59.923 59.923 56.640 3.283 26649 17 1 . 1 1 4 4 GLU CB C 4 34.420 34.420 30.449 3.971 26649 18 1 . 1 1 4 4 GLU H H 4 8.488 8.488 8.358 0.130 26649 19 1 . 1 1 5 5 ASP N N 5 120.965 120.965 121.215 -0.250 26649 20 1 . 1 1 5 5 ASP HA H 5 4.654 4.654 4.646 0.008 26649 21 1 . 1 1 5 5 ASP C C 5 175.760 175.760 175.280 0.480 26649 22 1 . 1 1 5 5 ASP CA C 5 57.262 57.262 54.049 3.213 26649 23 1 . 1 1 5 5 ASP CB C 5 45.605 45.605 41.429 4.176 26649 24 1 . 1 1 5 5 ASP H H 5 8.235 8.235 8.344 -0.109 26649 25 1 . 1 1 6 6 SER N N 6 114.678 114.678 114.465 0.213 26649 26 1 . 1 1 6 6 SER HA H 6 4.783 4.783 4.569 0.214 26649 27 1 . 1 1 6 6 SER C C 6 173.417 173.417 173.307 0.110 26649 28 1 . 1 1 6 6 SER CA C 6 62.802 62.802 58.216 4.586 26649 29 1 . 1 1 6 6 SER CB C 6 69.115 69.115 64.669 4.446 26649 30 1 . 1 1 6 6 SER H H 6 8.018 8.018 7.888 0.130 26649 31 1 . 1 1 7 7 PHE N N 7 119.686 119.686 120.067 -0.381 26649 32 1 . 1 1 7 7 PHE HA H 7 4.861 4.861 4.754 0.107 26649 33 1 . 1 1 7 7 PHE C C 7 173.245 173.245 173.844 -0.599 26649 34 1 . 1 1 7 7 PHE CA C 7 58.422 58.422 57.282 1.140 26649 35 1 . 1 1 7 7 PHE CB C 7 44.730 44.730 42.711 2.019 26649 36 1 . 1 1 7 7 PHE H H 7 8.612 8.612 8.215 0.397 26649 37 1 . 1 1 8 8 GLU N N 8 119.627 119.627 123.252 -3.625 26649 38 1 . 1 1 8 8 GLU HA H 8 5.395 5.395 5.040 0.355 26649 39 1 . 1 1 8 8 GLU C C 8 176.059 176.059 175.525 0.534 26649 40 1 . 1 1 8 8 GLU CA C 8 56.352 56.352 55.318 1.034 26649 41 1 . 1 1 8 8 GLU CB C 8 37.409 37.409 31.711 5.698 26649 42 1 . 1 1 8 8 GLU H H 8 8.362 8.362 8.486 -0.124 26649 43 1 . 1 1 9 9 MET N N 9 121.547 121.547 122.922 -1.375 26649 44 1 . 1 1 9 9 MET HA H 9 4.796 4.796 4.716 0.080 26649 45 1 . 1 1 9 9 MET C C 9 174.247 174.247 173.960 0.287 26649 46 1 . 1 1 9 9 MET CA C 9 57.733 57.733 55.081 2.652 26649 47 1 . 1 1 9 9 MET CB C 9 42.776 42.776 36.998 5.778 26649 48 1 . 1 1 9 9 MET H H 9 8.895 8.895 8.861 0.034 26649 49 1 . 1 1 10 10 GLU N N 10 122.112 122.112 124.200 -2.088 26649 50 1 . 1 1 10 10 GLU HA H 10 4.988 4.988 5.153 -0.165 26649 51 1 . 1 1 10 10 GLU C C 10 176.016 176.016 176.490 -0.474 26649 52 1 . 1 1 10 10 GLU CA C 10 56.685 56.685 56.084 0.601 26649 53 1 . 1 1 10 10 GLU CB C 10 35.792 35.792 30.940 4.852 26649 54 1 . 1 1 10 10 GLU H H 10 8.820 8.820 8.632 0.188 26649 55 1 . 1 1 11 11 GLY N N 11 106.766 106.766 109.728 -2.962 26649 56 1 . 1 1 11 11 GLY C C 11 171.420 171.420 172.592 -1.172 26649 57 1 . 1 1 11 11 GLY CA C 11 48.108 48.108 45.133 2.975 26649 58 1 . 1 1 11 11 GLY H H 11 8.771 8.771 8.939 -0.168 26649 59 1 . 1 1 12 12 THR N N 12 116.018 116.018 115.957 0.061 26649 60 1 . 1 1 12 12 THR HA H 12 5.118 5.118 5.058 0.060 26649 61 1 . 1 1 12 12 THR C C 12 174.240 174.240 173.732 0.508 26649 62 1 . 1 1 12 12 THR CA C 12 64.101 64.101 61.081 3.020 26649 63 1 . 1 1 12 12 THR CB C 12 74.309 74.309 71.524 2.785 26649 64 1 . 1 1 12 12 THR H H 12 8.434 8.434 8.201 0.233 26649 65 1 . 1 1 13 13 VAL N N 13 127.555 127.555 125.228 2.327 26649 66 1 . 1 1 13 13 VAL HA H 13 4.019 4.019 4.461 -0.442 26649 67 1 . 1 1 13 13 VAL C C 13 176.464 176.464 174.392 2.072 26649 68 1 . 1 1 13 13 VAL CA C 13 67.667 67.667 61.891 5.776 26649 69 1 . 1 1 13 13 VAL CB C 13 36.001 36.001 31.853 4.148 26649 70 1 . 1 1 13 13 VAL H H 13 9.177 9.177 8.290 0.887 26649 71 1 . 1 1 14 14 VAL N N 14 124.300 124.300 125.065 -0.765 26649 72 1 . 1 1 14 14 VAL HA H 14 4.659 4.659 4.516 0.143 26649 73 1 . 1 1 14 14 VAL C C 14 175.424 175.424 174.417 1.007 26649 74 1 . 1 1 14 14 VAL CA C 14 64.017 64.017 61.230 2.787 26649 75 1 . 1 1 14 14 VAL CB C 14 37.769 37.769 32.418 5.351 26649 76 1 . 1 1 14 14 VAL H H 14 9.240 9.240 8.124 1.116 26649 77 1 . 1 1 15 15 ASP N N 15 117.873 117.873 123.258 -5.385 26649 78 1 . 1 1 15 15 ASP HA H 15 5.000 5.000 4.702 0.298 26649 79 1 . 1 1 15 15 ASP C C 15 175.239 175.239 174.601 0.638 26649 80 1 . 1 1 15 15 ASP CA C 15 56.485 56.485 54.359 2.126 26649 81 1 . 1 1 15 15 ASP CB C 15 47.198 47.198 44.008 3.190 26649 82 1 . 1 1 15 15 ASP H H 15 7.912 7.912 8.162 -0.250 26649 83 1 . 1 1 16 16 THR N N 16 115.850 115.850 116.778 -0.928 26649 84 1 . 1 1 16 16 THR HA H 16 4.415 4.415 4.696 -0.281 26649 85 1 . 1 1 16 16 THR C C 16 172.752 172.752 173.573 -0.821 26649 86 1 . 1 1 16 16 THR CA C 16 64.002 64.002 61.185 2.817 26649 87 1 . 1 1 16 16 THR CB C 16 73.042 73.042 69.909 3.133 26649 88 1 . 1 1 16 16 THR H H 16 8.666 8.666 8.400 0.266 26649 89 1 . 1 1 17 17 LEU N N 17 124.937 124.937 126.190 -1.253 26649 90 1 . 1 1 17 17 LEU HA H 17 4.697 4.697 4.865 -0.168 26649 91 1 . 1 1 17 17 LEU CA C 17 53.254 53.254 51.585 1.669 26649 92 1 . 1 1 17 17 LEU CB C 17 43.502 43.502 43.177 0.325 26649 93 1 . 1 1 17 17 LEU H H 17 7.894 7.894 8.174 -0.280 26649 94 1 . 1 1 18 18 PRO HA H 18 4.372 4.372 4.622 -0.250 26649 95 1 . 1 1 18 18 PRO C C 18 175.846 175.846 176.159 -0.313 26649 96 1 . 1 1 18 18 PRO CA C 18 65.227 65.227 62.520 2.707 26649 97 1 . 1 1 18 18 PRO CB C 18 36.953 36.953 32.248 4.705 26649 98 1 . 1 1 19 19 ASN N N 19 114.919 114.919 117.474 -2.555 26649 99 1 . 1 1 19 19 ASN HA H 19 4.345 4.345 4.485 -0.140 26649 100 1 . 1 1 19 19 ASN C C 19 175.137 175.137 174.240 0.897 26649 101 1 . 1 1 19 19 ASN CA C 19 56.781 56.781 53.483 3.298 26649 102 1 . 1 1 19 19 ASN CB C 19 41.332 41.332 37.580 3.752 26649 103 1 . 1 1 19 19 ASN H H 19 8.714 8.714 8.709 0.005 26649 104 1 . 1 1 20 20 THR N N 20 110.616 110.616 108.610 2.006 26649 105 1 . 1 1 20 20 THR HA H 20 3.881 3.881 3.779 0.102 26649 106 1 . 1 1 20 20 THR C C 20 172.384 172.384 172.718 -0.334 26649 107 1 . 1 1 20 20 THR CA C 20 65.985 65.985 63.458 2.527 26649 108 1 . 1 1 20 20 THR CB C 20 70.012 70.012 67.348 2.664 26649 109 1 . 1 1 20 20 THR H H 20 8.579 8.579 8.267 0.312 26649 110 1 . 1 1 21 21 MET N N 21 115.910 115.910 116.765 -0.855 26649 111 1 . 1 1 21 21 MET HA H 21 5.074 5.074 4.609 0.465 26649 112 1 . 1 1 21 21 MET C C 21 175.080 175.080 173.439 1.641 26649 113 1 . 1 1 21 21 MET CA C 21 54.347 54.347 54.199 0.148 26649 114 1 . 1 1 21 21 MET CB C 21 38.359 38.359 37.201 1.158 26649 115 1 . 1 1 21 21 MET H H 21 6.314 6.314 6.966 -0.652 26649 116 1 . 1 1 22 22 PHE N N 22 115.989 115.989 116.332 -0.343 26649 117 1 . 1 1 22 22 PHE HA H 22 4.997 4.997 5.078 -0.081 26649 118 1 . 1 1 22 22 PHE C C 22 174.953 174.953 173.812 1.141 26649 119 1 . 1 1 22 22 PHE CA C 22 59.491 59.491 57.137 2.354 26649 120 1 . 1 1 22 22 PHE CB C 22 48.216 48.216 43.310 4.906 26649 121 1 . 1 1 22 22 PHE H H 22 8.744 8.744 8.976 -0.232 26649 122 1 . 1 1 23 23 ARG N N 23 122.523 122.523 121.348 1.175 26649 123 1 . 1 1 23 23 ARG HA H 23 5.236 5.236 5.032 0.204 26649 124 1 . 1 1 23 23 ARG C C 23 175.828 175.828 174.401 1.427 26649 125 1 . 1 1 23 23 ARG CA C 23 56.069 56.069 55.115 0.954 26649 126 1 . 1 1 23 23 ARG CB C 23 35.838 35.838 33.267 2.571 26649 127 1 . 1 1 23 23 ARG H H 23 8.661 8.661 8.443 0.218 26649 128 1 . 1 1 24 24 VAL N N 24 126.448 126.448 124.834 1.614 26649 129 1 . 1 1 24 24 VAL HA H 24 4.684 4.684 4.948 -0.264 26649 130 1 . 1 1 24 24 VAL C C 24 173.637 173.637 174.471 -0.834 26649 131 1 . 1 1 24 24 VAL CA C 24 62.771 62.771 60.089 2.682 26649 132 1 . 1 1 24 24 VAL CB C 24 39.529 39.529 34.806 4.723 26649 133 1 . 1 1 24 24 VAL H H 24 9.342 9.342 8.901 0.441 26649 134 1 . 1 1 25 25 GLU N N 25 128.611 128.611 127.541 1.070 26649 135 1 . 1 1 25 25 GLU HA H 25 4.713 4.713 4.634 0.079 26649 136 1 . 1 1 25 25 GLU C C 25 176.160 176.160 175.625 0.535 26649 137 1 . 1 1 25 25 GLU CA C 25 56.381 56.381 55.735 0.646 26649 138 1 . 1 1 25 25 GLU CB C 25 35.171 35.171 31.160 4.011 26649 139 1 . 1 1 25 25 GLU H H 25 9.125 9.125 9.119 0.006 26649 140 1 . 1 1 26 26 LEU N N 26 129.185 129.185 125.176 4.009 26649 141 1 . 1 1 26 26 LEU HA H 26 4.829 4.829 4.728 0.101 26649 142 1 . 1 1 26 26 LEU C C 26 179.291 179.291 177.213 2.078 26649 143 1 . 1 1 26 26 LEU CA C 26 57.138 57.138 54.003 3.135 26649 144 1 . 1 1 26 26 LEU CB C 26 47.294 47.294 42.042 5.252 26649 145 1 . 1 1 26 26 LEU H H 26 9.305 9.305 8.661 0.644 26649 146 1 . 1 1 27 27 GLU N N 27 119.943 119.943 120.850 -0.907 26649 147 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 3.925 0.213 26649 148 1 . 1 1 27 27 GLU C C 27 175.981 175.981 176.750 -0.769 26649 149 1 . 1 1 27 27 GLU CA C 27 60.345 60.345 58.638 1.707 26649 150 1 . 1 1 27 27 GLU CB C 27 34.022 34.022 28.857 5.165 26649 151 1 . 1 1 27 27 GLU H H 27 8.624 8.624 8.539 0.085 26649 152 1 . 1 1 28 28 ASN N N 28 114.077 114.077 116.189 -2.112 26649 153 1 . 1 1 28 28 ASN HA H 28 4.636 4.636 4.601 0.035 26649 154 1 . 1 1 28 28 ASN C C 28 176.489 176.489 175.237 1.252 26649 155 1 . 1 1 28 28 ASN CA C 28 55.309 55.309 53.495 1.814 26649 156 1 . 1 1 28 28 ASN CB C 28 42.187 42.187 37.749 4.438 26649 157 1 . 1 1 28 28 ASN H H 28 7.268 7.268 8.084 -0.816 26649 158 1 . 1 1 29 29 GLY N N 29 108.202 108.202 105.039 3.163 26649 159 1 . 1 1 29 29 GLY C C 29 174.446 174.446 173.752 0.694 26649 160 1 . 1 1 29 29 GLY CA C 29 47.322 47.322 44.833 2.489 26649 161 1 . 1 1 29 29 GLY H H 29 8.367 8.367 7.853 0.514 26649 162 1 . 1 1 30 30 HIS N N 30 119.105 119.105 119.940 -0.835 26649 163 1 . 1 1 30 30 HIS HA H 30 4.715 4.715 5.012 -0.297 26649 164 1 . 1 1 30 30 HIS C C 30 173.468 173.468 173.335 0.133 26649 165 1 . 1 1 30 30 HIS CA C 30 58.053 58.053 54.808 3.245 26649 166 1 . 1 1 30 30 HIS CB C 30 33.709 33.709 33.475 0.234 26649 167 1 . 1 1 30 30 HIS H H 30 7.954 7.954 8.664 -0.710 26649 168 1 . 1 1 31 31 VAL N N 31 124.046 124.046 121.808 2.238 26649 169 1 . 1 1 31 31 VAL HA H 31 5.051 5.051 4.445 0.606 26649 170 1 . 1 1 31 31 VAL C C 31 176.209 176.209 173.807 2.402 26649 171 1 . 1 1 31 31 VAL CA C 31 62.570 62.570 60.751 1.819 26649 172 1 . 1 1 31 31 VAL CB C 31 35.054 35.054 34.471 0.583 26649 173 1 . 1 1 31 31 VAL H H 31 8.601 8.601 8.454 0.147 26649 174 1 . 1 1 32 32 VAL N N 32 120.179 120.179 124.069 -3.890 26649 175 1 . 1 1 32 32 VAL HA H 32 4.786 4.786 4.529 0.257 26649 176 1 . 1 1 32 32 VAL C C 32 175.124 175.124 174.311 0.813 26649 177 1 . 1 1 32 32 VAL CA C 32 59.863 59.863 60.379 -0.516 26649 178 1 . 1 1 32 32 VAL CB C 32 39.829 39.829 36.246 3.583 26649 179 1 . 1 1 32 32 VAL H H 32 8.966 8.966 8.968 -0.002 26649 180 1 . 1 1 33 33 THR N N 33 118.645 118.645 118.077 0.568 26649 181 1 . 1 1 33 33 THR HA H 33 5.061 5.061 5.006 0.055 26649 182 1 . 1 1 33 33 THR C C 33 174.171 174.171 172.971 1.200 26649 183 1 . 1 1 33 33 THR CA C 33 65.278 65.278 61.735 3.543 26649 184 1 . 1 1 33 33 THR CB C 33 72.059 72.059 70.000 2.059 26649 185 1 . 1 1 33 33 THR H H 33 8.235 8.235 8.194 0.041 26649 186 1 . 1 1 34 34 ALA N N 34 129.128 129.128 128.007 1.121 26649 187 1 . 1 1 34 34 ALA HA H 34 5.572 5.572 5.455 0.117 26649 188 1 . 1 1 34 34 ALA C C 34 175.686 175.686 174.899 0.787 26649 189 1 . 1 1 34 34 ALA CA C 34 53.056 53.056 49.742 3.314 26649 190 1 . 1 1 34 34 ALA CB C 34 25.034 25.034 22.635 2.399 26649 191 1 . 1 1 34 34 ALA H H 34 9.777 9.777 9.107 0.670 26649 192 1 . 1 1 35 35 HIS N N 35 116.059 116.059 116.897 -0.838 26649 193 1 . 1 1 35 35 HIS HA H 35 5.511 5.511 5.182 0.329 26649 194 1 . 1 1 35 35 HIS C C 35 174.302 174.302 173.513 0.789 26649 195 1 . 1 1 35 35 HIS CA C 35 57.051 57.051 54.951 2.100 26649 196 1 . 1 1 35 35 HIS CB C 35 36.686 36.686 33.538 3.148 26649 197 1 . 1 1 35 35 HIS H H 35 7.712 7.712 8.453 -0.741 26649 198 1 . 1 1 36 36 ILE N N 36 119.551 119.551 123.485 -3.934 26649 199 1 . 1 1 36 36 ILE HA H 36 4.509 4.509 4.177 0.332 26649 200 1 . 1 1 36 36 ILE C C 36 175.686 175.686 175.068 0.618 26649 201 1 . 1 1 36 36 ILE CA C 36 62.671 62.671 60.408 2.263 26649 202 1 . 1 1 36 36 ILE CB C 36 41.175 41.175 39.630 1.545 26649 203 1 . 1 1 36 36 ILE H H 36 9.509 9.509 8.627 0.882 26649 204 1 . 1 1 37 37 SER N N 37 120.084 120.084 121.762 -1.678 26649 205 1 . 1 1 37 37 SER HA H 37 4.543 4.543 4.472 0.071 26649 206 1 . 1 1 37 37 SER C C 37 175.073 175.073 176.075 -1.002 26649 207 1 . 1 1 37 37 SER CA C 37 61.428 61.428 58.630 2.798 26649 208 1 . 1 1 37 37 SER CB C 37 69.228 69.228 64.190 5.038 26649 209 1 . 1 1 37 37 SER H H 37 8.427 8.427 8.515 -0.088 26649 210 1 . 1 1 38 38 GLY N N 38 112.268 112.268 109.268 3.000 26649 211 1 . 1 1 38 38 GLY C C 38 176.124 176.124 175.830 0.294 26649 212 1 . 1 1 38 38 GLY CA C 38 49.294 49.294 46.431 2.863 26649 213 1 . 1 1 38 38 GLY H H 38 9.059 9.059 8.771 0.288 26649 214 1 . 1 1 39 39 LYS N N 39 121.027 121.027 121.455 -0.428 26649 215 1 . 1 1 39 39 LYS HA H 39 4.111 4.111 3.982 0.129 26649 216 1 . 1 1 39 39 LYS C C 39 178.155 178.155 178.591 -0.436 26649 217 1 . 1 1 39 39 LYS CA C 39 61.553 61.553 59.222 2.331 26649 218 1 . 1 1 39 39 LYS CB C 39 37.222 37.222 32.093 5.129 26649 219 1 . 1 1 39 39 LYS H H 39 8.346 8.346 8.124 0.222 26649 220 1 . 1 1 40 40 MET N N 40 118.288 118.288 116.740 1.548 26649 221 1 . 1 1 40 40 MET HA H 40 4.281 4.281 4.246 0.035 26649 222 1 . 1 1 40 40 MET C C 40 177.179 177.179 178.186 -1.007 26649 223 1 . 1 1 40 40 MET CA C 40 58.000 58.000 58.108 -0.108 26649 224 1 . 1 1 40 40 MET CB C 40 36.025 36.025 31.943 4.082 26649 225 1 . 1 1 40 40 MET H H 40 7.741 7.741 7.894 -0.153 26649 226 1 . 1 1 41 41 ARG N N 41 119.988 119.988 119.314 0.674 26649 227 1 . 1 1 41 41 ARG HA H 41 4.061 4.061 4.089 -0.028 26649 228 1 . 1 1 41 41 ARG C C 41 177.749 177.749 178.826 -1.077 26649 229 1 . 1 1 41 41 ARG CA C 41 59.536 59.536 58.889 0.647 26649 230 1 . 1 1 41 41 ARG CB C 41 32.096 32.096 30.063 2.033 26649 231 1 . 1 1 41 41 ARG H H 41 7.948 7.948 7.871 0.077 26649 232 1 . 1 1 42 42 LYS N N 42 119.136 119.136 118.281 0.855 26649 233 1 . 1 1 42 42 LYS HA H 42 4.078 4.078 4.189 -0.111 26649 234 1 . 1 1 42 42 LYS C C 42 176.430 176.430 177.818 -1.388 26649 235 1 . 1 1 42 42 LYS CA C 42 58.518 58.518 58.244 0.274 26649 236 1 . 1 1 42 42 LYS CB C 42 37.089 37.089 32.426 4.663 26649 237 1 . 1 1 42 42 LYS H H 42 7.895 7.895 7.832 0.063 26649 238 1 . 1 1 43 43 ASN N N 43 116.823 116.823 116.516 0.307 26649 239 1 . 1 1 43 43 ASN HA H 43 4.666 4.666 4.562 0.104 26649 240 1 . 1 1 43 43 ASN C C 43 174.310 174.310 174.531 -0.221 26649 241 1 . 1 1 43 43 ASN CA C 43 54.942 54.942 53.380 1.562 26649 242 1 . 1 1 43 43 ASN CB C 43 43.371 43.371 38.977 4.394 26649 243 1 . 1 1 43 43 ASN H H 43 7.840 7.840 7.779 0.061 26649 244 1 . 1 1 44 44 TYR N N 44 118.475 118.475 116.551 1.924 26649 245 1 . 1 1 44 44 TYR HA H 44 4.357 4.357 4.231 0.126 26649 246 1 . 1 1 44 44 TYR C C 44 175.072 175.072 174.642 0.430 26649 247 1 . 1 1 44 44 TYR CA C 44 59.757 59.757 58.625 1.132 26649 248 1 . 1 1 44 44 TYR CB C 44 42.222 42.222 37.950 4.272 26649 249 1 . 1 1 44 44 TYR H H 44 7.701 7.701 7.600 0.101 26649 250 1 . 1 1 45 45 ILE N N 45 123.061 123.061 121.591 1.470 26649 251 1 . 1 1 45 45 ILE HA H 45 3.912 3.912 4.052 -0.140 26649 252 1 . 1 1 45 45 ILE C C 45 174.790 174.790 175.422 -0.632 26649 253 1 . 1 1 45 45 ILE CA C 45 62.935 62.935 61.356 1.579 26649 254 1 . 1 1 45 45 ILE CB C 45 40.718 40.718 38.358 2.360 26649 255 1 . 1 1 45 45 ILE H H 45 7.538 7.538 7.981 -0.443 26649 256 1 . 1 1 46 46 ARG N N 46 125.163 125.163 125.342 -0.179 26649 257 1 . 1 1 46 46 ARG HA H 46 4.188 4.188 4.332 -0.144 26649 258 1 . 1 1 46 46 ARG C C 46 174.870 174.870 175.331 -0.461 26649 259 1 . 1 1 46 46 ARG CA C 46 57.489 57.489 55.944 1.545 26649 260 1 . 1 1 46 46 ARG CB C 46 35.647 35.647 30.895 4.752 26649 261 1 . 1 1 46 46 ARG H H 46 8.105 8.105 8.205 -0.100 26649 262 1 . 1 1 47 47 ILE N N 47 126.439 126.439 122.863 3.576 26649 263 1 . 1 1 47 47 ILE HA H 47 3.974 3.974 4.162 -0.188 26649 264 1 . 1 1 47 47 ILE C C 47 173.723 173.723 175.639 -1.916 26649 265 1 . 1 1 47 47 ILE CA C 47 62.212 62.212 60.447 1.765 26649 266 1 . 1 1 47 47 ILE CB C 47 42.293 42.293 39.132 3.161 26649 267 1 . 1 1 47 47 ILE H H 47 8.072 8.072 8.245 -0.173 26649 268 1 . 1 1 48 48 LEU N N 48 127.845 127.845 126.342 1.503 26649 269 1 . 1 1 48 48 LEU HA H 48 4.721 4.721 4.455 0.266 26649 270 1 . 1 1 48 48 LEU C C 48 177.100 177.100 176.422 0.678 26649 271 1 . 1 1 48 48 LEU CA C 48 55.642 55.642 54.595 1.047 26649 272 1 . 1 1 48 48 LEU CB C 48 48.008 48.008 43.034 4.974 26649 273 1 . 1 1 48 48 LEU H H 48 8.662 8.662 8.241 0.421 26649 274 1 . 1 1 49 49 THR N N 49 115.775 115.775 117.326 -1.551 26649 275 1 . 1 1 49 49 THR HA H 49 3.611 3.611 4.167 -0.556 26649 276 1 . 1 1 49 49 THR C C 49 175.507 175.507 174.983 0.524 26649 277 1 . 1 1 49 49 THR CA C 49 67.651 67.651 63.483 4.168 26649 278 1 . 1 1 49 49 THR CB C 49 71.174 71.174 69.236 1.938 26649 279 1 . 1 1 49 49 THR H H 49 8.281 8.281 8.117 0.164 26649 280 1 . 1 1 50 50 GLY N N 50 116.246 116.246 116.066 0.180 26649 281 1 . 1 1 50 50 GLY C C 50 174.433 174.433 172.818 1.615 26649 282 1 . 1 1 50 50 GLY CA C 50 46.879 46.879 44.917 1.962 26649 283 1 . 1 1 50 50 GLY H H 50 9.211 9.211 8.890 0.321 26649 284 1 . 1 1 51 51 ASP N N 51 121.695 121.695 121.457 0.238 26649 285 1 . 1 1 51 51 ASP HA H 51 4.575 4.575 4.675 -0.100 26649 286 1 . 1 1 51 51 ASP C C 51 175.571 175.571 175.501 0.070 26649 287 1 . 1 1 51 51 ASP CA C 51 58.451 58.451 53.185 5.266 26649 288 1 . 1 1 51 51 ASP CB C 51 45.469 45.469 42.845 2.624 26649 289 1 . 1 1 51 51 ASP H H 51 8.114 8.114 7.710 0.404 26649 290 1 . 1 1 52 52 LYS N N 52 121.380 121.380 125.578 -4.198 26649 291 1 . 1 1 52 52 LYS HA H 52 5.094 5.094 4.544 0.550 26649 292 1 . 1 1 52 52 LYS C C 52 176.630 176.630 175.926 0.704 26649 293 1 . 1 1 52 52 LYS CA C 52 57.092 57.092 56.904 0.188 26649 294 1 . 1 1 52 52 LYS CB C 52 36.907 36.907 32.428 4.479 26649 295 1 . 1 1 52 52 LYS H H 52 8.504 8.504 8.067 0.437 26649 296 1 . 1 1 53 53 VAL N N 53 115.067 115.067 119.130 -4.063 26649 297 1 . 1 1 53 53 VAL HA H 53 5.183 5.183 5.240 -0.057 26649 298 1 . 1 1 53 53 VAL C C 53 174.865 174.865 174.466 0.399 26649 299 1 . 1 1 53 53 VAL CA C 53 59.042 59.042 58.433 0.609 26649 300 1 . 1 1 53 53 VAL CB C 53 38.523 38.523 35.888 2.634 26649 301 1 . 1 1 53 53 VAL H H 53 8.730 8.730 9.069 -0.339 26649 302 1 . 1 1 54 54 ARG N N 54 118.772 118.772 121.019 -2.247 26649 303 1 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.631 0.263 26649 304 1 . 1 1 54 54 ARG C C 54 175.140 175.140 175.282 -0.142 26649 305 1 . 1 1 54 54 ARG CA C 54 56.636 56.636 55.244 1.392 26649 306 1 . 1 1 54 54 ARG CB C 54 37.543 37.543 31.233 6.310 26649 307 1 . 1 1 54 54 ARG H H 54 8.208 8.208 8.510 -0.302 26649 308 1 . 1 1 55 55 VAL N N 55 121.560 121.560 126.449 -4.889 26649 309 1 . 1 1 55 55 VAL HA H 55 4.742 4.742 5.046 -0.304 26649 310 1 . 1 1 55 55 VAL C C 55 173.816 173.816 175.149 -1.333 26649 311 1 . 1 1 55 55 VAL CA C 55 60.803 60.803 60.610 0.193 26649 312 1 . 1 1 55 55 VAL CB C 55 36.721 36.721 33.374 3.347 26649 313 1 . 1 1 55 55 VAL H H 55 8.961 8.961 8.970 -0.009 26649 314 1 . 1 1 56 56 GLU N N 56 126.127 126.127 126.109 0.018 26649 315 1 . 1 1 56 56 GLU HA H 56 4.903 4.903 5.226 -0.323 26649 316 1 . 1 1 56 56 GLU C C 56 176.010 176.010 175.770 0.240 26649 317 1 . 1 1 56 56 GLU CA C 56 55.767 55.767 54.420 1.347 26649 318 1 . 1 1 56 56 GLU CB C 56 36.230 36.230 32.039 4.191 26649 319 1 . 1 1 56 56 GLU H H 56 9.296 9.296 8.464 0.832 26649 320 1 . 1 1 57 57 LEU N N 57 129.725 129.725 127.569 2.156 26649 321 1 . 1 1 57 57 LEU HA H 57 4.731 4.731 4.897 -0.166 26649 322 1 . 1 1 57 57 LEU C C 57 175.520 175.520 177.209 -1.689 26649 323 1 . 1 1 57 57 LEU CA C 57 56.187 56.187 53.984 2.203 26649 324 1 . 1 1 57 57 LEU CB C 57 46.040 46.040 43.368 2.672 26649 325 1 . 1 1 57 57 LEU H H 57 9.057 9.057 8.727 0.330 26649 326 1 . 1 1 58 58 THR N N 58 114.373 114.373 112.746 1.627 26649 327 1 . 1 1 58 58 THR HA H 58 4.684 4.684 4.811 -0.127 26649 328 1 . 1 1 58 58 THR CA C 58 59.837 59.837 59.301 0.536 26649 329 1 . 1 1 58 58 THR CB C 58 71.774 71.774 69.626 2.148 26649 330 1 . 1 1 58 58 THR H H 58 8.645 8.645 8.018 0.627 26649 331 1 . 1 1 59 59 PRO HA H 59 4.116 4.116 4.278 -0.162 26649 332 1 . 1 1 59 59 PRO C C 59 176.717 176.717 176.933 -0.216 26649 333 1 . 1 1 59 59 PRO CA C 59 67.329 67.329 64.754 2.574 26649 334 1 . 1 1 59 59 PRO CB C 59 36.396 36.396 31.477 4.919 26649 335 1 . 1 1 60 60 TYR N N 60 113.100 113.100 116.424 -3.324 26649 336 1 . 1 1 60 60 TYR HA H 60 4.433 4.433 4.401 0.032 26649 337 1 . 1 1 60 60 TYR C C 60 175.684 175.684 175.491 0.193 26649 338 1 . 1 1 60 60 TYR CA C 60 59.054 59.054 58.673 0.381 26649 339 1 . 1 1 60 60 TYR CB C 60 42.345 42.345 38.649 3.696 26649 340 1 . 1 1 60 60 TYR H H 60 7.057 7.057 7.661 -0.604 26649 341 1 . 1 1 61 61 ASP N N 61 118.239 118.239 116.754 1.485 26649 342 1 . 1 1 61 61 ASP HA H 61 4.707 4.707 4.596 0.111 26649 343 1 . 1 1 61 61 ASP C C 61 175.155 175.155 175.768 -0.613 26649 344 1 . 1 1 61 61 ASP CA C 61 57.236 57.236 54.433 2.803 26649 345 1 . 1 1 61 61 ASP CB C 61 45.118 45.118 39.995 5.123 26649 346 1 . 1 1 61 61 ASP H H 61 7.349 7.349 7.877 -0.528 26649 347 1 . 1 1 62 62 LEU N N 62 124.571 124.571 120.548 4.023 26649 348 1 . 1 1 62 62 LEU HA H 62 4.400 4.400 4.153 0.247 26649 349 1 . 1 1 62 62 LEU C C 62 176.534 176.534 178.271 -1.737 26649 350 1 . 1 1 62 62 LEU CA C 62 57.064 57.064 57.112 -0.048 26649 351 1 . 1 1 62 62 LEU CB C 62 45.466 45.466 41.920 3.546 26649 352 1 . 1 1 62 62 LEU H H 62 8.713 8.713 8.464 0.249 26649 353 1 . 1 1 63 63 SER N N 63 113.199 113.199 111.497 1.702 26649 354 1 . 1 1 63 63 SER HA H 63 4.672 4.672 4.309 0.363 26649 355 1 . 1 1 63 63 SER C C 63 174.199 174.199 173.978 0.221 26649 356 1 . 1 1 63 63 SER CA C 63 60.593 60.593 59.653 0.940 26649 357 1 . 1 1 63 63 SER CB C 63 69.233 69.233 63.400 5.833 26649 358 1 . 1 1 63 63 SER H H 63 8.515 8.515 8.253 0.262 26649 359 1 . 1 1 64 64 LYS N N 64 122.388 122.388 119.287 3.101 26649 360 1 . 1 1 64 64 LYS HA H 64 5.463 5.463 5.149 0.314 26649 361 1 . 1 1 64 64 LYS C C 64 174.870 174.870 175.309 -0.439 26649 362 1 . 1 1 64 64 LYS CA C 64 55.588 55.588 55.051 0.537 26649 363 1 . 1 1 64 64 LYS CB C 64 41.159 41.159 36.571 4.588 26649 364 1 . 1 1 64 64 LYS H H 64 7.646 7.646 7.814 -0.168 26649 365 1 . 1 1 65 65 GLY N N 65 103.185 103.185 108.476 -5.291 26649 366 1 . 1 1 65 65 GLY C C 65 171.434 171.434 172.161 -0.727 26649 367 1 . 1 1 65 65 GLY CA C 65 48.285 48.285 45.389 2.896 26649 368 1 . 1 1 65 65 GLY H H 65 7.803 7.803 8.706 -0.903 26649 369 1 . 1 1 66 66 ARG N N 66 118.652 118.652 117.335 1.317 26649 370 1 . 1 1 66 66 ARG HA H 66 4.966 4.966 4.748 0.218 26649 371 1 . 1 1 66 66 ARG C C 66 175.315 175.315 174.431 0.884 26649 372 1 . 1 1 66 66 ARG CA C 66 54.935 54.935 54.382 0.553 26649 373 1 . 1 1 66 66 ARG CB C 66 37.020 37.020 33.828 3.192 26649 374 1 . 1 1 66 66 ARG H H 66 8.468 8.468 8.218 0.250 26649 375 1 . 1 1 67 67 ILE N N 67 125.685 125.685 120.975 4.710 26649 376 1 . 1 1 67 67 ILE HA H 67 4.523 4.523 4.875 -0.352 26649 377 1 . 1 1 67 67 ILE C C 67 175.888 175.888 175.451 0.437 26649 378 1 . 1 1 67 67 ILE CA C 67 64.978 64.978 60.573 4.405 26649 379 1 . 1 1 67 67 ILE CB C 67 43.673 43.673 40.613 3.060 26649 380 1 . 1 1 67 67 ILE H H 67 9.078 9.078 8.047 1.031 26649 381 1 . 1 1 68 68 THR N N 68 117.575 117.575 120.509 -2.934 26649 382 1 . 1 1 68 68 THR HA H 68 4.485 4.485 4.493 -0.008 26649 383 1 . 1 1 68 68 THR C C 68 174.989 174.989 172.963 2.026 26649 384 1 . 1 1 68 68 THR CA C 68 64.174 64.174 61.794 2.380 26649 385 1 . 1 1 68 68 THR CB C 68 72.920 72.920 69.880 3.040 26649 386 1 . 1 1 68 68 THR H H 68 8.649 8.649 8.392 0.257 26649 387 1 . 1 1 69 69 TYR N N 69 122.143 122.143 122.755 -0.612 26649 388 1 . 1 1 69 69 TYR HA H 69 4.591 4.591 4.345 0.246 26649 389 1 . 1 1 69 69 TYR C C 69 172.880 172.880 172.952 -0.072 26649 390 1 . 1 1 69 69 TYR CA C 69 62.804 62.804 58.429 4.375 26649 391 1 . 1 1 69 69 TYR CB C 69 45.410 45.410 39.245 6.165 26649 392 1 . 1 1 69 69 TYR H H 69 7.538 7.538 8.183 -0.645 26649 393 1 . 1 1 70 70 ARG N N 70 126.202 126.202 124.247 1.955 26649 394 1 . 1 1 70 70 ARG HA H 70 4.616 4.616 5.237 -0.621 26649 395 1 . 1 1 70 70 ARG C C 70 173.644 173.644 173.852 -0.208 26649 396 1 . 1 1 70 70 ARG CA C 70 57.871 57.871 54.371 3.500 26649 397 1 . 1 1 70 70 ARG CB C 70 36.386 36.386 33.445 2.941 26649 398 1 . 1 1 70 70 ARG H H 70 7.716 7.716 7.786 -0.070 26649 399 1 . 1 1 71 71 ALA N N 71 128.442 128.442 123.600 4.842 26649 400 1 . 1 1 71 71 ALA HA H 71 4.096 4.096 4.662 -0.566 26649 401 1 . 1 1 71 71 ALA C C 71 176.753 176.753 175.344 1.409 26649 402 1 . 1 1 71 71 ALA CA C 71 55.266 55.266 50.796 4.470 26649 403 1 . 1 1 71 71 ALA CB C 71 21.211 21.211 22.131 -0.920 26649 404 1 . 1 1 71 71 ALA H H 71 8.456 8.456 8.936 -0.480 26649 stop_ save_