data_25515 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25515 _Entry.PDB_ID 2N05 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 25515 _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 ALA HA H 2 4.291 4.291 4.578 -0.287 25515 2 1 1 . 1 1 2 2 ALA C C 2 175.019 175.019 176.390 -1.371 25515 3 1 1 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.150 1.421 25515 4 1 1 . 1 1 2 2 ALA CB C 2 19.119 19.119 20.814 -1.695 25515 5 1 1 . 1 1 3 3 ASP N N 3 120.192 120.192 123.941 -3.749 25515 6 1 1 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.640 -0.155 25515 7 1 1 . 1 1 3 3 ASP C C 3 175.549 175.549 176.229 -0.680 25515 8 1 1 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.896 -0.644 25515 9 1 1 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.261 -0.029 25515 10 1 1 . 1 1 3 3 ASP H H 3 8.336 8.336 8.500 -0.164 25515 11 1 1 . 1 1 4 4 GLN N N 4 121.286 121.286 122.535 -1.249 25515 12 1 1 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.355 -0.153 25515 13 1 1 . 1 1 4 4 GLN C C 4 175.579 175.579 176.488 -0.909 25515 14 1 1 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.256 1.070 25515 15 1 1 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.521 -0.404 25515 16 1 1 . 1 1 4 4 GLN H H 4 8.404 8.404 8.301 0.103 25515 17 1 1 . 1 1 5 5 ARG N N 5 121.138 121.138 117.116 4.022 25515 18 1 1 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.106 0.058 25515 19 1 1 . 1 1 5 5 ARG C C 5 175.327 175.327 177.875 -2.548 25515 20 1 1 . 1 1 5 5 ARG CA C 5 56.776 56.776 57.948 -1.172 25515 21 1 1 . 1 1 5 5 ARG CB C 5 30.511 30.511 29.754 0.757 25515 22 1 1 . 1 1 5 5 ARG H H 5 8.281 8.281 8.683 -0.402 25515 23 1 1 . 1 1 6 6 GLN N N 6 120.348 120.348 120.375 -0.027 25515 24 1 1 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.383 -0.194 25515 25 1 1 . 1 1 6 6 GLN C C 6 175.838 175.838 175.859 -0.021 25515 26 1 1 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.360 0.848 25515 27 1 1 . 1 1 6 6 GLN CB C 6 29.131 29.131 27.283 1.848 25515 28 1 1 . 1 1 6 6 GLN H H 6 8.253 8.253 8.379 -0.126 25515 29 1 1 . 1 1 7 7 ARG N N 7 121.761 121.761 121.860 -0.099 25515 30 1 1 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.077 0.164 25515 31 1 1 . 1 1 7 7 ARG C C 7 175.708 175.708 177.657 -1.949 25515 32 1 1 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.285 -2.949 25515 33 1 1 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.847 0.924 25515 34 1 1 . 1 1 7 7 ARG H H 7 8.211 8.211 8.048 0.163 25515 35 1 1 . 1 1 8 8 SER N N 8 116.450 116.450 114.658 1.792 25515 36 1 1 . 1 1 8 8 SER HA H 8 4.384 4.384 4.244 0.140 25515 37 1 1 . 1 1 8 8 SER C C 8 177.569 177.569 176.429 1.140 25515 38 1 1 . 1 1 8 8 SER CA C 8 58.298 58.298 61.091 -2.793 25515 39 1 1 . 1 1 8 8 SER CB C 8 63.786 63.786 62.784 1.002 25515 40 1 1 . 1 1 8 8 SER H H 8 8.220 8.220 8.523 -0.303 25515 41 1 1 . 1 1 9 9 LEU N N 9 123.709 123.709 115.392 8.317 25515 42 1 1 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.559 -0.205 25515 43 1 1 . 1 1 9 9 LEU C C 9 174.915 174.915 177.993 -3.078 25515 44 1 1 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.381 -1.405 25515 45 1 1 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.561 1.117 25515 46 1 1 . 1 1 9 9 LEU H H 9 8.091 8.091 7.706 0.385 25515 47 1 1 . 1 1 10 10 SER N N 10 115.478 115.478 115.000 0.478 25515 48 1 1 . 1 1 10 10 SER HA H 10 4.561 4.561 4.351 0.210 25515 49 1 1 . 1 1 10 10 SER C C 10 177.096 177.096 175.210 1.886 25515 50 1 1 . 1 1 10 10 SER CA C 10 58.016 58.016 60.170 -2.154 25515 51 1 1 . 1 1 10 10 SER CB C 10 64.062 64.062 63.729 0.333 25515 52 1 1 . 1 1 10 10 SER H H 10 8.187 8.187 7.847 0.340 25515 53 1 1 . 1 1 11 11 THR N N 11 114.393 114.393 115.409 -1.016 25515 54 1 1 . 1 1 11 11 THR HA H 11 4.516 4.516 4.170 0.346 25515 55 1 1 . 1 1 11 11 THR C C 11 177.232 177.232 174.729 2.503 25515 56 1 1 . 1 1 11 11 THR CA C 11 61.740 61.740 62.231 -0.491 25515 57 1 1 . 1 1 11 11 THR CB C 11 69.478 69.478 69.611 -0.133 25515 58 1 1 . 1 1 11 11 THR H H 11 8.180 8.180 7.712 0.468 25515 59 1 1 . 1 1 12 12 SER N N 12 117.125 117.125 120.651 -3.526 25515 60 1 1 . 1 1 12 12 SER HA H 12 4.391 4.391 4.259 0.132 25515 61 1 1 . 1 1 12 12 SER C C 12 176.856 176.856 175.033 1.823 25515 62 1 1 . 1 1 12 12 SER CA C 12 58.537 58.537 59.431 -0.894 25515 63 1 1 . 1 1 12 12 SER CB C 12 63.915 63.915 62.708 1.207 25515 64 1 1 . 1 1 12 12 SER H H 12 8.171 8.171 8.448 -0.277 25515 65 1 1 . 1 1 13 13 GLY N N 13 111.544 111.544 107.274 4.270 25515 66 1 1 . 1 1 13 13 GLY C C 13 178.243 178.243 173.409 4.834 25515 67 1 1 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.262 0.218 25515 68 1 1 . 1 1 13 13 GLY H H 13 8.381 8.381 8.277 0.104 25515 69 1 1 . 1 1 14 14 GLU N N 14 119.223 119.223 119.368 -0.145 25515 70 1 1 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.643 -0.203 25515 71 1 1 . 1 1 14 14 GLU C C 14 174.876 174.876 175.650 -0.774 25515 72 1 1 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.488 0.936 25515 73 1 1 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.907 0.071 25515 74 1 1 . 1 1 14 14 GLU H H 14 8.149 8.149 7.974 0.175 25515 75 1 1 . 1 1 15 15 SER N N 15 117.752 117.752 117.973 -0.221 25515 76 1 1 . 1 1 15 15 SER H H 15 8.437 8.437 8.696 -0.259 25515 77 1 1 . 1 1 16 16 LEU N N 16 121.072 121.072 121.432 -0.360 25515 78 1 1 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.036 -0.175 25515 79 1 1 . 1 1 16 16 LEU C C 16 174.423 174.423 179.042 -4.619 25515 80 1 1 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.512 -0.087 25515 81 1 1 . 1 1 16 16 LEU CB C 16 41.676 41.676 40.987 0.689 25515 82 1 1 . 1 1 16 16 LEU H H 16 8.233 8.233 8.248 -0.015 25515 83 1 1 . 1 1 17 17 TYR N N 17 111.961 111.961 114.482 -2.521 25515 84 1 1 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.107 -0.445 25515 85 1 1 . 1 1 17 17 TYR C C 17 173.256 173.256 178.762 -5.506 25515 86 1 1 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.250 -0.384 25515 87 1 1 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.938 -0.531 25515 88 1 1 . 1 1 17 17 TYR H H 17 6.929 6.929 8.147 -1.218 25515 89 1 1 . 1 1 18 18 HIS N N 18 119.254 119.254 116.808 2.446 25515 90 1 1 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.722 -0.283 25515 91 1 1 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.071 0.843 25515 92 1 1 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.275 -0.660 25515 93 1 1 . 1 1 18 18 HIS H H 18 7.672 7.672 8.086 -0.414 25515 94 1 1 . 1 1 19 19 VAL N N 19 120.746 120.746 117.581 3.165 25515 95 1 1 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.909 -0.204 25515 96 1 1 . 1 1 19 19 VAL C C 19 175.643 175.643 176.584 -0.941 25515 97 1 1 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.357 0.176 25515 98 1 1 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.923 -0.458 25515 99 1 1 . 1 1 19 19 VAL H H 19 7.883 7.883 7.465 0.418 25515 100 1 1 . 1 1 20 20 LEU N N 20 114.576 114.576 116.721 -2.145 25515 101 1 1 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.480 -0.119 25515 102 1 1 . 1 1 20 20 LEU C C 20 175.746 175.746 176.555 -0.809 25515 103 1 1 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.253 -0.972 25515 104 1 1 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.210 0.690 25515 105 1 1 . 1 1 20 20 LEU H H 20 6.626 6.626 7.384 -0.758 25515 106 1 1 . 1 1 21 21 GLY N N 21 109.239 109.239 106.352 2.887 25515 107 1 1 . 1 1 21 21 GLY C C 21 177.637 177.637 173.853 3.784 25515 108 1 1 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.698 0.585 25515 109 1 1 . 1 1 21 21 GLY H H 21 7.991 7.991 7.452 0.539 25515 110 1 1 . 1 1 22 22 LEU N N 22 119.495 119.495 114.296 5.199 25515 111 1 1 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.995 -0.228 25515 112 1 1 . 1 1 22 22 LEU C C 22 177.306 177.306 174.976 2.330 25515 113 1 1 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.715 0.167 25515 114 1 1 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.623 2.284 25515 115 1 1 . 1 1 22 22 LEU H H 22 7.765 7.765 7.508 0.257 25515 116 1 1 . 1 1 23 23 ASP N N 23 118.518 118.518 118.538 -0.020 25515 117 1 1 . 1 1 23 23 ASP HA H 23 4.589 4.589 5.192 -0.603 25515 118 1 1 . 1 1 23 23 ASP C C 23 176.597 176.597 177.660 -1.063 25515 119 1 1 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.339 -1.308 25515 120 1 1 . 1 1 23 23 ASP CB C 23 43.481 43.481 43.243 0.238 25515 121 1 1 . 1 1 23 23 ASP H H 23 7.977 7.977 8.357 -0.380 25515 122 1 1 . 1 1 24 24 LYS N N 24 115.499 115.499 118.285 -2.786 25515 123 1 1 . 1 1 24 24 LYS HA H 24 2.152 2.152 2.785 -0.633 25515 124 1 1 . 1 1 24 24 LYS C C 24 176.231 176.231 176.340 -0.109 25515 125 1 1 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.774 -0.707 25515 126 1 1 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.388 0.974 25515 127 1 1 . 1 1 24 24 LYS H H 24 7.811 7.811 8.139 -0.328 25515 128 1 1 . 1 1 25 25 ASN N N 25 115.622 115.622 115.528 0.094 25515 129 1 1 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.828 -0.303 25515 130 1 1 . 1 1 25 25 ASN C C 25 176.698 176.698 174.650 2.048 25515 131 1 1 . 1 1 25 25 ASN CA C 25 52.873 52.873 53.226 -0.353 25515 132 1 1 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.550 -0.476 25515 133 1 1 . 1 1 25 25 ASN H H 25 7.817 7.817 7.986 -0.169 25515 134 1 1 . 1 1 26 26 ALA N N 26 122.970 122.970 122.604 0.366 25515 135 1 1 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.452 -0.093 25515 136 1 1 . 1 1 26 26 ALA C C 26 173.847 173.847 176.412 -2.565 25515 137 1 1 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.048 0.869 25515 138 1 1 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.288 0.679 25515 139 1 1 . 1 1 26 26 ALA H H 26 7.646 7.646 7.458 0.188 25515 140 1 1 . 1 1 27 27 THR N N 27 113.252 113.252 113.961 -0.709 25515 141 1 1 . 1 1 27 27 THR HA H 27 4.657 4.657 4.579 0.078 25515 142 1 1 . 1 1 27 27 THR C C 27 175.986 175.986 176.115 -0.129 25515 143 1 1 . 1 1 27 27 THR CA C 27 60.427 60.427 59.865 0.562 25515 144 1 1 . 1 1 27 27 THR CB C 27 71.702 71.702 71.638 0.064 25515 145 1 1 . 1 1 27 27 THR H H 27 9.089 9.089 8.894 0.195 25515 146 1 1 . 1 1 28 28 SER N N 28 115.961 115.961 117.838 -1.877 25515 147 1 1 . 1 1 28 28 SER HA H 28 3.930 3.930 4.034 -0.104 25515 148 1 1 . 1 1 28 28 SER C C 28 175.440 175.440 176.069 -0.629 25515 149 1 1 . 1 1 28 28 SER CA C 28 62.515 62.515 63.395 -0.880 25515 150 1 1 . 1 1 28 28 SER CB C 28 62.713 62.713 63.141 -0.428 25515 151 1 1 . 1 1 28 28 SER H H 28 9.095 9.095 8.787 0.308 25515 152 1 1 . 1 1 29 29 ASP N N 29 119.797 119.797 120.622 -0.825 25515 153 1 1 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.430 -0.027 25515 154 1 1 . 1 1 29 29 ASP C C 29 173.862 173.862 177.958 -4.096 25515 155 1 1 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.405 0.378 25515 156 1 1 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.872 0.179 25515 157 1 1 . 1 1 29 29 ASP H H 29 8.122 8.122 8.551 -0.429 25515 158 1 1 . 1 1 30 30 ASP N N 30 120.847 120.847 119.381 1.466 25515 159 1 1 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.491 -0.144 25515 160 1 1 . 1 1 30 30 ASP C C 30 172.627 172.627 178.875 -6.248 25515 161 1 1 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.434 0.254 25515 162 1 1 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.090 -0.108 25515 163 1 1 . 1 1 30 30 ASP H H 30 7.851 7.851 7.864 -0.013 25515 164 1 1 . 1 1 31 31 ILE N N 31 121.776 121.776 120.992 0.784 25515 165 1 1 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.648 -0.132 25515 166 1 1 . 1 1 31 31 ILE C C 31 174.709 174.709 177.903 -3.194 25515 167 1 1 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.662 -0.176 25515 168 1 1 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.805 0.436 25515 169 1 1 . 1 1 31 31 ILE H H 31 8.122 8.122 8.243 -0.121 25515 170 1 1 . 1 1 32 32 LYS N N 32 119.510 119.510 120.254 -0.744 25515 171 1 1 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.395 -0.318 25515 172 1 1 . 1 1 32 32 LYS C C 32 172.959 172.959 179.339 -6.380 25515 173 1 1 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.906 1.929 25515 174 1 1 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.069 0.435 25515 175 1 1 . 1 1 32 32 LYS H H 32 8.172 8.172 8.291 -0.119 25515 176 1 1 . 1 1 33 33 LYS N N 33 119.042 119.042 120.203 -1.161 25515 177 1 1 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.063 -0.095 25515 178 1 1 . 1 1 33 33 LYS C C 33 172.323 172.323 179.307 -6.984 25515 179 1 1 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.632 0.374 25515 180 1 1 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.261 0.452 25515 181 1 1 . 1 1 33 33 LYS H H 33 8.342 8.342 7.808 0.534 25515 182 1 1 . 1 1 34 34 SER N N 34 115.060 115.060 115.505 -0.445 25515 183 1 1 . 1 1 34 34 SER HA H 34 4.260 4.260 4.220 0.040 25515 184 1 1 . 1 1 34 34 SER C C 34 175.503 175.503 176.225 -0.722 25515 185 1 1 . 1 1 34 34 SER CA C 34 61.734 61.734 62.157 -0.423 25515 186 1 1 . 1 1 34 34 SER CB C 34 63.088 63.088 63.105 -0.017 25515 187 1 1 . 1 1 34 34 SER H H 34 8.161 8.161 8.291 -0.130 25515 188 1 1 . 1 1 35 35 TYR N N 35 119.241 119.241 123.222 -3.981 25515 189 1 1 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.137 -0.263 25515 190 1 1 . 1 1 35 35 TYR C C 35 176.352 176.352 176.978 -0.626 25515 191 1 1 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.398 0.471 25515 192 1 1 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.370 0.420 25515 193 1 1 . 1 1 35 35 TYR H H 35 8.499 8.499 7.899 0.600 25515 194 1 1 . 1 1 36 36 ARG N N 36 116.674 116.674 117.930 -1.256 25515 195 1 1 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.499 -0.046 25515 196 1 1 . 1 1 36 36 ARG C C 36 173.135 173.135 178.664 -5.529 25515 197 1 1 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.553 1.057 25515 198 1 1 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.296 0.583 25515 199 1 1 . 1 1 36 36 ARG H H 36 7.967 7.967 7.958 0.009 25515 200 1 1 . 1 1 37 37 LYS N N 37 116.974 116.974 119.050 -2.076 25515 201 1 1 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.995 -0.025 25515 202 1 1 . 1 1 37 37 LYS C C 37 172.489 172.489 179.678 -7.189 25515 203 1 1 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.376 0.001 25515 204 1 1 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.222 0.535 25515 205 1 1 . 1 1 37 37 LYS H H 37 7.275 7.275 8.116 -0.841 25515 206 1 1 . 1 1 38 38 LEU N N 38 120.978 120.978 118.774 2.204 25515 207 1 1 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.341 -0.318 25515 208 1 1 . 1 1 38 38 LEU C C 38 173.557 173.557 178.323 -4.766 25515 209 1 1 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.542 0.862 25515 210 1 1 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.230 0.138 25515 211 1 1 . 1 1 38 38 LEU H H 38 8.268 8.268 7.646 0.622 25515 212 1 1 . 1 1 39 39 ALA N N 39 122.700 122.700 123.101 -0.401 25515 213 1 1 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.977 -0.092 25515 214 1 1 . 1 1 39 39 ALA C C 39 172.721 172.721 178.927 -6.206 25515 215 1 1 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.394 0.046 25515 216 1 1 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.260 -1.310 25515 217 1 1 . 1 1 39 39 ALA H H 39 9.043 9.043 8.375 0.668 25515 218 1 1 . 1 1 40 40 LEU N N 40 114.462 114.462 113.909 0.553 25515 219 1 1 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.999 0.033 25515 220 1 1 . 1 1 40 40 LEU C C 40 173.110 173.110 179.133 -6.023 25515 221 1 1 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.584 0.725 25515 222 1 1 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.120 1.913 25515 223 1 1 . 1 1 40 40 LEU H H 40 6.862 6.862 7.429 -0.567 25515 224 1 1 . 1 1 41 41 LYS N N 41 118.126 118.126 121.553 -3.427 25515 225 1 1 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.788 0.054 25515 226 1 1 . 1 1 41 41 LYS C C 41 173.695 173.695 177.616 -3.921 25515 227 1 1 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.975 -0.233 25515 228 1 1 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.378 0.609 25515 229 1 1 . 1 1 41 41 LYS H H 41 7.135 7.135 7.722 -0.587 25515 230 1 1 . 1 1 42 42 TYR N N 42 113.902 113.902 114.680 -0.778 25515 231 1 1 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.549 -0.059 25515 232 1 1 . 1 1 42 42 TYR C C 42 178.884 178.884 174.638 4.246 25515 233 1 1 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.323 0.690 25515 234 1 1 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.625 -0.115 25515 235 1 1 . 1 1 42 42 TYR H H 42 7.756 7.756 8.027 -0.271 25515 236 1 1 . 1 1 43 43 HIS N N 43 120.909 120.909 122.560 -1.651 25515 237 1 1 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.013 -0.541 25515 238 1 1 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.050 0.849 25515 239 1 1 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.253 -0.128 25515 240 1 1 . 1 1 43 43 HIS H H 43 7.134 7.134 7.574 -0.440 25515 241 1 1 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.095 -0.097 25515 242 1 1 . 1 1 44 44 PRO C C 44 172.774 172.774 178.220 -5.446 25515 243 1 1 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.764 -0.159 25515 244 1 1 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.613 -0.003 25515 245 1 1 . 1 1 45 45 ASP N N 45 121.379 121.379 116.437 4.942 25515 246 1 1 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.429 -0.072 25515 247 1 1 . 1 1 45 45 ASP C C 45 173.968 173.968 176.985 -3.017 25515 248 1 1 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.475 1.296 25515 249 1 1 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.645 -0.522 25515 250 1 1 . 1 1 45 45 ASP H H 45 10.727 10.727 8.294 2.433 25515 251 1 1 . 1 1 46 46 LYS N N 46 115.902 115.902 117.439 -1.537 25515 252 1 1 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.311 0.047 25515 253 1 1 . 1 1 46 46 LYS C C 46 176.450 176.450 176.557 -0.107 25515 254 1 1 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.201 -1.427 25515 255 1 1 . 1 1 46 46 LYS CB C 46 33.189 33.189 31.985 1.204 25515 256 1 1 . 1 1 46 46 LYS H H 46 7.475 7.475 8.037 -0.562 25515 257 1 1 . 1 1 47 47 ASN N N 47 117.709 117.709 119.612 -1.903 25515 258 1 1 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.036 0.114 25515 259 1 1 . 1 1 47 47 ASN C C 47 170.657 170.657 173.845 -3.188 25515 260 1 1 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.374 0.166 25515 261 1 1 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.415 2.141 25515 262 1 1 . 1 1 47 47 ASN H H 47 7.410 7.410 7.418 -0.008 25515 263 1 1 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.655 -0.289 25515 264 1 1 . 1 1 48 48 PRO C C 48 174.739 174.739 176.221 -1.482 25515 265 1 1 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.108 2.003 25515 266 1 1 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.650 -1.126 25515 267 1 1 . 1 1 49 49 ASP N N 49 117.619 117.619 117.268 0.351 25515 268 1 1 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.489 -0.112 25515 269 1 1 . 1 1 49 49 ASP C C 49 177.335 177.335 176.062 1.273 25515 270 1 1 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.301 -0.716 25515 271 1 1 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.952 -0.698 25515 272 1 1 . 1 1 49 49 ASP H H 49 8.679 8.679 8.306 0.373 25515 273 1 1 . 1 1 50 50 ASN N N 50 114.537 114.537 118.345 -3.808 25515 274 1 1 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.718 0.482 25515 275 1 1 . 1 1 50 50 ASN C C 50 178.245 178.245 174.395 3.850 25515 276 1 1 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.267 -2.132 25515 277 1 1 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.611 0.965 25515 278 1 1 . 1 1 50 50 ASN H H 50 7.341 7.341 8.312 -0.971 25515 279 1 1 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.559 -0.195 25515 280 1 1 . 1 1 51 51 PRO C C 51 173.714 173.714 177.689 -3.975 25515 281 1 1 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.313 1.305 25515 282 1 1 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.931 0.170 25515 283 1 1 . 1 1 52 52 GLU N N 52 118.597 118.597 121.178 -2.581 25515 284 1 1 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.103 0.085 25515 285 1 1 . 1 1 52 52 GLU C C 52 173.216 173.216 177.811 -4.595 25515 286 1 1 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.110 -1.160 25515 287 1 1 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.357 -0.158 25515 288 1 1 . 1 1 52 52 GLU H H 52 8.048 8.048 8.792 -0.744 25515 289 1 1 . 1 1 53 53 ALA N N 53 122.149 122.149 121.086 1.063 25515 290 1 1 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.326 -0.352 25515 291 1 1 . 1 1 53 53 ALA C C 53 173.485 173.485 179.275 -5.790 25515 292 1 1 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.962 0.110 25515 293 1 1 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.221 -0.444 25515 294 1 1 . 1 1 53 53 ALA H H 53 7.606 7.606 7.901 -0.295 25515 295 1 1 . 1 1 54 54 ALA N N 54 119.475 119.475 121.354 -1.879 25515 296 1 1 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.218 0.009 25515 297 1 1 . 1 1 54 54 ALA C C 54 171.125 171.125 179.331 -8.206 25515 298 1 1 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.760 0.411 25515 299 1 1 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.410 -0.562 25515 300 1 1 . 1 1 54 54 ALA H H 54 7.680 7.680 8.174 -0.494 25515 301 1 1 . 1 1 55 55 ASP N N 55 120.134 120.134 119.276 0.858 25515 302 1 1 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.328 0.093 25515 303 1 1 . 1 1 55 55 ASP C C 55 173.088 173.088 178.842 -5.754 25515 304 1 1 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.939 -0.533 25515 305 1 1 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.688 -0.359 25515 306 1 1 . 1 1 55 55 ASP H H 55 7.983 7.983 8.598 -0.615 25515 307 1 1 . 1 1 56 56 LYS N N 56 120.915 120.915 120.121 0.794 25515 308 1 1 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.944 -0.034 25515 309 1 1 . 1 1 56 56 LYS C C 56 173.210 173.210 178.727 -5.517 25515 310 1 1 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.690 -0.209 25515 311 1 1 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.653 -0.745 25515 312 1 1 . 1 1 56 56 LYS H H 56 7.758 7.758 7.796 -0.038 25515 313 1 1 . 1 1 57 57 PHE N N 57 120.024 120.024 120.386 -0.362 25515 314 1 1 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.131 -0.126 25515 315 1 1 . 1 1 57 57 PHE C C 57 174.430 174.430 177.357 -2.927 25515 316 1 1 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.757 1.783 25515 317 1 1 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.579 0.509 25515 318 1 1 . 1 1 57 57 PHE H H 57 8.861 8.861 8.656 0.205 25515 319 1 1 . 1 1 58 58 LYS N N 58 119.306 119.306 119.862 -0.556 25515 320 1 1 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.652 0.301 25515 321 1 1 . 1 1 58 58 LYS C C 58 172.875 172.875 178.473 -5.598 25515 322 1 1 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.036 -0.175 25515 323 1 1 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.413 -0.104 25515 324 1 1 . 1 1 58 58 LYS H H 58 7.846 7.846 8.393 -0.547 25515 325 1 1 . 1 1 59 59 GLU N N 59 119.732 119.732 118.590 1.142 25515 326 1 1 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.096 -0.047 25515 327 1 1 . 1 1 59 59 GLU C C 59 171.935 171.935 179.091 -7.156 25515 328 1 1 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.052 0.421 25515 329 1 1 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.230 0.597 25515 330 1 1 . 1 1 59 59 GLU H H 59 7.732 7.732 8.009 -0.277 25515 331 1 1 . 1 1 60 60 ILE N N 60 119.074 119.074 121.662 -2.588 25515 332 1 1 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.698 -0.010 25515 333 1 1 . 1 1 60 60 ILE C C 60 174.424 174.424 178.308 -3.884 25515 334 1 1 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.102 -0.828 25515 335 1 1 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.870 0.577 25515 336 1 1 . 1 1 60 60 ILE H H 60 8.429 8.429 8.714 -0.285 25515 337 1 1 . 1 1 61 61 ASN N N 61 120.038 120.038 117.171 2.867 25515 338 1 1 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.411 -0.110 25515 339 1 1 . 1 1 61 61 ASN C C 61 174.271 174.271 177.411 -3.140 25515 340 1 1 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.728 0.828 25515 341 1 1 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.328 -0.045 25515 342 1 1 . 1 1 61 61 ASN H H 61 8.025 8.025 8.517 -0.492 25515 343 1 1 . 1 1 62 62 ASN N N 62 119.502 119.502 118.779 0.723 25515 344 1 1 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.511 -0.201 25515 345 1 1 . 1 1 62 62 ASN C C 62 176.042 176.042 177.034 -0.992 25515 346 1 1 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.289 0.259 25515 347 1 1 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.729 -0.008 25515 348 1 1 . 1 1 62 62 ASN H H 62 8.042 8.042 8.007 0.035 25515 349 1 1 . 1 1 63 63 ALA N N 63 119.769 119.769 122.917 -3.148 25515 350 1 1 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.729 -0.043 25515 351 1 1 . 1 1 63 63 ALA C C 63 173.564 173.564 178.692 -5.128 25515 352 1 1 . 1 1 63 63 ALA CA C 63 55.540 55.540 55.129 0.411 25515 353 1 1 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.199 0.307 25515 354 1 1 . 1 1 63 63 ALA H H 63 7.944 7.944 8.492 -0.548 25515 355 1 1 . 1 1 64 64 HIS N N 64 115.292 115.292 118.468 -3.176 25515 356 1 1 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.066 -0.539 25515 357 1 1 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.352 1.032 25515 358 1 1 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.636 0.299 25515 359 1 1 . 1 1 64 64 HIS H H 64 8.055 8.055 8.419 -0.364 25515 360 1 1 . 1 1 65 65 ALA N N 65 122.093 122.093 121.025 1.068 25515 361 1 1 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.848 -0.342 25515 362 1 1 . 1 1 65 65 ALA C C 65 172.454 172.454 179.120 -6.666 25515 363 1 1 . 1 1 65 65 ALA CA C 65 54.991 54.991 54.136 0.855 25515 364 1 1 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.385 -1.247 25515 365 1 1 . 1 1 65 65 ALA H H 65 7.944 7.944 7.582 0.362 25515 366 1 1 . 1 1 66 66 ILE N N 66 115.954 115.954 118.391 -2.437 25515 367 1 1 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.573 -0.115 25515 368 1 1 . 1 1 66 66 ILE C C 66 175.394 175.394 177.509 -2.115 25515 369 1 1 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.907 -0.299 25515 370 1 1 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.706 1.283 25515 371 1 1 . 1 1 66 66 ILE H H 66 7.358 7.358 7.929 -0.571 25515 372 1 1 . 1 1 67 67 LEU N N 67 111.268 111.268 114.945 -3.677 25515 373 1 1 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.870 -0.195 25515 374 1 1 . 1 1 67 67 LEU C C 67 174.490 174.490 179.269 -4.779 25515 375 1 1 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.478 0.089 25515 376 1 1 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.496 1.558 25515 377 1 1 . 1 1 67 67 LEU H H 67 7.743 7.743 7.615 0.128 25515 378 1 1 . 1 1 68 68 THR N N 68 103.399 103.399 111.749 -8.350 25515 379 1 1 . 1 1 68 68 THR HA H 68 4.023 4.023 4.181 -0.158 25515 380 1 1 . 1 1 68 68 THR C C 68 178.796 178.796 174.028 4.768 25515 381 1 1 . 1 1 68 68 THR CA C 68 61.672 61.672 62.904 -1.232 25515 382 1 1 . 1 1 68 68 THR CB C 68 69.052 69.052 69.129 -0.077 25515 383 1 1 . 1 1 68 68 THR H H 68 7.104 7.104 7.371 -0.267 25515 384 1 1 . 1 1 69 69 ASP N N 69 125.057 125.057 122.038 3.019 25515 385 1 1 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.637 0.064 25515 386 1 1 . 1 1 69 69 ASP C C 69 177.204 177.204 176.310 0.894 25515 387 1 1 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.239 -0.480 25515 388 1 1 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.892 -0.141 25515 389 1 1 . 1 1 69 69 ASP H H 69 7.076 7.076 7.632 -0.556 25515 390 1 1 . 1 1 70 70 ALA N N 70 128.178 128.178 129.916 -1.738 25515 391 1 1 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.069 -0.172 25515 392 1 1 . 1 1 70 70 ALA C C 70 171.909 171.909 179.029 -7.120 25515 393 1 1 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.901 0.925 25515 394 1 1 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.823 -0.349 25515 395 1 1 . 1 1 70 70 ALA H H 70 8.761 8.761 8.803 -0.042 25515 396 1 1 . 1 1 71 71 THR N N 71 113.629 113.629 115.639 -2.010 25515 397 1 1 . 1 1 71 71 THR HA H 71 3.981 3.981 4.065 -0.084 25515 398 1 1 . 1 1 71 71 THR C C 71 175.038 175.038 176.662 -1.624 25515 399 1 1 . 1 1 71 71 THR CA C 71 66.164 66.164 66.312 -0.148 25515 400 1 1 . 1 1 71 71 THR CB C 71 68.319 68.319 68.960 -0.641 25515 401 1 1 . 1 1 71 71 THR H H 71 7.957 7.957 8.100 -0.143 25515 402 1 1 . 1 1 72 72 LYS N N 72 122.501 122.501 120.998 1.503 25515 403 1 1 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.097 -0.287 25515 404 1 1 . 1 1 72 72 LYS C C 72 173.814 173.814 179.068 -5.254 25515 405 1 1 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.446 0.845 25515 406 1 1 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.106 0.700 25515 407 1 1 . 1 1 72 72 LYS H H 72 8.309 8.309 9.076 -0.767 25515 408 1 1 . 1 1 73 73 ARG N N 73 120.595 120.595 118.988 1.607 25515 409 1 1 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.093 -0.490 25515 410 1 1 . 1 1 73 73 ARG C C 73 174.477 174.477 177.871 -3.394 25515 411 1 1 . 1 1 73 73 ARG CA C 73 60.829 60.829 59.004 1.825 25515 412 1 1 . 1 1 73 73 ARG H H 73 9.258 9.258 8.013 1.245 25515 413 1 1 . 1 1 74 74 ASN N N 74 115.425 115.425 118.849 -3.424 25515 414 1 1 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.482 -0.051 25515 415 1 1 . 1 1 74 74 ASN C C 74 174.296 174.296 177.704 -3.408 25515 416 1 1 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.785 -0.075 25515 417 1 1 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.437 0.293 25515 418 1 1 . 1 1 74 74 ASN H H 74 7.534 7.534 7.771 -0.237 25515 419 1 1 . 1 1 75 75 ILE N N 75 119.020 119.020 118.485 0.535 25515 420 1 1 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.899 -0.266 25515 421 1 1 . 1 1 75 75 ILE C C 75 174.667 174.667 177.248 -2.581 25515 422 1 1 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.887 1.618 25515 423 1 1 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.415 1.810 25515 424 1 1 . 1 1 75 75 ILE H H 75 7.656 7.656 8.283 -0.627 25515 425 1 1 . 1 1 76 76 TYR N N 76 121.913 121.913 122.650 -0.737 25515 426 1 1 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.022 -0.007 25515 427 1 1 . 1 1 76 76 TYR C C 76 173.323 173.323 177.165 -3.842 25515 428 1 1 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.074 -0.527 25515 429 1 1 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.181 0.572 25515 430 1 1 . 1 1 76 76 TYR H H 76 8.894 8.894 7.818 1.076 25515 431 1 1 . 1 1 77 77 ASP N N 77 120.151 120.151 118.134 2.017 25515 432 1 1 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.194 0.143 25515 433 1 1 . 1 1 77 77 ASP C C 77 174.321 174.321 177.977 -3.656 25515 434 1 1 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.810 1.109 25515 435 1 1 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.140 -1.155 25515 436 1 1 . 1 1 77 77 ASP H H 77 9.151 9.151 8.061 1.090 25515 437 1 1 . 1 1 78 78 LYS N N 78 117.659 117.659 119.069 -1.410 25515 438 1 1 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.852 0.075 25515 439 1 1 . 1 1 78 78 LYS C C 78 174.237 174.237 177.470 -3.233 25515 440 1 1 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.430 -0.017 25515 441 1 1 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.644 0.998 25515 442 1 1 . 1 1 78 78 LYS H H 78 7.378 7.378 7.984 -0.606 25515 443 1 1 . 1 1 79 79 TYR N N 79 115.151 115.151 114.280 0.871 25515 444 1 1 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.614 0.007 25515 445 1 1 . 1 1 79 79 TYR C C 79 175.424 175.424 177.701 -2.277 25515 446 1 1 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.022 -2.449 25515 447 1 1 . 1 1 79 79 TYR H H 79 8.505 8.505 8.211 0.294 25515 448 1 1 . 1 1 80 80 GLY N N 80 110.813 110.813 107.844 2.969 25515 449 1 1 . 1 1 80 80 GLY C C 80 177.481 177.481 176.014 1.467 25515 450 1 1 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.974 -1.429 25515 451 1 1 . 1 1 80 80 GLY H H 80 8.222 8.222 8.620 -0.398 25515 452 1 1 . 1 1 81 81 SER N N 81 117.578 117.578 117.477 0.101 25515 453 1 1 . 1 1 81 81 SER C C 81 174.532 174.532 176.496 -1.964 25515 454 1 1 . 1 1 81 81 SER CA C 81 61.579 61.579 61.123 0.456 25515 455 1 1 . 1 1 81 81 SER H H 81 8.883 8.883 8.130 0.753 25515 456 1 1 . 1 1 82 82 LEU N N 82 123.998 123.998 121.278 2.720 25515 457 1 1 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.658 -0.387 25515 458 1 1 . 1 1 82 82 LEU C C 82 173.400 173.400 178.613 -5.213 25515 459 1 1 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.983 0.949 25515 460 1 1 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.669 -0.282 25515 461 1 1 . 1 1 82 82 LEU H H 82 8.920 8.920 8.035 0.885 25515 462 1 1 . 1 1 83 83 GLY N N 83 105.677 105.677 107.652 -1.975 25515 463 1 1 . 1 1 83 83 GLY C C 83 177.230 177.230 176.451 0.779 25515 464 1 1 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.723 -0.075 25515 465 1 1 . 1 1 83 83 GLY H H 83 7.565 7.565 8.752 -1.187 25515 466 1 1 . 1 1 84 84 LEU N N 84 119.542 119.542 122.331 -2.789 25515 467 1 1 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.205 -0.146 25515 468 1 1 . 1 1 84 84 LEU C C 84 173.036 173.036 177.919 -4.883 25515 469 1 1 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.359 0.074 25515 470 1 1 . 1 1 84 84 LEU H H 84 7.495 7.495 7.567 -0.072 25515 471 1 1 . 1 1 85 85 TYR N N 85 121.424 121.424 117.875 3.549 25515 472 1 1 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.229 0.029 25515 473 1 1 . 1 1 85 85 TYR CA C 85 60.970 60.970 61.011 -0.041 25515 474 1 1 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.800 0.508 25515 475 1 1 . 1 1 85 85 TYR H H 85 7.894 7.894 7.637 0.257 25515 476 1 1 . 1 1 86 86 VAL N N 86 120.088 120.088 119.576 0.512 25515 477 1 1 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.196 0.080 25515 478 1 1 . 1 1 86 86 VAL C C 86 174.300 174.300 177.343 -3.043 25515 479 1 1 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.153 2.156 25515 480 1 1 . 1 1 86 86 VAL CB C 86 31.674 31.674 30.871 0.803 25515 481 1 1 . 1 1 86 86 VAL H H 86 8.402 8.402 8.189 0.213 25515 482 1 1 . 1 1 87 87 ALA N N 87 121.800 121.800 122.516 -0.716 25515 483 1 1 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.154 -0.417 25515 484 1 1 . 1 1 87 87 ALA C C 87 172.312 172.312 179.173 -6.861 25515 485 1 1 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.985 -0.542 25515 486 1 1 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.353 0.048 25515 487 1 1 . 1 1 87 87 ALA H H 87 8.317 8.317 7.739 0.578 25515 488 1 1 . 1 1 88 88 GLU N N 88 118.012 118.012 117.950 0.062 25515 489 1 1 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.077 -0.202 25515 490 1 1 . 1 1 88 88 GLU C C 88 174.071 174.071 178.951 -4.880 25515 491 1 1 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.703 0.063 25515 492 1 1 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.620 -0.071 25515 493 1 1 . 1 1 88 88 GLU H H 88 7.777 7.777 7.620 0.157 25515 494 1 1 . 1 1 89 89 GLN N N 89 116.164 116.164 117.171 -1.007 25515 495 1 1 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.100 -0.389 25515 496 1 1 . 1 1 89 89 GLN C C 89 174.572 174.572 177.574 -3.002 25515 497 1 1 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.766 -0.721 25515 498 1 1 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.137 -0.473 25515 499 1 1 . 1 1 89 89 GLN H H 89 7.704 7.704 7.833 -0.129 25515 500 1 1 . 1 1 90 90 PHE N N 90 114.734 114.734 116.680 -1.946 25515 501 1 1 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.473 0.237 25515 502 1 1 . 1 1 90 90 PHE C C 90 175.715 175.715 175.896 -0.181 25515 503 1 1 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.246 -1.841 25515 504 1 1 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.267 -0.064 25515 505 1 1 . 1 1 90 90 PHE H H 90 8.241 8.241 8.442 -0.201 25515 506 1 1 . 1 1 91 91 GLY N N 91 111.234 111.234 106.846 4.388 25515 507 1 1 . 1 1 91 91 GLY C C 91 176.788 176.788 174.275 2.513 25515 508 1 1 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.750 0.420 25515 509 1 1 . 1 1 91 91 GLY H H 91 7.668 7.668 7.443 0.225 25515 510 1 1 . 1 1 92 92 GLU N N 92 123.392 123.392 124.173 -0.781 25515 511 1 1 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.877 -0.035 25515 512 1 1 . 1 1 92 92 GLU C C 92 174.798 174.798 177.849 -3.051 25515 513 1 1 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.988 -0.730 25515 514 1 1 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.733 -0.115 25515 515 1 1 . 1 1 92 92 GLU H H 92 8.793 8.793 8.800 -0.007 25515 516 1 1 . 1 1 93 93 GLU N N 93 118.621 118.621 117.434 1.187 25515 517 1 1 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.142 0.043 25515 518 1 1 . 1 1 93 93 GLU C C 93 175.143 175.143 178.062 -2.919 25515 519 1 1 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.091 -0.206 25515 520 1 1 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.087 -0.020 25515 521 1 1 . 1 1 93 93 GLU H H 93 9.356 9.356 8.804 0.552 25515 522 1 1 . 1 1 94 94 ASN N N 94 116.563 116.563 118.944 -2.381 25515 523 1 1 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.707 0.204 25515 524 1 1 . 1 1 94 94 ASN C C 94 176.192 176.192 177.581 -1.389 25515 525 1 1 . 1 1 94 94 ASN CA C 94 53.311 53.311 55.901 -2.590 25515 526 1 1 . 1 1 94 94 ASN CB C 94 39.744 39.744 38.725 1.019 25515 527 1 1 . 1 1 94 94 ASN H H 94 7.881 7.881 7.512 0.369 25515 528 1 1 . 1 1 95 95 VAL N N 95 119.858 119.858 118.816 1.042 25515 529 1 1 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.572 0.168 25515 530 1 1 . 1 1 95 95 VAL C C 95 175.715 175.715 176.835 -1.120 25515 531 1 1 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.748 -1.250 25515 532 1 1 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.202 0.764 25515 533 1 1 . 1 1 95 95 VAL H H 95 7.405 7.405 8.660 -1.255 25515 534 1 1 . 1 1 96 96 ASN N N 96 116.409 116.409 117.211 -0.802 25515 535 1 1 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.550 -0.092 25515 536 1 1 . 1 1 96 96 ASN C C 96 175.322 175.322 176.751 -1.429 25515 537 1 1 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.623 0.095 25515 538 1 1 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.405 -0.189 25515 539 1 1 . 1 1 96 96 ASN H H 96 8.356 8.356 7.958 0.398 25515 540 1 1 . 1 1 97 97 THR N N 97 111.266 111.266 114.239 -2.973 25515 541 1 1 . 1 1 97 97 THR HA H 97 3.993 3.993 4.134 -0.141 25515 542 1 1 . 1 1 97 97 THR C C 97 177.418 177.418 175.362 2.056 25515 543 1 1 . 1 1 97 97 THR CA C 97 63.604 63.604 65.154 -1.550 25515 544 1 1 . 1 1 97 97 THR CB C 97 69.162 69.162 69.043 0.119 25515 545 1 1 . 1 1 97 97 THR H H 97 7.575 7.575 8.369 -0.794 25515 546 1 1 . 1 1 98 98 TYR N N 98 119.963 119.963 119.494 0.469 25515 547 1 1 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.303 0.019 25515 548 1 1 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.168 -0.970 25515 549 1 1 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.250 -0.006 25515 550 1 1 . 1 1 98 98 TYR H H 98 7.480 7.480 7.759 -0.279 25515 551 1 1 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.430 0.130 25515 552 1 1 . 1 1 99 99 PHE C C 99 177.317 177.317 175.778 1.539 25515 553 1 1 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.660 -0.667 25515 554 1 1 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.130 0.512 25515 555 1 2 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.298 -0.007 25515 556 1 2 . 1 1 2 2 ALA C C 2 175.019 175.019 177.208 -2.189 25515 557 1 2 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.819 0.752 25515 558 1 2 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.374 -0.255 25515 559 1 2 . 1 1 3 3 ASP N N 3 120.192 120.192 122.624 -2.432 25515 560 1 2 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.493 -0.008 25515 561 1 2 . 1 1 3 3 ASP C C 3 175.549 175.549 175.948 -0.399 25515 562 1 2 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.695 -0.443 25515 563 1 2 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.526 -0.294 25515 564 1 2 . 1 1 3 3 ASP H H 3 8.336 8.336 8.369 -0.033 25515 565 1 2 . 1 1 4 4 GLN N N 4 121.286 121.286 123.129 -1.843 25515 566 1 2 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.383 -0.181 25515 567 1 2 . 1 1 4 4 GLN C C 4 175.579 175.579 176.004 -0.425 25515 568 1 2 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.581 0.745 25515 569 1 2 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.877 -0.760 25515 570 1 2 . 1 1 4 4 GLN H H 4 8.404 8.404 8.415 -0.011 25515 571 1 2 . 1 1 5 5 ARG N N 5 121.138 121.138 119.038 2.100 25515 572 1 2 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.085 0.079 25515 573 1 2 . 1 1 5 5 ARG C C 5 175.327 175.327 176.874 -1.547 25515 574 1 2 . 1 1 5 5 ARG CA C 5 56.776 56.776 57.996 -1.220 25515 575 1 2 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.589 -0.078 25515 576 1 2 . 1 1 5 5 ARG H H 5 8.281 8.281 8.532 -0.251 25515 577 1 2 . 1 1 6 6 GLN N N 6 120.348 120.348 116.525 3.823 25515 578 1 2 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.468 -0.279 25515 579 1 2 . 1 1 6 6 GLN C C 6 175.838 175.838 175.955 -0.117 25515 580 1 2 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.018 1.190 25515 581 1 2 . 1 1 6 6 GLN CB C 6 29.131 29.131 30.862 -1.731 25515 582 1 2 . 1 1 6 6 GLN H H 6 8.253 8.253 8.067 0.186 25515 583 1 2 . 1 1 7 7 ARG N N 7 121.761 121.761 123.097 -1.336 25515 584 1 2 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.089 0.152 25515 585 1 2 . 1 1 7 7 ARG C C 7 175.708 175.708 177.856 -2.148 25515 586 1 2 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.843 -2.507 25515 587 1 2 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.917 0.854 25515 588 1 2 . 1 1 7 7 ARG H H 7 8.211 8.211 8.842 -0.631 25515 589 1 2 . 1 1 8 8 SER N N 8 116.450 116.450 113.600 2.850 25515 590 1 2 . 1 1 8 8 SER HA H 8 4.384 4.384 4.594 -0.210 25515 591 1 2 . 1 1 8 8 SER C C 8 177.569 177.569 175.519 2.050 25515 592 1 2 . 1 1 8 8 SER CA C 8 58.298 58.298 60.584 -2.286 25515 593 1 2 . 1 1 8 8 SER CB C 8 63.786 63.786 62.561 1.225 25515 594 1 2 . 1 1 8 8 SER H H 8 8.220 8.220 8.382 -0.162 25515 595 1 2 . 1 1 9 9 LEU N N 9 123.709 123.709 115.428 8.281 25515 596 1 2 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.337 0.017 25515 597 1 2 . 1 1 9 9 LEU C C 9 174.915 174.915 177.386 -2.471 25515 598 1 2 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.988 -1.012 25515 599 1 2 . 1 1 9 9 LEU CB C 9 42.678 42.678 40.983 1.695 25515 600 1 2 . 1 1 9 9 LEU H H 9 8.091 8.091 7.838 0.253 25515 601 1 2 . 1 1 10 10 SER N N 10 115.478 115.478 114.341 1.137 25515 602 1 2 . 1 1 10 10 SER HA H 10 4.561 4.561 4.466 0.095 25515 603 1 2 . 1 1 10 10 SER C C 10 177.096 177.096 174.770 2.326 25515 604 1 2 . 1 1 10 10 SER CA C 10 58.016 58.016 60.014 -1.998 25515 605 1 2 . 1 1 10 10 SER CB C 10 64.062 64.062 64.801 -0.739 25515 606 1 2 . 1 1 10 10 SER H H 10 8.187 8.187 7.571 0.616 25515 607 1 2 . 1 1 11 11 THR N N 11 114.393 114.393 114.390 0.003 25515 608 1 2 . 1 1 11 11 THR HA H 11 4.516 4.516 4.563 -0.047 25515 609 1 2 . 1 1 11 11 THR C C 11 177.232 177.232 174.476 2.756 25515 610 1 2 . 1 1 11 11 THR CA C 11 61.740 61.740 60.675 1.065 25515 611 1 2 . 1 1 11 11 THR CB C 11 69.478 69.478 70.896 -1.418 25515 612 1 2 . 1 1 11 11 THR H H 11 8.180 8.180 8.146 0.034 25515 613 1 2 . 1 1 12 12 SER N N 12 117.125 117.125 121.147 -4.022 25515 614 1 2 . 1 1 12 12 SER HA H 12 4.391 4.391 4.579 -0.188 25515 615 1 2 . 1 1 12 12 SER C C 12 176.856 176.856 175.760 1.096 25515 616 1 2 . 1 1 12 12 SER CA C 12 58.537 58.537 59.797 -1.260 25515 617 1 2 . 1 1 12 12 SER CB C 12 63.915 63.915 63.531 0.384 25515 618 1 2 . 1 1 12 12 SER H H 12 8.171 8.171 8.926 -0.755 25515 619 1 2 . 1 1 13 13 GLY N N 13 111.544 111.544 107.420 4.124 25515 620 1 2 . 1 1 13 13 GLY C C 13 178.243 178.243 173.529 4.714 25515 621 1 2 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.133 0.346 25515 622 1 2 . 1 1 13 13 GLY H H 13 8.381 8.381 8.432 -0.051 25515 623 1 2 . 1 1 14 14 GLU N N 14 119.223 119.223 120.929 -1.706 25515 624 1 2 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.742 -0.302 25515 625 1 2 . 1 1 14 14 GLU C C 14 174.876 174.876 175.271 -0.395 25515 626 1 2 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.695 0.729 25515 627 1 2 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.770 0.208 25515 628 1 2 . 1 1 14 14 GLU H H 14 8.149 8.149 7.926 0.223 25515 629 1 2 . 1 1 15 15 SER N N 15 117.752 117.752 118.346 -0.594 25515 630 1 2 . 1 1 15 15 SER H H 15 8.437 8.437 8.739 -0.302 25515 631 1 2 . 1 1 16 16 LEU N N 16 121.072 121.072 122.867 -1.795 25515 632 1 2 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.044 -0.183 25515 633 1 2 . 1 1 16 16 LEU C C 16 174.423 174.423 178.957 -4.534 25515 634 1 2 . 1 1 16 16 LEU CA C 16 57.425 57.425 58.045 -0.620 25515 635 1 2 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.197 0.479 25515 636 1 2 . 1 1 16 16 LEU H H 16 8.233 8.233 8.409 -0.176 25515 637 1 2 . 1 1 17 17 TYR N N 17 111.961 111.961 114.480 -2.519 25515 638 1 2 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.103 -0.441 25515 639 1 2 . 1 1 17 17 TYR C C 17 173.256 173.256 178.246 -4.990 25515 640 1 2 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.237 -0.371 25515 641 1 2 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.751 -0.344 25515 642 1 2 . 1 1 17 17 TYR H H 17 6.929 6.929 8.078 -1.149 25515 643 1 2 . 1 1 18 18 HIS N N 18 119.254 119.254 118.648 0.606 25515 644 1 2 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.393 0.046 25515 645 1 2 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.277 -0.363 25515 646 1 2 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.569 -0.954 25515 647 1 2 . 1 1 18 18 HIS H H 18 7.672 7.672 7.669 0.003 25515 648 1 2 . 1 1 19 19 VAL N N 19 120.746 120.746 118.148 2.598 25515 649 1 2 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.862 -0.157 25515 650 1 2 . 1 1 19 19 VAL C C 19 175.643 175.643 176.764 -1.121 25515 651 1 2 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.197 0.336 25515 652 1 2 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.524 -0.059 25515 653 1 2 . 1 1 19 19 VAL H H 19 7.883 7.883 7.826 0.057 25515 654 1 2 . 1 1 20 20 LEU N N 20 114.576 114.576 116.102 -1.526 25515 655 1 2 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.420 -0.059 25515 656 1 2 . 1 1 20 20 LEU C C 20 175.746 175.746 176.656 -0.910 25515 657 1 2 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.208 -0.927 25515 658 1 2 . 1 1 20 20 LEU CB C 20 42.900 42.900 41.926 0.974 25515 659 1 2 . 1 1 20 20 LEU H H 20 6.626 6.626 7.297 -0.671 25515 660 1 2 . 1 1 21 21 GLY N N 21 109.239 109.239 106.531 2.708 25515 661 1 2 . 1 1 21 21 GLY C C 21 177.637 177.637 174.752 2.885 25515 662 1 2 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.816 0.467 25515 663 1 2 . 1 1 21 21 GLY H H 21 7.991 7.991 7.524 0.467 25515 664 1 2 . 1 1 22 22 LEU N N 22 119.495 119.495 116.729 2.766 25515 665 1 2 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.992 -0.225 25515 666 1 2 . 1 1 22 22 LEU C C 22 177.306 177.306 175.023 2.283 25515 667 1 2 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.230 -0.348 25515 668 1 2 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.301 2.606 25515 669 1 2 . 1 1 22 22 LEU H H 22 7.765 7.765 7.494 0.271 25515 670 1 2 . 1 1 23 23 ASP N N 23 118.518 118.518 116.956 1.562 25515 671 1 2 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.823 -0.234 25515 672 1 2 . 1 1 23 23 ASP C C 23 176.597 176.597 177.279 -0.682 25515 673 1 2 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.491 -0.460 25515 674 1 2 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.464 1.017 25515 675 1 2 . 1 1 23 23 ASP H H 23 7.977 7.977 8.280 -0.303 25515 676 1 2 . 1 1 24 24 LYS N N 24 115.499 115.499 116.128 -0.629 25515 677 1 2 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.490 -1.338 25515 678 1 2 . 1 1 24 24 LYS C C 24 176.231 176.231 175.828 0.403 25515 679 1 2 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.291 -0.224 25515 680 1 2 . 1 1 24 24 LYS CB C 24 32.362 32.362 30.850 1.512 25515 681 1 2 . 1 1 24 24 LYS H H 24 7.811 7.811 8.410 -0.599 25515 682 1 2 . 1 1 25 25 ASN N N 25 115.622 115.622 117.176 -1.554 25515 683 1 2 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.826 -0.301 25515 684 1 2 . 1 1 25 25 ASN C C 25 176.698 176.698 175.031 1.667 25515 685 1 2 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.786 0.087 25515 686 1 2 . 1 1 25 25 ASN CB C 25 38.074 38.074 40.068 -1.994 25515 687 1 2 . 1 1 25 25 ASN H H 25 7.817 7.817 8.123 -0.306 25515 688 1 2 . 1 1 26 26 ALA N N 26 122.970 122.970 124.037 -1.067 25515 689 1 2 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.444 -0.085 25515 690 1 2 . 1 1 26 26 ALA C C 26 173.847 173.847 176.466 -2.619 25515 691 1 2 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.596 0.321 25515 692 1 2 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.903 1.064 25515 693 1 2 . 1 1 26 26 ALA H H 26 7.646 7.646 7.487 0.159 25515 694 1 2 . 1 1 27 27 THR N N 27 113.252 113.252 113.637 -0.385 25515 695 1 2 . 1 1 27 27 THR HA H 27 4.657 4.657 4.621 0.036 25515 696 1 2 . 1 1 27 27 THR C C 27 175.986 175.986 176.210 -0.224 25515 697 1 2 . 1 1 27 27 THR CA C 27 60.427 60.427 59.879 0.548 25515 698 1 2 . 1 1 27 27 THR CB C 27 71.702 71.702 71.531 0.171 25515 699 1 2 . 1 1 27 27 THR H H 27 9.089 9.089 8.284 0.805 25515 700 1 2 . 1 1 28 28 SER N N 28 115.961 115.961 117.816 -1.855 25515 701 1 2 . 1 1 28 28 SER HA H 28 3.930 3.930 4.011 -0.081 25515 702 1 2 . 1 1 28 28 SER C C 28 175.440 175.440 176.098 -0.658 25515 703 1 2 . 1 1 28 28 SER CA C 28 62.515 62.515 62.195 0.320 25515 704 1 2 . 1 1 28 28 SER CB C 28 62.713 62.713 62.957 -0.244 25515 705 1 2 . 1 1 28 28 SER H H 28 9.095 9.095 8.792 0.303 25515 706 1 2 . 1 1 29 29 ASP N N 29 119.797 119.797 121.322 -1.525 25515 707 1 2 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.395 0.008 25515 708 1 2 . 1 1 29 29 ASP C C 29 173.862 173.862 177.945 -4.083 25515 709 1 2 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.304 0.479 25515 710 1 2 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.835 0.216 25515 711 1 2 . 1 1 29 29 ASP H H 29 8.122 8.122 8.428 -0.306 25515 712 1 2 . 1 1 30 30 ASP N N 30 120.847 120.847 119.571 1.276 25515 713 1 2 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.502 -0.155 25515 714 1 2 . 1 1 30 30 ASP C C 30 172.627 172.627 179.010 -6.383 25515 715 1 2 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.262 0.427 25515 716 1 2 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.953 0.029 25515 717 1 2 . 1 1 30 30 ASP H H 30 7.851 7.851 7.741 0.110 25515 718 1 2 . 1 1 31 31 ILE N N 31 121.776 121.776 120.988 0.788 25515 719 1 2 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.678 -0.162 25515 720 1 2 . 1 1 31 31 ILE C C 31 174.709 174.709 178.107 -3.398 25515 721 1 2 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.293 0.193 25515 722 1 2 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.824 0.417 25515 723 1 2 . 1 1 31 31 ILE H H 31 8.122 8.122 8.315 -0.193 25515 724 1 2 . 1 1 32 32 LYS N N 32 119.510 119.510 120.193 -0.683 25515 725 1 2 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.346 -0.269 25515 726 1 2 . 1 1 32 32 LYS C C 32 172.959 172.959 179.282 -6.323 25515 727 1 2 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.316 2.519 25515 728 1 2 . 1 1 32 32 LYS CB C 32 32.504 32.504 31.950 0.554 25515 729 1 2 . 1 1 32 32 LYS H H 32 8.172 8.172 8.118 0.054 25515 730 1 2 . 1 1 33 33 LYS N N 33 119.042 119.042 120.613 -1.571 25515 731 1 2 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.035 -0.067 25515 732 1 2 . 1 1 33 33 LYS C C 33 172.323 172.323 179.309 -6.986 25515 733 1 2 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.762 0.244 25515 734 1 2 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.237 0.476 25515 735 1 2 . 1 1 33 33 LYS H H 33 8.342 8.342 7.949 0.393 25515 736 1 2 . 1 1 34 34 SER N N 34 115.060 115.060 115.376 -0.316 25515 737 1 2 . 1 1 34 34 SER HA H 34 4.260 4.260 4.201 0.059 25515 738 1 2 . 1 1 34 34 SER C C 34 175.503 175.503 176.192 -0.689 25515 739 1 2 . 1 1 34 34 SER CA C 34 61.734 61.734 62.239 -0.504 25515 740 1 2 . 1 1 34 34 SER CB C 34 63.088 63.088 63.131 -0.043 25515 741 1 2 . 1 1 34 34 SER H H 34 8.161 8.161 8.481 -0.320 25515 742 1 2 . 1 1 35 35 TYR N N 35 119.241 119.241 123.223 -3.982 25515 743 1 2 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.155 -0.281 25515 744 1 2 . 1 1 35 35 TYR C C 35 176.352 176.352 177.015 -0.663 25515 745 1 2 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.578 0.291 25515 746 1 2 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.522 0.268 25515 747 1 2 . 1 1 35 35 TYR H H 35 8.499 8.499 7.702 0.797 25515 748 1 2 . 1 1 36 36 ARG N N 36 116.674 116.674 117.966 -1.292 25515 749 1 2 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.595 -0.142 25515 750 1 2 . 1 1 36 36 ARG C C 36 173.135 173.135 178.701 -5.566 25515 751 1 2 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.657 0.953 25515 752 1 2 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.260 0.619 25515 753 1 2 . 1 1 36 36 ARG H H 36 7.967 7.967 8.162 -0.195 25515 754 1 2 . 1 1 37 37 LYS N N 37 116.974 116.974 118.875 -1.901 25515 755 1 2 . 1 1 37 37 LYS HA H 37 3.970 3.970 4.001 -0.031 25515 756 1 2 . 1 1 37 37 LYS C C 37 172.489 172.489 179.664 -7.175 25515 757 1 2 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.337 0.040 25515 758 1 2 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.237 0.520 25515 759 1 2 . 1 1 37 37 LYS H H 37 7.275 7.275 8.186 -0.911 25515 760 1 2 . 1 1 38 38 LEU N N 38 120.978 120.978 118.721 2.257 25515 761 1 2 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.331 -0.308 25515 762 1 2 . 1 1 38 38 LEU C C 38 173.557 173.557 178.310 -4.753 25515 763 1 2 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.558 0.846 25515 764 1 2 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.263 0.105 25515 765 1 2 . 1 1 38 38 LEU H H 38 8.268 8.268 7.627 0.641 25515 766 1 2 . 1 1 39 39 ALA N N 39 122.700 122.700 123.012 -0.312 25515 767 1 2 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.819 0.066 25515 768 1 2 . 1 1 39 39 ALA C C 39 172.721 172.721 178.884 -6.163 25515 769 1 2 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.287 0.153 25515 770 1 2 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.167 -1.217 25515 771 1 2 . 1 1 39 39 ALA H H 39 9.043 9.043 8.389 0.654 25515 772 1 2 . 1 1 40 40 LEU N N 40 114.462 114.462 113.813 0.649 25515 773 1 2 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.975 0.057 25515 774 1 2 . 1 1 40 40 LEU C C 40 173.110 173.110 179.140 -6.030 25515 775 1 2 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.574 0.735 25515 776 1 2 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.128 1.906 25515 777 1 2 . 1 1 40 40 LEU H H 40 6.862 6.862 7.433 -0.571 25515 778 1 2 . 1 1 41 41 LYS N N 41 118.126 118.126 121.893 -3.767 25515 779 1 2 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.840 0.002 25515 780 1 2 . 1 1 41 41 LYS C C 41 173.695 173.695 177.521 -3.826 25515 781 1 2 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.965 -0.223 25515 782 1 2 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.470 0.517 25515 783 1 2 . 1 1 41 41 LYS H H 41 7.135 7.135 7.680 -0.545 25515 784 1 2 . 1 1 42 42 TYR N N 42 113.902 113.902 114.653 -0.751 25515 785 1 2 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.634 -0.144 25515 786 1 2 . 1 1 42 42 TYR C C 42 178.884 178.884 174.152 4.732 25515 787 1 2 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.807 1.206 25515 788 1 2 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.050 0.460 25515 789 1 2 . 1 1 42 42 TYR H H 42 7.756 7.756 8.053 -0.297 25515 790 1 2 . 1 1 43 43 HIS N N 43 120.909 120.909 122.138 -1.229 25515 791 1 2 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.163 -0.691 25515 792 1 2 . 1 1 43 43 HIS CA C 43 56.899 56.899 55.879 1.020 25515 793 1 2 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.304 -0.179 25515 794 1 2 . 1 1 43 43 HIS H H 43 7.134 7.134 7.568 -0.434 25515 795 1 2 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.077 -0.079 25515 796 1 2 . 1 1 44 44 PRO C C 44 172.774 172.774 178.407 -5.633 25515 797 1 2 . 1 1 44 44 PRO CA C 44 65.605 65.605 66.044 -0.439 25515 798 1 2 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.635 -0.025 25515 799 1 2 . 1 1 45 45 ASP N N 45 121.379 121.379 115.583 5.796 25515 800 1 2 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.438 -0.081 25515 801 1 2 . 1 1 45 45 ASP C C 45 173.968 173.968 177.155 -3.187 25515 802 1 2 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.461 1.310 25515 803 1 2 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.603 -0.480 25515 804 1 2 . 1 1 45 45 ASP H H 45 10.727 10.727 8.520 2.207 25515 805 1 2 . 1 1 46 46 LYS N N 46 115.902 115.902 117.581 -1.679 25515 806 1 2 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.192 0.166 25515 807 1 2 . 1 1 46 46 LYS C C 46 176.450 176.450 176.562 -0.112 25515 808 1 2 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.275 -1.501 25515 809 1 2 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.273 0.916 25515 810 1 2 . 1 1 46 46 LYS H H 46 7.475 7.475 8.115 -0.640 25515 811 1 2 . 1 1 47 47 ASN N N 47 117.709 117.709 119.553 -1.844 25515 812 1 2 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.092 0.058 25515 813 1 2 . 1 1 47 47 ASN C C 47 170.657 170.657 173.357 -2.700 25515 814 1 2 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.453 0.087 25515 815 1 2 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.364 2.192 25515 816 1 2 . 1 1 47 47 ASN H H 47 7.410 7.410 7.459 -0.049 25515 817 1 2 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.683 -0.317 25515 818 1 2 . 1 1 48 48 PRO C C 48 174.739 174.739 176.256 -1.517 25515 819 1 2 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.068 2.044 25515 820 1 2 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.684 -1.161 25515 821 1 2 . 1 1 49 49 ASP N N 49 117.619 117.619 117.420 0.199 25515 822 1 2 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.484 -0.107 25515 823 1 2 . 1 1 49 49 ASP C C 49 177.335 177.335 176.191 1.144 25515 824 1 2 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.309 -0.724 25515 825 1 2 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.990 -0.737 25515 826 1 2 . 1 1 49 49 ASP H H 49 8.679 8.679 8.292 0.387 25515 827 1 2 . 1 1 50 50 ASN N N 50 114.537 114.537 118.223 -3.686 25515 828 1 2 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.746 0.454 25515 829 1 2 . 1 1 50 50 ASN C C 50 178.245 178.245 174.365 3.880 25515 830 1 2 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.081 -1.946 25515 831 1 2 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.661 0.915 25515 832 1 2 . 1 1 50 50 ASN H H 50 7.341 7.341 8.296 -0.955 25515 833 1 2 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.551 -0.187 25515 834 1 2 . 1 1 51 51 PRO C C 51 173.714 173.714 177.678 -3.964 25515 835 1 2 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.324 1.294 25515 836 1 2 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.936 0.165 25515 837 1 2 . 1 1 52 52 GLU N N 52 118.597 118.597 121.217 -2.620 25515 838 1 2 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.113 0.075 25515 839 1 2 . 1 1 52 52 GLU C C 52 173.216 173.216 177.742 -4.526 25515 840 1 2 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.012 -1.062 25515 841 1 2 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.358 -0.159 25515 842 1 2 . 1 1 52 52 GLU H H 52 8.048 8.048 8.776 -0.728 25515 843 1 2 . 1 1 53 53 ALA N N 53 122.149 122.149 121.131 1.018 25515 844 1 2 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.330 -0.356 25515 845 1 2 . 1 1 53 53 ALA C C 53 173.485 173.485 179.354 -5.869 25515 846 1 2 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.002 0.069 25515 847 1 2 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.192 -0.415 25515 848 1 2 . 1 1 53 53 ALA H H 53 7.606 7.606 7.843 -0.237 25515 849 1 2 . 1 1 54 54 ALA N N 54 119.475 119.475 120.956 -1.481 25515 850 1 2 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.171 0.056 25515 851 1 2 . 1 1 54 54 ALA C C 54 171.125 171.125 179.165 -8.040 25515 852 1 2 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.692 0.479 25515 853 1 2 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.432 -0.585 25515 854 1 2 . 1 1 54 54 ALA H H 54 7.680 7.680 8.088 -0.408 25515 855 1 2 . 1 1 55 55 ASP N N 55 120.134 120.134 119.527 0.607 25515 856 1 2 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.329 0.092 25515 857 1 2 . 1 1 55 55 ASP C C 55 173.088 173.088 178.620 -5.532 25515 858 1 2 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.770 -0.364 25515 859 1 2 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.873 -0.545 25515 860 1 2 . 1 1 55 55 ASP H H 55 7.983 7.983 8.205 -0.222 25515 861 1 2 . 1 1 56 56 LYS N N 56 120.915 120.915 119.596 1.319 25515 862 1 2 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.899 0.011 25515 863 1 2 . 1 1 56 56 LYS C C 56 173.210 173.210 178.803 -5.593 25515 864 1 2 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.852 -0.371 25515 865 1 2 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.631 -0.723 25515 866 1 2 . 1 1 56 56 LYS H H 56 7.758 7.758 8.022 -0.264 25515 867 1 2 . 1 1 57 57 PHE N N 57 120.024 120.024 119.906 0.118 25515 868 1 2 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.138 -0.133 25515 869 1 2 . 1 1 57 57 PHE C C 57 174.430 174.430 177.300 -2.870 25515 870 1 2 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.540 2.000 25515 871 1 2 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.540 0.548 25515 872 1 2 . 1 1 57 57 PHE H H 57 8.861 8.861 8.392 0.469 25515 873 1 2 . 1 1 58 58 LYS N N 58 119.306 119.306 120.093 -0.787 25515 874 1 2 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.626 0.327 25515 875 1 2 . 1 1 58 58 LYS C C 58 172.875 172.875 178.416 -5.541 25515 876 1 2 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.057 -0.196 25515 877 1 2 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.394 -0.085 25515 878 1 2 . 1 1 58 58 LYS H H 58 7.846 7.846 8.261 -0.415 25515 879 1 2 . 1 1 59 59 GLU N N 59 119.732 119.732 118.493 1.239 25515 880 1 2 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.099 -0.050 25515 881 1 2 . 1 1 59 59 GLU C C 59 171.935 171.935 179.117 -7.182 25515 882 1 2 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.068 0.405 25515 883 1 2 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.230 0.597 25515 884 1 2 . 1 1 59 59 GLU H H 59 7.732 7.732 8.258 -0.526 25515 885 1 2 . 1 1 60 60 ILE N N 60 119.074 119.074 121.624 -2.550 25515 886 1 2 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.696 -0.008 25515 887 1 2 . 1 1 60 60 ILE C C 60 174.424 174.424 178.360 -3.936 25515 888 1 2 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.075 -0.801 25515 889 1 2 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.842 0.605 25515 890 1 2 . 1 1 60 60 ILE H H 60 8.429 8.429 8.645 -0.216 25515 891 1 2 . 1 1 61 61 ASN N N 61 120.038 120.038 117.301 2.737 25515 892 1 2 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.428 -0.127 25515 893 1 2 . 1 1 61 61 ASN C C 61 174.271 174.271 177.439 -3.168 25515 894 1 2 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.893 0.663 25515 895 1 2 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.328 -0.045 25515 896 1 2 . 1 1 61 61 ASN H H 61 8.025 8.025 8.546 -0.521 25515 897 1 2 . 1 1 62 62 ASN N N 62 119.502 119.502 118.925 0.577 25515 898 1 2 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.423 -0.113 25515 899 1 2 . 1 1 62 62 ASN C C 62 176.042 176.042 177.021 -0.979 25515 900 1 2 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.463 0.085 25515 901 1 2 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.580 0.141 25515 902 1 2 . 1 1 62 62 ASN H H 62 8.042 8.042 8.117 -0.075 25515 903 1 2 . 1 1 63 63 ALA N N 63 119.769 119.769 122.183 -2.414 25515 904 1 2 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.855 -0.169 25515 905 1 2 . 1 1 63 63 ALA C C 63 173.564 173.564 179.300 -5.736 25515 906 1 2 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.825 0.715 25515 907 1 2 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.029 0.477 25515 908 1 2 . 1 1 63 63 ALA H H 63 7.944 7.944 8.441 -0.497 25515 909 1 2 . 1 1 64 64 HIS N N 64 115.292 115.292 119.021 -3.729 25515 910 1 2 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.122 -0.595 25515 911 1 2 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.492 0.892 25515 912 1 2 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.533 0.402 25515 913 1 2 . 1 1 64 64 HIS H H 64 8.055 8.055 8.441 -0.386 25515 914 1 2 . 1 1 65 65 ALA N N 65 122.093 122.093 120.400 1.693 25515 915 1 2 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.943 -0.437 25515 916 1 2 . 1 1 65 65 ALA C C 65 172.454 172.454 178.933 -6.479 25515 917 1 2 . 1 1 65 65 ALA CA C 65 54.991 54.991 54.241 0.750 25515 918 1 2 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.367 -1.229 25515 919 1 2 . 1 1 65 65 ALA H H 65 7.944 7.944 7.693 0.251 25515 920 1 2 . 1 1 66 66 ILE N N 66 115.954 115.954 118.762 -2.808 25515 921 1 2 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.609 -0.151 25515 922 1 2 . 1 1 66 66 ILE C C 66 175.394 175.394 178.266 -2.872 25515 923 1 2 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.415 0.193 25515 924 1 2 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.562 1.427 25515 925 1 2 . 1 1 66 66 ILE H H 66 7.358 7.358 7.892 -0.534 25515 926 1 2 . 1 1 67 67 LEU N N 67 111.268 111.268 118.124 -6.856 25515 927 1 2 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.906 -0.231 25515 928 1 2 . 1 1 67 67 LEU C C 67 174.490 174.490 179.015 -4.525 25515 929 1 2 . 1 1 67 67 LEU CA C 67 56.567 56.567 57.255 -0.688 25515 930 1 2 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.676 2.378 25515 931 1 2 . 1 1 67 67 LEU H H 67 7.743 7.743 7.575 0.168 25515 932 1 2 . 1 1 68 68 THR N N 68 103.399 103.399 108.716 -5.317 25515 933 1 2 . 1 1 68 68 THR HA H 68 4.023 4.023 4.115 -0.092 25515 934 1 2 . 1 1 68 68 THR C C 68 178.796 178.796 173.529 5.267 25515 935 1 2 . 1 1 68 68 THR CA C 68 61.672 61.672 62.567 -0.895 25515 936 1 2 . 1 1 68 68 THR CB C 68 69.052 69.052 68.416 0.636 25515 937 1 2 . 1 1 68 68 THR H H 68 7.104 7.104 7.688 -0.584 25515 938 1 2 . 1 1 69 69 ASP N N 69 125.057 125.057 122.064 2.993 25515 939 1 2 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.712 -0.011 25515 940 1 2 . 1 1 69 69 ASP C C 69 177.204 177.204 175.967 1.237 25515 941 1 2 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.891 -0.132 25515 942 1 2 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.780 -0.029 25515 943 1 2 . 1 1 69 69 ASP H H 69 7.076 7.076 7.483 -0.407 25515 944 1 2 . 1 1 70 70 ALA N N 70 128.178 128.178 129.752 -1.574 25515 945 1 2 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.051 -0.154 25515 946 1 2 . 1 1 70 70 ALA C C 70 171.909 171.909 178.905 -6.996 25515 947 1 2 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.990 0.836 25515 948 1 2 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.720 -0.246 25515 949 1 2 . 1 1 70 70 ALA H H 70 8.761 8.761 8.870 -0.109 25515 950 1 2 . 1 1 71 71 THR N N 71 113.629 113.629 115.181 -1.552 25515 951 1 2 . 1 1 71 71 THR HA H 71 3.981 3.981 4.137 -0.156 25515 952 1 2 . 1 1 71 71 THR C C 71 175.038 175.038 176.478 -1.440 25515 953 1 2 . 1 1 71 71 THR CA C 71 66.164 66.164 66.555 -0.391 25515 954 1 2 . 1 1 71 71 THR CB C 71 68.319 68.319 68.818 -0.499 25515 955 1 2 . 1 1 71 71 THR H H 71 7.957 7.957 7.932 0.025 25515 956 1 2 . 1 1 72 72 LYS N N 72 122.501 122.501 121.733 0.768 25515 957 1 2 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.075 -0.265 25515 958 1 2 . 1 1 72 72 LYS C C 72 173.814 173.814 179.048 -5.234 25515 959 1 2 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.651 0.640 25515 960 1 2 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.339 0.467 25515 961 1 2 . 1 1 72 72 LYS H H 72 8.309 8.309 9.097 -0.788 25515 962 1 2 . 1 1 73 73 ARG N N 73 120.595 120.595 117.074 3.521 25515 963 1 2 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.177 -0.574 25515 964 1 2 . 1 1 73 73 ARG C C 73 174.477 174.477 178.053 -3.576 25515 965 1 2 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.562 2.267 25515 966 1 2 . 1 1 73 73 ARG H H 73 9.258 9.258 8.104 1.154 25515 967 1 2 . 1 1 74 74 ASN N N 74 115.425 115.425 120.009 -4.584 25515 968 1 2 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.541 -0.110 25515 969 1 2 . 1 1 74 74 ASN C C 74 174.296 174.296 177.772 -3.476 25515 970 1 2 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.528 0.182 25515 971 1 2 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.521 0.209 25515 972 1 2 . 1 1 74 74 ASN H H 74 7.534 7.534 7.696 -0.162 25515 973 1 2 . 1 1 75 75 ILE N N 75 119.020 119.020 118.802 0.218 25515 974 1 2 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.845 -0.212 25515 975 1 2 . 1 1 75 75 ILE C C 75 174.667 174.667 177.376 -2.709 25515 976 1 2 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.201 1.304 25515 977 1 2 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.392 1.833 25515 978 1 2 . 1 1 75 75 ILE H H 75 7.656 7.656 8.212 -0.556 25515 979 1 2 . 1 1 76 76 TYR N N 76 121.913 121.913 121.681 0.232 25515 980 1 2 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.052 -0.037 25515 981 1 2 . 1 1 76 76 TYR C C 76 173.323 173.323 176.885 -3.562 25515 982 1 2 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.961 -0.413 25515 983 1 2 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.135 0.618 25515 984 1 2 . 1 1 76 76 TYR H H 76 8.894 8.894 7.965 0.929 25515 985 1 2 . 1 1 77 77 ASP N N 77 120.151 120.151 117.970 2.181 25515 986 1 2 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.264 0.073 25515 987 1 2 . 1 1 77 77 ASP C C 77 174.321 174.321 177.791 -3.470 25515 988 1 2 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.677 1.242 25515 989 1 2 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.279 -1.294 25515 990 1 2 . 1 1 77 77 ASP H H 77 9.151 9.151 7.791 1.360 25515 991 1 2 . 1 1 78 78 LYS N N 78 117.659 117.659 119.177 -1.518 25515 992 1 2 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.890 0.037 25515 993 1 2 . 1 1 78 78 LYS C C 78 174.237 174.237 177.487 -3.250 25515 994 1 2 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.489 -0.076 25515 995 1 2 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.597 1.045 25515 996 1 2 . 1 1 78 78 LYS H H 78 7.378 7.378 8.088 -0.710 25515 997 1 2 . 1 1 79 79 TYR N N 79 115.151 115.151 114.596 0.555 25515 998 1 2 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.616 0.005 25515 999 1 2 . 1 1 79 79 TYR C C 79 175.424 175.424 177.725 -2.301 25515 1000 1 2 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.089 -2.516 25515 1001 1 2 . 1 1 79 79 TYR H H 79 8.505 8.505 8.119 0.386 25515 1002 1 2 . 1 1 80 80 GLY N N 80 110.813 110.813 107.648 3.165 25515 1003 1 2 . 1 1 80 80 GLY C C 80 177.481 177.481 175.946 1.535 25515 1004 1 2 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.612 -1.067 25515 1005 1 2 . 1 1 80 80 GLY H H 80 8.222 8.222 8.666 -0.445 25515 1006 1 2 . 1 1 81 81 SER N N 81 117.578 117.578 118.165 -0.587 25515 1007 1 2 . 1 1 81 81 SER C C 81 174.532 174.532 175.962 -1.430 25515 1008 1 2 . 1 1 81 81 SER CA C 81 61.579 61.579 60.610 0.969 25515 1009 1 2 . 1 1 81 81 SER H H 81 8.883 8.883 8.020 0.863 25515 1010 1 2 . 1 1 82 82 LEU N N 82 123.998 123.998 121.888 2.110 25515 1011 1 2 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.511 -0.240 25515 1012 1 2 . 1 1 82 82 LEU C C 82 173.400 173.400 178.679 -5.279 25515 1013 1 2 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.620 1.312 25515 1014 1 2 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.800 -0.413 25515 1015 1 2 . 1 1 82 82 LEU H H 82 8.920 8.920 8.064 0.856 25515 1016 1 2 . 1 1 83 83 GLY N N 83 105.677 105.677 107.130 -1.453 25515 1017 1 2 . 1 1 83 83 GLY C C 83 177.230 177.230 175.927 1.303 25515 1018 1 2 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.706 -0.058 25515 1019 1 2 . 1 1 83 83 GLY H H 83 7.565 7.565 8.950 -1.385 25515 1020 1 2 . 1 1 84 84 LEU N N 84 119.542 119.542 122.305 -2.763 25515 1021 1 2 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.258 -0.199 25515 1022 1 2 . 1 1 84 84 LEU C C 84 173.036 173.036 178.260 -5.224 25515 1023 1 2 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.020 0.413 25515 1024 1 2 . 1 1 84 84 LEU H H 84 7.495 7.495 7.662 -0.167 25515 1025 1 2 . 1 1 85 85 TYR N N 85 121.424 121.424 119.388 2.036 25515 1026 1 2 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.801 -0.543 25515 1027 1 2 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.111 0.859 25515 1028 1 2 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.518 -0.210 25515 1029 1 2 . 1 1 85 85 TYR H H 85 7.894 7.894 7.814 0.080 25515 1030 1 2 . 1 1 86 86 VAL N N 86 120.088 120.088 120.515 -0.427 25515 1031 1 2 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.323 -0.047 25515 1032 1 2 . 1 1 86 86 VAL C C 86 174.300 174.300 177.048 -2.748 25515 1033 1 2 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.196 2.113 25515 1034 1 2 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.729 -0.055 25515 1035 1 2 . 1 1 86 86 VAL H H 86 8.402 8.402 8.341 0.061 25515 1036 1 2 . 1 1 87 87 ALA N N 87 121.800 121.800 121.792 0.008 25515 1037 1 2 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.143 -0.406 25515 1038 1 2 . 1 1 87 87 ALA C C 87 172.312 172.312 179.879 -7.567 25515 1039 1 2 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.389 -0.946 25515 1040 1 2 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.089 0.312 25515 1041 1 2 . 1 1 87 87 ALA H H 87 8.317 8.317 8.045 0.272 25515 1042 1 2 . 1 1 88 88 GLU N N 88 118.012 118.012 117.844 0.168 25515 1043 1 2 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.025 -0.150 25515 1044 1 2 . 1 1 88 88 GLU C C 88 174.071 174.071 178.412 -4.341 25515 1045 1 2 . 1 1 88 88 GLU CA C 88 58.766 58.766 59.070 -0.304 25515 1046 1 2 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.349 0.199 25515 1047 1 2 . 1 1 88 88 GLU H H 88 7.777 7.777 8.094 -0.317 25515 1048 1 2 . 1 1 89 89 GLN N N 89 116.164 116.164 116.969 -0.805 25515 1049 1 2 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.167 -0.456 25515 1050 1 2 . 1 1 89 89 GLN C C 89 174.572 174.572 177.340 -2.768 25515 1051 1 2 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.402 -0.357 25515 1052 1 2 . 1 1 89 89 GLN CB C 89 28.664 28.664 28.891 -0.227 25515 1053 1 2 . 1 1 89 89 GLN H H 89 7.704 7.704 7.728 -0.024 25515 1054 1 2 . 1 1 90 90 PHE N N 90 114.734 114.734 116.866 -2.132 25515 1055 1 2 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.513 0.197 25515 1056 1 2 . 1 1 90 90 PHE C C 90 175.715 175.715 176.436 -0.721 25515 1057 1 2 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.504 -2.099 25515 1058 1 2 . 1 1 90 90 PHE CB C 90 40.203 40.203 39.987 0.216 25515 1059 1 2 . 1 1 90 90 PHE H H 90 8.241 8.241 8.658 -0.417 25515 1060 1 2 . 1 1 91 91 GLY N N 91 111.234 111.234 105.977 5.257 25515 1061 1 2 . 1 1 91 91 GLY C C 91 176.788 176.788 174.541 2.247 25515 1062 1 2 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.903 0.267 25515 1063 1 2 . 1 1 91 91 GLY H H 91 7.668 7.668 8.182 -0.514 25515 1064 1 2 . 1 1 92 92 GLU N N 92 123.392 123.392 117.269 6.123 25515 1065 1 2 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.674 0.168 25515 1066 1 2 . 1 1 92 92 GLU C C 92 174.798 174.798 176.964 -2.166 25515 1067 1 2 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.695 -0.437 25515 1068 1 2 . 1 1 92 92 GLU CB C 92 29.618 29.618 27.829 1.789 25515 1069 1 2 . 1 1 92 92 GLU H H 92 8.793 8.793 8.138 0.655 25515 1070 1 2 . 1 1 93 93 GLU N N 93 118.621 118.621 118.809 -0.188 25515 1071 1 2 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.057 0.128 25515 1072 1 2 . 1 1 93 93 GLU C C 93 175.143 175.143 178.898 -3.755 25515 1073 1 2 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.782 -0.897 25515 1074 1 2 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.436 -0.369 25515 1075 1 2 . 1 1 93 93 GLU H H 93 9.356 9.356 8.623 0.733 25515 1076 1 2 . 1 1 94 94 ASN N N 94 116.563 116.563 119.228 -2.665 25515 1077 1 2 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.633 0.278 25515 1078 1 2 . 1 1 94 94 ASN C C 94 176.192 176.192 177.532 -1.340 25515 1079 1 2 . 1 1 94 94 ASN CA C 94 53.311 53.311 55.503 -2.192 25515 1080 1 2 . 1 1 94 94 ASN CB C 94 39.744 39.744 37.807 1.937 25515 1081 1 2 . 1 1 94 94 ASN H H 94 7.881 7.881 8.679 -0.798 25515 1082 1 2 . 1 1 95 95 VAL N N 95 119.858 119.858 118.383 1.475 25515 1083 1 2 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.759 -0.019 25515 1084 1 2 . 1 1 95 95 VAL C C 95 175.715 175.715 177.453 -1.738 25515 1085 1 2 . 1 1 95 95 VAL CA C 95 65.498 65.498 65.746 -0.248 25515 1086 1 2 . 1 1 95 95 VAL CB C 95 31.966 31.966 30.810 1.156 25515 1087 1 2 . 1 1 95 95 VAL H H 95 7.405 7.405 8.144 -0.739 25515 1088 1 2 . 1 1 96 96 ASN N N 96 116.409 116.409 118.287 -1.878 25515 1089 1 2 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.636 -0.178 25515 1090 1 2 . 1 1 96 96 ASN C C 96 175.322 175.322 176.922 -1.600 25515 1091 1 2 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.730 -0.012 25515 1092 1 2 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.443 -0.227 25515 1093 1 2 . 1 1 96 96 ASN H H 96 8.356 8.356 7.804 0.552 25515 1094 1 2 . 1 1 97 97 THR N N 97 111.266 111.266 113.644 -2.378 25515 1095 1 2 . 1 1 97 97 THR HA H 97 3.993 3.993 4.100 -0.107 25515 1096 1 2 . 1 1 97 97 THR C C 97 177.418 177.418 175.953 1.465 25515 1097 1 2 . 1 1 97 97 THR CA C 97 63.604 63.604 65.205 -1.601 25515 1098 1 2 . 1 1 97 97 THR CB C 97 69.162 69.162 68.873 0.289 25515 1099 1 2 . 1 1 97 97 THR H H 97 7.575 7.575 8.253 -0.678 25515 1100 1 2 . 1 1 98 98 TYR N N 98 119.963 119.963 118.246 1.717 25515 1101 1 2 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.317 0.005 25515 1102 1 2 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.556 -0.358 25515 1103 1 2 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.064 0.180 25515 1104 1 2 . 1 1 98 98 TYR H H 98 7.480 7.480 7.837 -0.357 25515 1105 1 2 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.457 0.103 25515 1106 1 2 . 1 1 99 99 PHE C C 99 177.317 177.317 175.667 1.650 25515 1107 1 2 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.351 0.642 25515 1108 1 2 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.375 0.267 25515 1109 1 3 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.345 -0.054 25515 1110 1 3 . 1 1 2 2 ALA C C 2 175.019 175.019 176.647 -1.628 25515 1111 1 3 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.855 0.716 25515 1112 1 3 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.266 0.853 25515 1113 1 3 . 1 1 3 3 ASP N N 3 120.192 120.192 124.927 -4.735 25515 1114 1 3 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.783 -0.298 25515 1115 1 3 . 1 1 3 3 ASP C C 3 175.549 175.549 175.674 -0.125 25515 1116 1 3 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.838 0.414 25515 1117 1 3 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.969 -0.737 25515 1118 1 3 . 1 1 3 3 ASP H H 3 8.336 8.336 8.074 0.262 25515 1119 1 3 . 1 1 4 4 GLN N N 4 121.286 121.286 122.658 -1.372 25515 1120 1 3 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.309 -0.106 25515 1121 1 3 . 1 1 4 4 GLN C C 4 175.579 175.579 177.197 -1.618 25515 1122 1 3 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.529 0.797 25515 1123 1 3 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.444 -0.327 25515 1124 1 3 . 1 1 4 4 GLN H H 4 8.404 8.404 8.436 -0.032 25515 1125 1 3 . 1 1 5 5 ARG N N 5 121.138 121.138 119.406 1.732 25515 1126 1 3 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.108 0.056 25515 1127 1 3 . 1 1 5 5 ARG C C 5 175.327 175.327 178.053 -2.726 25515 1128 1 3 . 1 1 5 5 ARG CA C 5 56.776 56.776 58.505 -1.729 25515 1129 1 3 . 1 1 5 5 ARG CB C 5 30.511 30.511 29.599 0.912 25515 1130 1 3 . 1 1 5 5 ARG H H 5 8.281 8.281 8.852 -0.571 25515 1131 1 3 . 1 1 6 6 GLN N N 6 120.348 120.348 116.530 3.818 25515 1132 1 3 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.300 -0.111 25515 1133 1 3 . 1 1 6 6 GLN C C 6 175.838 175.838 177.477 -1.639 25515 1134 1 3 . 1 1 6 6 GLN CA C 6 56.208 56.208 56.564 -0.356 25515 1135 1 3 . 1 1 6 6 GLN CB C 6 29.131 29.131 27.641 1.490 25515 1136 1 3 . 1 1 6 6 GLN H H 6 8.253 8.253 8.621 -0.368 25515 1137 1 3 . 1 1 7 7 ARG N N 7 121.761 121.761 119.357 2.404 25515 1138 1 3 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.408 -0.167 25515 1139 1 3 . 1 1 7 7 ARG C C 7 175.708 175.708 177.261 -1.553 25515 1140 1 3 . 1 1 7 7 ARG CA C 7 56.336 56.336 57.782 -1.446 25515 1141 1 3 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.890 -0.118 25515 1142 1 3 . 1 1 7 7 ARG H H 7 8.211 8.211 7.396 0.815 25515 1143 1 3 . 1 1 8 8 SER N N 8 116.450 116.450 114.710 1.740 25515 1144 1 3 . 1 1 8 8 SER HA H 8 4.384 4.384 4.629 -0.245 25515 1145 1 3 . 1 1 8 8 SER C C 8 177.569 177.569 176.015 1.554 25515 1146 1 3 . 1 1 8 8 SER CA C 8 58.298 58.298 60.034 -1.736 25515 1147 1 3 . 1 1 8 8 SER CB C 8 63.786 63.786 64.117 -0.331 25515 1148 1 3 . 1 1 8 8 SER H H 8 8.220 8.220 7.690 0.530 25515 1149 1 3 . 1 1 9 9 LEU N N 9 123.709 123.709 119.600 4.109 25515 1150 1 3 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.308 0.046 25515 1151 1 3 . 1 1 9 9 LEU C C 9 174.915 174.915 178.357 -3.442 25515 1152 1 3 . 1 1 9 9 LEU CA C 9 54.976 54.976 57.376 -2.400 25515 1153 1 3 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.650 1.028 25515 1154 1 3 . 1 1 9 9 LEU H H 9 8.091 8.091 7.573 0.518 25515 1155 1 3 . 1 1 10 10 SER N N 10 115.478 115.478 114.781 0.697 25515 1156 1 3 . 1 1 10 10 SER HA H 10 4.561 4.561 4.436 0.125 25515 1157 1 3 . 1 1 10 10 SER C C 10 177.096 177.096 174.982 2.114 25515 1158 1 3 . 1 1 10 10 SER CA C 10 58.016 58.016 60.667 -2.651 25515 1159 1 3 . 1 1 10 10 SER CB C 10 64.062 64.062 64.061 0.001 25515 1160 1 3 . 1 1 10 10 SER H H 10 8.187 8.187 8.075 0.112 25515 1161 1 3 . 1 1 11 11 THR N N 11 114.393 114.393 115.462 -1.069 25515 1162 1 3 . 1 1 11 11 THR HA H 11 4.516 4.516 4.515 0.001 25515 1163 1 3 . 1 1 11 11 THR C C 11 177.232 177.232 174.609 2.623 25515 1164 1 3 . 1 1 11 11 THR CA C 11 61.740 61.740 61.893 -0.153 25515 1165 1 3 . 1 1 11 11 THR CB C 11 69.478 69.478 68.793 0.685 25515 1166 1 3 . 1 1 11 11 THR H H 11 8.180 8.180 7.880 0.300 25515 1167 1 3 . 1 1 12 12 SER N N 12 117.125 117.125 121.427 -4.302 25515 1168 1 3 . 1 1 12 12 SER HA H 12 4.391 4.391 4.489 -0.098 25515 1169 1 3 . 1 1 12 12 SER C C 12 176.856 176.856 175.695 1.161 25515 1170 1 3 . 1 1 12 12 SER CA C 12 58.537 58.537 59.081 -0.544 25515 1171 1 3 . 1 1 12 12 SER CB C 12 63.915 63.915 64.161 -0.246 25515 1172 1 3 . 1 1 12 12 SER H H 12 8.171 8.171 8.132 0.039 25515 1173 1 3 . 1 1 13 13 GLY N N 13 111.544 111.544 110.399 1.145 25515 1174 1 3 . 1 1 13 13 GLY C C 13 178.243 178.243 173.888 4.355 25515 1175 1 3 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.501 -0.021 25515 1176 1 3 . 1 1 13 13 GLY H H 13 8.381 8.381 8.788 -0.407 25515 1177 1 3 . 1 1 14 14 GLU N N 14 119.223 119.223 119.120 0.103 25515 1178 1 3 . 1 1 14 14 GLU HA H 14 4.440 4.440 5.018 -0.578 25515 1179 1 3 . 1 1 14 14 GLU C C 14 174.876 174.876 175.518 -0.642 25515 1180 1 3 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.593 0.831 25515 1181 1 3 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.966 -0.988 25515 1182 1 3 . 1 1 14 14 GLU H H 14 8.149 8.149 7.515 0.634 25515 1183 1 3 . 1 1 15 15 SER N N 15 117.752 117.752 115.958 1.794 25515 1184 1 3 . 1 1 15 15 SER H H 15 8.437 8.437 8.860 -0.423 25515 1185 1 3 . 1 1 16 16 LEU N N 16 121.072 121.072 123.061 -1.989 25515 1186 1 3 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.174 -0.313 25515 1187 1 3 . 1 1 16 16 LEU C C 16 174.423 174.423 178.827 -4.404 25515 1188 1 3 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.405 0.020 25515 1189 1 3 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.223 0.453 25515 1190 1 3 . 1 1 16 16 LEU H H 16 8.233 8.233 8.472 -0.239 25515 1191 1 3 . 1 1 17 17 TYR N N 17 111.961 111.961 115.877 -3.916 25515 1192 1 3 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.156 -0.494 25515 1193 1 3 . 1 1 17 17 TYR C C 17 173.256 173.256 178.384 -5.128 25515 1194 1 3 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.001 -0.135 25515 1195 1 3 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.151 0.256 25515 1196 1 3 . 1 1 17 17 TYR H H 17 6.929 6.929 8.147 -1.218 25515 1197 1 3 . 1 1 18 18 HIS N N 18 119.254 119.254 118.243 1.011 25515 1198 1 3 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.362 0.077 25515 1199 1 3 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.685 -0.771 25515 1200 1 3 . 1 1 18 18 HIS CB C 18 29.615 29.615 29.896 -0.281 25515 1201 1 3 . 1 1 18 18 HIS H H 18 7.672 7.672 8.515 -0.843 25515 1202 1 3 . 1 1 19 19 VAL N N 19 120.746 120.746 118.075 2.671 25515 1203 1 3 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.760 -0.055 25515 1204 1 3 . 1 1 19 19 VAL C C 19 175.643 175.643 177.465 -1.822 25515 1205 1 3 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.195 0.338 25515 1206 1 3 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.872 -0.406 25515 1207 1 3 . 1 1 19 19 VAL H H 19 7.883 7.883 7.298 0.585 25515 1208 1 3 . 1 1 20 20 LEU N N 20 114.576 114.576 117.252 -2.676 25515 1209 1 3 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.270 0.091 25515 1210 1 3 . 1 1 20 20 LEU C C 20 175.746 175.746 177.096 -1.350 25515 1211 1 3 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.420 -2.139 25515 1212 1 3 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.564 0.336 25515 1213 1 3 . 1 1 20 20 LEU H H 20 6.626 6.626 7.555 -0.929 25515 1214 1 3 . 1 1 21 21 GLY N N 21 109.239 109.239 106.267 2.972 25515 1215 1 3 . 1 1 21 21 GLY C C 21 177.637 177.637 174.594 3.043 25515 1216 1 3 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.612 0.671 25515 1217 1 3 . 1 1 21 21 GLY H H 21 7.991 7.991 7.852 0.139 25515 1218 1 3 . 1 1 22 22 LEU N N 22 119.495 119.495 116.552 2.943 25515 1219 1 3 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.949 -0.182 25515 1220 1 3 . 1 1 22 22 LEU C C 22 177.306 177.306 174.989 2.317 25515 1221 1 3 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.557 -0.675 25515 1222 1 3 . 1 1 22 22 LEU CB C 22 45.907 45.907 42.849 3.058 25515 1223 1 3 . 1 1 22 22 LEU H H 22 7.765 7.765 7.485 0.280 25515 1224 1 3 . 1 1 23 23 ASP N N 23 118.518 118.518 117.990 0.528 25515 1225 1 3 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.774 -0.185 25515 1226 1 3 . 1 1 23 23 ASP C C 23 176.597 176.597 177.261 -0.664 25515 1227 1 3 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.521 -1.490 25515 1228 1 3 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.827 0.654 25515 1229 1 3 . 1 1 23 23 ASP H H 23 7.977 7.977 8.422 -0.445 25515 1230 1 3 . 1 1 24 24 LYS N N 24 115.499 115.499 118.868 -3.369 25515 1231 1 3 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.392 -1.240 25515 1232 1 3 . 1 1 24 24 LYS C C 24 176.231 176.231 175.727 0.504 25515 1233 1 3 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.031 0.036 25515 1234 1 3 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.756 0.606 25515 1235 1 3 . 1 1 24 24 LYS H H 24 7.811 7.811 8.530 -0.719 25515 1236 1 3 . 1 1 25 25 ASN N N 25 115.622 115.622 115.753 -0.131 25515 1237 1 3 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.764 -0.239 25515 1238 1 3 . 1 1 25 25 ASN C C 25 176.698 176.698 175.148 1.550 25515 1239 1 3 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.725 0.148 25515 1240 1 3 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.065 -0.991 25515 1241 1 3 . 1 1 25 25 ASN H H 25 7.817 7.817 7.955 -0.138 25515 1242 1 3 . 1 1 26 26 ALA N N 26 122.970 122.970 124.222 -1.252 25515 1243 1 3 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.305 0.054 25515 1244 1 3 . 1 1 26 26 ALA C C 26 173.847 173.847 176.330 -2.483 25515 1245 1 3 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.430 0.487 25515 1246 1 3 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.573 1.394 25515 1247 1 3 . 1 1 26 26 ALA H H 26 7.646 7.646 7.453 0.193 25515 1248 1 3 . 1 1 27 27 THR N N 27 113.252 113.252 113.472 -0.220 25515 1249 1 3 . 1 1 27 27 THR HA H 27 4.657 4.657 4.547 0.110 25515 1250 1 3 . 1 1 27 27 THR C C 27 175.986 175.986 176.011 -0.025 25515 1251 1 3 . 1 1 27 27 THR CA C 27 60.427 60.427 59.825 0.602 25515 1252 1 3 . 1 1 27 27 THR CB C 27 71.702 71.702 71.460 0.242 25515 1253 1 3 . 1 1 27 27 THR H H 27 9.089 9.089 8.155 0.934 25515 1254 1 3 . 1 1 28 28 SER N N 28 115.961 115.961 117.342 -1.381 25515 1255 1 3 . 1 1 28 28 SER HA H 28 3.930 3.930 4.050 -0.120 25515 1256 1 3 . 1 1 28 28 SER C C 28 175.440 175.440 175.874 -0.434 25515 1257 1 3 . 1 1 28 28 SER CA C 28 62.515 62.515 63.169 -0.653 25515 1258 1 3 . 1 1 28 28 SER CB C 28 62.713 62.713 63.059 -0.346 25515 1259 1 3 . 1 1 28 28 SER H H 28 9.095 9.095 8.789 0.306 25515 1260 1 3 . 1 1 29 29 ASP N N 29 119.797 119.797 120.761 -0.964 25515 1261 1 3 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.438 -0.035 25515 1262 1 3 . 1 1 29 29 ASP C C 29 173.862 173.862 178.293 -4.431 25515 1263 1 3 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.540 0.243 25515 1264 1 3 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.288 0.763 25515 1265 1 3 . 1 1 29 29 ASP H H 29 8.122 8.122 8.494 -0.372 25515 1266 1 3 . 1 1 30 30 ASP N N 30 120.847 120.847 120.450 0.397 25515 1267 1 3 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.510 -0.163 25515 1268 1 3 . 1 1 30 30 ASP C C 30 172.627 172.627 178.956 -6.329 25515 1269 1 3 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.249 0.440 25515 1270 1 3 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.961 0.021 25515 1271 1 3 . 1 1 30 30 ASP H H 30 7.851 7.851 7.687 0.164 25515 1272 1 3 . 1 1 31 31 ILE N N 31 121.776 121.776 120.833 0.943 25515 1273 1 3 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.708 -0.192 25515 1274 1 3 . 1 1 31 31 ILE C C 31 174.709 174.709 178.110 -3.401 25515 1275 1 3 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.377 0.109 25515 1276 1 3 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.856 0.385 25515 1277 1 3 . 1 1 31 31 ILE H H 31 8.122 8.122 8.395 -0.273 25515 1278 1 3 . 1 1 32 32 LYS N N 32 119.510 119.510 120.376 -0.866 25515 1279 1 3 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.449 -0.372 25515 1280 1 3 . 1 1 32 32 LYS C C 32 172.959 172.959 179.234 -6.275 25515 1281 1 3 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.521 2.314 25515 1282 1 3 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.086 0.418 25515 1283 1 3 . 1 1 32 32 LYS H H 32 8.172 8.172 7.927 0.245 25515 1284 1 3 . 1 1 33 33 LYS N N 33 119.042 119.042 120.723 -1.681 25515 1285 1 3 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.022 -0.054 25515 1286 1 3 . 1 1 33 33 LYS C C 33 172.323 172.323 179.277 -6.954 25515 1287 1 3 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.819 0.187 25515 1288 1 3 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.230 0.484 25515 1289 1 3 . 1 1 33 33 LYS H H 33 8.342 8.342 8.216 0.126 25515 1290 1 3 . 1 1 34 34 SER N N 34 115.060 115.060 115.242 -0.182 25515 1291 1 3 . 1 1 34 34 SER HA H 34 4.260 4.260 4.214 0.046 25515 1292 1 3 . 1 1 34 34 SER C C 34 175.503 175.503 176.263 -0.760 25515 1293 1 3 . 1 1 34 34 SER CA C 34 61.734 61.734 62.196 -0.462 25515 1294 1 3 . 1 1 34 34 SER CB C 34 63.088 63.088 63.046 0.042 25515 1295 1 3 . 1 1 34 34 SER H H 34 8.161 8.161 8.406 -0.245 25515 1296 1 3 . 1 1 35 35 TYR N N 35 119.241 119.241 123.092 -3.851 25515 1297 1 3 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.143 -0.269 25515 1298 1 3 . 1 1 35 35 TYR C C 35 176.352 176.352 177.081 -0.729 25515 1299 1 3 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.615 0.254 25515 1300 1 3 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.500 0.290 25515 1301 1 3 . 1 1 35 35 TYR H H 35 8.499 8.499 7.712 0.787 25515 1302 1 3 . 1 1 36 36 ARG N N 36 116.674 116.674 118.023 -1.349 25515 1303 1 3 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.561 -0.108 25515 1304 1 3 . 1 1 36 36 ARG C C 36 173.135 173.135 178.669 -5.534 25515 1305 1 3 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.675 0.935 25515 1306 1 3 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.386 0.493 25515 1307 1 3 . 1 1 36 36 ARG H H 36 7.967 7.967 8.227 -0.260 25515 1308 1 3 . 1 1 37 37 LYS N N 37 116.974 116.974 119.084 -2.110 25515 1309 1 3 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.989 -0.019 25515 1310 1 3 . 1 1 37 37 LYS C C 37 172.489 172.489 179.648 -7.159 25515 1311 1 3 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.386 -0.009 25515 1312 1 3 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.227 0.530 25515 1313 1 3 . 1 1 37 37 LYS H H 37 7.275 7.275 8.295 -1.020 25515 1314 1 3 . 1 1 38 38 LEU N N 38 120.978 120.978 118.799 2.179 25515 1315 1 3 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.280 -0.257 25515 1316 1 3 . 1 1 38 38 LEU C C 38 173.557 173.557 178.290 -4.733 25515 1317 1 3 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.572 0.832 25515 1318 1 3 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.183 0.185 25515 1319 1 3 . 1 1 38 38 LEU H H 38 8.268 8.268 7.673 0.595 25515 1320 1 3 . 1 1 39 39 ALA N N 39 122.700 122.700 123.034 -0.334 25515 1321 1 3 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.834 0.051 25515 1322 1 3 . 1 1 39 39 ALA C C 39 172.721 172.721 178.862 -6.141 25515 1323 1 3 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.287 0.153 25515 1324 1 3 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.143 -1.193 25515 1325 1 3 . 1 1 39 39 ALA H H 39 9.043 9.043 8.337 0.706 25515 1326 1 3 . 1 1 40 40 LEU N N 40 114.462 114.462 113.956 0.506 25515 1327 1 3 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.978 0.054 25515 1328 1 3 . 1 1 40 40 LEU C C 40 173.110 173.110 179.116 -6.006 25515 1329 1 3 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.519 0.790 25515 1330 1 3 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.103 1.931 25515 1331 1 3 . 1 1 40 40 LEU H H 40 6.862 6.862 7.442 -0.580 25515 1332 1 3 . 1 1 41 41 LYS N N 41 118.126 118.126 121.685 -3.559 25515 1333 1 3 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.753 0.089 25515 1334 1 3 . 1 1 41 41 LYS C C 41 173.695 173.695 177.613 -3.918 25515 1335 1 3 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.025 -0.283 25515 1336 1 3 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.325 0.662 25515 1337 1 3 . 1 1 41 41 LYS H H 41 7.135 7.135 7.674 -0.539 25515 1338 1 3 . 1 1 42 42 TYR N N 42 113.902 113.902 114.957 -1.055 25515 1339 1 3 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.529 -0.039 25515 1340 1 3 . 1 1 42 42 TYR C C 42 178.884 178.884 174.646 4.238 25515 1341 1 3 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.381 0.632 25515 1342 1 3 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.405 0.105 25515 1343 1 3 . 1 1 42 42 TYR H H 42 7.756 7.756 7.950 -0.194 25515 1344 1 3 . 1 1 43 43 HIS N N 43 120.909 120.909 122.520 -1.611 25515 1345 1 3 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.122 -0.650 25515 1346 1 3 . 1 1 43 43 HIS CA C 43 56.899 56.899 55.846 1.053 25515 1347 1 3 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.312 -0.187 25515 1348 1 3 . 1 1 43 43 HIS H H 43 7.134 7.134 7.657 -0.523 25515 1349 1 3 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.082 -0.084 25515 1350 1 3 . 1 1 44 44 PRO C C 44 172.774 172.774 178.298 -5.524 25515 1351 1 3 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.948 -0.343 25515 1352 1 3 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.664 -0.054 25515 1353 1 3 . 1 1 45 45 ASP N N 45 121.379 121.379 115.847 5.532 25515 1354 1 3 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.418 -0.061 25515 1355 1 3 . 1 1 45 45 ASP C C 45 173.968 173.968 177.017 -3.049 25515 1356 1 3 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.439 1.332 25515 1357 1 3 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.550 -0.427 25515 1358 1 3 . 1 1 45 45 ASP H H 45 10.727 10.727 8.472 2.255 25515 1359 1 3 . 1 1 46 46 LYS N N 46 115.902 115.902 117.187 -1.285 25515 1360 1 3 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.318 0.040 25515 1361 1 3 . 1 1 46 46 LYS C C 46 176.450 176.450 176.650 -0.200 25515 1362 1 3 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.222 -1.448 25515 1363 1 3 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.239 0.950 25515 1364 1 3 . 1 1 46 46 LYS H H 46 7.475 7.475 8.066 -0.591 25515 1365 1 3 . 1 1 47 47 ASN N N 47 117.709 117.709 119.842 -2.133 25515 1366 1 3 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.089 0.061 25515 1367 1 3 . 1 1 47 47 ASN C C 47 170.657 170.657 173.707 -3.050 25515 1368 1 3 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.329 0.211 25515 1369 1 3 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.242 2.314 25515 1370 1 3 . 1 1 47 47 ASN H H 47 7.410 7.410 7.445 -0.035 25515 1371 1 3 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.520 -0.154 25515 1372 1 3 . 1 1 48 48 PRO C C 48 174.739 174.739 176.329 -1.590 25515 1373 1 3 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.520 1.592 25515 1374 1 3 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.556 -1.032 25515 1375 1 3 . 1 1 49 49 ASP N N 49 117.619 117.619 117.192 0.427 25515 1376 1 3 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.496 -0.119 25515 1377 1 3 . 1 1 49 49 ASP C C 49 177.335 177.335 176.132 1.203 25515 1378 1 3 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.154 -0.570 25515 1379 1 3 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.922 -0.668 25515 1380 1 3 . 1 1 49 49 ASP H H 49 8.679 8.679 8.311 0.368 25515 1381 1 3 . 1 1 50 50 ASN N N 50 114.537 114.537 118.328 -3.791 25515 1382 1 3 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.706 0.494 25515 1383 1 3 . 1 1 50 50 ASN C C 50 178.245 178.245 174.443 3.802 25515 1384 1 3 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.950 -1.815 25515 1385 1 3 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.400 1.176 25515 1386 1 3 . 1 1 50 50 ASN H H 50 7.341 7.341 8.261 -0.920 25515 1387 1 3 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.522 -0.158 25515 1388 1 3 . 1 1 51 51 PRO C C 51 173.714 173.714 177.796 -4.082 25515 1389 1 3 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.297 1.321 25515 1390 1 3 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.079 0.022 25515 1391 1 3 . 1 1 52 52 GLU N N 52 118.597 118.597 121.374 -2.777 25515 1392 1 3 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.055 0.133 25515 1393 1 3 . 1 1 52 52 GLU C C 52 173.216 173.216 178.046 -4.830 25515 1394 1 3 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.202 -1.252 25515 1395 1 3 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.387 -0.188 25515 1396 1 3 . 1 1 52 52 GLU H H 52 8.048 8.048 8.743 -0.695 25515 1397 1 3 . 1 1 53 53 ALA N N 53 122.149 122.149 121.062 1.087 25515 1398 1 3 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.121 -0.147 25515 1399 1 3 . 1 1 53 53 ALA C C 53 173.485 173.485 179.323 -5.838 25515 1400 1 3 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.813 0.258 25515 1401 1 3 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.224 -0.447 25515 1402 1 3 . 1 1 53 53 ALA H H 53 7.606 7.606 8.058 -0.452 25515 1403 1 3 . 1 1 54 54 ALA N N 54 119.475 119.475 121.556 -2.081 25515 1404 1 3 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.128 0.099 25515 1405 1 3 . 1 1 54 54 ALA C C 54 171.125 171.125 179.319 -8.194 25515 1406 1 3 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.783 0.388 25515 1407 1 3 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.334 -0.487 25515 1408 1 3 . 1 1 54 54 ALA H H 54 7.680 7.680 8.168 -0.488 25515 1409 1 3 . 1 1 55 55 ASP N N 55 120.134 120.134 119.175 0.959 25515 1410 1 3 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.321 0.100 25515 1411 1 3 . 1 1 55 55 ASP C C 55 173.088 173.088 178.646 -5.558 25515 1412 1 3 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.830 -0.424 25515 1413 1 3 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.805 -0.476 25515 1414 1 3 . 1 1 55 55 ASP H H 55 7.983 7.983 8.457 -0.474 25515 1415 1 3 . 1 1 56 56 LYS N N 56 120.915 120.915 120.920 -0.005 25515 1416 1 3 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.984 -0.074 25515 1417 1 3 . 1 1 56 56 LYS C C 56 173.210 173.210 178.356 -5.146 25515 1418 1 3 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.479 0.002 25515 1419 1 3 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.530 -0.622 25515 1420 1 3 . 1 1 56 56 LYS H H 56 7.758 7.758 7.820 -0.062 25515 1421 1 3 . 1 1 57 57 PHE N N 57 120.024 120.024 120.374 -0.350 25515 1422 1 3 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.118 -0.113 25515 1423 1 3 . 1 1 57 57 PHE C C 57 174.430 174.430 177.398 -2.968 25515 1424 1 3 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.566 1.974 25515 1425 1 3 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.619 0.469 25515 1426 1 3 . 1 1 57 57 PHE H H 57 8.861 8.861 8.663 0.198 25515 1427 1 3 . 1 1 58 58 LYS N N 58 119.306 119.306 119.852 -0.546 25515 1428 1 3 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.690 0.263 25515 1429 1 3 . 1 1 58 58 LYS C C 58 172.875 172.875 178.420 -5.545 25515 1430 1 3 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.127 -0.266 25515 1431 1 3 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.426 -0.117 25515 1432 1 3 . 1 1 58 58 LYS H H 58 7.846 7.846 8.278 -0.432 25515 1433 1 3 . 1 1 59 59 GLU N N 59 119.732 119.732 118.299 1.433 25515 1434 1 3 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.091 -0.042 25515 1435 1 3 . 1 1 59 59 GLU C C 59 171.935 171.935 179.237 -7.302 25515 1436 1 3 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.146 0.327 25515 1437 1 3 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.260 0.567 25515 1438 1 3 . 1 1 59 59 GLU H H 59 7.732 7.732 7.895 -0.163 25515 1439 1 3 . 1 1 60 60 ILE N N 60 119.074 119.074 121.545 -2.471 25515 1440 1 3 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.712 -0.024 25515 1441 1 3 . 1 1 60 60 ILE C C 60 174.424 174.424 178.259 -3.835 25515 1442 1 3 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.086 -0.812 25515 1443 1 3 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.856 0.591 25515 1444 1 3 . 1 1 60 60 ILE H H 60 8.429 8.429 8.729 -0.300 25515 1445 1 3 . 1 1 61 61 ASN N N 61 120.038 120.038 117.485 2.553 25515 1446 1 3 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.541 -0.240 25515 1447 1 3 . 1 1 61 61 ASN C C 61 174.271 174.271 177.610 -3.339 25515 1448 1 3 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.905 0.651 25515 1449 1 3 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.348 -0.065 25515 1450 1 3 . 1 1 61 61 ASN H H 61 8.025 8.025 8.509 -0.484 25515 1451 1 3 . 1 1 62 62 ASN N N 62 119.502 119.502 119.131 0.371 25515 1452 1 3 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.412 -0.102 25515 1453 1 3 . 1 1 62 62 ASN C C 62 176.042 176.042 177.030 -0.988 25515 1454 1 3 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.705 -0.157 25515 1455 1 3 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.609 0.112 25515 1456 1 3 . 1 1 62 62 ASN H H 62 8.042 8.042 8.228 -0.186 25515 1457 1 3 . 1 1 63 63 ALA N N 63 119.769 119.769 122.376 -2.607 25515 1458 1 3 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.897 -0.211 25515 1459 1 3 . 1 1 63 63 ALA C C 63 173.564 173.564 179.219 -5.655 25515 1460 1 3 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.870 0.670 25515 1461 1 3 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.905 0.601 25515 1462 1 3 . 1 1 63 63 ALA H H 63 7.944 7.944 8.429 -0.485 25515 1463 1 3 . 1 1 64 64 HIS N N 64 115.292 115.292 118.790 -3.498 25515 1464 1 3 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.159 -0.632 25515 1465 1 3 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.557 0.827 25515 1466 1 3 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.797 0.139 25515 1467 1 3 . 1 1 64 64 HIS H H 64 8.055 8.055 8.377 -0.322 25515 1468 1 3 . 1 1 65 65 ALA N N 65 122.093 122.093 121.189 0.904 25515 1469 1 3 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.976 -0.470 25515 1470 1 3 . 1 1 65 65 ALA C C 65 172.454 172.454 180.035 -7.581 25515 1471 1 3 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.876 1.115 25515 1472 1 3 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.008 -0.870 25515 1473 1 3 . 1 1 65 65 ALA H H 65 7.944 7.944 7.628 0.316 25515 1474 1 3 . 1 1 66 66 ILE N N 66 115.954 115.954 119.728 -3.774 25515 1475 1 3 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.661 -0.203 25515 1476 1 3 . 1 1 66 66 ILE C C 66 175.394 175.394 178.462 -3.068 25515 1477 1 3 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.480 0.128 25515 1478 1 3 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.248 1.741 25515 1479 1 3 . 1 1 66 66 ILE H H 66 7.358 7.358 8.026 -0.668 25515 1480 1 3 . 1 1 67 67 LEU N N 67 111.268 111.268 115.157 -3.889 25515 1481 1 3 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.050 -0.375 25515 1482 1 3 . 1 1 67 67 LEU C C 67 174.490 174.490 178.620 -4.130 25515 1483 1 3 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.379 0.188 25515 1484 1 3 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.180 1.874 25515 1485 1 3 . 1 1 67 67 LEU H H 67 7.743 7.743 7.667 0.076 25515 1486 1 3 . 1 1 68 68 THR N N 68 103.399 103.399 110.146 -6.747 25515 1487 1 3 . 1 1 68 68 THR HA H 68 4.023 4.023 4.273 -0.250 25515 1488 1 3 . 1 1 68 68 THR C C 68 178.796 178.796 173.533 5.263 25515 1489 1 3 . 1 1 68 68 THR CA C 68 61.672 61.672 61.323 0.349 25515 1490 1 3 . 1 1 68 68 THR CB C 68 69.052 69.052 68.867 0.185 25515 1491 1 3 . 1 1 68 68 THR H H 68 7.104 7.104 7.329 -0.225 25515 1492 1 3 . 1 1 69 69 ASP N N 69 125.057 125.057 121.506 3.551 25515 1493 1 3 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.707 -0.006 25515 1494 1 3 . 1 1 69 69 ASP C C 69 177.204 177.204 176.327 0.877 25515 1495 1 3 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.657 0.102 25515 1496 1 3 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.509 -0.758 25515 1497 1 3 . 1 1 69 69 ASP H H 69 7.076 7.076 7.407 -0.331 25515 1498 1 3 . 1 1 70 70 ALA N N 70 128.178 128.178 127.689 0.489 25515 1499 1 3 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.078 -0.181 25515 1500 1 3 . 1 1 70 70 ALA C C 70 171.909 171.909 178.973 -7.064 25515 1501 1 3 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.063 0.763 25515 1502 1 3 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.872 -0.398 25515 1503 1 3 . 1 1 70 70 ALA H H 70 8.761 8.761 8.659 0.102 25515 1504 1 3 . 1 1 71 71 THR N N 71 113.629 113.629 115.110 -1.481 25515 1505 1 3 . 1 1 71 71 THR HA H 71 3.981 3.981 4.087 -0.106 25515 1506 1 3 . 1 1 71 71 THR C C 71 175.038 175.038 176.728 -1.690 25515 1507 1 3 . 1 1 71 71 THR CA C 71 66.164 66.164 66.164 0.000 25515 1508 1 3 . 1 1 71 71 THR CB C 71 68.319 68.319 69.033 -0.714 25515 1509 1 3 . 1 1 71 71 THR H H 71 7.957 7.957 8.296 -0.339 25515 1510 1 3 . 1 1 72 72 LYS N N 72 122.501 122.501 120.638 1.863 25515 1511 1 3 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.160 -0.350 25515 1512 1 3 . 1 1 72 72 LYS C C 72 173.814 173.814 178.675 -4.861 25515 1513 1 3 . 1 1 72 72 LYS CA C 72 60.291 60.291 58.856 1.435 25515 1514 1 3 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.190 0.617 25515 1515 1 3 . 1 1 72 72 LYS H H 72 8.309 8.309 8.679 -0.370 25515 1516 1 3 . 1 1 73 73 ARG N N 73 120.595 120.595 118.220 2.375 25515 1517 1 3 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.253 -0.650 25515 1518 1 3 . 1 1 73 73 ARG C C 73 174.477 174.477 177.593 -3.116 25515 1519 1 3 . 1 1 73 73 ARG CA C 73 60.829 60.829 57.788 3.041 25515 1520 1 3 . 1 1 73 73 ARG H H 73 9.258 9.258 7.723 1.535 25515 1521 1 3 . 1 1 74 74 ASN N N 74 115.425 115.425 119.245 -3.820 25515 1522 1 3 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.576 -0.145 25515 1523 1 3 . 1 1 74 74 ASN C C 74 174.296 174.296 177.917 -3.621 25515 1524 1 3 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.681 0.029 25515 1525 1 3 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.481 0.249 25515 1526 1 3 . 1 1 74 74 ASN H H 74 7.534 7.534 7.753 -0.219 25515 1527 1 3 . 1 1 75 75 ILE N N 75 119.020 119.020 118.690 0.330 25515 1528 1 3 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.876 -0.243 25515 1529 1 3 . 1 1 75 75 ILE C C 75 174.667 174.667 177.247 -2.580 25515 1530 1 3 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.956 1.549 25515 1531 1 3 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.408 1.817 25515 1532 1 3 . 1 1 75 75 ILE H H 75 7.656 7.656 8.316 -0.660 25515 1533 1 3 . 1 1 76 76 TYR N N 76 121.913 121.913 121.939 -0.026 25515 1534 1 3 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.081 -0.066 25515 1535 1 3 . 1 1 76 76 TYR C C 76 173.323 173.323 177.200 -3.877 25515 1536 1 3 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.034 -0.487 25515 1537 1 3 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.258 0.495 25515 1538 1 3 . 1 1 76 76 TYR H H 76 8.894 8.894 7.991 0.903 25515 1539 1 3 . 1 1 77 77 ASP N N 77 120.151 120.151 117.061 3.090 25515 1540 1 3 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.261 0.076 25515 1541 1 3 . 1 1 77 77 ASP C C 77 174.321 174.321 177.560 -3.239 25515 1542 1 3 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.799 1.120 25515 1543 1 3 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.120 -1.135 25515 1544 1 3 . 1 1 77 77 ASP H H 77 9.151 9.151 7.898 1.253 25515 1545 1 3 . 1 1 78 78 LYS N N 78 117.659 117.659 119.133 -1.474 25515 1546 1 3 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.204 -0.277 25515 1547 1 3 . 1 1 78 78 LYS C C 78 174.237 174.237 177.185 -2.948 25515 1548 1 3 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.597 -0.184 25515 1549 1 3 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.018 0.624 25515 1550 1 3 . 1 1 78 78 LYS H H 78 7.378 7.378 7.704 -0.326 25515 1551 1 3 . 1 1 79 79 TYR N N 79 115.151 115.151 116.543 -1.392 25515 1552 1 3 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.581 0.040 25515 1553 1 3 . 1 1 79 79 TYR C C 79 175.424 175.424 176.707 -1.283 25515 1554 1 3 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.513 -2.940 25515 1555 1 3 . 1 1 79 79 TYR H H 79 8.505 8.505 8.352 0.153 25515 1556 1 3 . 1 1 80 80 GLY N N 80 110.813 110.813 107.400 3.413 25515 1557 1 3 . 1 1 80 80 GLY C C 80 177.481 177.481 174.194 3.287 25515 1558 1 3 . 1 1 80 80 GLY CA C 80 45.545 45.545 45.787 -0.242 25515 1559 1 3 . 1 1 80 80 GLY H H 80 8.222 8.222 8.307 -0.085 25515 1560 1 3 . 1 1 81 81 SER N N 81 117.578 117.578 115.416 2.162 25515 1561 1 3 . 1 1 81 81 SER C C 81 174.532 174.532 176.103 -1.571 25515 1562 1 3 . 1 1 81 81 SER CA C 81 61.579 61.579 58.959 2.620 25515 1563 1 3 . 1 1 81 81 SER H H 81 8.883 8.883 8.572 0.311 25515 1564 1 3 . 1 1 82 82 LEU N N 82 123.998 123.998 120.751 3.247 25515 1565 1 3 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.550 -0.279 25515 1566 1 3 . 1 1 82 82 LEU C C 82 173.400 173.400 178.331 -4.931 25515 1567 1 3 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.957 0.975 25515 1568 1 3 . 1 1 82 82 LEU CB C 82 41.387 41.387 42.079 -0.692 25515 1569 1 3 . 1 1 82 82 LEU H H 82 8.920 8.920 7.994 0.926 25515 1570 1 3 . 1 1 83 83 GLY N N 83 105.677 105.677 106.988 -1.311 25515 1571 1 3 . 1 1 83 83 GLY C C 83 177.230 177.230 176.334 0.896 25515 1572 1 3 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.654 -0.006 25515 1573 1 3 . 1 1 83 83 GLY H H 83 7.565 7.565 8.868 -1.303 25515 1574 1 3 . 1 1 84 84 LEU N N 84 119.542 119.542 121.568 -2.026 25515 1575 1 3 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.224 -0.165 25515 1576 1 3 . 1 1 84 84 LEU C C 84 173.036 173.036 177.887 -4.851 25515 1577 1 3 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.847 0.586 25515 1578 1 3 . 1 1 84 84 LEU H H 84 7.495 7.495 7.664 -0.169 25515 1579 1 3 . 1 1 85 85 TYR N N 85 121.424 121.424 118.052 3.372 25515 1580 1 3 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.381 -0.123 25515 1581 1 3 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.451 0.519 25515 1582 1 3 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.606 -0.298 25515 1583 1 3 . 1 1 85 85 TYR H H 85 7.894 7.894 7.908 -0.014 25515 1584 1 3 . 1 1 86 86 VAL N N 86 120.088 120.088 120.055 0.033 25515 1585 1 3 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.220 0.056 25515 1586 1 3 . 1 1 86 86 VAL C C 86 174.300 174.300 177.383 -3.083 25515 1587 1 3 . 1 1 86 86 VAL CA C 86 66.309 66.309 63.977 2.332 25515 1588 1 3 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.111 0.563 25515 1589 1 3 . 1 1 86 86 VAL H H 86 8.402 8.402 8.170 0.232 25515 1590 1 3 . 1 1 87 87 ALA N N 87 121.800 121.800 121.858 -0.058 25515 1591 1 3 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.091 -0.354 25515 1592 1 3 . 1 1 87 87 ALA C C 87 172.312 172.312 179.666 -7.354 25515 1593 1 3 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.241 -0.798 25515 1594 1 3 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.472 -0.071 25515 1595 1 3 . 1 1 87 87 ALA H H 87 8.317 8.317 7.745 0.572 25515 1596 1 3 . 1 1 88 88 GLU N N 88 118.012 118.012 116.580 1.432 25515 1597 1 3 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.220 -0.345 25515 1598 1 3 . 1 1 88 88 GLU C C 88 174.071 174.071 178.387 -4.316 25515 1599 1 3 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.022 0.744 25515 1600 1 3 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.738 -0.189 25515 1601 1 3 . 1 1 88 88 GLU H H 88 7.777 7.777 7.948 -0.171 25515 1602 1 3 . 1 1 89 89 GLN N N 89 116.164 116.164 117.123 -0.959 25515 1603 1 3 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.135 -0.424 25515 1604 1 3 . 1 1 89 89 GLN C C 89 174.572 174.572 176.797 -2.225 25515 1605 1 3 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.661 -0.616 25515 1606 1 3 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.536 -0.872 25515 1607 1 3 . 1 1 89 89 GLN H H 89 7.704 7.704 7.662 0.042 25515 1608 1 3 . 1 1 90 90 PHE N N 90 114.734 114.734 116.577 -1.843 25515 1609 1 3 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.609 0.101 25515 1610 1 3 . 1 1 90 90 PHE C C 90 175.715 175.715 175.361 0.354 25515 1611 1 3 . 1 1 90 90 PHE CA C 90 57.405 57.405 58.694 -1.289 25515 1612 1 3 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.840 -0.637 25515 1613 1 3 . 1 1 90 90 PHE H H 90 8.241 8.241 8.162 0.079 25515 1614 1 3 . 1 1 91 91 GLY N N 91 111.234 111.234 108.341 2.893 25515 1615 1 3 . 1 1 91 91 GLY C C 91 176.788 176.788 174.433 2.355 25515 1616 1 3 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.805 0.365 25515 1617 1 3 . 1 1 91 91 GLY H H 91 7.668 7.668 7.612 0.056 25515 1618 1 3 . 1 1 92 92 GLU N N 92 123.392 123.392 125.102 -1.710 25515 1619 1 3 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.873 -0.031 25515 1620 1 3 . 1 1 92 92 GLU C C 92 174.798 174.798 177.899 -3.101 25515 1621 1 3 . 1 1 92 92 GLU CA C 92 59.258 59.258 60.004 -0.746 25515 1622 1 3 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.700 -0.082 25515 1623 1 3 . 1 1 92 92 GLU H H 92 8.793 8.793 8.607 0.186 25515 1624 1 3 . 1 1 93 93 GLU N N 93 118.621 118.621 116.363 2.258 25515 1625 1 3 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.153 0.032 25515 1626 1 3 . 1 1 93 93 GLU C C 93 175.143 175.143 177.746 -2.603 25515 1627 1 3 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.212 -0.327 25515 1628 1 3 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.104 -0.037 25515 1629 1 3 . 1 1 93 93 GLU H H 93 9.356 9.356 8.739 0.617 25515 1630 1 3 . 1 1 94 94 ASN N N 94 116.563 116.563 118.592 -2.029 25515 1631 1 3 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.775 0.136 25515 1632 1 3 . 1 1 94 94 ASN C C 94 176.192 176.192 177.830 -1.638 25515 1633 1 3 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.649 -1.338 25515 1634 1 3 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.277 0.467 25515 1635 1 3 . 1 1 94 94 ASN H H 94 7.881 7.881 7.833 0.048 25515 1636 1 3 . 1 1 95 95 VAL N N 95 119.858 119.858 117.975 1.883 25515 1637 1 3 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.681 0.059 25515 1638 1 3 . 1 1 95 95 VAL C C 95 175.715 175.715 176.966 -1.251 25515 1639 1 3 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.957 -1.458 25515 1640 1 3 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.342 0.624 25515 1641 1 3 . 1 1 95 95 VAL H H 95 7.405 7.405 8.674 -1.269 25515 1642 1 3 . 1 1 96 96 ASN N N 96 116.409 116.409 117.085 -0.676 25515 1643 1 3 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.568 -0.110 25515 1644 1 3 . 1 1 96 96 ASN C C 96 175.322 175.322 176.960 -1.638 25515 1645 1 3 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.836 -0.118 25515 1646 1 3 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.332 -0.116 25515 1647 1 3 . 1 1 96 96 ASN H H 96 8.356 8.356 8.139 0.217 25515 1648 1 3 . 1 1 97 97 THR N N 97 111.266 111.266 113.881 -2.615 25515 1649 1 3 . 1 1 97 97 THR HA H 97 3.993 3.993 4.195 -0.202 25515 1650 1 3 . 1 1 97 97 THR C C 97 177.418 177.418 175.796 1.622 25515 1651 1 3 . 1 1 97 97 THR CA C 97 63.604 63.604 65.607 -2.003 25515 1652 1 3 . 1 1 97 97 THR CB C 97 69.162 69.162 69.126 0.036 25515 1653 1 3 . 1 1 97 97 THR H H 97 7.575 7.575 8.475 -0.900 25515 1654 1 3 . 1 1 98 98 TYR N N 98 119.963 119.963 120.236 -0.273 25515 1655 1 3 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.314 0.008 25515 1656 1 3 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.082 0.116 25515 1657 1 3 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.519 -0.275 25515 1658 1 3 . 1 1 98 98 TYR H H 98 7.480 7.480 7.846 -0.366 25515 1659 1 3 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.397 0.163 25515 1660 1 3 . 1 1 99 99 PHE C C 99 177.317 177.317 175.685 1.632 25515 1661 1 3 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.594 0.398 25515 1662 1 3 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.363 0.279 25515 1663 1 4 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.652 -0.361 25515 1664 1 4 . 1 1 2 2 ALA C C 2 175.019 175.019 176.413 -1.394 25515 1665 1 4 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.107 1.464 25515 1666 1 4 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.769 -0.650 25515 1667 1 4 . 1 1 3 3 ASP N N 3 120.192 120.192 121.710 -1.518 25515 1668 1 4 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.745 -0.260 25515 1669 1 4 . 1 1 3 3 ASP C C 3 175.549 175.549 175.133 0.416 25515 1670 1 4 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.556 0.696 25515 1671 1 4 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.148 -0.916 25515 1672 1 4 . 1 1 3 3 ASP H H 3 8.336 8.336 8.351 -0.015 25515 1673 1 4 . 1 1 4 4 GLN N N 4 121.286 121.286 116.813 4.473 25515 1674 1 4 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.417 -0.215 25515 1675 1 4 . 1 1 4 4 GLN C C 4 175.579 175.579 175.431 0.148 25515 1676 1 4 . 1 1 4 4 GLN CA C 4 56.326 56.326 54.815 1.511 25515 1677 1 4 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.403 -1.286 25515 1678 1 4 . 1 1 4 4 GLN H H 4 8.404 8.404 7.957 0.447 25515 1679 1 4 . 1 1 5 5 ARG N N 5 121.138 121.138 118.731 2.407 25515 1680 1 4 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.070 0.094 25515 1681 1 4 . 1 1 5 5 ARG C C 5 175.327 175.327 176.970 -1.643 25515 1682 1 4 . 1 1 5 5 ARG CA C 5 56.776 56.776 58.227 -1.451 25515 1683 1 4 . 1 1 5 5 ARG CB C 5 30.511 30.511 29.942 0.569 25515 1684 1 4 . 1 1 5 5 ARG H H 5 8.281 8.281 8.759 -0.478 25515 1685 1 4 . 1 1 6 6 GLN N N 6 120.348 120.348 118.918 1.430 25515 1686 1 4 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.424 -0.235 25515 1687 1 4 . 1 1 6 6 GLN C C 6 175.838 175.838 176.365 -0.527 25515 1688 1 4 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.169 1.039 25515 1689 1 4 . 1 1 6 6 GLN CB C 6 29.131 29.131 27.863 1.268 25515 1690 1 4 . 1 1 6 6 GLN H H 6 8.253 8.253 8.388 -0.135 25515 1691 1 4 . 1 1 7 7 ARG N N 7 121.761 121.761 121.584 0.177 25515 1692 1 4 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.119 0.122 25515 1693 1 4 . 1 1 7 7 ARG C C 7 175.708 175.708 177.460 -1.752 25515 1694 1 4 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.977 -2.641 25515 1695 1 4 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.076 0.695 25515 1696 1 4 . 1 1 7 7 ARG H H 7 8.211 8.211 7.518 0.693 25515 1697 1 4 . 1 1 8 8 SER N N 8 116.450 116.450 113.647 2.803 25515 1698 1 4 . 1 1 8 8 SER HA H 8 4.384 4.384 4.573 -0.189 25515 1699 1 4 . 1 1 8 8 SER C C 8 177.569 177.569 175.692 1.877 25515 1700 1 4 . 1 1 8 8 SER CA C 8 58.298 58.298 60.323 -2.025 25515 1701 1 4 . 1 1 8 8 SER CB C 8 63.786 63.786 62.737 1.049 25515 1702 1 4 . 1 1 8 8 SER H H 8 8.220 8.220 8.242 -0.022 25515 1703 1 4 . 1 1 9 9 LEU N N 9 123.709 123.709 116.924 6.785 25515 1704 1 4 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.249 0.105 25515 1705 1 4 . 1 1 9 9 LEU C C 9 174.915 174.915 177.760 -2.845 25515 1706 1 4 . 1 1 9 9 LEU CA C 9 54.976 54.976 57.190 -2.214 25515 1707 1 4 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.435 1.243 25515 1708 1 4 . 1 1 9 9 LEU H H 9 8.091 8.091 8.215 -0.124 25515 1709 1 4 . 1 1 10 10 SER N N 10 115.478 115.478 114.306 1.172 25515 1710 1 4 . 1 1 10 10 SER HA H 10 4.561 4.561 4.550 0.011 25515 1711 1 4 . 1 1 10 10 SER C C 10 177.096 177.096 175.151 1.945 25515 1712 1 4 . 1 1 10 10 SER CA C 10 58.016 58.016 60.057 -2.041 25515 1713 1 4 . 1 1 10 10 SER CB C 10 64.062 64.062 64.594 -0.532 25515 1714 1 4 . 1 1 10 10 SER H H 10 8.187 8.187 7.993 0.194 25515 1715 1 4 . 1 1 11 11 THR N N 11 114.393 114.393 115.313 -0.920 25515 1716 1 4 . 1 1 11 11 THR HA H 11 4.516 4.516 4.586 -0.070 25515 1717 1 4 . 1 1 11 11 THR C C 11 177.232 177.232 174.094 3.138 25515 1718 1 4 . 1 1 11 11 THR CA C 11 61.740 61.740 61.041 0.699 25515 1719 1 4 . 1 1 11 11 THR CB C 11 69.478 69.478 70.486 -1.008 25515 1720 1 4 . 1 1 11 11 THR H H 11 8.180 8.180 8.124 0.056 25515 1721 1 4 . 1 1 12 12 SER N N 12 117.125 117.125 121.964 -4.839 25515 1722 1 4 . 1 1 12 12 SER HA H 12 4.391 4.391 4.421 -0.030 25515 1723 1 4 . 1 1 12 12 SER C C 12 176.856 176.856 175.127 1.729 25515 1724 1 4 . 1 1 12 12 SER CA C 12 58.537 58.537 59.264 -0.727 25515 1725 1 4 . 1 1 12 12 SER CB C 12 63.915 63.915 63.374 0.541 25515 1726 1 4 . 1 1 12 12 SER H H 12 8.171 8.171 8.913 -0.742 25515 1727 1 4 . 1 1 13 13 GLY N N 13 111.544 111.544 106.822 4.722 25515 1728 1 4 . 1 1 13 13 GLY C C 13 178.243 178.243 172.857 5.386 25515 1729 1 4 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.333 0.147 25515 1730 1 4 . 1 1 13 13 GLY H H 13 8.381 8.381 8.447 -0.066 25515 1731 1 4 . 1 1 14 14 GLU N N 14 119.223 119.223 120.578 -1.355 25515 1732 1 4 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.835 -0.395 25515 1733 1 4 . 1 1 14 14 GLU C C 14 174.876 174.876 175.913 -1.037 25515 1734 1 4 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.099 1.325 25515 1735 1 4 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.069 -0.091 25515 1736 1 4 . 1 1 14 14 GLU H H 14 8.149 8.149 7.928 0.221 25515 1737 1 4 . 1 1 15 15 SER N N 15 117.752 117.752 120.004 -2.252 25515 1738 1 4 . 1 1 15 15 SER H H 15 8.437 8.437 8.999 -0.562 25515 1739 1 4 . 1 1 16 16 LEU N N 16 121.072 121.072 122.291 -1.219 25515 1740 1 4 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.248 -0.387 25515 1741 1 4 . 1 1 16 16 LEU C C 16 174.423 174.423 178.777 -4.354 25515 1742 1 4 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.075 0.350 25515 1743 1 4 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.299 0.377 25515 1744 1 4 . 1 1 16 16 LEU H H 16 8.233 8.233 8.472 -0.239 25515 1745 1 4 . 1 1 17 17 TYR N N 17 111.961 111.961 116.095 -4.134 25515 1746 1 4 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.164 -0.502 25515 1747 1 4 . 1 1 17 17 TYR C C 17 173.256 173.256 178.300 -5.044 25515 1748 1 4 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.957 -0.091 25515 1749 1 4 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.321 0.086 25515 1750 1 4 . 1 1 17 17 TYR H H 17 6.929 6.929 8.159 -1.230 25515 1751 1 4 . 1 1 18 18 HIS N N 18 119.254 119.254 116.777 2.477 25515 1752 1 4 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.507 -0.068 25515 1753 1 4 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.642 0.272 25515 1754 1 4 . 1 1 18 18 HIS CB C 18 29.615 29.615 29.940 -0.325 25515 1755 1 4 . 1 1 18 18 HIS H H 18 7.672 7.672 8.409 -0.737 25515 1756 1 4 . 1 1 19 19 VAL N N 19 120.746 120.746 117.677 3.069 25515 1757 1 4 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.967 -0.262 25515 1758 1 4 . 1 1 19 19 VAL C C 19 175.643 175.643 176.888 -1.245 25515 1759 1 4 . 1 1 19 19 VAL CA C 19 65.533 65.533 64.900 0.633 25515 1760 1 4 . 1 1 19 19 VAL CB C 19 31.465 31.465 32.368 -0.903 25515 1761 1 4 . 1 1 19 19 VAL H H 19 7.883 7.883 7.636 0.247 25515 1762 1 4 . 1 1 20 20 LEU N N 20 114.576 114.576 117.236 -2.660 25515 1763 1 4 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.381 -0.020 25515 1764 1 4 . 1 1 20 20 LEU C C 20 175.746 175.746 176.983 -1.237 25515 1765 1 4 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.651 -1.370 25515 1766 1 4 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.251 0.649 25515 1767 1 4 . 1 1 20 20 LEU H H 20 6.626 6.626 7.410 -0.784 25515 1768 1 4 . 1 1 21 21 GLY N N 21 109.239 109.239 106.888 2.351 25515 1769 1 4 . 1 1 21 21 GLY C C 21 177.637 177.637 174.651 2.986 25515 1770 1 4 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.993 0.290 25515 1771 1 4 . 1 1 21 21 GLY H H 21 7.991 7.991 7.545 0.446 25515 1772 1 4 . 1 1 22 22 LEU N N 22 119.495 119.495 116.396 3.099 25515 1773 1 4 . 1 1 22 22 LEU HA H 22 4.767 4.767 5.005 -0.238 25515 1774 1 4 . 1 1 22 22 LEU C C 22 177.306 177.306 175.881 1.425 25515 1775 1 4 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.119 -0.237 25515 1776 1 4 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.438 2.469 25515 1777 1 4 . 1 1 22 22 LEU H H 22 7.765 7.765 7.599 0.166 25515 1778 1 4 . 1 1 23 23 ASP N N 23 118.518 118.518 118.746 -0.228 25515 1779 1 4 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.698 -0.109 25515 1780 1 4 . 1 1 23 23 ASP C C 23 176.597 176.597 177.273 -0.676 25515 1781 1 4 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.169 -1.138 25515 1782 1 4 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.621 0.860 25515 1783 1 4 . 1 1 23 23 ASP H H 23 7.977 7.977 8.359 -0.382 25515 1784 1 4 . 1 1 24 24 LYS N N 24 115.499 115.499 119.101 -3.602 25515 1785 1 4 . 1 1 24 24 LYS HA H 24 2.152 2.152 2.992 -0.840 25515 1786 1 4 . 1 1 24 24 LYS C C 24 176.231 176.231 175.336 0.895 25515 1787 1 4 . 1 1 24 24 LYS CA C 24 57.067 57.067 56.775 0.292 25515 1788 1 4 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.685 0.677 25515 1789 1 4 . 1 1 24 24 LYS H H 24 7.811 7.811 8.436 -0.625 25515 1790 1 4 . 1 1 25 25 ASN N N 25 115.622 115.622 115.273 0.349 25515 1791 1 4 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.725 -0.200 25515 1792 1 4 . 1 1 25 25 ASN C C 25 176.698 176.698 174.848 1.850 25515 1793 1 4 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.669 0.204 25515 1794 1 4 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.170 -1.096 25515 1795 1 4 . 1 1 25 25 ASN H H 25 7.817 7.817 7.776 0.041 25515 1796 1 4 . 1 1 26 26 ALA N N 26 122.970 122.970 124.773 -1.803 25515 1797 1 4 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.405 -0.046 25515 1798 1 4 . 1 1 26 26 ALA C C 26 173.847 173.847 176.736 -2.889 25515 1799 1 4 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.705 0.212 25515 1800 1 4 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.866 1.101 25515 1801 1 4 . 1 1 26 26 ALA H H 26 7.646 7.646 7.339 0.307 25515 1802 1 4 . 1 1 27 27 THR N N 27 113.252 113.252 114.273 -1.021 25515 1803 1 4 . 1 1 27 27 THR HA H 27 4.657 4.657 4.403 0.254 25515 1804 1 4 . 1 1 27 27 THR C C 27 175.986 175.986 176.201 -0.215 25515 1805 1 4 . 1 1 27 27 THR CA C 27 60.427 60.427 61.110 -0.683 25515 1806 1 4 . 1 1 27 27 THR CB C 27 71.702 71.702 71.388 0.314 25515 1807 1 4 . 1 1 27 27 THR H H 27 9.089 9.089 8.202 0.887 25515 1808 1 4 . 1 1 28 28 SER N N 28 115.961 115.961 119.076 -3.115 25515 1809 1 4 . 1 1 28 28 SER HA H 28 3.930 3.930 4.076 -0.146 25515 1810 1 4 . 1 1 28 28 SER C C 28 175.440 175.440 175.957 -0.517 25515 1811 1 4 . 1 1 28 28 SER CA C 28 62.515 62.515 62.122 0.393 25515 1812 1 4 . 1 1 28 28 SER CB C 28 62.713 62.713 63.267 -0.554 25515 1813 1 4 . 1 1 28 28 SER H H 28 9.095 9.095 8.820 0.275 25515 1814 1 4 . 1 1 29 29 ASP N N 29 119.797 119.797 119.865 -0.068 25515 1815 1 4 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.375 0.028 25515 1816 1 4 . 1 1 29 29 ASP C C 29 173.862 173.862 178.063 -4.201 25515 1817 1 4 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.100 0.683 25515 1818 1 4 . 1 1 29 29 ASP CB C 29 41.051 41.051 41.000 0.051 25515 1819 1 4 . 1 1 29 29 ASP H H 29 8.122 8.122 7.878 0.244 25515 1820 1 4 . 1 1 30 30 ASP N N 30 120.847 120.847 119.332 1.515 25515 1821 1 4 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.604 -0.257 25515 1822 1 4 . 1 1 30 30 ASP C C 30 172.627 172.627 178.794 -6.167 25515 1823 1 4 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.818 0.871 25515 1824 1 4 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.102 -0.120 25515 1825 1 4 . 1 1 30 30 ASP H H 30 7.851 7.851 7.768 0.083 25515 1826 1 4 . 1 1 31 31 ILE N N 31 121.776 121.776 121.155 0.621 25515 1827 1 4 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.651 -0.135 25515 1828 1 4 . 1 1 31 31 ILE C C 31 174.709 174.709 178.097 -3.388 25515 1829 1 4 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.375 0.111 25515 1830 1 4 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.912 0.329 25515 1831 1 4 . 1 1 31 31 ILE H H 31 8.122 8.122 8.044 0.078 25515 1832 1 4 . 1 1 32 32 LYS N N 32 119.510 119.510 119.786 -0.276 25515 1833 1 4 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.331 -0.254 25515 1834 1 4 . 1 1 32 32 LYS C C 32 172.959 172.959 179.316 -6.357 25515 1835 1 4 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.308 2.527 25515 1836 1 4 . 1 1 32 32 LYS CB C 32 32.504 32.504 31.948 0.556 25515 1837 1 4 . 1 1 32 32 LYS H H 32 8.172 8.172 8.164 0.008 25515 1838 1 4 . 1 1 33 33 LYS N N 33 119.042 119.042 120.588 -1.546 25515 1839 1 4 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.044 -0.076 25515 1840 1 4 . 1 1 33 33 LYS C C 33 172.323 172.323 179.218 -6.895 25515 1841 1 4 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.686 0.320 25515 1842 1 4 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.307 0.406 25515 1843 1 4 . 1 1 33 33 LYS H H 33 8.342 8.342 7.907 0.435 25515 1844 1 4 . 1 1 34 34 SER N N 34 115.060 115.060 115.375 -0.315 25515 1845 1 4 . 1 1 34 34 SER HA H 34 4.260 4.260 4.152 0.108 25515 1846 1 4 . 1 1 34 34 SER C C 34 175.503 175.503 176.302 -0.799 25515 1847 1 4 . 1 1 34 34 SER CA C 34 61.734 61.734 62.032 -0.298 25515 1848 1 4 . 1 1 34 34 SER CB C 34 63.088 63.088 63.105 -0.016 25515 1849 1 4 . 1 1 34 34 SER H H 34 8.161 8.161 8.290 -0.129 25515 1850 1 4 . 1 1 35 35 TYR N N 35 119.241 119.241 122.315 -3.074 25515 1851 1 4 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.162 -0.288 25515 1852 1 4 . 1 1 35 35 TYR C C 35 176.352 176.352 176.917 -0.565 25515 1853 1 4 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.552 0.317 25515 1854 1 4 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.499 0.291 25515 1855 1 4 . 1 1 35 35 TYR H H 35 8.499 8.499 7.885 0.614 25515 1856 1 4 . 1 1 36 36 ARG N N 36 116.674 116.674 118.048 -1.374 25515 1857 1 4 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.637 -0.184 25515 1858 1 4 . 1 1 36 36 ARG C C 36 173.135 173.135 178.450 -5.315 25515 1859 1 4 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.601 1.009 25515 1860 1 4 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.443 0.436 25515 1861 1 4 . 1 1 36 36 ARG H H 36 7.967 7.967 7.946 0.021 25515 1862 1 4 . 1 1 37 37 LYS N N 37 116.974 116.974 118.806 -1.832 25515 1863 1 4 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.992 -0.022 25515 1864 1 4 . 1 1 37 37 LYS C C 37 172.489 172.489 179.611 -7.122 25515 1865 1 4 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.104 0.273 25515 1866 1 4 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.030 0.727 25515 1867 1 4 . 1 1 37 37 LYS H H 37 7.275 7.275 7.769 -0.494 25515 1868 1 4 . 1 1 38 38 LEU N N 38 120.978 120.978 118.863 2.115 25515 1869 1 4 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.319 -0.296 25515 1870 1 4 . 1 1 38 38 LEU C C 38 173.557 173.557 178.354 -4.797 25515 1871 1 4 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.384 1.020 25515 1872 1 4 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.047 0.321 25515 1873 1 4 . 1 1 38 38 LEU H H 38 8.268 8.268 7.641 0.627 25515 1874 1 4 . 1 1 39 39 ALA N N 39 122.700 122.700 122.931 -0.231 25515 1875 1 4 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.390 0.495 25515 1876 1 4 . 1 1 39 39 ALA C C 39 172.721 172.721 178.952 -6.231 25515 1877 1 4 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.126 0.314 25515 1878 1 4 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.144 -1.194 25515 1879 1 4 . 1 1 39 39 ALA H H 39 9.043 9.043 8.080 0.963 25515 1880 1 4 . 1 1 40 40 LEU N N 40 114.462 114.462 113.721 0.741 25515 1881 1 4 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.996 0.036 25515 1882 1 4 . 1 1 40 40 LEU C C 40 173.110 173.110 179.156 -6.046 25515 1883 1 4 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.645 0.663 25515 1884 1 4 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.160 1.873 25515 1885 1 4 . 1 1 40 40 LEU H H 40 6.862 6.862 7.452 -0.590 25515 1886 1 4 . 1 1 41 41 LYS N N 41 118.126 118.126 121.522 -3.396 25515 1887 1 4 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.781 0.061 25515 1888 1 4 . 1 1 41 41 LYS C C 41 173.695 173.695 177.574 -3.879 25515 1889 1 4 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.923 -0.181 25515 1890 1 4 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.319 0.668 25515 1891 1 4 . 1 1 41 41 LYS H H 41 7.135 7.135 7.561 -0.426 25515 1892 1 4 . 1 1 42 42 TYR N N 42 113.902 113.902 113.852 0.050 25515 1893 1 4 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.517 -0.027 25515 1894 1 4 . 1 1 42 42 TYR C C 42 178.884 178.884 174.363 4.521 25515 1895 1 4 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.156 0.857 25515 1896 1 4 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.450 0.060 25515 1897 1 4 . 1 1 42 42 TYR H H 42 7.756 7.756 7.762 -0.006 25515 1898 1 4 . 1 1 43 43 HIS N N 43 120.909 120.909 122.433 -1.524 25515 1899 1 4 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.337 -0.865 25515 1900 1 4 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.353 0.546 25515 1901 1 4 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.386 -0.261 25515 1902 1 4 . 1 1 43 43 HIS H H 43 7.134 7.134 7.274 -0.140 25515 1903 1 4 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.102 -0.104 25515 1904 1 4 . 1 1 44 44 PRO C C 44 172.774 172.774 178.413 -5.639 25515 1905 1 4 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.887 -0.282 25515 1906 1 4 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.559 0.051 25515 1907 1 4 . 1 1 45 45 ASP N N 45 121.379 121.379 116.472 4.907 25515 1908 1 4 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.417 -0.060 25515 1909 1 4 . 1 1 45 45 ASP C C 45 173.968 173.968 176.874 -2.906 25515 1910 1 4 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.637 1.134 25515 1911 1 4 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.463 -0.340 25515 1912 1 4 . 1 1 45 45 ASP H H 45 10.727 10.727 8.353 2.374 25515 1913 1 4 . 1 1 46 46 LYS N N 46 115.902 115.902 117.442 -1.540 25515 1914 1 4 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.326 0.032 25515 1915 1 4 . 1 1 46 46 LYS C C 46 176.450 176.450 176.430 0.020 25515 1916 1 4 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.323 -1.549 25515 1917 1 4 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.373 0.816 25515 1918 1 4 . 1 1 46 46 LYS H H 46 7.475 7.475 8.071 -0.596 25515 1919 1 4 . 1 1 47 47 ASN N N 47 117.709 117.709 119.517 -1.808 25515 1920 1 4 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.131 0.019 25515 1921 1 4 . 1 1 47 47 ASN C C 47 170.657 170.657 173.144 -2.487 25515 1922 1 4 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.467 0.073 25515 1923 1 4 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.635 1.921 25515 1924 1 4 . 1 1 47 47 ASN H H 47 7.410 7.410 7.477 -0.067 25515 1925 1 4 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.616 -0.250 25515 1926 1 4 . 1 1 48 48 PRO C C 48 174.739 174.739 176.206 -1.467 25515 1927 1 4 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.246 1.866 25515 1928 1 4 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.618 -1.094 25515 1929 1 4 . 1 1 49 49 ASP N N 49 117.619 117.619 117.164 0.455 25515 1930 1 4 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.487 -0.110 25515 1931 1 4 . 1 1 49 49 ASP C C 49 177.335 177.335 176.186 1.149 25515 1932 1 4 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.253 -0.668 25515 1933 1 4 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.972 -0.718 25515 1934 1 4 . 1 1 49 49 ASP H H 49 8.679 8.679 8.310 0.369 25515 1935 1 4 . 1 1 50 50 ASN N N 50 114.537 114.537 118.136 -3.599 25515 1936 1 4 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.723 0.477 25515 1937 1 4 . 1 1 50 50 ASN C C 50 178.245 178.245 174.400 3.845 25515 1938 1 4 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.219 -2.084 25515 1939 1 4 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.712 0.864 25515 1940 1 4 . 1 1 50 50 ASN H H 50 7.341 7.341 8.246 -0.905 25515 1941 1 4 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.588 -0.224 25515 1942 1 4 . 1 1 51 51 PRO C C 51 173.714 173.714 177.581 -3.867 25515 1943 1 4 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.217 1.401 25515 1944 1 4 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.994 0.107 25515 1945 1 4 . 1 1 52 52 GLU N N 52 118.597 118.597 121.364 -2.767 25515 1946 1 4 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.106 0.082 25515 1947 1 4 . 1 1 52 52 GLU C C 52 173.216 173.216 177.730 -4.514 25515 1948 1 4 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.221 -1.272 25515 1949 1 4 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.385 -0.186 25515 1950 1 4 . 1 1 52 52 GLU H H 52 8.048 8.048 8.768 -0.720 25515 1951 1 4 . 1 1 53 53 ALA N N 53 122.149 122.149 121.242 0.907 25515 1952 1 4 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.320 -0.346 25515 1953 1 4 . 1 1 53 53 ALA C C 53 173.485 173.485 179.459 -5.974 25515 1954 1 4 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.038 0.032 25515 1955 1 4 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.141 -0.364 25515 1956 1 4 . 1 1 53 53 ALA H H 53 7.606 7.606 8.231 -0.625 25515 1957 1 4 . 1 1 54 54 ALA N N 54 119.475 119.475 121.388 -1.913 25515 1958 1 4 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.194 0.033 25515 1959 1 4 . 1 1 54 54 ALA C C 54 171.125 171.125 179.273 -8.148 25515 1960 1 4 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.783 0.388 25515 1961 1 4 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.619 -0.772 25515 1962 1 4 . 1 1 54 54 ALA H H 54 7.680 7.680 8.163 -0.483 25515 1963 1 4 . 1 1 55 55 ASP N N 55 120.134 120.134 119.078 1.056 25515 1964 1 4 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.364 0.057 25515 1965 1 4 . 1 1 55 55 ASP C C 55 173.088 173.088 178.655 -5.567 25515 1966 1 4 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.647 -0.241 25515 1967 1 4 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.964 -0.635 25515 1968 1 4 . 1 1 55 55 ASP H H 55 7.983 7.983 8.187 -0.204 25515 1969 1 4 . 1 1 56 56 LYS N N 56 120.915 120.915 119.873 1.042 25515 1970 1 4 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.881 0.029 25515 1971 1 4 . 1 1 56 56 LYS C C 56 173.210 173.210 178.806 -5.596 25515 1972 1 4 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.839 -0.358 25515 1973 1 4 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.631 -0.723 25515 1974 1 4 . 1 1 56 56 LYS H H 56 7.758 7.758 8.100 -0.342 25515 1975 1 4 . 1 1 57 57 PHE N N 57 120.024 120.024 120.169 -0.145 25515 1976 1 4 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.104 -0.099 25515 1977 1 4 . 1 1 57 57 PHE C C 57 174.430 174.430 177.319 -2.889 25515 1978 1 4 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.428 2.112 25515 1979 1 4 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.430 0.658 25515 1980 1 4 . 1 1 57 57 PHE H H 57 8.861 8.861 8.426 0.435 25515 1981 1 4 . 1 1 58 58 LYS N N 58 119.306 119.306 119.767 -0.461 25515 1982 1 4 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.752 0.201 25515 1983 1 4 . 1 1 58 58 LYS C C 58 172.875 172.875 178.655 -5.780 25515 1984 1 4 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.113 -0.252 25515 1985 1 4 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.406 -0.097 25515 1986 1 4 . 1 1 58 58 LYS H H 58 7.846 7.846 8.252 -0.406 25515 1987 1 4 . 1 1 59 59 GLU N N 59 119.732 119.732 117.811 1.921 25515 1988 1 4 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.167 -0.118 25515 1989 1 4 . 1 1 59 59 GLU C C 59 171.935 171.935 179.223 -7.288 25515 1990 1 4 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.013 0.460 25515 1991 1 4 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.281 0.546 25515 1992 1 4 . 1 1 59 59 GLU H H 59 7.732 7.732 8.174 -0.442 25515 1993 1 4 . 1 1 60 60 ILE N N 60 119.074 119.074 121.856 -2.782 25515 1994 1 4 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.701 -0.013 25515 1995 1 4 . 1 1 60 60 ILE C C 60 174.424 174.424 178.181 -3.757 25515 1996 1 4 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.179 -0.905 25515 1997 1 4 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.816 0.631 25515 1998 1 4 . 1 1 60 60 ILE H H 60 8.429 8.429 8.394 0.035 25515 1999 1 4 . 1 1 61 61 ASN N N 61 120.038 120.038 117.848 2.190 25515 2000 1 4 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.440 -0.139 25515 2001 1 4 . 1 1 61 61 ASN C C 61 174.271 174.271 177.662 -3.391 25515 2002 1 4 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.270 0.286 25515 2003 1 4 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.405 -0.122 25515 2004 1 4 . 1 1 61 61 ASN H H 61 8.025 8.025 8.714 -0.689 25515 2005 1 4 . 1 1 62 62 ASN N N 62 119.502 119.502 118.907 0.595 25515 2006 1 4 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.515 -0.205 25515 2007 1 4 . 1 1 62 62 ASN C C 62 176.042 176.042 177.331 -1.289 25515 2008 1 4 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.947 0.601 25515 2009 1 4 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.417 0.304 25515 2010 1 4 . 1 1 62 62 ASN H H 62 8.042 8.042 8.078 -0.036 25515 2011 1 4 . 1 1 63 63 ALA N N 63 119.769 119.769 122.085 -2.316 25515 2012 1 4 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.856 -0.170 25515 2013 1 4 . 1 1 63 63 ALA C C 63 173.564 173.564 179.505 -5.941 25515 2014 1 4 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.953 0.587 25515 2015 1 4 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.049 0.457 25515 2016 1 4 . 1 1 63 63 ALA H H 63 7.944 7.944 8.388 -0.444 25515 2017 1 4 . 1 1 64 64 HIS N N 64 115.292 115.292 118.807 -3.515 25515 2018 1 4 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.119 -0.592 25515 2019 1 4 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.443 0.941 25515 2020 1 4 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.532 0.403 25515 2021 1 4 . 1 1 64 64 HIS H H 64 8.055 8.055 8.415 -0.360 25515 2022 1 4 . 1 1 65 65 ALA N N 65 122.093 122.093 120.606 1.487 25515 2023 1 4 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.888 -0.382 25515 2024 1 4 . 1 1 65 65 ALA C C 65 172.454 172.454 178.747 -6.293 25515 2025 1 4 . 1 1 65 65 ALA CA C 65 54.991 54.991 54.221 0.770 25515 2026 1 4 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.330 -1.192 25515 2027 1 4 . 1 1 65 65 ALA H H 65 7.944 7.944 7.971 -0.027 25515 2028 1 4 . 1 1 66 66 ILE N N 66 115.954 115.954 118.988 -3.034 25515 2029 1 4 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.631 -0.173 25515 2030 1 4 . 1 1 66 66 ILE C C 66 175.394 175.394 178.437 -3.043 25515 2031 1 4 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.670 -0.062 25515 2032 1 4 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.232 1.757 25515 2033 1 4 . 1 1 66 66 ILE H H 66 7.358 7.358 8.237 -0.879 25515 2034 1 4 . 1 1 67 67 LEU N N 67 111.268 111.268 117.831 -6.563 25515 2035 1 4 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.913 -0.238 25515 2036 1 4 . 1 1 67 67 LEU C C 67 174.490 174.490 179.079 -4.589 25515 2037 1 4 . 1 1 67 67 LEU CA C 67 56.567 56.567 57.215 -0.648 25515 2038 1 4 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.897 2.157 25515 2039 1 4 . 1 1 67 67 LEU H H 67 7.743 7.743 7.635 0.108 25515 2040 1 4 . 1 1 68 68 THR N N 68 103.399 103.399 107.647 -4.248 25515 2041 1 4 . 1 1 68 68 THR HA H 68 4.023 4.023 4.168 -0.145 25515 2042 1 4 . 1 1 68 68 THR C C 68 178.796 178.796 173.993 4.803 25515 2043 1 4 . 1 1 68 68 THR CA C 68 61.672 61.672 62.048 -0.376 25515 2044 1 4 . 1 1 68 68 THR CB C 68 69.052 69.052 68.736 0.316 25515 2045 1 4 . 1 1 68 68 THR H H 68 7.104 7.104 7.633 -0.529 25515 2046 1 4 . 1 1 69 69 ASP N N 69 125.057 125.057 121.934 3.123 25515 2047 1 4 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.664 0.037 25515 2048 1 4 . 1 1 69 69 ASP C C 69 177.204 177.204 175.685 1.519 25515 2049 1 4 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.317 -0.558 25515 2050 1 4 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.991 -0.240 25515 2051 1 4 . 1 1 69 69 ASP H H 69 7.076 7.076 7.365 -0.289 25515 2052 1 4 . 1 1 70 70 ALA N N 70 128.178 128.178 125.978 2.200 25515 2053 1 4 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.199 -0.302 25515 2054 1 4 . 1 1 70 70 ALA C C 70 171.909 171.909 178.816 -6.907 25515 2055 1 4 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.527 1.299 25515 2056 1 4 . 1 1 70 70 ALA CB C 70 18.474 18.474 19.613 -1.139 25515 2057 1 4 . 1 1 70 70 ALA H H 70 8.761 8.761 8.541 0.220 25515 2058 1 4 . 1 1 71 71 THR N N 71 113.629 113.629 115.980 -2.351 25515 2059 1 4 . 1 1 71 71 THR HA H 71 3.981 3.981 4.076 -0.095 25515 2060 1 4 . 1 1 71 71 THR C C 71 175.038 175.038 176.645 -1.607 25515 2061 1 4 . 1 1 71 71 THR CA C 71 66.164 66.164 66.633 -0.469 25515 2062 1 4 . 1 1 71 71 THR CB C 71 68.319 68.319 69.019 -0.700 25515 2063 1 4 . 1 1 71 71 THR H H 71 7.957 7.957 8.151 -0.194 25515 2064 1 4 . 1 1 72 72 LYS N N 72 122.501 122.501 119.831 2.670 25515 2065 1 4 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.105 -0.295 25515 2066 1 4 . 1 1 72 72 LYS C C 72 173.814 173.814 178.557 -4.743 25515 2067 1 4 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.779 0.512 25515 2068 1 4 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.391 0.415 25515 2069 1 4 . 1 1 72 72 LYS H H 72 8.309 8.309 9.015 -0.706 25515 2070 1 4 . 1 1 73 73 ARG N N 73 120.595 120.595 118.034 2.561 25515 2071 1 4 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.117 -0.514 25515 2072 1 4 . 1 1 73 73 ARG C C 73 174.477 174.477 177.228 -2.751 25515 2073 1 4 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.990 1.839 25515 2074 1 4 . 1 1 73 73 ARG H H 73 9.258 9.258 8.260 0.998 25515 2075 1 4 . 1 1 74 74 ASN N N 74 115.425 115.425 119.264 -3.839 25515 2076 1 4 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.459 -0.028 25515 2077 1 4 . 1 1 74 74 ASN C C 74 174.296 174.296 177.730 -3.434 25515 2078 1 4 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.794 -0.083 25515 2079 1 4 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.459 0.271 25515 2080 1 4 . 1 1 74 74 ASN H H 74 7.534 7.534 7.920 -0.386 25515 2081 1 4 . 1 1 75 75 ILE N N 75 119.020 119.020 117.985 1.035 25515 2082 1 4 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.794 -0.161 25515 2083 1 4 . 1 1 75 75 ILE C C 75 174.667 174.667 177.313 -2.646 25515 2084 1 4 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.841 1.664 25515 2085 1 4 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.464 1.761 25515 2086 1 4 . 1 1 75 75 ILE H H 75 7.656 7.656 8.335 -0.679 25515 2087 1 4 . 1 1 76 76 TYR N N 76 121.913 121.913 122.544 -0.631 25515 2088 1 4 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.061 -0.046 25515 2089 1 4 . 1 1 76 76 TYR C C 76 173.323 173.323 176.694 -3.371 25515 2090 1 4 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.940 -0.393 25515 2091 1 4 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.293 0.460 25515 2092 1 4 . 1 1 76 76 TYR H H 76 8.894 8.894 7.721 1.173 25515 2093 1 4 . 1 1 77 77 ASP N N 77 120.151 120.151 116.682 3.469 25515 2094 1 4 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.267 0.070 25515 2095 1 4 . 1 1 77 77 ASP C C 77 174.321 174.321 176.944 -2.623 25515 2096 1 4 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.255 1.664 25515 2097 1 4 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.190 -1.205 25515 2098 1 4 . 1 1 77 77 ASP H H 77 9.151 9.151 7.878 1.273 25515 2099 1 4 . 1 1 78 78 LYS N N 78 117.659 117.659 118.065 -0.406 25515 2100 1 4 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.976 -0.049 25515 2101 1 4 . 1 1 78 78 LYS C C 78 174.237 174.237 177.016 -2.779 25515 2102 1 4 . 1 1 78 78 LYS CA C 78 58.413 58.413 57.913 0.500 25515 2103 1 4 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.907 0.735 25515 2104 1 4 . 1 1 78 78 LYS H H 78 7.378 7.378 7.574 -0.196 25515 2105 1 4 . 1 1 79 79 TYR N N 79 115.151 115.151 114.168 0.983 25515 2106 1 4 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.680 -0.059 25515 2107 1 4 . 1 1 79 79 TYR C C 79 175.424 175.424 178.107 -2.683 25515 2108 1 4 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.577 -2.004 25515 2109 1 4 . 1 1 79 79 TYR H H 79 8.505 8.505 7.995 0.510 25515 2110 1 4 . 1 1 80 80 GLY N N 80 110.813 110.813 107.914 2.899 25515 2111 1 4 . 1 1 80 80 GLY C C 80 177.481 177.481 175.063 2.418 25515 2112 1 4 . 1 1 80 80 GLY CA C 80 45.545 45.545 47.070 -1.525 25515 2113 1 4 . 1 1 80 80 GLY H H 80 8.222 8.222 8.786 -0.564 25515 2114 1 4 . 1 1 81 81 SER N N 81 117.578 117.578 116.774 0.804 25515 2115 1 4 . 1 1 81 81 SER C C 81 174.532 174.532 176.344 -1.812 25515 2116 1 4 . 1 1 81 81 SER CA C 81 61.579 61.579 60.033 1.546 25515 2117 1 4 . 1 1 81 81 SER H H 81 8.883 8.883 8.069 0.814 25515 2118 1 4 . 1 1 82 82 LEU N N 82 123.998 123.998 122.493 1.505 25515 2119 1 4 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.534 -0.263 25515 2120 1 4 . 1 1 82 82 LEU C C 82 173.400 173.400 178.842 -5.442 25515 2121 1 4 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.712 1.220 25515 2122 1 4 . 1 1 82 82 LEU CB C 82 41.387 41.387 42.057 -0.670 25515 2123 1 4 . 1 1 82 82 LEU H H 82 8.920 8.920 8.207 0.713 25515 2124 1 4 . 1 1 83 83 GLY N N 83 105.677 105.677 107.002 -1.325 25515 2125 1 4 . 1 1 83 83 GLY C C 83 177.230 177.230 176.486 0.744 25515 2126 1 4 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.685 -0.037 25515 2127 1 4 . 1 1 83 83 GLY H H 83 7.565 7.565 8.849 -1.284 25515 2128 1 4 . 1 1 84 84 LEU N N 84 119.542 119.542 122.169 -2.627 25515 2129 1 4 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.290 -0.231 25515 2130 1 4 . 1 1 84 84 LEU C C 84 173.036 173.036 177.818 -4.782 25515 2131 1 4 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.220 0.213 25515 2132 1 4 . 1 1 84 84 LEU H H 84 7.495 7.495 7.835 -0.340 25515 2133 1 4 . 1 1 85 85 TYR N N 85 121.424 121.424 118.859 2.565 25515 2134 1 4 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.828 -0.570 25515 2135 1 4 . 1 1 85 85 TYR CA C 85 60.970 60.970 59.818 1.153 25515 2136 1 4 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.719 0.589 25515 2137 1 4 . 1 1 85 85 TYR H H 85 7.894 7.894 7.751 0.143 25515 2138 1 4 . 1 1 86 86 VAL N N 86 120.088 120.088 119.595 0.493 25515 2139 1 4 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.249 0.027 25515 2140 1 4 . 1 1 86 86 VAL C C 86 174.300 174.300 177.092 -2.792 25515 2141 1 4 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.620 1.689 25515 2142 1 4 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.616 0.058 25515 2143 1 4 . 1 1 86 86 VAL H H 86 8.402 8.402 7.940 0.462 25515 2144 1 4 . 1 1 87 87 ALA N N 87 121.800 121.800 121.862 -0.062 25515 2145 1 4 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.153 -0.416 25515 2146 1 4 . 1 1 87 87 ALA C C 87 172.312 172.312 179.040 -6.728 25515 2147 1 4 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.800 -0.357 25515 2148 1 4 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.337 0.064 25515 2149 1 4 . 1 1 87 87 ALA H H 87 8.317 8.317 7.641 0.676 25515 2150 1 4 . 1 1 88 88 GLU N N 88 118.012 118.012 117.112 0.900 25515 2151 1 4 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.929 -0.054 25515 2152 1 4 . 1 1 88 88 GLU C C 88 174.071 174.071 178.969 -4.898 25515 2153 1 4 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.988 -0.222 25515 2154 1 4 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.672 -0.123 25515 2155 1 4 . 1 1 88 88 GLU H H 88 7.777 7.777 7.670 0.107 25515 2156 1 4 . 1 1 89 89 GLN N N 89 116.164 116.164 116.273 -0.109 25515 2157 1 4 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.125 -0.414 25515 2158 1 4 . 1 1 89 89 GLN C C 89 174.572 174.572 177.345 -2.773 25515 2159 1 4 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.496 -0.451 25515 2160 1 4 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.013 -0.349 25515 2161 1 4 . 1 1 89 89 GLN H H 89 7.704 7.704 7.684 0.020 25515 2162 1 4 . 1 1 90 90 PHE N N 90 114.734 114.734 118.564 -3.830 25515 2163 1 4 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.644 0.066 25515 2164 1 4 . 1 1 90 90 PHE C C 90 175.715 175.715 175.644 0.071 25515 2165 1 4 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.062 -1.657 25515 2166 1 4 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.291 -0.089 25515 2167 1 4 . 1 1 90 90 PHE H H 90 8.241 8.241 8.535 -0.294 25515 2168 1 4 . 1 1 91 91 GLY N N 91 111.234 111.234 107.225 4.009 25515 2169 1 4 . 1 1 91 91 GLY C C 91 176.788 176.788 174.403 2.385 25515 2170 1 4 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.686 0.484 25515 2171 1 4 . 1 1 91 91 GLY H H 91 7.668 7.668 7.466 0.202 25515 2172 1 4 . 1 1 92 92 GLU N N 92 123.392 123.392 123.630 -0.238 25515 2173 1 4 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.932 -0.090 25515 2174 1 4 . 1 1 92 92 GLU C C 92 174.798 174.798 177.858 -3.060 25515 2175 1 4 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.900 -0.642 25515 2176 1 4 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.792 -0.174 25515 2177 1 4 . 1 1 92 92 GLU H H 92 8.793 8.793 8.853 -0.060 25515 2178 1 4 . 1 1 93 93 GLU N N 93 118.621 118.621 117.576 1.045 25515 2179 1 4 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.166 0.019 25515 2180 1 4 . 1 1 93 93 GLU C C 93 175.143 175.143 177.930 -2.787 25515 2181 1 4 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.129 -0.244 25515 2182 1 4 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.025 0.042 25515 2183 1 4 . 1 1 93 93 GLU H H 93 9.356 9.356 8.845 0.511 25515 2184 1 4 . 1 1 94 94 ASN N N 94 116.563 116.563 119.552 -2.989 25515 2185 1 4 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.575 0.336 25515 2186 1 4 . 1 1 94 94 ASN C C 94 176.192 176.192 177.626 -1.434 25515 2187 1 4 . 1 1 94 94 ASN CA C 94 53.311 53.311 56.194 -2.883 25515 2188 1 4 . 1 1 94 94 ASN CB C 94 39.744 39.744 38.370 1.374 25515 2189 1 4 . 1 1 94 94 ASN H H 94 7.881 7.881 7.796 0.085 25515 2190 1 4 . 1 1 95 95 VAL N N 95 119.858 119.858 119.051 0.807 25515 2191 1 4 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.654 0.086 25515 2192 1 4 . 1 1 95 95 VAL C C 95 175.715 175.715 177.296 -1.581 25515 2193 1 4 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.498 -1.000 25515 2194 1 4 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.340 0.626 25515 2195 1 4 . 1 1 95 95 VAL H H 95 7.405 7.405 8.380 -0.975 25515 2196 1 4 . 1 1 96 96 ASN N N 96 116.409 116.409 118.269 -1.860 25515 2197 1 4 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.638 -0.180 25515 2198 1 4 . 1 1 96 96 ASN C C 96 175.322 175.322 176.745 -1.423 25515 2199 1 4 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.693 0.025 25515 2200 1 4 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.431 -0.215 25515 2201 1 4 . 1 1 96 96 ASN H H 96 8.356 8.356 7.989 0.367 25515 2202 1 4 . 1 1 97 97 THR N N 97 111.266 111.266 114.106 -2.840 25515 2203 1 4 . 1 1 97 97 THR HA H 97 3.993 3.993 4.000 -0.007 25515 2204 1 4 . 1 1 97 97 THR C C 97 177.418 177.418 175.668 1.750 25515 2205 1 4 . 1 1 97 97 THR CA C 97 63.604 63.604 65.382 -1.778 25515 2206 1 4 . 1 1 97 97 THR CB C 97 69.162 69.162 68.751 0.411 25515 2207 1 4 . 1 1 97 97 THR H H 97 7.575 7.575 8.203 -0.628 25515 2208 1 4 . 1 1 98 98 TYR N N 98 119.963 119.963 117.793 2.170 25515 2209 1 4 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.283 0.039 25515 2210 1 4 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.975 -0.777 25515 2211 1 4 . 1 1 98 98 TYR CB C 98 39.244 39.244 38.797 0.447 25515 2212 1 4 . 1 1 98 98 TYR H H 98 7.480 7.480 7.728 -0.248 25515 2213 1 4 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.481 0.079 25515 2214 1 4 . 1 1 99 99 PHE C C 99 177.317 177.317 175.212 2.105 25515 2215 1 4 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.133 0.860 25515 2216 1 4 . 1 1 99 99 PHE CB C 99 40.642 40.642 41.056 -0.414 25515 2217 1 5 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.548 -0.257 25515 2218 1 5 . 1 1 2 2 ALA C C 2 175.019 175.019 175.825 -0.806 25515 2219 1 5 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.145 1.426 25515 2220 1 5 . 1 1 2 2 ALA CB C 2 19.119 19.119 20.624 -1.505 25515 2221 1 5 . 1 1 3 3 ASP N N 3 120.192 120.192 120.788 -0.596 25515 2222 1 5 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.657 -0.172 25515 2223 1 5 . 1 1 3 3 ASP C C 3 175.549 175.549 175.297 0.252 25515 2224 1 5 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.472 -0.220 25515 2225 1 5 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.221 0.011 25515 2226 1 5 . 1 1 3 3 ASP H H 3 8.336 8.336 8.281 0.055 25515 2227 1 5 . 1 1 4 4 GLN N N 4 121.286 121.286 122.116 -0.830 25515 2228 1 5 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.613 -0.411 25515 2229 1 5 . 1 1 4 4 GLN C C 4 175.579 175.579 175.174 0.405 25515 2230 1 5 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.102 1.224 25515 2231 1 5 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.264 -1.147 25515 2232 1 5 . 1 1 4 4 GLN H H 4 8.404 8.404 8.173 0.231 25515 2233 1 5 . 1 1 5 5 ARG N N 5 121.138 121.138 121.006 0.132 25515 2234 1 5 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.434 -0.270 25515 2235 1 5 . 1 1 5 5 ARG C C 5 175.327 175.327 176.185 -0.858 25515 2236 1 5 . 1 1 5 5 ARG CA C 5 56.776 56.776 55.398 1.378 25515 2237 1 5 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.981 -0.470 25515 2238 1 5 . 1 1 5 5 ARG H H 5 8.281 8.281 8.639 -0.358 25515 2239 1 5 . 1 1 6 6 GLN N N 6 120.348 120.348 121.113 -0.765 25515 2240 1 5 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.202 -0.013 25515 2241 1 5 . 1 1 6 6 GLN C C 6 175.838 175.838 176.961 -1.123 25515 2242 1 5 . 1 1 6 6 GLN CA C 6 56.208 56.208 56.087 0.122 25515 2243 1 5 . 1 1 6 6 GLN CB C 6 29.131 29.131 29.173 -0.042 25515 2244 1 5 . 1 1 6 6 GLN H H 6 8.253 8.253 8.019 0.234 25515 2245 1 5 . 1 1 7 7 ARG N N 7 121.761 121.761 124.515 -2.754 25515 2246 1 5 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.014 0.227 25515 2247 1 5 . 1 1 7 7 ARG C C 7 175.708 175.708 178.308 -2.600 25515 2248 1 5 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.042 -2.707 25515 2249 1 5 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.868 0.903 25515 2250 1 5 . 1 1 7 7 ARG H H 7 8.211 8.211 8.889 -0.678 25515 2251 1 5 . 1 1 8 8 SER N N 8 116.450 116.450 112.300 4.150 25515 2252 1 5 . 1 1 8 8 SER HA H 8 4.384 4.384 4.401 -0.017 25515 2253 1 5 . 1 1 8 8 SER C C 8 177.569 177.569 175.681 1.888 25515 2254 1 5 . 1 1 8 8 SER CA C 8 58.298 58.298 60.525 -2.227 25515 2255 1 5 . 1 1 8 8 SER CB C 8 63.786 63.786 62.725 1.061 25515 2256 1 5 . 1 1 8 8 SER H H 8 8.220 8.220 8.458 -0.238 25515 2257 1 5 . 1 1 9 9 LEU N N 9 123.709 123.709 118.720 4.989 25515 2258 1 5 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.683 -0.329 25515 2259 1 5 . 1 1 9 9 LEU C C 9 174.915 174.915 178.164 -3.249 25515 2260 1 5 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.854 -0.878 25515 2261 1 5 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.186 1.492 25515 2262 1 5 . 1 1 9 9 LEU H H 9 8.091 8.091 7.447 0.644 25515 2263 1 5 . 1 1 10 10 SER N N 10 115.478 115.478 114.776 0.702 25515 2264 1 5 . 1 1 10 10 SER HA H 10 4.561 4.561 4.281 0.280 25515 2265 1 5 . 1 1 10 10 SER C C 10 177.096 177.096 175.153 1.943 25515 2266 1 5 . 1 1 10 10 SER CA C 10 58.016 58.016 60.415 -2.399 25515 2267 1 5 . 1 1 10 10 SER CB C 10 64.062 64.062 63.627 0.435 25515 2268 1 5 . 1 1 10 10 SER H H 10 8.187 8.187 7.629 0.558 25515 2269 1 5 . 1 1 11 11 THR N N 11 114.393 114.393 115.598 -1.205 25515 2270 1 5 . 1 1 11 11 THR HA H 11 4.516 4.516 4.368 0.148 25515 2271 1 5 . 1 1 11 11 THR C C 11 177.232 177.232 175.297 1.935 25515 2272 1 5 . 1 1 11 11 THR CA C 11 61.740 61.740 61.569 0.171 25515 2273 1 5 . 1 1 11 11 THR CB C 11 69.478 69.478 70.320 -0.843 25515 2274 1 5 . 1 1 11 11 THR H H 11 8.180 8.180 7.482 0.698 25515 2275 1 5 . 1 1 12 12 SER N N 12 117.125 117.125 120.945 -3.820 25515 2276 1 5 . 1 1 12 12 SER HA H 12 4.391 4.391 4.175 0.216 25515 2277 1 5 . 1 1 12 12 SER C C 12 176.856 176.856 176.227 0.629 25515 2278 1 5 . 1 1 12 12 SER CA C 12 58.537 58.537 60.422 -1.885 25515 2279 1 5 . 1 1 12 12 SER CB C 12 63.915 63.915 63.251 0.664 25515 2280 1 5 . 1 1 12 12 SER H H 12 8.171 8.171 8.704 -0.533 25515 2281 1 5 . 1 1 13 13 GLY N N 13 111.544 111.544 108.989 2.555 25515 2282 1 5 . 1 1 13 13 GLY C C 13 178.243 178.243 173.809 4.434 25515 2283 1 5 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.258 0.222 25515 2284 1 5 . 1 1 13 13 GLY H H 13 8.381 8.381 8.029 0.352 25515 2285 1 5 . 1 1 14 14 GLU N N 14 119.223 119.223 116.781 2.442 25515 2286 1 5 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.582 -0.142 25515 2287 1 5 . 1 1 14 14 GLU C C 14 174.876 174.876 176.012 -1.136 25515 2288 1 5 . 1 1 14 14 GLU CA C 14 56.424 56.424 56.330 0.094 25515 2289 1 5 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.577 0.401 25515 2290 1 5 . 1 1 14 14 GLU H H 14 8.149 8.149 8.016 0.133 25515 2291 1 5 . 1 1 15 15 SER N N 15 117.752 117.752 119.217 -1.465 25515 2292 1 5 . 1 1 15 15 SER H H 15 8.437 8.437 8.906 -0.469 25515 2293 1 5 . 1 1 16 16 LEU N N 16 121.072 121.072 124.264 -3.192 25515 2294 1 5 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.100 -0.239 25515 2295 1 5 . 1 1 16 16 LEU C C 16 174.423 174.423 179.372 -4.949 25515 2296 1 5 . 1 1 16 16 LEU CA C 16 57.425 57.425 58.346 -0.921 25515 2297 1 5 . 1 1 16 16 LEU CB C 16 41.676 41.676 40.474 1.202 25515 2298 1 5 . 1 1 16 16 LEU H H 16 8.233 8.233 8.544 -0.311 25515 2299 1 5 . 1 1 17 17 TYR N N 17 111.961 111.961 115.718 -3.757 25515 2300 1 5 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.112 -0.450 25515 2301 1 5 . 1 1 17 17 TYR C C 17 173.256 173.256 178.387 -5.131 25515 2302 1 5 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.906 -0.040 25515 2303 1 5 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.369 0.038 25515 2304 1 5 . 1 1 17 17 TYR H H 17 6.929 6.929 8.194 -1.265 25515 2305 1 5 . 1 1 18 18 HIS N N 18 119.254 119.254 118.508 0.746 25515 2306 1 5 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.393 0.046 25515 2307 1 5 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.608 -0.694 25515 2308 1 5 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.488 -0.874 25515 2309 1 5 . 1 1 18 18 HIS H H 18 7.672 7.672 7.590 0.082 25515 2310 1 5 . 1 1 19 19 VAL N N 19 120.746 120.746 119.235 1.511 25515 2311 1 5 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.847 -0.142 25515 2312 1 5 . 1 1 19 19 VAL C C 19 175.643 175.643 177.536 -1.893 25515 2313 1 5 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.730 -0.197 25515 2314 1 5 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.895 -0.430 25515 2315 1 5 . 1 1 19 19 VAL H H 19 7.883 7.883 7.859 0.024 25515 2316 1 5 . 1 1 20 20 LEU N N 20 114.576 114.576 117.362 -2.786 25515 2317 1 5 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.329 0.032 25515 2318 1 5 . 1 1 20 20 LEU C C 20 175.746 175.746 176.951 -1.205 25515 2319 1 5 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.193 -1.912 25515 2320 1 5 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.373 0.527 25515 2321 1 5 . 1 1 20 20 LEU H H 20 6.626 6.626 7.494 -0.868 25515 2322 1 5 . 1 1 21 21 GLY N N 21 109.239 109.239 105.969 3.270 25515 2323 1 5 . 1 1 21 21 GLY C C 21 177.637 177.637 174.684 2.953 25515 2324 1 5 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.662 0.621 25515 2325 1 5 . 1 1 21 21 GLY H H 21 7.991 7.991 7.603 0.388 25515 2326 1 5 . 1 1 22 22 LEU N N 22 119.495 119.495 116.358 3.137 25515 2327 1 5 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.809 -0.042 25515 2328 1 5 . 1 1 22 22 LEU C C 22 177.306 177.306 175.295 2.011 25515 2329 1 5 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.376 -0.494 25515 2330 1 5 . 1 1 22 22 LEU CB C 22 45.907 45.907 42.839 3.068 25515 2331 1 5 . 1 1 22 22 LEU H H 22 7.765 7.765 7.399 0.366 25515 2332 1 5 . 1 1 23 23 ASP N N 23 118.518 118.518 118.659 -0.141 25515 2333 1 5 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.726 -0.137 25515 2334 1 5 . 1 1 23 23 ASP C C 23 176.597 176.597 177.492 -0.895 25515 2335 1 5 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.288 -1.257 25515 2336 1 5 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.730 0.751 25515 2337 1 5 . 1 1 23 23 ASP H H 23 7.977 7.977 8.471 -0.494 25515 2338 1 5 . 1 1 24 24 LYS N N 24 115.499 115.499 119.188 -3.689 25515 2339 1 5 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.015 -0.863 25515 2340 1 5 . 1 1 24 24 LYS C C 24 176.231 176.231 175.620 0.611 25515 2341 1 5 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.380 -0.313 25515 2342 1 5 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.402 0.959 25515 2343 1 5 . 1 1 24 24 LYS H H 24 7.811 7.811 8.445 -0.634 25515 2344 1 5 . 1 1 25 25 ASN N N 25 115.622 115.622 116.130 -0.508 25515 2345 1 5 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.810 -0.285 25515 2346 1 5 . 1 1 25 25 ASN C C 25 176.698 176.698 174.817 1.881 25515 2347 1 5 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.831 0.042 25515 2348 1 5 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.999 -0.925 25515 2349 1 5 . 1 1 25 25 ASN H H 25 7.817 7.817 7.718 0.099 25515 2350 1 5 . 1 1 26 26 ALA N N 26 122.970 122.970 124.062 -1.092 25515 2351 1 5 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.393 -0.034 25515 2352 1 5 . 1 1 26 26 ALA C C 26 173.847 173.847 176.895 -3.048 25515 2353 1 5 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.422 0.495 25515 2354 1 5 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.994 0.973 25515 2355 1 5 . 1 1 26 26 ALA H H 26 7.646 7.646 7.460 0.186 25515 2356 1 5 . 1 1 27 27 THR N N 27 113.252 113.252 113.894 -0.642 25515 2357 1 5 . 1 1 27 27 THR HA H 27 4.657 4.657 4.600 0.057 25515 2358 1 5 . 1 1 27 27 THR C C 27 175.986 175.986 175.854 0.132 25515 2359 1 5 . 1 1 27 27 THR CA C 27 60.427 60.427 60.754 -0.327 25515 2360 1 5 . 1 1 27 27 THR CB C 27 71.702 71.702 71.971 -0.269 25515 2361 1 5 . 1 1 27 27 THR H H 27 9.089 9.089 8.643 0.446 25515 2362 1 5 . 1 1 28 28 SER N N 28 115.961 115.961 117.702 -1.741 25515 2363 1 5 . 1 1 28 28 SER HA H 28 3.930 3.930 4.063 -0.133 25515 2364 1 5 . 1 1 28 28 SER C C 28 175.440 175.440 175.979 -0.539 25515 2365 1 5 . 1 1 28 28 SER CA C 28 62.515 62.515 62.349 0.166 25515 2366 1 5 . 1 1 28 28 SER CB C 28 62.713 62.713 63.318 -0.605 25515 2367 1 5 . 1 1 28 28 SER H H 28 9.095 9.095 8.900 0.195 25515 2368 1 5 . 1 1 29 29 ASP N N 29 119.797 119.797 120.311 -0.514 25515 2369 1 5 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.369 0.034 25515 2370 1 5 . 1 1 29 29 ASP C C 29 173.862 173.862 178.293 -4.431 25515 2371 1 5 . 1 1 29 29 ASP CA C 29 57.783 57.783 58.244 -0.461 25515 2372 1 5 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.513 0.538 25515 2373 1 5 . 1 1 29 29 ASP H H 29 8.122 8.122 8.217 -0.095 25515 2374 1 5 . 1 1 30 30 ASP N N 30 120.847 120.847 119.763 1.084 25515 2375 1 5 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.502 -0.155 25515 2376 1 5 . 1 1 30 30 ASP C C 30 172.627 172.627 178.638 -6.011 25515 2377 1 5 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.197 0.492 25515 2378 1 5 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.932 0.050 25515 2379 1 5 . 1 1 30 30 ASP H H 30 7.851 7.851 7.765 0.086 25515 2380 1 5 . 1 1 31 31 ILE N N 31 121.776 121.776 120.991 0.785 25515 2381 1 5 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.688 -0.172 25515 2382 1 5 . 1 1 31 31 ILE C C 31 174.709 174.709 178.043 -3.334 25515 2383 1 5 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.376 0.110 25515 2384 1 5 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.873 0.368 25515 2385 1 5 . 1 1 31 31 ILE H H 31 8.122 8.122 8.218 -0.096 25515 2386 1 5 . 1 1 32 32 LYS N N 32 119.510 119.510 120.417 -0.907 25515 2387 1 5 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.361 -0.284 25515 2388 1 5 . 1 1 32 32 LYS C C 32 172.959 172.959 179.242 -6.283 25515 2389 1 5 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.860 0.975 25515 2390 1 5 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.565 -0.061 25515 2391 1 5 . 1 1 32 32 LYS H H 32 8.172 8.172 8.096 0.076 25515 2392 1 5 . 1 1 33 33 LYS N N 33 119.042 119.042 119.912 -0.870 25515 2393 1 5 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.076 -0.108 25515 2394 1 5 . 1 1 33 33 LYS C C 33 172.323 172.323 179.282 -6.959 25515 2395 1 5 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.573 0.433 25515 2396 1 5 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.377 0.336 25515 2397 1 5 . 1 1 33 33 LYS H H 33 8.342 8.342 7.910 0.432 25515 2398 1 5 . 1 1 34 34 SER N N 34 115.060 115.060 115.867 -0.807 25515 2399 1 5 . 1 1 34 34 SER HA H 34 4.260 4.260 4.237 0.023 25515 2400 1 5 . 1 1 34 34 SER C C 34 175.503 175.503 176.371 -0.868 25515 2401 1 5 . 1 1 34 34 SER CA C 34 61.734 61.734 61.872 -0.138 25515 2402 1 5 . 1 1 34 34 SER CB C 34 63.088 63.088 63.032 0.056 25515 2403 1 5 . 1 1 34 34 SER H H 34 8.161 8.161 8.271 -0.110 25515 2404 1 5 . 1 1 35 35 TYR N N 35 119.241 119.241 123.362 -4.121 25515 2405 1 5 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.148 -0.274 25515 2406 1 5 . 1 1 35 35 TYR C C 35 176.352 176.352 176.982 -0.630 25515 2407 1 5 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.587 0.282 25515 2408 1 5 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.464 0.326 25515 2409 1 5 . 1 1 35 35 TYR H H 35 8.499 8.499 7.969 0.530 25515 2410 1 5 . 1 1 36 36 ARG N N 36 116.674 116.674 117.774 -1.100 25515 2411 1 5 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.573 -0.120 25515 2412 1 5 . 1 1 36 36 ARG C C 36 173.135 173.135 178.651 -5.516 25515 2413 1 5 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.381 1.229 25515 2414 1 5 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.318 0.561 25515 2415 1 5 . 1 1 36 36 ARG H H 36 7.967 7.967 7.846 0.121 25515 2416 1 5 . 1 1 37 37 LYS N N 37 116.974 116.974 119.278 -2.304 25515 2417 1 5 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.992 -0.022 25515 2418 1 5 . 1 1 37 37 LYS C C 37 172.489 172.489 179.471 -6.982 25515 2419 1 5 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.402 -0.025 25515 2420 1 5 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.204 0.553 25515 2421 1 5 . 1 1 37 37 LYS H H 37 7.275 7.275 8.023 -0.748 25515 2422 1 5 . 1 1 38 38 LEU N N 38 120.978 120.978 118.198 2.780 25515 2423 1 5 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.332 -0.309 25515 2424 1 5 . 1 1 38 38 LEU C C 38 173.557 173.557 178.326 -4.769 25515 2425 1 5 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.480 0.924 25515 2426 1 5 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.296 0.072 25515 2427 1 5 . 1 1 38 38 LEU H H 38 8.268 8.268 7.605 0.663 25515 2428 1 5 . 1 1 39 39 ALA N N 39 122.700 122.700 123.139 -0.439 25515 2429 1 5 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.903 -0.018 25515 2430 1 5 . 1 1 39 39 ALA C C 39 172.721 172.721 178.952 -6.231 25515 2431 1 5 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.349 0.091 25515 2432 1 5 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.257 -1.307 25515 2433 1 5 . 1 1 39 39 ALA H H 39 9.043 9.043 8.246 0.797 25515 2434 1 5 . 1 1 40 40 LEU N N 40 114.462 114.462 113.836 0.626 25515 2435 1 5 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.995 0.037 25515 2436 1 5 . 1 1 40 40 LEU C C 40 173.110 173.110 179.251 -6.141 25515 2437 1 5 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.714 0.595 25515 2438 1 5 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.185 1.849 25515 2439 1 5 . 1 1 40 40 LEU H H 40 6.862 6.862 7.432 -0.570 25515 2440 1 5 . 1 1 41 41 LYS N N 41 118.126 118.126 121.384 -3.258 25515 2441 1 5 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.786 0.056 25515 2442 1 5 . 1 1 41 41 LYS C C 41 173.695 173.695 177.312 -3.617 25515 2443 1 5 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.973 -0.231 25515 2444 1 5 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.347 0.639 25515 2445 1 5 . 1 1 41 41 LYS H H 41 7.135 7.135 7.762 -0.627 25515 2446 1 5 . 1 1 42 42 TYR N N 42 113.902 113.902 113.999 -0.097 25515 2447 1 5 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.581 -0.091 25515 2448 1 5 . 1 1 42 42 TYR C C 42 178.884 178.884 174.449 4.435 25515 2449 1 5 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.321 0.692 25515 2450 1 5 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.230 0.280 25515 2451 1 5 . 1 1 42 42 TYR H H 42 7.756 7.756 7.760 -0.004 25515 2452 1 5 . 1 1 43 43 HIS N N 43 120.909 120.909 122.100 -1.191 25515 2453 1 5 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.102 -0.630 25515 2454 1 5 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.208 0.691 25515 2455 1 5 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.220 -0.095 25515 2456 1 5 . 1 1 43 43 HIS H H 43 7.134 7.134 7.450 -0.316 25515 2457 1 5 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.082 -0.084 25515 2458 1 5 . 1 1 44 44 PRO C C 44 172.774 172.774 178.277 -5.503 25515 2459 1 5 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.986 -0.381 25515 2460 1 5 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.584 0.026 25515 2461 1 5 . 1 1 45 45 ASP N N 45 121.379 121.379 114.956 6.423 25515 2462 1 5 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.458 -0.101 25515 2463 1 5 . 1 1 45 45 ASP C C 45 173.968 173.968 177.052 -3.084 25515 2464 1 5 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.339 1.432 25515 2465 1 5 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.800 -0.677 25515 2466 1 5 . 1 1 45 45 ASP H H 45 10.727 10.727 8.442 2.285 25515 2467 1 5 . 1 1 46 46 LYS N N 46 115.902 115.902 117.484 -1.582 25515 2468 1 5 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.198 0.160 25515 2469 1 5 . 1 1 46 46 LYS C C 46 176.450 176.450 176.393 0.057 25515 2470 1 5 . 1 1 46 46 LYS CA C 46 54.774 54.774 55.826 -1.052 25515 2471 1 5 . 1 1 46 46 LYS CB C 46 33.189 33.189 31.745 1.444 25515 2472 1 5 . 1 1 46 46 LYS H H 46 7.475 7.475 8.175 -0.700 25515 2473 1 5 . 1 1 47 47 ASN N N 47 117.709 117.709 120.114 -2.405 25515 2474 1 5 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.079 0.071 25515 2475 1 5 . 1 1 47 47 ASN C C 47 170.657 170.657 173.738 -3.081 25515 2476 1 5 . 1 1 47 47 ASN CA C 47 51.540 51.540 50.902 0.638 25515 2477 1 5 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.470 2.086 25515 2478 1 5 . 1 1 47 47 ASN H H 47 7.410 7.410 7.476 -0.066 25515 2479 1 5 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.525 -0.159 25515 2480 1 5 . 1 1 48 48 PRO C C 48 174.739 174.739 176.621 -1.882 25515 2481 1 5 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.331 1.781 25515 2482 1 5 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.350 -0.826 25515 2483 1 5 . 1 1 49 49 ASP N N 49 117.619 117.619 117.176 0.443 25515 2484 1 5 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.425 -0.048 25515 2485 1 5 . 1 1 49 49 ASP C C 49 177.335 177.335 175.799 1.536 25515 2486 1 5 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.487 -0.902 25515 2487 1 5 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.554 -0.300 25515 2488 1 5 . 1 1 49 49 ASP H H 49 8.679 8.679 8.363 0.316 25515 2489 1 5 . 1 1 50 50 ASN N N 50 114.537 114.537 119.530 -4.993 25515 2490 1 5 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.729 0.471 25515 2491 1 5 . 1 1 50 50 ASN C C 50 178.245 178.245 174.632 3.613 25515 2492 1 5 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.146 -2.011 25515 2493 1 5 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.366 1.210 25515 2494 1 5 . 1 1 50 50 ASN H H 50 7.341 7.341 8.377 -1.036 25515 2495 1 5 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.552 -0.188 25515 2496 1 5 . 1 1 51 51 PRO C C 51 173.714 173.714 177.828 -4.114 25515 2497 1 5 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.326 1.292 25515 2498 1 5 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.039 0.062 25515 2499 1 5 . 1 1 52 52 GLU N N 52 118.597 118.597 121.309 -2.712 25515 2500 1 5 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.018 0.170 25515 2501 1 5 . 1 1 52 52 GLU C C 52 173.216 173.216 178.211 -4.995 25515 2502 1 5 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.127 -1.177 25515 2503 1 5 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.443 -0.244 25515 2504 1 5 . 1 1 52 52 GLU H H 52 8.048 8.048 8.725 -0.677 25515 2505 1 5 . 1 1 53 53 ALA N N 53 122.149 122.149 120.992 1.157 25515 2506 1 5 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.051 -0.077 25515 2507 1 5 . 1 1 53 53 ALA C C 53 173.485 173.485 179.306 -5.821 25515 2508 1 5 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.926 0.145 25515 2509 1 5 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.175 -0.398 25515 2510 1 5 . 1 1 53 53 ALA H H 53 7.606 7.606 7.747 -0.141 25515 2511 1 5 . 1 1 54 54 ALA N N 54 119.475 119.475 120.710 -1.235 25515 2512 1 5 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.246 -0.019 25515 2513 1 5 . 1 1 54 54 ALA C C 54 171.125 171.125 179.357 -8.232 25515 2514 1 5 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.589 0.582 25515 2515 1 5 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.447 -0.600 25515 2516 1 5 . 1 1 54 54 ALA H H 54 7.680 7.680 8.114 -0.434 25515 2517 1 5 . 1 1 55 55 ASP N N 55 120.134 120.134 119.242 0.892 25515 2518 1 5 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.352 0.069 25515 2519 1 5 . 1 1 55 55 ASP C C 55 173.088 173.088 178.645 -5.557 25515 2520 1 5 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.525 -0.119 25515 2521 1 5 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.663 -0.334 25515 2522 1 5 . 1 1 55 55 ASP H H 55 7.983 7.983 8.422 -0.439 25515 2523 1 5 . 1 1 56 56 LYS N N 56 120.915 120.915 121.237 -0.322 25515 2524 1 5 . 1 1 56 56 LYS HA H 56 3.910 3.910 4.000 -0.090 25515 2525 1 5 . 1 1 56 56 LYS C C 56 173.210 173.210 178.278 -5.068 25515 2526 1 5 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.546 -0.065 25515 2527 1 5 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.528 -0.620 25515 2528 1 5 . 1 1 56 56 LYS H H 56 7.758 7.758 7.944 -0.186 25515 2529 1 5 . 1 1 57 57 PHE N N 57 120.024 120.024 120.282 -0.258 25515 2530 1 5 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.139 -0.134 25515 2531 1 5 . 1 1 57 57 PHE C C 57 174.430 174.430 177.433 -3.003 25515 2532 1 5 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.678 1.862 25515 2533 1 5 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.635 0.453 25515 2534 1 5 . 1 1 57 57 PHE H H 57 8.861 8.861 8.334 0.527 25515 2535 1 5 . 1 1 58 58 LYS N N 58 119.306 119.306 120.002 -0.696 25515 2536 1 5 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.665 0.288 25515 2537 1 5 . 1 1 58 58 LYS C C 58 172.875 172.875 178.477 -5.602 25515 2538 1 5 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.060 -0.200 25515 2539 1 5 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.448 -0.139 25515 2540 1 5 . 1 1 58 58 LYS H H 58 7.846 7.846 8.213 -0.367 25515 2541 1 5 . 1 1 59 59 GLU N N 59 119.732 119.732 118.657 1.075 25515 2542 1 5 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.117 -0.068 25515 2543 1 5 . 1 1 59 59 GLU C C 59 171.935 171.935 179.142 -7.207 25515 2544 1 5 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.039 0.434 25515 2545 1 5 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.293 0.534 25515 2546 1 5 . 1 1 59 59 GLU H H 59 7.732 7.732 7.968 -0.236 25515 2547 1 5 . 1 1 60 60 ILE N N 60 119.074 119.074 121.311 -2.237 25515 2548 1 5 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.736 -0.048 25515 2549 1 5 . 1 1 60 60 ILE C C 60 174.424 174.424 178.219 -3.795 25515 2550 1 5 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.038 -0.764 25515 2551 1 5 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.874 0.573 25515 2552 1 5 . 1 1 60 60 ILE H H 60 8.429 8.429 8.755 -0.326 25515 2553 1 5 . 1 1 61 61 ASN N N 61 120.038 120.038 116.908 3.130 25515 2554 1 5 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.480 -0.179 25515 2555 1 5 . 1 1 61 61 ASN C C 61 174.271 174.271 177.198 -2.927 25515 2556 1 5 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.689 0.867 25515 2557 1 5 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.376 -0.093 25515 2558 1 5 . 1 1 61 61 ASN H H 61 8.025 8.025 8.465 -0.440 25515 2559 1 5 . 1 1 62 62 ASN N N 62 119.502 119.502 118.749 0.753 25515 2560 1 5 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.535 -0.225 25515 2561 1 5 . 1 1 62 62 ASN C C 62 176.042 176.042 176.815 -0.773 25515 2562 1 5 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.727 0.820 25515 2563 1 5 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.587 0.134 25515 2564 1 5 . 1 1 62 62 ASN H H 62 8.042 8.042 7.889 0.153 25515 2565 1 5 . 1 1 63 63 ALA N N 63 119.769 119.769 123.234 -3.465 25515 2566 1 5 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.843 -0.157 25515 2567 1 5 . 1 1 63 63 ALA C C 63 173.564 173.564 179.318 -5.754 25515 2568 1 5 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.971 0.569 25515 2569 1 5 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.898 0.608 25515 2570 1 5 . 1 1 63 63 ALA H H 63 7.944 7.944 8.425 -0.481 25515 2571 1 5 . 1 1 64 64 HIS N N 64 115.292 115.292 118.235 -2.943 25515 2572 1 5 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.169 -0.642 25515 2573 1 5 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.193 1.191 25515 2574 1 5 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.612 0.323 25515 2575 1 5 . 1 1 64 64 HIS H H 64 8.055 8.055 8.384 -0.329 25515 2576 1 5 . 1 1 65 65 ALA N N 65 122.093 122.093 120.484 1.609 25515 2577 1 5 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.933 -0.427 25515 2578 1 5 . 1 1 65 65 ALA C C 65 172.454 172.454 179.170 -6.716 25515 2579 1 5 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.679 1.312 25515 2580 1 5 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.838 -1.700 25515 2581 1 5 . 1 1 65 65 ALA H H 65 7.944 7.944 7.618 0.326 25515 2582 1 5 . 1 1 66 66 ILE N N 66 115.954 115.954 119.385 -3.431 25515 2583 1 5 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.577 -0.119 25515 2584 1 5 . 1 1 66 66 ILE C C 66 175.394 175.394 178.261 -2.867 25515 2585 1 5 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.710 -0.102 25515 2586 1 5 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.322 1.667 25515 2587 1 5 . 1 1 66 66 ILE H H 66 7.358 7.358 8.211 -0.853 25515 2588 1 5 . 1 1 67 67 LEU N N 67 111.268 111.268 117.068 -5.800 25515 2589 1 5 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.902 -0.227 25515 2590 1 5 . 1 1 67 67 LEU C C 67 174.490 174.490 178.610 -4.120 25515 2591 1 5 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.569 -0.002 25515 2592 1 5 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.864 2.190 25515 2593 1 5 . 1 1 67 67 LEU H H 67 7.743 7.743 7.693 0.050 25515 2594 1 5 . 1 1 68 68 THR N N 68 103.399 103.399 109.702 -6.303 25515 2595 1 5 . 1 1 68 68 THR HA H 68 4.023 4.023 4.241 -0.218 25515 2596 1 5 . 1 1 68 68 THR C C 68 178.796 178.796 173.151 5.645 25515 2597 1 5 . 1 1 68 68 THR CA C 68 61.672 61.672 61.549 0.123 25515 2598 1 5 . 1 1 68 68 THR CB C 68 69.052 69.052 68.875 0.177 25515 2599 1 5 . 1 1 68 68 THR H H 68 7.104 7.104 7.470 -0.366 25515 2600 1 5 . 1 1 69 69 ASP N N 69 125.057 125.057 122.239 2.818 25515 2601 1 5 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.712 -0.011 25515 2602 1 5 . 1 1 69 69 ASP C C 69 177.204 177.204 176.009 1.195 25515 2603 1 5 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.745 0.014 25515 2604 1 5 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.963 -0.212 25515 2605 1 5 . 1 1 69 69 ASP H H 69 7.076 7.076 7.397 -0.321 25515 2606 1 5 . 1 1 70 70 ALA N N 70 128.178 128.178 129.968 -1.790 25515 2607 1 5 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.057 -0.160 25515 2608 1 5 . 1 1 70 70 ALA C C 70 171.909 171.909 178.974 -7.065 25515 2609 1 5 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.923 0.903 25515 2610 1 5 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.754 -0.280 25515 2611 1 5 . 1 1 70 70 ALA H H 70 8.761 8.761 8.848 -0.087 25515 2612 1 5 . 1 1 71 71 THR N N 71 113.629 113.629 115.188 -1.559 25515 2613 1 5 . 1 1 71 71 THR HA H 71 3.981 3.981 4.056 -0.075 25515 2614 1 5 . 1 1 71 71 THR C C 71 175.038 175.038 176.585 -1.547 25515 2615 1 5 . 1 1 71 71 THR CA C 71 66.164 66.164 66.301 -0.137 25515 2616 1 5 . 1 1 71 71 THR CB C 71 68.319 68.319 68.960 -0.641 25515 2617 1 5 . 1 1 71 71 THR H H 71 7.957 7.957 8.210 -0.254 25515 2618 1 5 . 1 1 72 72 LYS N N 72 122.501 122.501 121.312 1.189 25515 2619 1 5 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.077 -0.267 25515 2620 1 5 . 1 1 72 72 LYS C C 72 173.814 173.814 178.996 -5.182 25515 2621 1 5 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.212 1.079 25515 2622 1 5 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.287 0.519 25515 2623 1 5 . 1 1 72 72 LYS H H 72 8.309 8.309 8.663 -0.354 25515 2624 1 5 . 1 1 73 73 ARG N N 73 120.595 120.595 118.659 1.936 25515 2625 1 5 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.115 -0.512 25515 2626 1 5 . 1 1 73 73 ARG C C 73 174.477 174.477 177.975 -3.498 25515 2627 1 5 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.731 2.098 25515 2628 1 5 . 1 1 73 73 ARG H H 73 9.258 9.258 8.131 1.127 25515 2629 1 5 . 1 1 74 74 ASN N N 74 115.425 115.425 119.010 -3.585 25515 2630 1 5 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.478 -0.047 25515 2631 1 5 . 1 1 74 74 ASN C C 74 174.296 174.296 177.691 -3.395 25515 2632 1 5 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.796 -0.086 25515 2633 1 5 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.435 0.295 25515 2634 1 5 . 1 1 74 74 ASN H H 74 7.534 7.534 7.751 -0.217 25515 2635 1 5 . 1 1 75 75 ILE N N 75 119.020 119.020 118.120 0.900 25515 2636 1 5 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.912 -0.279 25515 2637 1 5 . 1 1 75 75 ILE C C 75 174.667 174.667 177.088 -2.421 25515 2638 1 5 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.106 2.399 25515 2639 1 5 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.128 2.097 25515 2640 1 5 . 1 1 75 75 ILE H H 75 7.656 7.656 8.106 -0.450 25515 2641 1 5 . 1 1 76 76 TYR N N 76 121.913 121.913 121.752 0.161 25515 2642 1 5 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.057 -0.042 25515 2643 1 5 . 1 1 76 76 TYR C C 76 173.323 173.323 177.162 -3.839 25515 2644 1 5 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.927 -0.380 25515 2645 1 5 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.045 0.707 25515 2646 1 5 . 1 1 76 76 TYR H H 76 8.894 8.894 7.971 0.923 25515 2647 1 5 . 1 1 77 77 ASP N N 77 120.151 120.151 117.140 3.011 25515 2648 1 5 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.245 0.092 25515 2649 1 5 . 1 1 77 77 ASP C C 77 174.321 174.321 177.622 -3.301 25515 2650 1 5 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.806 1.113 25515 2651 1 5 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.311 -1.326 25515 2652 1 5 . 1 1 77 77 ASP H H 77 9.151 9.151 7.787 1.364 25515 2653 1 5 . 1 1 78 78 LYS N N 78 117.659 117.659 119.370 -1.711 25515 2654 1 5 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.901 0.026 25515 2655 1 5 . 1 1 78 78 LYS C C 78 174.237 174.237 177.268 -3.031 25515 2656 1 5 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.227 0.186 25515 2657 1 5 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.564 1.078 25515 2658 1 5 . 1 1 78 78 LYS H H 78 7.378 7.378 7.886 -0.508 25515 2659 1 5 . 1 1 79 79 TYR N N 79 115.151 115.151 115.209 -0.058 25515 2660 1 5 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.579 0.042 25515 2661 1 5 . 1 1 79 79 TYR C C 79 175.424 175.424 177.325 -1.901 25515 2662 1 5 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.956 -2.383 25515 2663 1 5 . 1 1 79 79 TYR H H 79 8.505 8.505 8.367 0.138 25515 2664 1 5 . 1 1 80 80 GLY N N 80 110.813 110.813 108.062 2.751 25515 2665 1 5 . 1 1 80 80 GLY C C 80 177.481 177.481 174.947 2.534 25515 2666 1 5 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.220 -0.675 25515 2667 1 5 . 1 1 80 80 GLY H H 80 8.222 8.222 8.515 -0.293 25515 2668 1 5 . 1 1 81 81 SER N N 81 117.578 117.578 115.868 1.710 25515 2669 1 5 . 1 1 81 81 SER C C 81 174.532 174.532 176.327 -1.795 25515 2670 1 5 . 1 1 81 81 SER CA C 81 61.579 61.579 58.809 2.770 25515 2671 1 5 . 1 1 81 81 SER H H 81 8.883 8.883 8.140 0.743 25515 2672 1 5 . 1 1 82 82 LEU N N 82 123.998 123.998 122.403 1.595 25515 2673 1 5 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.585 -0.314 25515 2674 1 5 . 1 1 82 82 LEU C C 82 173.400 173.400 178.646 -5.246 25515 2675 1 5 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.829 1.103 25515 2676 1 5 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.932 -0.545 25515 2677 1 5 . 1 1 82 82 LEU H H 82 8.920 8.920 8.055 0.865 25515 2678 1 5 . 1 1 83 83 GLY N N 83 105.677 105.677 106.724 -1.047 25515 2679 1 5 . 1 1 83 83 GLY C C 83 177.230 177.230 176.333 0.897 25515 2680 1 5 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.917 -0.270 25515 2681 1 5 . 1 1 83 83 GLY H H 83 7.565 7.565 9.175 -1.610 25515 2682 1 5 . 1 1 84 84 LEU N N 84 119.542 119.542 121.324 -1.782 25515 2683 1 5 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.219 -0.160 25515 2684 1 5 . 1 1 84 84 LEU C C 84 173.036 173.036 177.697 -4.661 25515 2685 1 5 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.876 0.557 25515 2686 1 5 . 1 1 84 84 LEU H H 84 7.495 7.495 7.803 -0.308 25515 2687 1 5 . 1 1 85 85 TYR N N 85 121.424 121.424 117.609 3.815 25515 2688 1 5 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.462 -0.204 25515 2689 1 5 . 1 1 85 85 TYR CA C 85 60.970 60.970 59.952 1.018 25515 2690 1 5 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.755 -0.447 25515 2691 1 5 . 1 1 85 85 TYR H H 85 7.894 7.894 7.763 0.131 25515 2692 1 5 . 1 1 86 86 VAL N N 86 120.088 120.088 119.960 0.128 25515 2693 1 5 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.102 0.174 25515 2694 1 5 . 1 1 86 86 VAL C C 86 174.300 174.300 177.291 -2.991 25515 2695 1 5 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.073 2.236 25515 2696 1 5 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.273 0.401 25515 2697 1 5 . 1 1 86 86 VAL H H 86 8.402 8.402 8.069 0.333 25515 2698 1 5 . 1 1 87 87 ALA N N 87 121.800 121.800 120.781 1.019 25515 2699 1 5 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.143 -0.406 25515 2700 1 5 . 1 1 87 87 ALA C C 87 172.312 172.312 178.861 -6.549 25515 2701 1 5 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.705 -0.262 25515 2702 1 5 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.312 0.089 25515 2703 1 5 . 1 1 87 87 ALA H H 87 8.317 8.317 7.735 0.582 25515 2704 1 5 . 1 1 88 88 GLU N N 88 118.012 118.012 117.754 0.258 25515 2705 1 5 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.931 -0.056 25515 2706 1 5 . 1 1 88 88 GLU C C 88 174.071 174.071 178.954 -4.883 25515 2707 1 5 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.998 -0.232 25515 2708 1 5 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.621 -0.072 25515 2709 1 5 . 1 1 88 88 GLU H H 88 7.777 7.777 7.558 0.219 25515 2710 1 5 . 1 1 89 89 GLN N N 89 116.164 116.164 116.824 -0.660 25515 2711 1 5 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.070 -0.359 25515 2712 1 5 . 1 1 89 89 GLN C C 89 174.572 174.572 177.645 -3.073 25515 2713 1 5 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.706 -0.661 25515 2714 1 5 . 1 1 89 89 GLN CB C 89 28.664 28.664 28.687 -0.023 25515 2715 1 5 . 1 1 89 89 GLN H H 89 7.704 7.704 7.678 0.026 25515 2716 1 5 . 1 1 90 90 PHE N N 90 114.734 114.734 119.170 -4.436 25515 2717 1 5 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.467 0.243 25515 2718 1 5 . 1 1 90 90 PHE C C 90 175.715 175.715 176.022 -0.307 25515 2719 1 5 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.299 -1.894 25515 2720 1 5 . 1 1 90 90 PHE CB C 90 40.203 40.203 39.909 0.294 25515 2721 1 5 . 1 1 90 90 PHE H H 90 8.241 8.241 8.093 0.148 25515 2722 1 5 . 1 1 91 91 GLY N N 91 111.234 111.234 106.222 5.012 25515 2723 1 5 . 1 1 91 91 GLY C C 91 176.788 176.788 174.295 2.493 25515 2724 1 5 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.656 0.514 25515 2725 1 5 . 1 1 91 91 GLY H H 91 7.668 7.668 7.304 0.364 25515 2726 1 5 . 1 1 92 92 GLU N N 92 123.392 123.392 124.057 -0.665 25515 2727 1 5 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.873 -0.031 25515 2728 1 5 . 1 1 92 92 GLU C C 92 174.798 174.798 177.807 -3.009 25515 2729 1 5 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.880 -0.622 25515 2730 1 5 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.729 -0.111 25515 2731 1 5 . 1 1 92 92 GLU H H 92 8.793 8.793 8.835 -0.042 25515 2732 1 5 . 1 1 93 93 GLU N N 93 118.621 118.621 116.524 2.097 25515 2733 1 5 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.155 0.030 25515 2734 1 5 . 1 1 93 93 GLU C C 93 175.143 175.143 177.356 -2.213 25515 2735 1 5 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.068 -0.183 25515 2736 1 5 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.928 0.139 25515 2737 1 5 . 1 1 93 93 GLU H H 93 9.356 9.356 8.708 0.648 25515 2738 1 5 . 1 1 94 94 ASN N N 94 116.563 116.563 118.150 -1.587 25515 2739 1 5 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.826 0.085 25515 2740 1 5 . 1 1 94 94 ASN C C 94 176.192 176.192 177.665 -1.473 25515 2741 1 5 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.611 -1.300 25515 2742 1 5 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.294 0.450 25515 2743 1 5 . 1 1 94 94 ASN H H 94 7.881 7.881 7.708 0.173 25515 2744 1 5 . 1 1 95 95 VAL N N 95 119.858 119.858 118.603 1.255 25515 2745 1 5 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.697 0.043 25515 2746 1 5 . 1 1 95 95 VAL C C 95 175.715 175.715 176.899 -1.184 25515 2747 1 5 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.864 -1.366 25515 2748 1 5 . 1 1 95 95 VAL CB C 95 31.966 31.966 30.639 1.327 25515 2749 1 5 . 1 1 95 95 VAL H H 95 7.405 7.405 8.489 -1.084 25515 2750 1 5 . 1 1 96 96 ASN N N 96 116.409 116.409 117.340 -0.931 25515 2751 1 5 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.573 -0.115 25515 2752 1 5 . 1 1 96 96 ASN C C 96 175.322 175.322 176.863 -1.541 25515 2753 1 5 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.681 0.037 25515 2754 1 5 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.324 -0.108 25515 2755 1 5 . 1 1 96 96 ASN H H 96 8.356 8.356 8.117 0.239 25515 2756 1 5 . 1 1 97 97 THR N N 97 111.266 111.266 113.075 -1.809 25515 2757 1 5 . 1 1 97 97 THR HA H 97 3.993 3.993 4.095 -0.102 25515 2758 1 5 . 1 1 97 97 THR C C 97 177.418 177.418 175.883 1.535 25515 2759 1 5 . 1 1 97 97 THR CA C 97 63.604 63.604 65.471 -1.867 25515 2760 1 5 . 1 1 97 97 THR CB C 97 69.162 69.162 69.117 0.045 25515 2761 1 5 . 1 1 97 97 THR H H 97 7.575 7.575 8.403 -0.828 25515 2762 1 5 . 1 1 98 98 TYR N N 98 119.963 119.963 120.387 -0.424 25515 2763 1 5 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.341 -0.019 25515 2764 1 5 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.752 -0.554 25515 2765 1 5 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.553 -0.309 25515 2766 1 5 . 1 1 98 98 TYR H H 98 7.480 7.480 7.803 -0.323 25515 2767 1 5 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.401 0.159 25515 2768 1 5 . 1 1 99 99 PHE C C 99 177.317 177.317 176.034 1.283 25515 2769 1 5 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.370 -0.377 25515 2770 1 5 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.978 0.663 25515 2771 1 6 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.593 -0.302 25515 2772 1 6 . 1 1 2 2 ALA C C 2 175.019 175.019 175.815 -0.796 25515 2773 1 6 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.092 1.479 25515 2774 1 6 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.125 -0.006 25515 2775 1 6 . 1 1 3 3 ASP N N 3 120.192 120.192 121.490 -1.298 25515 2776 1 6 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.692 -0.207 25515 2777 1 6 . 1 1 3 3 ASP C C 3 175.549 175.549 176.018 -0.469 25515 2778 1 6 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.273 0.979 25515 2779 1 6 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.369 -1.137 25515 2780 1 6 . 1 1 3 3 ASP H H 3 8.336 8.336 8.421 -0.085 25515 2781 1 6 . 1 1 4 4 GLN N N 4 121.286 121.286 123.347 -2.061 25515 2782 1 6 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.205 -0.003 25515 2783 1 6 . 1 1 4 4 GLN C C 4 175.579 175.579 176.382 -0.803 25515 2784 1 6 . 1 1 4 4 GLN CA C 4 56.326 56.326 56.869 -0.543 25515 2785 1 6 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.158 -0.041 25515 2786 1 6 . 1 1 4 4 GLN H H 4 8.404 8.404 8.621 -0.217 25515 2787 1 6 . 1 1 5 5 ARG N N 5 121.138 121.138 124.295 -3.157 25515 2788 1 6 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.133 0.031 25515 2789 1 6 . 1 1 5 5 ARG C C 5 175.327 175.327 176.388 -1.061 25515 2790 1 6 . 1 1 5 5 ARG CA C 5 56.776 56.776 57.087 -0.311 25515 2791 1 6 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.301 0.210 25515 2792 1 6 . 1 1 5 5 ARG H H 5 8.281 8.281 8.760 -0.479 25515 2793 1 6 . 1 1 6 6 GLN N N 6 120.348 120.348 119.442 0.906 25515 2794 1 6 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.502 -0.313 25515 2795 1 6 . 1 1 6 6 GLN C C 6 175.838 175.838 175.524 0.314 25515 2796 1 6 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.700 1.508 25515 2797 1 6 . 1 1 6 6 GLN CB C 6 29.131 29.131 30.768 -1.637 25515 2798 1 6 . 1 1 6 6 GLN H H 6 8.253 8.253 7.931 0.322 25515 2799 1 6 . 1 1 7 7 ARG N N 7 121.761 121.761 124.724 -2.963 25515 2800 1 6 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.232 0.009 25515 2801 1 6 . 1 1 7 7 ARG C C 7 175.708 175.708 177.868 -2.160 25515 2802 1 6 . 1 1 7 7 ARG CA C 7 56.336 56.336 57.991 -1.655 25515 2803 1 6 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.079 0.692 25515 2804 1 6 . 1 1 7 7 ARG H H 7 8.211 8.211 8.678 -0.467 25515 2805 1 6 . 1 1 8 8 SER N N 8 116.450 116.450 114.008 2.442 25515 2806 1 6 . 1 1 8 8 SER HA H 8 4.384 4.384 4.300 0.084 25515 2807 1 6 . 1 1 8 8 SER C C 8 177.569 177.569 174.770 2.799 25515 2808 1 6 . 1 1 8 8 SER CA C 8 58.298 58.298 60.171 -1.873 25515 2809 1 6 . 1 1 8 8 SER CB C 8 63.786 63.786 62.271 1.515 25515 2810 1 6 . 1 1 8 8 SER H H 8 8.220 8.220 8.578 -0.358 25515 2811 1 6 . 1 1 9 9 LEU N N 9 123.709 123.709 114.449 9.260 25515 2812 1 6 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.549 -0.195 25515 2813 1 6 . 1 1 9 9 LEU C C 9 174.915 174.915 178.122 -3.207 25515 2814 1 6 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.506 -0.530 25515 2815 1 6 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.479 1.199 25515 2816 1 6 . 1 1 9 9 LEU H H 9 8.091 8.091 7.311 0.780 25515 2817 1 6 . 1 1 10 10 SER N N 10 115.478 115.478 118.958 -3.480 25515 2818 1 6 . 1 1 10 10 SER HA H 10 4.561 4.561 4.207 0.354 25515 2819 1 6 . 1 1 10 10 SER C C 10 177.096 177.096 175.651 1.445 25515 2820 1 6 . 1 1 10 10 SER CA C 10 58.016 58.016 61.670 -3.654 25515 2821 1 6 . 1 1 10 10 SER CB C 10 64.062 64.062 63.077 0.985 25515 2822 1 6 . 1 1 10 10 SER H H 10 8.187 8.187 8.138 0.049 25515 2823 1 6 . 1 1 11 11 THR N N 11 114.393 114.393 115.015 -0.622 25515 2824 1 6 . 1 1 11 11 THR HA H 11 4.516 4.516 4.464 0.052 25515 2825 1 6 . 1 1 11 11 THR C C 11 177.232 177.232 174.334 2.898 25515 2826 1 6 . 1 1 11 11 THR CA C 11 61.740 61.740 61.375 0.365 25515 2827 1 6 . 1 1 11 11 THR CB C 11 69.478 69.478 69.047 0.431 25515 2828 1 6 . 1 1 11 11 THR H H 11 8.180 8.180 8.228 -0.048 25515 2829 1 6 . 1 1 12 12 SER N N 12 117.125 117.125 120.570 -3.445 25515 2830 1 6 . 1 1 12 12 SER HA H 12 4.391 4.391 4.370 0.021 25515 2831 1 6 . 1 1 12 12 SER C C 12 176.856 176.856 175.739 1.117 25515 2832 1 6 . 1 1 12 12 SER CA C 12 58.537 58.537 58.924 -0.387 25515 2833 1 6 . 1 1 12 12 SER CB C 12 63.915 63.915 63.612 0.303 25515 2834 1 6 . 1 1 12 12 SER H H 12 8.171 8.171 8.719 -0.548 25515 2835 1 6 . 1 1 13 13 GLY N N 13 111.544 111.544 108.615 2.929 25515 2836 1 6 . 1 1 13 13 GLY C C 13 178.243 178.243 173.770 4.473 25515 2837 1 6 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.978 0.502 25515 2838 1 6 . 1 1 13 13 GLY H H 13 8.381 8.381 7.972 0.409 25515 2839 1 6 . 1 1 14 14 GLU N N 14 119.223 119.223 118.425 0.798 25515 2840 1 6 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.566 -0.126 25515 2841 1 6 . 1 1 14 14 GLU C C 14 174.876 174.876 175.752 -0.876 25515 2842 1 6 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.729 0.695 25515 2843 1 6 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.037 -0.059 25515 2844 1 6 . 1 1 14 14 GLU H H 14 8.149 8.149 7.785 0.364 25515 2845 1 6 . 1 1 15 15 SER N N 15 117.752 117.752 119.004 -1.252 25515 2846 1 6 . 1 1 15 15 SER H H 15 8.437 8.437 9.169 -0.732 25515 2847 1 6 . 1 1 16 16 LEU N N 16 121.072 121.072 120.920 0.152 25515 2848 1 6 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.077 -0.216 25515 2849 1 6 . 1 1 16 16 LEU C C 16 174.423 174.423 178.900 -4.477 25515 2850 1 6 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.906 -0.480 25515 2851 1 6 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.058 0.618 25515 2852 1 6 . 1 1 16 16 LEU H H 16 8.233 8.233 8.438 -0.205 25515 2853 1 6 . 1 1 17 17 TYR N N 17 111.961 111.961 116.291 -4.330 25515 2854 1 6 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.055 -0.393 25515 2855 1 6 . 1 1 17 17 TYR C C 17 173.256 173.256 177.932 -4.676 25515 2856 1 6 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.542 -0.676 25515 2857 1 6 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.613 -0.206 25515 2858 1 6 . 1 1 17 17 TYR H H 17 6.929 6.929 7.801 -0.872 25515 2859 1 6 . 1 1 18 18 HIS N N 18 119.254 119.254 118.424 0.830 25515 2860 1 6 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.379 0.060 25515 2861 1 6 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.129 -0.215 25515 2862 1 6 . 1 1 18 18 HIS CB C 18 29.615 29.615 29.997 -0.383 25515 2863 1 6 . 1 1 18 18 HIS H H 18 7.672 7.672 8.240 -0.568 25515 2864 1 6 . 1 1 19 19 VAL N N 19 120.746 120.746 118.388 2.358 25515 2865 1 6 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.826 -0.121 25515 2866 1 6 . 1 1 19 19 VAL C C 19 175.643 175.643 176.513 -0.870 25515 2867 1 6 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.660 -0.127 25515 2868 1 6 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.857 -0.392 25515 2869 1 6 . 1 1 19 19 VAL H H 19 7.883 7.883 7.940 -0.057 25515 2870 1 6 . 1 1 20 20 LEU N N 20 114.576 114.576 116.625 -2.049 25515 2871 1 6 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.395 -0.034 25515 2872 1 6 . 1 1 20 20 LEU C C 20 175.746 175.746 176.672 -0.926 25515 2873 1 6 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.296 -1.015 25515 2874 1 6 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.230 0.670 25515 2875 1 6 . 1 1 20 20 LEU H H 20 6.626 6.626 7.374 -0.748 25515 2876 1 6 . 1 1 21 21 GLY N N 21 109.239 109.239 107.042 2.197 25515 2877 1 6 . 1 1 21 21 GLY C C 21 177.637 177.637 174.654 2.983 25515 2878 1 6 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.831 0.452 25515 2879 1 6 . 1 1 21 21 GLY H H 21 7.991 7.991 7.501 0.490 25515 2880 1 6 . 1 1 22 22 LEU N N 22 119.495 119.495 114.389 5.106 25515 2881 1 6 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.943 -0.176 25515 2882 1 6 . 1 1 22 22 LEU C C 22 177.306 177.306 175.576 1.730 25515 2883 1 6 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.560 0.322 25515 2884 1 6 . 1 1 22 22 LEU CB C 22 45.907 45.907 44.203 1.704 25515 2885 1 6 . 1 1 22 22 LEU H H 22 7.765 7.765 7.578 0.187 25515 2886 1 6 . 1 1 23 23 ASP N N 23 118.518 118.518 118.251 0.267 25515 2887 1 6 . 1 1 23 23 ASP HA H 23 4.589 4.589 5.174 -0.585 25515 2888 1 6 . 1 1 23 23 ASP C C 23 176.597 176.597 177.780 -1.183 25515 2889 1 6 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.742 -0.711 25515 2890 1 6 . 1 1 23 23 ASP CB C 23 43.481 43.481 43.454 0.027 25515 2891 1 6 . 1 1 23 23 ASP H H 23 7.977 7.977 8.296 -0.319 25515 2892 1 6 . 1 1 24 24 LYS N N 24 115.499 115.499 118.743 -3.244 25515 2893 1 6 . 1 1 24 24 LYS HA H 24 2.152 2.152 2.527 -0.375 25515 2894 1 6 . 1 1 24 24 LYS C C 24 176.231 176.231 176.152 0.079 25515 2895 1 6 . 1 1 24 24 LYS CA C 24 57.067 57.067 58.155 -1.088 25515 2896 1 6 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.256 1.106 25515 2897 1 6 . 1 1 24 24 LYS H H 24 7.811 7.811 8.375 -0.564 25515 2898 1 6 . 1 1 25 25 ASN N N 25 115.622 115.622 115.049 0.573 25515 2899 1 6 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.733 -0.208 25515 2900 1 6 . 1 1 25 25 ASN C C 25 176.698 176.698 175.313 1.385 25515 2901 1 6 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.889 -0.016 25515 2902 1 6 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.306 -0.232 25515 2903 1 6 . 1 1 25 25 ASN H H 25 7.817 7.817 7.716 0.101 25515 2904 1 6 . 1 1 26 26 ALA N N 26 122.970 122.970 123.855 -0.885 25515 2905 1 6 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.241 0.118 25515 2906 1 6 . 1 1 26 26 ALA C C 26 173.847 173.847 176.524 -2.677 25515 2907 1 6 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.664 0.253 25515 2908 1 6 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.646 1.321 25515 2909 1 6 . 1 1 26 26 ALA H H 26 7.646 7.646 7.623 0.023 25515 2910 1 6 . 1 1 27 27 THR N N 27 113.252 113.252 113.149 0.103 25515 2911 1 6 . 1 1 27 27 THR HA H 27 4.657 4.657 4.617 0.040 25515 2912 1 6 . 1 1 27 27 THR C C 27 175.986 175.986 176.092 -0.106 25515 2913 1 6 . 1 1 27 27 THR CA C 27 60.427 60.427 60.509 -0.082 25515 2914 1 6 . 1 1 27 27 THR CB C 27 71.702 71.702 71.362 0.340 25515 2915 1 6 . 1 1 27 27 THR H H 27 9.089 9.089 8.182 0.907 25515 2916 1 6 . 1 1 28 28 SER N N 28 115.961 115.961 118.073 -2.112 25515 2917 1 6 . 1 1 28 28 SER HA H 28 3.930 3.930 4.028 -0.098 25515 2918 1 6 . 1 1 28 28 SER C C 28 175.440 175.440 176.032 -0.592 25515 2919 1 6 . 1 1 28 28 SER CA C 28 62.515 62.515 62.297 0.218 25515 2920 1 6 . 1 1 28 28 SER CB C 28 62.713 62.713 62.929 -0.216 25515 2921 1 6 . 1 1 28 28 SER H H 28 9.095 9.095 8.844 0.251 25515 2922 1 6 . 1 1 29 29 ASP N N 29 119.797 119.797 123.354 -3.557 25515 2923 1 6 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.376 0.027 25515 2924 1 6 . 1 1 29 29 ASP C C 29 173.862 173.862 178.317 -4.455 25515 2925 1 6 . 1 1 29 29 ASP CA C 29 57.783 57.783 58.363 -0.580 25515 2926 1 6 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.501 0.550 25515 2927 1 6 . 1 1 29 29 ASP H H 29 8.122 8.122 8.528 -0.406 25515 2928 1 6 . 1 1 30 30 ASP N N 30 120.847 120.847 119.858 0.989 25515 2929 1 6 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.508 -0.161 25515 2930 1 6 . 1 1 30 30 ASP C C 30 172.627 172.627 178.767 -6.140 25515 2931 1 6 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.835 -0.146 25515 2932 1 6 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.950 0.032 25515 2933 1 6 . 1 1 30 30 ASP H H 30 7.851 7.851 7.703 0.148 25515 2934 1 6 . 1 1 31 31 ILE N N 31 121.776 121.776 120.911 0.865 25515 2935 1 6 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.626 -0.110 25515 2936 1 6 . 1 1 31 31 ILE C C 31 174.709 174.709 177.964 -3.255 25515 2937 1 6 . 1 1 31 31 ILE CA C 31 65.486 65.486 66.063 -0.577 25515 2938 1 6 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.944 0.297 25515 2939 1 6 . 1 1 31 31 ILE H H 31 8.122 8.122 8.448 -0.326 25515 2940 1 6 . 1 1 32 32 LYS N N 32 119.510 119.510 120.175 -0.665 25515 2941 1 6 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.393 -0.316 25515 2942 1 6 . 1 1 32 32 LYS C C 32 172.959 172.959 179.238 -6.279 25515 2943 1 6 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.910 0.925 25515 2944 1 6 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.580 -0.076 25515 2945 1 6 . 1 1 32 32 LYS H H 32 8.172 8.172 8.293 -0.121 25515 2946 1 6 . 1 1 33 33 LYS N N 33 119.042 119.042 120.327 -1.285 25515 2947 1 6 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.059 -0.091 25515 2948 1 6 . 1 1 33 33 LYS C C 33 172.323 172.323 179.167 -6.844 25515 2949 1 6 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.690 0.316 25515 2950 1 6 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.371 0.342 25515 2951 1 6 . 1 1 33 33 LYS H H 33 8.342 8.342 8.129 0.213 25515 2952 1 6 . 1 1 34 34 SER N N 34 115.060 115.060 116.030 -0.970 25515 2953 1 6 . 1 1 34 34 SER HA H 34 4.260 4.260 4.193 0.067 25515 2954 1 6 . 1 1 34 34 SER C C 34 175.503 175.503 176.427 -0.924 25515 2955 1 6 . 1 1 34 34 SER CA C 34 61.734 61.734 62.038 -0.304 25515 2956 1 6 . 1 1 34 34 SER CB C 34 63.088 63.088 63.014 0.074 25515 2957 1 6 . 1 1 34 34 SER H H 34 8.161 8.161 8.234 -0.073 25515 2958 1 6 . 1 1 35 35 TYR N N 35 119.241 119.241 122.946 -3.705 25515 2959 1 6 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.135 -0.261 25515 2960 1 6 . 1 1 35 35 TYR C C 35 176.352 176.352 177.043 -0.691 25515 2961 1 6 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.435 0.434 25515 2962 1 6 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.404 0.386 25515 2963 1 6 . 1 1 35 35 TYR H H 35 8.499 8.499 8.013 0.486 25515 2964 1 6 . 1 1 36 36 ARG N N 36 116.674 116.674 117.806 -1.132 25515 2965 1 6 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.511 -0.058 25515 2966 1 6 . 1 1 36 36 ARG C C 36 173.135 173.135 178.631 -5.496 25515 2967 1 6 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.349 1.262 25515 2968 1 6 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.268 0.611 25515 2969 1 6 . 1 1 36 36 ARG H H 36 7.967 7.967 7.865 0.102 25515 2970 1 6 . 1 1 37 37 LYS N N 37 116.974 116.974 119.349 -2.375 25515 2971 1 6 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.987 -0.017 25515 2972 1 6 . 1 1 37 37 LYS C C 37 172.489 172.489 179.673 -7.184 25515 2973 1 6 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.398 -0.021 25515 2974 1 6 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.233 0.523 25515 2975 1 6 . 1 1 37 37 LYS H H 37 7.275 7.275 8.046 -0.771 25515 2976 1 6 . 1 1 38 38 LEU N N 38 120.978 120.978 118.623 2.355 25515 2977 1 6 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.321 -0.298 25515 2978 1 6 . 1 1 38 38 LEU C C 38 173.557 173.557 178.315 -4.758 25515 2979 1 6 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.515 0.889 25515 2980 1 6 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.196 0.172 25515 2981 1 6 . 1 1 38 38 LEU H H 38 8.268 8.268 7.775 0.493 25515 2982 1 6 . 1 1 39 39 ALA N N 39 122.700 122.700 123.203 -0.503 25515 2983 1 6 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.769 0.116 25515 2984 1 6 . 1 1 39 39 ALA C C 39 172.721 172.721 179.033 -6.312 25515 2985 1 6 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.358 0.082 25515 2986 1 6 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.244 -1.294 25515 2987 1 6 . 1 1 39 39 ALA H H 39 9.043 9.043 8.350 0.693 25515 2988 1 6 . 1 1 40 40 LEU N N 40 114.462 114.462 114.106 0.356 25515 2989 1 6 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.891 0.141 25515 2990 1 6 . 1 1 40 40 LEU C C 40 173.110 173.110 179.135 -6.025 25515 2991 1 6 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.636 0.673 25515 2992 1 6 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.053 1.981 25515 2993 1 6 . 1 1 40 40 LEU H H 40 6.862 6.862 7.379 -0.517 25515 2994 1 6 . 1 1 41 41 LYS N N 41 118.126 118.126 121.969 -3.843 25515 2995 1 6 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.824 0.018 25515 2996 1 6 . 1 1 41 41 LYS C C 41 173.695 173.695 177.776 -4.081 25515 2997 1 6 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.979 -0.237 25515 2998 1 6 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.399 0.588 25515 2999 1 6 . 1 1 41 41 LYS H H 41 7.135 7.135 7.597 -0.462 25515 3000 1 6 . 1 1 42 42 TYR N N 42 113.902 113.902 114.071 -0.169 25515 3001 1 6 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.592 -0.102 25515 3002 1 6 . 1 1 42 42 TYR C C 42 178.884 178.884 174.326 4.558 25515 3003 1 6 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.904 1.109 25515 3004 1 6 . 1 1 42 42 TYR CB C 42 38.510 38.510 37.856 0.654 25515 3005 1 6 . 1 1 42 42 TYR H H 42 7.756 7.756 8.047 -0.291 25515 3006 1 6 . 1 1 43 43 HIS N N 43 120.909 120.909 122.515 -1.606 25515 3007 1 6 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.095 -0.623 25515 3008 1 6 . 1 1 43 43 HIS CA C 43 56.899 56.899 55.887 1.012 25515 3009 1 6 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.287 -0.162 25515 3010 1 6 . 1 1 43 43 HIS H H 43 7.134 7.134 7.480 -0.346 25515 3011 1 6 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.186 -0.188 25515 3012 1 6 . 1 1 44 44 PRO C C 44 172.774 172.774 177.955 -5.181 25515 3013 1 6 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.716 -0.111 25515 3014 1 6 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.687 -0.077 25515 3015 1 6 . 1 1 45 45 ASP N N 45 121.379 121.379 116.324 5.055 25515 3016 1 6 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.617 -0.260 25515 3017 1 6 . 1 1 45 45 ASP C C 45 173.968 173.968 177.036 -3.068 25515 3018 1 6 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.441 1.330 25515 3019 1 6 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.356 -0.233 25515 3020 1 6 . 1 1 45 45 ASP H H 45 10.727 10.727 8.294 2.433 25515 3021 1 6 . 1 1 46 46 LYS N N 46 115.902 115.902 118.095 -2.193 25515 3022 1 6 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.337 0.021 25515 3023 1 6 . 1 1 46 46 LYS C C 46 176.450 176.450 176.031 0.419 25515 3024 1 6 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.319 -1.545 25515 3025 1 6 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.798 0.391 25515 3026 1 6 . 1 1 46 46 LYS H H 46 7.475 7.475 8.193 -0.718 25515 3027 1 6 . 1 1 47 47 ASN N N 47 117.709 117.709 119.975 -2.266 25515 3028 1 6 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.043 0.107 25515 3029 1 6 . 1 1 47 47 ASN C C 47 170.657 170.657 173.828 -3.171 25515 3030 1 6 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.015 0.525 25515 3031 1 6 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.467 2.089 25515 3032 1 6 . 1 1 47 47 ASN H H 47 7.410 7.410 7.564 -0.154 25515 3033 1 6 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.483 -0.117 25515 3034 1 6 . 1 1 48 48 PRO C C 48 174.739 174.739 176.446 -1.707 25515 3035 1 6 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.363 1.749 25515 3036 1 6 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.386 -0.862 25515 3037 1 6 . 1 1 49 49 ASP N N 49 117.619 117.619 117.134 0.485 25515 3038 1 6 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.514 -0.137 25515 3039 1 6 . 1 1 49 49 ASP C C 49 177.335 177.335 176.096 1.239 25515 3040 1 6 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.100 -0.515 25515 3041 1 6 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.956 -0.702 25515 3042 1 6 . 1 1 49 49 ASP H H 49 8.679 8.679 8.296 0.383 25515 3043 1 6 . 1 1 50 50 ASN N N 50 114.537 114.537 118.401 -3.864 25515 3044 1 6 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.731 0.469 25515 3045 1 6 . 1 1 50 50 ASN C C 50 178.245 178.245 174.421 3.824 25515 3046 1 6 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.204 -2.069 25515 3047 1 6 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.709 0.867 25515 3048 1 6 . 1 1 50 50 ASN H H 50 7.341 7.341 8.274 -0.933 25515 3049 1 6 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.545 -0.181 25515 3050 1 6 . 1 1 51 51 PRO C C 51 173.714 173.714 177.800 -4.086 25515 3051 1 6 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.312 1.306 25515 3052 1 6 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.019 0.083 25515 3053 1 6 . 1 1 52 52 GLU N N 52 118.597 118.597 121.630 -3.033 25515 3054 1 6 . 1 1 52 52 GLU HA H 52 4.188 4.188 3.979 0.209 25515 3055 1 6 . 1 1 52 52 GLU C C 52 173.216 173.216 178.230 -5.014 25515 3056 1 6 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.101 -1.151 25515 3057 1 6 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.417 -0.218 25515 3058 1 6 . 1 1 52 52 GLU H H 52 8.048 8.048 8.713 -0.665 25515 3059 1 6 . 1 1 53 53 ALA N N 53 122.149 122.149 121.127 1.022 25515 3060 1 6 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.367 -0.393 25515 3061 1 6 . 1 1 53 53 ALA C C 53 173.485 173.485 179.504 -6.019 25515 3062 1 6 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.074 -0.003 25515 3063 1 6 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.168 -0.391 25515 3064 1 6 . 1 1 53 53 ALA H H 53 7.606 7.606 8.059 -0.453 25515 3065 1 6 . 1 1 54 54 ALA N N 54 119.475 119.475 121.443 -1.968 25515 3066 1 6 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.239 -0.012 25515 3067 1 6 . 1 1 54 54 ALA C C 54 171.125 171.125 179.441 -8.316 25515 3068 1 6 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.796 0.375 25515 3069 1 6 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.579 -0.732 25515 3070 1 6 . 1 1 54 54 ALA H H 54 7.680 7.680 8.203 -0.523 25515 3071 1 6 . 1 1 55 55 ASP N N 55 120.134 120.134 119.188 0.946 25515 3072 1 6 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.400 0.021 25515 3073 1 6 . 1 1 55 55 ASP C C 55 173.088 173.088 178.692 -5.604 25515 3074 1 6 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.607 -0.201 25515 3075 1 6 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.866 -0.537 25515 3076 1 6 . 1 1 55 55 ASP H H 55 7.983 7.983 8.310 -0.327 25515 3077 1 6 . 1 1 56 56 LYS N N 56 120.915 120.915 120.191 0.724 25515 3078 1 6 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.884 0.026 25515 3079 1 6 . 1 1 56 56 LYS C C 56 173.210 173.210 178.832 -5.622 25515 3080 1 6 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.867 -0.386 25515 3081 1 6 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.655 -0.747 25515 3082 1 6 . 1 1 56 56 LYS H H 56 7.758 7.758 8.264 -0.506 25515 3083 1 6 . 1 1 57 57 PHE N N 57 120.024 120.024 120.116 -0.092 25515 3084 1 6 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.133 -0.128 25515 3085 1 6 . 1 1 57 57 PHE C C 57 174.430 174.430 177.235 -2.805 25515 3086 1 6 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.469 2.071 25515 3087 1 6 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.543 0.545 25515 3088 1 6 . 1 1 57 57 PHE H H 57 8.861 8.861 8.677 0.184 25515 3089 1 6 . 1 1 58 58 LYS N N 58 119.306 119.306 119.919 -0.613 25515 3090 1 6 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.658 0.295 25515 3091 1 6 . 1 1 58 58 LYS C C 58 172.875 172.875 178.579 -5.704 25515 3092 1 6 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.985 -0.124 25515 3093 1 6 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.365 -0.056 25515 3094 1 6 . 1 1 58 58 LYS H H 58 7.846 7.846 8.154 -0.308 25515 3095 1 6 . 1 1 59 59 GLU N N 59 119.732 119.732 118.162 1.570 25515 3096 1 6 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.098 -0.049 25515 3097 1 6 . 1 1 59 59 GLU C C 59 171.935 171.935 179.138 -7.203 25515 3098 1 6 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.019 0.454 25515 3099 1 6 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.219 0.608 25515 3100 1 6 . 1 1 59 59 GLU H H 59 7.732 7.732 8.268 -0.536 25515 3101 1 6 . 1 1 60 60 ILE N N 60 119.074 119.074 121.651 -2.577 25515 3102 1 6 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.722 -0.034 25515 3103 1 6 . 1 1 60 60 ILE C C 60 174.424 174.424 178.230 -3.806 25515 3104 1 6 . 1 1 60 60 ILE CA C 60 65.274 65.274 65.968 -0.694 25515 3105 1 6 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.938 0.509 25515 3106 1 6 . 1 1 60 60 ILE H H 60 8.429 8.429 8.420 0.009 25515 3107 1 6 . 1 1 61 61 ASN N N 61 120.038 120.038 117.034 3.004 25515 3108 1 6 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.453 -0.152 25515 3109 1 6 . 1 1 61 61 ASN C C 61 174.271 174.271 177.221 -2.950 25515 3110 1 6 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.675 0.881 25515 3111 1 6 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.407 -0.124 25515 3112 1 6 . 1 1 61 61 ASN H H 61 8.025 8.025 8.633 -0.608 25515 3113 1 6 . 1 1 62 62 ASN N N 62 119.502 119.502 118.602 0.900 25515 3114 1 6 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.560 -0.250 25515 3115 1 6 . 1 1 62 62 ASN C C 62 176.042 176.042 177.044 -1.002 25515 3116 1 6 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.570 0.978 25515 3117 1 6 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.651 0.070 25515 3118 1 6 . 1 1 62 62 ASN H H 62 8.042 8.042 8.032 0.010 25515 3119 1 6 . 1 1 63 63 ALA N N 63 119.769 119.769 123.043 -3.274 25515 3120 1 6 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.790 -0.104 25515 3121 1 6 . 1 1 63 63 ALA C C 63 173.564 173.564 179.255 -5.691 25515 3122 1 6 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.918 0.622 25515 3123 1 6 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.857 0.649 25515 3124 1 6 . 1 1 63 63 ALA H H 63 7.944 7.944 8.292 -0.348 25515 3125 1 6 . 1 1 64 64 HIS N N 64 115.292 115.292 117.996 -2.704 25515 3126 1 6 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.115 -0.588 25515 3127 1 6 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.234 1.150 25515 3128 1 6 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.426 0.509 25515 3129 1 6 . 1 1 64 64 HIS H H 64 8.055 8.055 8.160 -0.105 25515 3130 1 6 . 1 1 65 65 ALA N N 65 122.093 122.093 120.885 1.208 25515 3131 1 6 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.999 -0.493 25515 3132 1 6 . 1 1 65 65 ALA C C 65 172.454 172.454 178.813 -6.359 25515 3133 1 6 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.242 1.749 25515 3134 1 6 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.554 -1.416 25515 3135 1 6 . 1 1 65 65 ALA H H 65 7.944 7.944 7.710 0.234 25515 3136 1 6 . 1 1 66 66 ILE N N 66 115.954 115.954 117.722 -1.768 25515 3137 1 6 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.684 -0.226 25515 3138 1 6 . 1 1 66 66 ILE C C 66 175.394 175.394 177.993 -2.599 25515 3139 1 6 . 1 1 66 66 ILE CA C 66 63.608 63.608 62.407 1.201 25515 3140 1 6 . 1 1 66 66 ILE CB C 66 37.989 37.989 37.073 0.916 25515 3141 1 6 . 1 1 66 66 ILE H H 66 7.358 7.358 7.708 -0.350 25515 3142 1 6 . 1 1 67 67 LEU N N 67 111.268 111.268 117.687 -6.419 25515 3143 1 6 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.975 -0.300 25515 3144 1 6 . 1 1 67 67 LEU C C 67 174.490 174.490 178.712 -4.222 25515 3145 1 6 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.622 -0.055 25515 3146 1 6 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.922 2.132 25515 3147 1 6 . 1 1 67 67 LEU H H 67 7.743 7.743 7.745 -0.002 25515 3148 1 6 . 1 1 68 68 THR N N 68 103.399 103.399 109.617 -6.218 25515 3149 1 6 . 1 1 68 68 THR HA H 68 4.023 4.023 4.294 -0.271 25515 3150 1 6 . 1 1 68 68 THR C C 68 178.796 178.796 173.621 5.175 25515 3151 1 6 . 1 1 68 68 THR CA C 68 61.672 61.672 61.498 0.174 25515 3152 1 6 . 1 1 68 68 THR CB C 68 69.052 69.052 68.768 0.284 25515 3153 1 6 . 1 1 68 68 THR H H 68 7.104 7.104 7.731 -0.627 25515 3154 1 6 . 1 1 69 69 ASP N N 69 125.057 125.057 122.160 2.897 25515 3155 1 6 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.798 -0.097 25515 3156 1 6 . 1 1 69 69 ASP C C 69 177.204 177.204 175.814 1.390 25515 3157 1 6 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.526 0.233 25515 3158 1 6 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.336 -0.585 25515 3159 1 6 . 1 1 69 69 ASP H H 69 7.076 7.076 7.513 -0.437 25515 3160 1 6 . 1 1 70 70 ALA N N 70 128.178 128.178 128.741 -0.563 25515 3161 1 6 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.031 -0.134 25515 3162 1 6 . 1 1 70 70 ALA C C 70 171.909 171.909 178.887 -6.978 25515 3163 1 6 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.301 0.525 25515 3164 1 6 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.783 -0.309 25515 3165 1 6 . 1 1 70 70 ALA H H 70 8.761 8.761 8.749 0.012 25515 3166 1 6 . 1 1 71 71 THR N N 71 113.629 113.629 114.744 -1.115 25515 3167 1 6 . 1 1 71 71 THR HA H 71 3.981 3.981 4.041 -0.060 25515 3168 1 6 . 1 1 71 71 THR C C 71 175.038 175.038 176.736 -1.698 25515 3169 1 6 . 1 1 71 71 THR CA C 71 66.164 66.164 66.412 -0.248 25515 3170 1 6 . 1 1 71 71 THR CB C 71 68.319 68.319 68.787 -0.468 25515 3171 1 6 . 1 1 71 71 THR H H 71 7.957 7.957 7.839 0.118 25515 3172 1 6 . 1 1 72 72 LYS N N 72 122.501 122.501 121.113 1.388 25515 3173 1 6 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.044 -0.234 25515 3174 1 6 . 1 1 72 72 LYS C C 72 173.814 173.814 179.157 -5.343 25515 3175 1 6 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.778 0.513 25515 3176 1 6 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.258 0.548 25515 3177 1 6 . 1 1 72 72 LYS H H 72 8.309 8.309 8.249 0.060 25515 3178 1 6 . 1 1 73 73 ARG N N 73 120.595 120.595 118.660 1.935 25515 3179 1 6 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.132 -0.529 25515 3180 1 6 . 1 1 73 73 ARG C C 73 174.477 174.477 177.853 -3.376 25515 3181 1 6 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.754 2.075 25515 3182 1 6 . 1 1 73 73 ARG H H 73 9.258 9.258 8.152 1.106 25515 3183 1 6 . 1 1 74 74 ASN N N 74 115.425 115.425 119.174 -3.749 25515 3184 1 6 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.527 -0.096 25515 3185 1 6 . 1 1 74 74 ASN C C 74 174.296 174.296 178.069 -3.773 25515 3186 1 6 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.662 0.048 25515 3187 1 6 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.417 0.313 25515 3188 1 6 . 1 1 74 74 ASN H H 74 7.534 7.534 7.771 -0.237 25515 3189 1 6 . 1 1 75 75 ILE N N 75 119.020 119.020 118.644 0.376 25515 3190 1 6 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.888 -0.255 25515 3191 1 6 . 1 1 75 75 ILE C C 75 174.667 174.667 177.131 -2.464 25515 3192 1 6 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.103 1.402 25515 3193 1 6 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.537 1.688 25515 3194 1 6 . 1 1 75 75 ILE H H 75 7.656 7.656 8.419 -0.763 25515 3195 1 6 . 1 1 76 76 TYR N N 76 121.913 121.913 121.700 0.213 25515 3196 1 6 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.115 -0.100 25515 3197 1 6 . 1 1 76 76 TYR C C 76 173.323 173.323 177.097 -3.774 25515 3198 1 6 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.814 -0.267 25515 3199 1 6 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.171 0.582 25515 3200 1 6 . 1 1 76 76 TYR H H 76 8.894 8.894 7.950 0.944 25515 3201 1 6 . 1 1 77 77 ASP N N 77 120.151 120.151 117.901 2.250 25515 3202 1 6 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.289 0.048 25515 3203 1 6 . 1 1 77 77 ASP C C 77 174.321 174.321 177.488 -3.167 25515 3204 1 6 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.797 1.122 25515 3205 1 6 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.161 -1.176 25515 3206 1 6 . 1 1 77 77 ASP H H 77 9.151 9.151 7.850 1.301 25515 3207 1 6 . 1 1 78 78 LYS N N 78 117.659 117.659 118.480 -0.821 25515 3208 1 6 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.043 -0.116 25515 3209 1 6 . 1 1 78 78 LYS C C 78 174.237 174.237 177.387 -3.150 25515 3210 1 6 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.217 0.196 25515 3211 1 6 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.137 0.505 25515 3212 1 6 . 1 1 78 78 LYS H H 78 7.378 7.378 7.666 -0.288 25515 3213 1 6 . 1 1 79 79 TYR N N 79 115.151 115.151 115.088 0.063 25515 3214 1 6 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.544 0.077 25515 3215 1 6 . 1 1 79 79 TYR C C 79 175.424 175.424 176.665 -1.241 25515 3216 1 6 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.106 -2.533 25515 3217 1 6 . 1 1 79 79 TYR H H 79 8.505 8.505 8.344 0.161 25515 3218 1 6 . 1 1 80 80 GLY N N 80 110.813 110.813 107.075 3.738 25515 3219 1 6 . 1 1 80 80 GLY C C 80 177.481 177.481 175.944 1.537 25515 3220 1 6 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.433 -0.888 25515 3221 1 6 . 1 1 80 80 GLY H H 80 8.222 8.222 8.380 -0.158 25515 3222 1 6 . 1 1 81 81 SER N N 81 117.578 117.578 117.370 0.208 25515 3223 1 6 . 1 1 81 81 SER C C 81 174.532 174.532 176.468 -1.936 25515 3224 1 6 . 1 1 81 81 SER CA C 81 61.579 61.579 61.202 0.377 25515 3225 1 6 . 1 1 81 81 SER H H 81 8.883 8.883 8.574 0.309 25515 3226 1 6 . 1 1 82 82 LEU N N 82 123.998 123.998 121.108 2.890 25515 3227 1 6 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.625 -0.354 25515 3228 1 6 . 1 1 82 82 LEU C C 82 173.400 173.400 178.601 -5.201 25515 3229 1 6 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.841 1.091 25515 3230 1 6 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.660 -0.273 25515 3231 1 6 . 1 1 82 82 LEU H H 82 8.920 8.920 8.043 0.877 25515 3232 1 6 . 1 1 83 83 GLY N N 83 105.677 105.677 107.989 -2.312 25515 3233 1 6 . 1 1 83 83 GLY C C 83 177.230 177.230 176.452 0.778 25515 3234 1 6 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.779 -0.131 25515 3235 1 6 . 1 1 83 83 GLY H H 83 7.565 7.565 8.746 -1.181 25515 3236 1 6 . 1 1 84 84 LEU N N 84 119.542 119.542 122.835 -3.293 25515 3237 1 6 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.200 -0.141 25515 3238 1 6 . 1 1 84 84 LEU C C 84 173.036 173.036 177.956 -4.920 25515 3239 1 6 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.651 -0.218 25515 3240 1 6 . 1 1 84 84 LEU H H 84 7.495 7.495 7.667 -0.172 25515 3241 1 6 . 1 1 85 85 TYR N N 85 121.424 121.424 118.104 3.320 25515 3242 1 6 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.230 0.028 25515 3243 1 6 . 1 1 85 85 TYR CA C 85 60.970 60.970 61.251 -0.281 25515 3244 1 6 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.780 0.528 25515 3245 1 6 . 1 1 85 85 TYR H H 85 7.894 7.894 7.703 0.191 25515 3246 1 6 . 1 1 86 86 VAL N N 86 120.088 120.088 119.202 0.886 25515 3247 1 6 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.301 -0.025 25515 3248 1 6 . 1 1 86 86 VAL C C 86 174.300 174.300 177.354 -3.054 25515 3249 1 6 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.891 1.417 25515 3250 1 6 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.628 0.046 25515 3251 1 6 . 1 1 86 86 VAL H H 86 8.402 8.402 8.215 0.187 25515 3252 1 6 . 1 1 87 87 ALA N N 87 121.800 121.800 122.678 -0.878 25515 3253 1 6 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.100 -0.363 25515 3254 1 6 . 1 1 87 87 ALA C C 87 172.312 172.312 179.316 -7.004 25515 3255 1 6 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.004 -0.561 25515 3256 1 6 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.308 0.093 25515 3257 1 6 . 1 1 87 87 ALA H H 87 8.317 8.317 8.033 0.284 25515 3258 1 6 . 1 1 88 88 GLU N N 88 118.012 118.012 117.450 0.562 25515 3259 1 6 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.914 -0.039 25515 3260 1 6 . 1 1 88 88 GLU C C 88 174.071 174.071 179.140 -5.069 25515 3261 1 6 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.959 -0.193 25515 3262 1 6 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.697 -0.148 25515 3263 1 6 . 1 1 88 88 GLU H H 88 7.777 7.777 8.096 -0.319 25515 3264 1 6 . 1 1 89 89 GLN N N 89 116.164 116.164 116.225 -0.061 25515 3265 1 6 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.083 -0.372 25515 3266 1 6 . 1 1 89 89 GLN C C 89 174.572 174.572 177.466 -2.894 25515 3267 1 6 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.663 -0.618 25515 3268 1 6 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.336 -0.672 25515 3269 1 6 . 1 1 89 89 GLN H H 89 7.704 7.704 7.610 0.094 25515 3270 1 6 . 1 1 90 90 PHE N N 90 114.734 114.734 117.164 -2.430 25515 3271 1 6 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.617 0.093 25515 3272 1 6 . 1 1 90 90 PHE C C 90 175.715 175.715 176.087 -0.372 25515 3273 1 6 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.118 -1.713 25515 3274 1 6 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.730 -0.527 25515 3275 1 6 . 1 1 90 90 PHE H H 90 8.241 8.241 8.232 0.009 25515 3276 1 6 . 1 1 91 91 GLY N N 91 111.234 111.234 107.591 3.643 25515 3277 1 6 . 1 1 91 91 GLY C C 91 176.788 176.788 174.466 2.322 25515 3278 1 6 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.671 0.499 25515 3279 1 6 . 1 1 91 91 GLY H H 91 7.668 7.668 7.465 0.203 25515 3280 1 6 . 1 1 92 92 GLU N N 92 123.392 123.392 124.106 -0.714 25515 3281 1 6 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.866 -0.024 25515 3282 1 6 . 1 1 92 92 GLU C C 92 174.798 174.798 177.757 -2.959 25515 3283 1 6 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.840 -0.582 25515 3284 1 6 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.758 -0.140 25515 3285 1 6 . 1 1 92 92 GLU H H 92 8.793 8.793 8.836 -0.043 25515 3286 1 6 . 1 1 93 93 GLU N N 93 118.621 118.621 116.212 2.409 25515 3287 1 6 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.171 0.014 25515 3288 1 6 . 1 1 93 93 GLU C C 93 175.143 175.143 177.253 -2.110 25515 3289 1 6 . 1 1 93 93 GLU CA C 93 57.885 57.885 57.945 -0.060 25515 3290 1 6 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.818 0.249 25515 3291 1 6 . 1 1 93 93 GLU H H 93 9.356 9.356 8.685 0.671 25515 3292 1 6 . 1 1 94 94 ASN N N 94 116.563 116.563 118.222 -1.659 25515 3293 1 6 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.777 0.134 25515 3294 1 6 . 1 1 94 94 ASN C C 94 176.192 176.192 177.638 -1.446 25515 3295 1 6 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.705 -1.394 25515 3296 1 6 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.186 0.558 25515 3297 1 6 . 1 1 94 94 ASN H H 94 7.881 7.881 7.707 0.174 25515 3298 1 6 . 1 1 95 95 VAL N N 95 119.858 119.858 120.082 -0.224 25515 3299 1 6 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.762 -0.022 25515 3300 1 6 . 1 1 95 95 VAL C C 95 175.715 175.715 176.933 -1.218 25515 3301 1 6 . 1 1 95 95 VAL CA C 95 65.498 65.498 67.016 -1.518 25515 3302 1 6 . 1 1 95 95 VAL CB C 95 31.966 31.966 30.638 1.328 25515 3303 1 6 . 1 1 95 95 VAL H H 95 7.405 7.405 8.482 -1.077 25515 3304 1 6 . 1 1 96 96 ASN N N 96 116.409 116.409 117.709 -1.300 25515 3305 1 6 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.496 -0.038 25515 3306 1 6 . 1 1 96 96 ASN C C 96 175.322 175.322 176.711 -1.389 25515 3307 1 6 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.849 -0.131 25515 3308 1 6 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.151 0.065 25515 3309 1 6 . 1 1 96 96 ASN H H 96 8.356 8.356 8.079 0.278 25515 3310 1 6 . 1 1 97 97 THR N N 97 111.266 111.266 114.466 -3.200 25515 3311 1 6 . 1 1 97 97 THR HA H 97 3.993 3.993 4.064 -0.071 25515 3312 1 6 . 1 1 97 97 THR C C 97 177.418 177.418 175.983 1.435 25515 3313 1 6 . 1 1 97 97 THR CA C 97 63.604 63.604 65.088 -1.484 25515 3314 1 6 . 1 1 97 97 THR CB C 97 69.162 69.162 68.955 0.207 25515 3315 1 6 . 1 1 97 97 THR H H 97 7.575 7.575 8.272 -0.697 25515 3316 1 6 . 1 1 98 98 TYR N N 98 119.963 119.963 117.664 2.299 25515 3317 1 6 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.434 -0.112 25515 3318 1 6 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.357 -0.159 25515 3319 1 6 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.115 0.129 25515 3320 1 6 . 1 1 98 98 TYR H H 98 7.480 7.480 7.673 -0.193 25515 3321 1 6 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.459 0.101 25515 3322 1 6 . 1 1 99 99 PHE C C 99 177.317 177.317 175.966 1.351 25515 3323 1 6 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.647 -0.654 25515 3324 1 6 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.875 0.767 25515 3325 1 7 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.351 -0.060 25515 3326 1 7 . 1 1 2 2 ALA C C 2 175.019 175.019 176.688 -1.669 25515 3327 1 7 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.858 0.713 25515 3328 1 7 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.908 0.211 25515 3329 1 7 . 1 1 3 3 ASP N N 3 120.192 120.192 123.012 -2.820 25515 3330 1 7 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.636 -0.151 25515 3331 1 7 . 1 1 3 3 ASP C C 3 175.549 175.549 175.679 -0.130 25515 3332 1 7 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.168 0.084 25515 3333 1 7 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.667 -0.435 25515 3334 1 7 . 1 1 3 3 ASP H H 3 8.336 8.336 8.442 -0.106 25515 3335 1 7 . 1 1 4 4 GLN N N 4 121.286 121.286 123.180 -1.894 25515 3336 1 7 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.587 -0.385 25515 3337 1 7 . 1 1 4 4 GLN C C 4 175.579 175.579 175.679 -0.100 25515 3338 1 7 . 1 1 4 4 GLN CA C 4 56.326 56.326 54.718 1.608 25515 3339 1 7 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.607 -1.490 25515 3340 1 7 . 1 1 4 4 GLN H H 4 8.404 8.404 8.334 0.070 25515 3341 1 7 . 1 1 5 5 ARG N N 5 121.138 121.138 118.774 2.364 25515 3342 1 7 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.119 0.045 25515 3343 1 7 . 1 1 5 5 ARG C C 5 175.327 175.327 176.955 -1.628 25515 3344 1 7 . 1 1 5 5 ARG CA C 5 56.776 56.776 57.892 -1.116 25515 3345 1 7 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.645 -0.134 25515 3346 1 7 . 1 1 5 5 ARG H H 5 8.281 8.281 8.636 -0.355 25515 3347 1 7 . 1 1 6 6 GLN N N 6 120.348 120.348 117.402 2.946 25515 3348 1 7 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.510 -0.321 25515 3349 1 7 . 1 1 6 6 GLN C C 6 175.838 175.838 176.092 -0.254 25515 3350 1 7 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.658 1.550 25515 3351 1 7 . 1 1 6 6 GLN CB C 6 29.131 29.131 30.360 -1.229 25515 3352 1 7 . 1 1 6 6 GLN H H 6 8.253 8.253 8.053 0.200 25515 3353 1 7 . 1 1 7 7 ARG N N 7 121.761 121.761 123.696 -1.935 25515 3354 1 7 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.073 0.168 25515 3355 1 7 . 1 1 7 7 ARG C C 7 175.708 175.708 177.970 -2.262 25515 3356 1 7 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.833 -2.497 25515 3357 1 7 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.884 0.887 25515 3358 1 7 . 1 1 7 7 ARG H H 7 8.211 8.211 8.873 -0.662 25515 3359 1 7 . 1 1 8 8 SER N N 8 116.450 116.450 114.022 2.428 25515 3360 1 7 . 1 1 8 8 SER HA H 8 4.384 4.384 4.395 -0.011 25515 3361 1 7 . 1 1 8 8 SER C C 8 177.569 177.569 175.822 1.747 25515 3362 1 7 . 1 1 8 8 SER CA C 8 58.298 58.298 60.821 -2.523 25515 3363 1 7 . 1 1 8 8 SER CB C 8 63.786 63.786 62.780 1.006 25515 3364 1 7 . 1 1 8 8 SER H H 8 8.220 8.220 8.435 -0.215 25515 3365 1 7 . 1 1 9 9 LEU N N 9 123.709 123.709 116.899 6.810 25515 3366 1 7 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.465 -0.111 25515 3367 1 7 . 1 1 9 9 LEU C C 9 174.915 174.915 178.432 -3.517 25515 3368 1 7 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.395 -1.419 25515 3369 1 7 . 1 1 9 9 LEU CB C 9 42.678 42.678 40.777 1.901 25515 3370 1 7 . 1 1 9 9 LEU H H 9 8.091 8.091 7.865 0.226 25515 3371 1 7 . 1 1 10 10 SER N N 10 115.478 115.478 114.754 0.724 25515 3372 1 7 . 1 1 10 10 SER HA H 10 4.561 4.561 4.357 0.204 25515 3373 1 7 . 1 1 10 10 SER C C 10 177.096 177.096 174.734 2.362 25515 3374 1 7 . 1 1 10 10 SER CA C 10 58.016 58.016 61.137 -3.121 25515 3375 1 7 . 1 1 10 10 SER CB C 10 64.062 64.062 63.268 0.794 25515 3376 1 7 . 1 1 10 10 SER H H 10 8.187 8.187 7.759 0.428 25515 3377 1 7 . 1 1 11 11 THR N N 11 114.393 114.393 112.541 1.852 25515 3378 1 7 . 1 1 11 11 THR HA H 11 4.516 4.516 4.262 0.254 25515 3379 1 7 . 1 1 11 11 THR C C 11 177.232 177.232 174.042 3.190 25515 3380 1 7 . 1 1 11 11 THR CA C 11 61.740 61.740 61.369 0.371 25515 3381 1 7 . 1 1 11 11 THR CB C 11 69.478 69.478 68.933 0.545 25515 3382 1 7 . 1 1 11 11 THR H H 11 8.180 8.180 7.353 0.828 25515 3383 1 7 . 1 1 12 12 SER N N 12 117.125 117.125 120.781 -3.656 25515 3384 1 7 . 1 1 12 12 SER HA H 12 4.391 4.391 4.529 -0.138 25515 3385 1 7 . 1 1 12 12 SER C C 12 176.856 176.856 175.652 1.204 25515 3386 1 7 . 1 1 12 12 SER CA C 12 58.537 58.537 58.192 0.345 25515 3387 1 7 . 1 1 12 12 SER CB C 12 63.915 63.915 63.382 0.534 25515 3388 1 7 . 1 1 12 12 SER H H 12 8.171 8.171 8.626 -0.455 25515 3389 1 7 . 1 1 13 13 GLY N N 13 111.544 111.544 109.543 2.001 25515 3390 1 7 . 1 1 13 13 GLY C C 13 178.243 178.243 173.461 4.782 25515 3391 1 7 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.154 0.326 25515 3392 1 7 . 1 1 13 13 GLY H H 13 8.381 8.381 8.194 0.187 25515 3393 1 7 . 1 1 14 14 GLU N N 14 119.223 119.223 119.660 -0.437 25515 3394 1 7 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.733 -0.293 25515 3395 1 7 . 1 1 14 14 GLU C C 14 174.876 174.876 175.615 -0.739 25515 3396 1 7 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.490 0.934 25515 3397 1 7 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.353 -0.375 25515 3398 1 7 . 1 1 14 14 GLU H H 14 8.149 8.149 7.914 0.235 25515 3399 1 7 . 1 1 15 15 SER N N 15 117.752 117.752 116.624 1.128 25515 3400 1 7 . 1 1 15 15 SER H H 15 8.437 8.437 8.793 -0.356 25515 3401 1 7 . 1 1 16 16 LEU N N 16 121.072 121.072 122.309 -1.237 25515 3402 1 7 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.082 -0.221 25515 3403 1 7 . 1 1 16 16 LEU C C 16 174.423 174.423 179.109 -4.686 25515 3404 1 7 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.461 -0.036 25515 3405 1 7 . 1 1 16 16 LEU CB C 16 41.676 41.676 40.847 0.829 25515 3406 1 7 . 1 1 16 16 LEU H H 16 8.233 8.233 8.416 -0.183 25515 3407 1 7 . 1 1 17 17 TYR N N 17 111.961 111.961 114.480 -2.519 25515 3408 1 7 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.116 -0.454 25515 3409 1 7 . 1 1 17 17 TYR C C 17 173.256 173.256 178.280 -5.024 25515 3410 1 7 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.123 -0.257 25515 3411 1 7 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.785 -0.378 25515 3412 1 7 . 1 1 17 17 TYR H H 17 6.929 6.929 8.107 -1.178 25515 3413 1 7 . 1 1 18 18 HIS N N 18 119.254 119.254 118.840 0.414 25515 3414 1 7 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.437 0.002 25515 3415 1 7 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.985 -0.071 25515 3416 1 7 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.707 -1.092 25515 3417 1 7 . 1 1 18 18 HIS H H 18 7.672 7.672 7.834 -0.162 25515 3418 1 7 . 1 1 19 19 VAL N N 19 120.746 120.746 118.592 2.154 25515 3419 1 7 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.861 -0.156 25515 3420 1 7 . 1 1 19 19 VAL C C 19 175.643 175.643 177.046 -1.403 25515 3421 1 7 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.191 0.342 25515 3422 1 7 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.974 -0.509 25515 3423 1 7 . 1 1 19 19 VAL H H 19 7.883 7.883 7.723 0.160 25515 3424 1 7 . 1 1 20 20 LEU N N 20 114.576 114.576 119.143 -4.567 25515 3425 1 7 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.459 -0.098 25515 3426 1 7 . 1 1 20 20 LEU C C 20 175.746 175.746 176.804 -1.058 25515 3427 1 7 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.030 -0.749 25515 3428 1 7 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.354 0.546 25515 3429 1 7 . 1 1 20 20 LEU H H 20 6.626 6.626 7.466 -0.840 25515 3430 1 7 . 1 1 21 21 GLY N N 21 109.239 109.239 106.740 2.499 25515 3431 1 7 . 1 1 21 21 GLY C C 21 177.637 177.637 174.214 3.423 25515 3432 1 7 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.770 0.513 25515 3433 1 7 . 1 1 21 21 GLY H H 21 7.991 7.991 7.598 0.393 25515 3434 1 7 . 1 1 22 22 LEU N N 22 119.495 119.495 115.898 3.597 25515 3435 1 7 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.913 -0.146 25515 3436 1 7 . 1 1 22 22 LEU C C 22 177.306 177.306 174.985 2.321 25515 3437 1 7 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.261 -0.379 25515 3438 1 7 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.594 2.312 25515 3439 1 7 . 1 1 22 22 LEU H H 22 7.765 7.765 7.449 0.316 25515 3440 1 7 . 1 1 23 23 ASP N N 23 118.518 118.518 118.996 -0.478 25515 3441 1 7 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.853 -0.264 25515 3442 1 7 . 1 1 23 23 ASP C C 23 176.597 176.597 177.552 -0.955 25515 3443 1 7 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.181 -1.150 25515 3444 1 7 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.160 1.321 25515 3445 1 7 . 1 1 23 23 ASP H H 23 7.977 7.977 8.432 -0.456 25515 3446 1 7 . 1 1 24 24 LYS N N 24 115.499 115.499 117.887 -2.388 25515 3447 1 7 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.314 -1.162 25515 3448 1 7 . 1 1 24 24 LYS C C 24 176.231 176.231 175.557 0.674 25515 3449 1 7 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.771 -0.704 25515 3450 1 7 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.265 1.097 25515 3451 1 7 . 1 1 24 24 LYS H H 24 7.811 7.811 8.536 -0.725 25515 3452 1 7 . 1 1 25 25 ASN N N 25 115.622 115.622 116.632 -1.010 25515 3453 1 7 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.853 -0.328 25515 3454 1 7 . 1 1 25 25 ASN C C 25 176.698 176.698 174.575 2.123 25515 3455 1 7 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.736 0.137 25515 3456 1 7 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.828 -0.754 25515 3457 1 7 . 1 1 25 25 ASN H H 25 7.817 7.817 7.798 0.019 25515 3458 1 7 . 1 1 26 26 ALA N N 26 122.970 122.970 124.126 -1.156 25515 3459 1 7 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.322 0.037 25515 3460 1 7 . 1 1 26 26 ALA C C 26 173.847 173.847 176.138 -2.291 25515 3461 1 7 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.296 0.621 25515 3462 1 7 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.712 1.255 25515 3463 1 7 . 1 1 26 26 ALA H H 26 7.646 7.646 7.489 0.157 25515 3464 1 7 . 1 1 27 27 THR N N 27 113.252 113.252 113.200 0.052 25515 3465 1 7 . 1 1 27 27 THR HA H 27 4.657 4.657 4.580 0.077 25515 3466 1 7 . 1 1 27 27 THR C C 27 175.986 175.986 176.054 -0.068 25515 3467 1 7 . 1 1 27 27 THR CA C 27 60.427 60.427 59.848 0.579 25515 3468 1 7 . 1 1 27 27 THR CB C 27 71.702 71.702 71.504 0.198 25515 3469 1 7 . 1 1 27 27 THR H H 27 9.089 9.089 8.157 0.932 25515 3470 1 7 . 1 1 28 28 SER N N 28 115.961 115.961 117.958 -1.997 25515 3471 1 7 . 1 1 28 28 SER HA H 28 3.930 3.930 4.051 -0.121 25515 3472 1 7 . 1 1 28 28 SER C C 28 175.440 175.440 176.057 -0.617 25515 3473 1 7 . 1 1 28 28 SER CA C 28 62.515 62.515 63.276 -0.761 25515 3474 1 7 . 1 1 28 28 SER CB C 28 62.713 62.713 63.224 -0.511 25515 3475 1 7 . 1 1 28 28 SER H H 28 9.095 9.095 8.852 0.243 25515 3476 1 7 . 1 1 29 29 ASP N N 29 119.797 119.797 121.479 -1.682 25515 3477 1 7 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.463 -0.060 25515 3478 1 7 . 1 1 29 29 ASP C C 29 173.862 173.862 178.187 -4.325 25515 3479 1 7 . 1 1 29 29 ASP CA C 29 57.783 57.783 58.113 -0.330 25515 3480 1 7 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.552 0.499 25515 3481 1 7 . 1 1 29 29 ASP H H 29 8.122 8.122 8.585 -0.463 25515 3482 1 7 . 1 1 30 30 ASP N N 30 120.847 120.847 120.447 0.400 25515 3483 1 7 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.483 -0.136 25515 3484 1 7 . 1 1 30 30 ASP C C 30 172.627 172.627 178.751 -6.124 25515 3485 1 7 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.828 -0.139 25515 3486 1 7 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.872 0.110 25515 3487 1 7 . 1 1 30 30 ASP H H 30 7.851 7.851 7.728 0.123 25515 3488 1 7 . 1 1 31 31 ILE N N 31 121.776 121.776 120.701 1.075 25515 3489 1 7 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.681 -0.165 25515 3490 1 7 . 1 1 31 31 ILE C C 31 174.709 174.709 178.064 -3.355 25515 3491 1 7 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.562 -0.076 25515 3492 1 7 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.955 0.286 25515 3493 1 7 . 1 1 31 31 ILE H H 31 8.122 8.122 8.322 -0.200 25515 3494 1 7 . 1 1 32 32 LYS N N 32 119.510 119.510 119.982 -0.472 25515 3495 1 7 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.390 -0.313 25515 3496 1 7 . 1 1 32 32 LYS C C 32 172.959 172.959 179.158 -6.199 25515 3497 1 7 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.536 1.299 25515 3498 1 7 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.652 -0.148 25515 3499 1 7 . 1 1 32 32 LYS H H 32 8.172 8.172 8.178 -0.006 25515 3500 1 7 . 1 1 33 33 LYS N N 33 119.042 119.042 120.510 -1.468 25515 3501 1 7 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.048 -0.080 25515 3502 1 7 . 1 1 33 33 LYS C C 33 172.323 172.323 179.110 -6.787 25515 3503 1 7 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.644 0.362 25515 3504 1 7 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.441 0.272 25515 3505 1 7 . 1 1 33 33 LYS H H 33 8.342 8.342 8.218 0.124 25515 3506 1 7 . 1 1 34 34 SER N N 34 115.060 115.060 115.689 -0.629 25515 3507 1 7 . 1 1 34 34 SER HA H 34 4.260 4.260 4.165 0.095 25515 3508 1 7 . 1 1 34 34 SER C C 34 175.503 175.503 176.395 -0.892 25515 3509 1 7 . 1 1 34 34 SER CA C 34 61.734 61.734 61.833 -0.099 25515 3510 1 7 . 1 1 34 34 SER CB C 34 63.088 63.088 62.994 0.094 25515 3511 1 7 . 1 1 34 34 SER H H 34 8.161 8.161 8.362 -0.201 25515 3512 1 7 . 1 1 35 35 TYR N N 35 119.241 119.241 122.355 -3.114 25515 3513 1 7 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.113 -0.239 25515 3514 1 7 . 1 1 35 35 TYR C C 35 176.352 176.352 176.865 -0.513 25515 3515 1 7 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.401 0.468 25515 3516 1 7 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.206 0.584 25515 3517 1 7 . 1 1 35 35 TYR H H 35 8.499 8.499 8.023 0.476 25515 3518 1 7 . 1 1 36 36 ARG N N 36 116.674 116.674 117.895 -1.221 25515 3519 1 7 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.522 -0.069 25515 3520 1 7 . 1 1 36 36 ARG C C 36 173.135 173.135 178.441 -5.306 25515 3521 1 7 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.532 1.078 25515 3522 1 7 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.412 0.467 25515 3523 1 7 . 1 1 36 36 ARG H H 36 7.967 7.967 7.740 0.227 25515 3524 1 7 . 1 1 37 37 LYS N N 37 116.974 116.974 118.772 -1.798 25515 3525 1 7 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.978 -0.008 25515 3526 1 7 . 1 1 37 37 LYS C C 37 172.489 172.489 179.516 -7.027 25515 3527 1 7 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.123 0.254 25515 3528 1 7 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.003 0.754 25515 3529 1 7 . 1 1 37 37 LYS H H 37 7.275 7.275 7.754 -0.479 25515 3530 1 7 . 1 1 38 38 LEU N N 38 120.978 120.978 118.721 2.257 25515 3531 1 7 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.342 -0.319 25515 3532 1 7 . 1 1 38 38 LEU C C 38 173.557 173.557 178.423 -4.866 25515 3533 1 7 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.438 0.966 25515 3534 1 7 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.125 0.243 25515 3535 1 7 . 1 1 38 38 LEU H H 38 8.268 8.268 7.627 0.641 25515 3536 1 7 . 1 1 39 39 ALA N N 39 122.700 122.700 122.901 -0.201 25515 3537 1 7 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.844 0.041 25515 3538 1 7 . 1 1 39 39 ALA C C 39 172.721 172.721 178.949 -6.228 25515 3539 1 7 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.274 0.166 25515 3540 1 7 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.266 -1.316 25515 3541 1 7 . 1 1 39 39 ALA H H 39 9.043 9.043 8.184 0.859 25515 3542 1 7 . 1 1 40 40 LEU N N 40 114.462 114.462 113.983 0.479 25515 3543 1 7 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.984 0.048 25515 3544 1 7 . 1 1 40 40 LEU C C 40 173.110 173.110 179.112 -6.002 25515 3545 1 7 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.709 0.600 25515 3546 1 7 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.116 1.918 25515 3547 1 7 . 1 1 40 40 LEU H H 40 6.862 6.862 7.571 -0.709 25515 3548 1 7 . 1 1 41 41 LYS N N 41 118.126 118.126 121.616 -3.490 25515 3549 1 7 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.742 0.100 25515 3550 1 7 . 1 1 41 41 LYS C C 41 173.695 173.695 177.537 -3.842 25515 3551 1 7 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.955 -0.213 25515 3552 1 7 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.245 0.742 25515 3553 1 7 . 1 1 41 41 LYS H H 41 7.135 7.135 7.745 -0.610 25515 3554 1 7 . 1 1 42 42 TYR N N 42 113.902 113.902 113.666 0.236 25515 3555 1 7 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.576 -0.086 25515 3556 1 7 . 1 1 42 42 TYR C C 42 178.884 178.884 174.654 4.230 25515 3557 1 7 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.364 0.649 25515 3558 1 7 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.172 0.338 25515 3559 1 7 . 1 1 42 42 TYR H H 42 7.756 7.756 7.816 -0.060 25515 3560 1 7 . 1 1 43 43 HIS N N 43 120.909 120.909 122.647 -1.738 25515 3561 1 7 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.139 -0.667 25515 3562 1 7 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.180 0.719 25515 3563 1 7 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.331 -0.205 25515 3564 1 7 . 1 1 43 43 HIS H H 43 7.134 7.134 7.623 -0.489 25515 3565 1 7 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.117 -0.119 25515 3566 1 7 . 1 1 44 44 PRO C C 44 172.774 172.774 178.355 -5.581 25515 3567 1 7 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.910 -0.305 25515 3568 1 7 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.640 -0.030 25515 3569 1 7 . 1 1 45 45 ASP N N 45 121.379 121.379 115.930 5.449 25515 3570 1 7 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.479 -0.122 25515 3571 1 7 . 1 1 45 45 ASP C C 45 173.968 173.968 177.033 -3.065 25515 3572 1 7 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.067 1.704 25515 3573 1 7 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.606 -0.483 25515 3574 1 7 . 1 1 45 45 ASP H H 45 10.727 10.727 8.327 2.400 25515 3575 1 7 . 1 1 46 46 LYS N N 46 115.902 115.902 117.621 -1.719 25515 3576 1 7 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.218 0.140 25515 3577 1 7 . 1 1 46 46 LYS C C 46 176.450 176.450 176.574 -0.124 25515 3578 1 7 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.273 -1.499 25515 3579 1 7 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.380 0.809 25515 3580 1 7 . 1 1 46 46 LYS H H 46 7.475 7.475 8.062 -0.587 25515 3581 1 7 . 1 1 47 47 ASN N N 47 117.709 117.709 119.765 -2.056 25515 3582 1 7 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.050 0.100 25515 3583 1 7 . 1 1 47 47 ASN C C 47 170.657 170.657 173.762 -3.105 25515 3584 1 7 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.070 0.470 25515 3585 1 7 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.214 2.342 25515 3586 1 7 . 1 1 47 47 ASN H H 47 7.410 7.410 7.503 -0.093 25515 3587 1 7 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.528 -0.162 25515 3588 1 7 . 1 1 48 48 PRO C C 48 174.739 174.739 176.403 -1.664 25515 3589 1 7 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.488 1.624 25515 3590 1 7 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.538 -1.014 25515 3591 1 7 . 1 1 49 49 ASP N N 49 117.619 117.619 117.206 0.413 25515 3592 1 7 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.487 -0.110 25515 3593 1 7 . 1 1 49 49 ASP C C 49 177.335 177.335 176.170 1.165 25515 3594 1 7 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.261 -0.676 25515 3595 1 7 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.927 -0.673 25515 3596 1 7 . 1 1 49 49 ASP H H 49 8.679 8.679 8.302 0.377 25515 3597 1 7 . 1 1 50 50 ASN N N 50 114.537 114.537 118.062 -3.525 25515 3598 1 7 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.723 0.477 25515 3599 1 7 . 1 1 50 50 ASN C C 50 178.245 178.245 174.205 4.040 25515 3600 1 7 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.792 -1.657 25515 3601 1 7 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.424 1.152 25515 3602 1 7 . 1 1 50 50 ASN H H 50 7.341 7.341 8.208 -0.867 25515 3603 1 7 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.601 -0.237 25515 3604 1 7 . 1 1 51 51 PRO C C 51 173.714 173.714 177.500 -3.786 25515 3605 1 7 . 1 1 51 51 PRO CA C 51 64.618 64.618 62.997 1.621 25515 3606 1 7 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.146 -0.045 25515 3607 1 7 . 1 1 52 52 GLU N N 52 118.597 118.597 121.454 -2.857 25515 3608 1 7 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.071 0.117 25515 3609 1 7 . 1 1 52 52 GLU C C 52 173.216 173.216 177.715 -4.499 25515 3610 1 7 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.383 -1.433 25515 3611 1 7 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.391 -0.192 25515 3612 1 7 . 1 1 52 52 GLU H H 52 8.048 8.048 8.762 -0.714 25515 3613 1 7 . 1 1 53 53 ALA N N 53 122.149 122.149 121.171 0.978 25515 3614 1 7 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.256 -0.282 25515 3615 1 7 . 1 1 53 53 ALA C C 53 173.485 173.485 179.418 -5.933 25515 3616 1 7 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.863 0.208 25515 3617 1 7 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.136 -0.359 25515 3618 1 7 . 1 1 53 53 ALA H H 53 7.606 7.606 8.495 -0.889 25515 3619 1 7 . 1 1 54 54 ALA N N 54 119.475 119.475 121.368 -1.893 25515 3620 1 7 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.157 0.070 25515 3621 1 7 . 1 1 54 54 ALA C C 54 171.125 171.125 179.358 -8.233 25515 3622 1 7 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.853 0.318 25515 3623 1 7 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.608 -0.761 25515 3624 1 7 . 1 1 54 54 ALA H H 54 7.680 7.680 8.127 -0.447 25515 3625 1 7 . 1 1 55 55 ASP N N 55 120.134 120.134 119.219 0.915 25515 3626 1 7 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.329 0.092 25515 3627 1 7 . 1 1 55 55 ASP C C 55 173.088 173.088 178.630 -5.542 25515 3628 1 7 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.795 -0.389 25515 3629 1 7 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.978 -0.649 25515 3630 1 7 . 1 1 55 55 ASP H H 55 7.983 7.983 8.173 -0.190 25515 3631 1 7 . 1 1 56 56 LYS N N 56 120.915 120.915 119.668 1.247 25515 3632 1 7 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.857 0.053 25515 3633 1 7 . 1 1 56 56 LYS C C 56 173.210 173.210 178.830 -5.620 25515 3634 1 7 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.849 -0.368 25515 3635 1 7 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.537 -0.629 25515 3636 1 7 . 1 1 56 56 LYS H H 56 7.758 7.758 7.934 -0.176 25515 3637 1 7 . 1 1 57 57 PHE N N 57 120.024 120.024 119.897 0.127 25515 3638 1 7 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.163 -0.158 25515 3639 1 7 . 1 1 57 57 PHE C C 57 174.430 174.430 177.376 -2.946 25515 3640 1 7 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.564 1.976 25515 3641 1 7 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.544 0.544 25515 3642 1 7 . 1 1 57 57 PHE H H 57 8.861 8.861 8.605 0.256 25515 3643 1 7 . 1 1 58 58 LYS N N 58 119.306 119.306 119.641 -0.335 25515 3644 1 7 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.710 0.243 25515 3645 1 7 . 1 1 58 58 LYS C C 58 172.875 172.875 178.714 -5.839 25515 3646 1 7 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.021 -0.160 25515 3647 1 7 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.375 -0.066 25515 3648 1 7 . 1 1 58 58 LYS H H 58 7.846 7.846 8.141 -0.295 25515 3649 1 7 . 1 1 59 59 GLU N N 59 119.732 119.732 118.684 1.048 25515 3650 1 7 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.126 -0.077 25515 3651 1 7 . 1 1 59 59 GLU C C 59 171.935 171.935 179.054 -7.119 25515 3652 1 7 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.044 0.429 25515 3653 1 7 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.290 0.537 25515 3654 1 7 . 1 1 59 59 GLU H H 59 7.732 7.732 8.148 -0.416 25515 3655 1 7 . 1 1 60 60 ILE N N 60 119.074 119.074 121.903 -2.829 25515 3656 1 7 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.703 -0.015 25515 3657 1 7 . 1 1 60 60 ILE C C 60 174.424 174.424 178.120 -3.696 25515 3658 1 7 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.188 -0.914 25515 3659 1 7 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.874 0.573 25515 3660 1 7 . 1 1 60 60 ILE H H 60 8.429 8.429 8.535 -0.106 25515 3661 1 7 . 1 1 61 61 ASN N N 61 120.038 120.038 117.799 2.239 25515 3662 1 7 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.435 -0.134 25515 3663 1 7 . 1 1 61 61 ASN C C 61 174.271 174.271 177.612 -3.341 25515 3664 1 7 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.088 0.468 25515 3665 1 7 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.217 0.066 25515 3666 1 7 . 1 1 61 61 ASN H H 61 8.025 8.025 8.599 -0.574 25515 3667 1 7 . 1 1 62 62 ASN N N 62 119.502 119.502 118.731 0.771 25515 3668 1 7 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.454 -0.144 25515 3669 1 7 . 1 1 62 62 ASN C C 62 176.042 176.042 177.652 -1.610 25515 3670 1 7 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.187 0.361 25515 3671 1 7 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.630 0.091 25515 3672 1 7 . 1 1 62 62 ASN H H 62 8.042 8.042 7.880 0.162 25515 3673 1 7 . 1 1 63 63 ALA N N 63 119.769 119.769 123.026 -3.257 25515 3674 1 7 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.791 -0.104 25515 3675 1 7 . 1 1 63 63 ALA C C 63 173.564 173.564 178.953 -5.389 25515 3676 1 7 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.933 0.607 25515 3677 1 7 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.758 0.748 25515 3678 1 7 . 1 1 63 63 ALA H H 63 7.944 7.944 8.504 -0.560 25515 3679 1 7 . 1 1 64 64 HIS N N 64 115.292 115.292 117.829 -2.537 25515 3680 1 7 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.114 -0.587 25515 3681 1 7 . 1 1 64 64 HIS CA C 64 60.384 60.384 58.913 1.471 25515 3682 1 7 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.526 0.409 25515 3683 1 7 . 1 1 64 64 HIS H H 64 8.055 8.055 8.430 -0.375 25515 3684 1 7 . 1 1 65 65 ALA N N 65 122.093 122.093 119.411 2.682 25515 3685 1 7 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.000 -0.494 25515 3686 1 7 . 1 1 65 65 ALA C C 65 172.454 172.454 178.100 -5.646 25515 3687 1 7 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.237 1.754 25515 3688 1 7 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.215 -1.077 25515 3689 1 7 . 1 1 65 65 ALA H H 65 7.944 7.944 7.626 0.318 25515 3690 1 7 . 1 1 66 66 ILE N N 66 115.954 115.954 117.708 -1.754 25515 3691 1 7 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.907 -0.449 25515 3692 1 7 . 1 1 66 66 ILE C C 66 175.394 175.394 178.013 -2.619 25515 3693 1 7 . 1 1 66 66 ILE CA C 66 63.608 63.608 62.278 1.330 25515 3694 1 7 . 1 1 66 66 ILE CB C 66 37.989 37.989 37.392 0.597 25515 3695 1 7 . 1 1 66 66 ILE H H 66 7.358 7.358 7.012 0.346 25515 3696 1 7 . 1 1 67 67 LEU N N 67 111.268 111.268 118.050 -6.782 25515 3697 1 7 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.989 -0.314 25515 3698 1 7 . 1 1 67 67 LEU C C 67 174.490 174.490 177.963 -3.473 25515 3699 1 7 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.380 0.187 25515 3700 1 7 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.202 1.852 25515 3701 1 7 . 1 1 67 67 LEU H H 67 7.743 7.743 7.996 -0.253 25515 3702 1 7 . 1 1 68 68 THR N N 68 103.399 103.399 109.694 -6.295 25515 3703 1 7 . 1 1 68 68 THR HA H 68 4.023 4.023 4.237 -0.214 25515 3704 1 7 . 1 1 68 68 THR C C 68 178.796 178.796 173.449 5.347 25515 3705 1 7 . 1 1 68 68 THR CA C 68 61.672 61.672 61.704 -0.032 25515 3706 1 7 . 1 1 68 68 THR CB C 68 69.052 69.052 67.950 1.102 25515 3707 1 7 . 1 1 68 68 THR H H 68 7.104 7.104 7.645 -0.541 25515 3708 1 7 . 1 1 69 69 ASP N N 69 125.057 125.057 121.438 3.619 25515 3709 1 7 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.737 -0.036 25515 3710 1 7 . 1 1 69 69 ASP C C 69 177.204 177.204 175.899 1.305 25515 3711 1 7 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.663 0.096 25515 3712 1 7 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.717 -0.966 25515 3713 1 7 . 1 1 69 69 ASP H H 69 7.076 7.076 7.464 -0.388 25515 3714 1 7 . 1 1 70 70 ALA N N 70 128.178 128.178 127.678 0.500 25515 3715 1 7 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.094 -0.197 25515 3716 1 7 . 1 1 70 70 ALA C C 70 171.909 171.909 178.914 -7.005 25515 3717 1 7 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.038 0.788 25515 3718 1 7 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.884 -0.410 25515 3719 1 7 . 1 1 70 70 ALA H H 70 8.761 8.761 8.655 0.106 25515 3720 1 7 . 1 1 71 71 THR N N 71 113.629 113.629 115.265 -1.636 25515 3721 1 7 . 1 1 71 71 THR HA H 71 3.981 3.981 4.018 -0.037 25515 3722 1 7 . 1 1 71 71 THR C C 71 175.038 175.038 176.506 -1.468 25515 3723 1 7 . 1 1 71 71 THR CA C 71 66.164 66.164 66.347 -0.183 25515 3724 1 7 . 1 1 71 71 THR CB C 71 68.319 68.319 68.910 -0.591 25515 3725 1 7 . 1 1 71 71 THR H H 71 7.957 7.957 8.098 -0.141 25515 3726 1 7 . 1 1 72 72 LYS N N 72 122.501 122.501 120.638 1.863 25515 3727 1 7 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.035 -0.225 25515 3728 1 7 . 1 1 72 72 LYS C C 72 173.814 173.814 178.416 -4.602 25515 3729 1 7 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.497 0.794 25515 3730 1 7 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.251 0.555 25515 3731 1 7 . 1 1 72 72 LYS H H 72 8.309 8.309 9.121 -0.812 25515 3732 1 7 . 1 1 73 73 ARG N N 73 120.595 120.595 118.290 2.305 25515 3733 1 7 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.186 -0.583 25515 3734 1 7 . 1 1 73 73 ARG C C 73 174.477 174.477 177.766 -3.289 25515 3735 1 7 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.550 2.279 25515 3736 1 7 . 1 1 73 73 ARG H H 73 9.258 9.258 7.631 1.627 25515 3737 1 7 . 1 1 74 74 ASN N N 74 115.425 115.425 119.019 -3.594 25515 3738 1 7 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.457 -0.026 25515 3739 1 7 . 1 1 74 74 ASN C C 74 174.296 174.296 177.763 -3.467 25515 3740 1 7 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.813 -0.103 25515 3741 1 7 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.456 0.274 25515 3742 1 7 . 1 1 74 74 ASN H H 74 7.534 7.534 7.862 -0.328 25515 3743 1 7 . 1 1 75 75 ILE N N 75 119.020 119.020 118.088 0.932 25515 3744 1 7 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.828 -0.195 25515 3745 1 7 . 1 1 75 75 ILE C C 75 174.667 174.667 177.209 -2.542 25515 3746 1 7 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.994 1.511 25515 3747 1 7 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.421 1.804 25515 3748 1 7 . 1 1 75 75 ILE H H 75 7.656 7.656 8.363 -0.707 25515 3749 1 7 . 1 1 76 76 TYR N N 76 121.913 121.913 122.683 -0.770 25515 3750 1 7 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.072 -0.057 25515 3751 1 7 . 1 1 76 76 TYR C C 76 173.323 173.323 177.093 -3.770 25515 3752 1 7 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.935 -0.388 25515 3753 1 7 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.364 0.389 25515 3754 1 7 . 1 1 76 76 TYR H H 76 8.894 8.894 7.677 1.217 25515 3755 1 7 . 1 1 77 77 ASP N N 77 120.151 120.151 117.513 2.638 25515 3756 1 7 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.288 0.049 25515 3757 1 7 . 1 1 77 77 ASP C C 77 174.321 174.321 177.674 -3.353 25515 3758 1 7 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.658 1.261 25515 3759 1 7 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.076 -1.091 25515 3760 1 7 . 1 1 77 77 ASP H H 77 9.151 9.151 8.181 0.970 25515 3761 1 7 . 1 1 78 78 LYS N N 78 117.659 117.659 118.324 -0.665 25515 3762 1 7 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.073 -0.146 25515 3763 1 7 . 1 1 78 78 LYS C C 78 174.237 174.237 177.070 -2.833 25515 3764 1 7 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.532 -0.119 25515 3765 1 7 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.479 0.163 25515 3766 1 7 . 1 1 78 78 LYS H H 78 7.378 7.378 7.539 -0.161 25515 3767 1 7 . 1 1 79 79 TYR N N 79 115.151 115.151 114.335 0.816 25515 3768 1 7 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.737 -0.116 25515 3769 1 7 . 1 1 79 79 TYR C C 79 175.424 175.424 177.576 -2.152 25515 3770 1 7 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.136 -2.563 25515 3771 1 7 . 1 1 79 79 TYR H H 79 8.505 8.505 8.448 0.057 25515 3772 1 7 . 1 1 80 80 GLY N N 80 110.813 110.813 107.761 3.052 25515 3773 1 7 . 1 1 80 80 GLY C C 80 177.481 177.481 175.906 1.575 25515 3774 1 7 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.823 -1.278 25515 3775 1 7 . 1 1 80 80 GLY H H 80 8.222 8.222 8.770 -0.548 25515 3776 1 7 . 1 1 81 81 SER N N 81 117.578 117.578 118.069 -0.491 25515 3777 1 7 . 1 1 81 81 SER C C 81 174.532 174.532 176.210 -1.678 25515 3778 1 7 . 1 1 81 81 SER CA C 81 61.579 61.579 60.655 0.924 25515 3779 1 7 . 1 1 81 81 SER H H 81 8.883 8.883 8.096 0.787 25515 3780 1 7 . 1 1 82 82 LEU N N 82 123.998 123.998 122.122 1.876 25515 3781 1 7 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.463 -0.192 25515 3782 1 7 . 1 1 82 82 LEU C C 82 173.400 173.400 178.731 -5.331 25515 3783 1 7 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.301 0.631 25515 3784 1 7 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.667 -0.280 25515 3785 1 7 . 1 1 82 82 LEU H H 82 8.920 8.920 8.147 0.773 25515 3786 1 7 . 1 1 83 83 GLY N N 83 105.677 105.677 106.304 -0.627 25515 3787 1 7 . 1 1 83 83 GLY C C 83 177.230 177.230 176.355 0.875 25515 3788 1 7 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.511 0.137 25515 3789 1 7 . 1 1 83 83 GLY H H 83 7.565 7.565 8.962 -1.397 25515 3790 1 7 . 1 1 84 84 LEU N N 84 119.542 119.542 122.052 -2.510 25515 3791 1 7 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.108 -0.049 25515 3792 1 7 . 1 1 84 84 LEU C C 84 173.036 173.036 178.407 -5.371 25515 3793 1 7 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.187 0.246 25515 3794 1 7 . 1 1 84 84 LEU H H 84 7.495 7.495 7.583 -0.088 25515 3795 1 7 . 1 1 85 85 TYR N N 85 121.424 121.424 119.946 1.478 25515 3796 1 7 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.522 -0.264 25515 3797 1 7 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.425 0.545 25515 3798 1 7 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.170 0.138 25515 3799 1 7 . 1 1 85 85 TYR H H 85 7.894 7.894 7.873 0.021 25515 3800 1 7 . 1 1 86 86 VAL N N 86 120.088 120.088 119.958 0.130 25515 3801 1 7 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.268 0.008 25515 3802 1 7 . 1 1 86 86 VAL C C 86 174.300 174.300 177.360 -3.060 25515 3803 1 7 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.318 1.991 25515 3804 1 7 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.010 0.664 25515 3805 1 7 . 1 1 86 86 VAL H H 86 8.402 8.402 8.209 0.193 25515 3806 1 7 . 1 1 87 87 ALA N N 87 121.800 121.800 122.349 -0.549 25515 3807 1 7 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.142 -0.405 25515 3808 1 7 . 1 1 87 87 ALA C C 87 172.312 172.312 179.366 -7.054 25515 3809 1 7 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.106 -0.663 25515 3810 1 7 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.424 -0.023 25515 3811 1 7 . 1 1 87 87 ALA H H 87 8.317 8.317 7.699 0.618 25515 3812 1 7 . 1 1 88 88 GLU N N 88 118.012 118.012 117.914 0.098 25515 3813 1 7 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.061 -0.186 25515 3814 1 7 . 1 1 88 88 GLU C C 88 174.071 174.071 178.913 -4.842 25515 3815 1 7 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.804 -0.038 25515 3816 1 7 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.607 -0.058 25515 3817 1 7 . 1 1 88 88 GLU H H 88 7.777 7.777 7.602 0.175 25515 3818 1 7 . 1 1 89 89 GLN N N 89 116.164 116.164 117.136 -0.972 25515 3819 1 7 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.108 -0.397 25515 3820 1 7 . 1 1 89 89 GLN C C 89 174.572 174.572 177.584 -3.012 25515 3821 1 7 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.626 -0.581 25515 3822 1 7 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.064 -0.400 25515 3823 1 7 . 1 1 89 89 GLN H H 89 7.704 7.704 7.695 0.009 25515 3824 1 7 . 1 1 90 90 PHE N N 90 114.734 114.734 116.972 -2.238 25515 3825 1 7 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.441 0.269 25515 3826 1 7 . 1 1 90 90 PHE C C 90 175.715 175.715 175.990 -0.275 25515 3827 1 7 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.296 -1.891 25515 3828 1 7 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.131 0.072 25515 3829 1 7 . 1 1 90 90 PHE H H 90 8.241 8.241 8.255 -0.014 25515 3830 1 7 . 1 1 91 91 GLY N N 91 111.234 111.234 106.602 4.632 25515 3831 1 7 . 1 1 91 91 GLY C C 91 176.788 176.788 174.221 2.567 25515 3832 1 7 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.735 0.435 25515 3833 1 7 . 1 1 91 91 GLY H H 91 7.668 7.668 7.470 0.198 25515 3834 1 7 . 1 1 92 92 GLU N N 92 123.392 123.392 124.350 -0.958 25515 3835 1 7 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.882 -0.040 25515 3836 1 7 . 1 1 92 92 GLU C C 92 174.798 174.798 178.079 -3.281 25515 3837 1 7 . 1 1 92 92 GLU CA C 92 59.258 59.258 60.277 -1.019 25515 3838 1 7 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.742 -0.124 25515 3839 1 7 . 1 1 92 92 GLU H H 92 8.793 8.793 8.736 0.057 25515 3840 1 7 . 1 1 93 93 GLU N N 93 118.621 118.621 115.980 2.641 25515 3841 1 7 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.110 0.075 25515 3842 1 7 . 1 1 93 93 GLU C C 93 175.143 175.143 176.883 -1.740 25515 3843 1 7 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.280 -0.395 25515 3844 1 7 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.936 0.131 25515 3845 1 7 . 1 1 93 93 GLU H H 93 9.356 9.356 8.580 0.776 25515 3846 1 7 . 1 1 94 94 ASN N N 94 116.563 116.563 118.101 -1.538 25515 3847 1 7 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.802 0.109 25515 3848 1 7 . 1 1 94 94 ASN C C 94 176.192 176.192 177.913 -1.721 25515 3849 1 7 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.952 -1.641 25515 3850 1 7 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.844 -0.100 25515 3851 1 7 . 1 1 94 94 ASN H H 94 7.881 7.881 7.728 0.153 25515 3852 1 7 . 1 1 95 95 VAL N N 95 119.858 119.858 118.861 0.997 25515 3853 1 7 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.638 0.102 25515 3854 1 7 . 1 1 95 95 VAL C C 95 175.715 175.715 176.906 -1.191 25515 3855 1 7 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.590 -1.092 25515 3856 1 7 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.088 0.878 25515 3857 1 7 . 1 1 95 95 VAL H H 95 7.405 7.405 8.693 -1.288 25515 3858 1 7 . 1 1 96 96 ASN N N 96 116.409 116.409 117.680 -1.271 25515 3859 1 7 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.605 -0.147 25515 3860 1 7 . 1 1 96 96 ASN C C 96 175.322 175.322 176.815 -1.493 25515 3861 1 7 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.682 0.036 25515 3862 1 7 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.306 -0.090 25515 3863 1 7 . 1 1 96 96 ASN H H 96 8.356 8.356 8.344 0.012 25515 3864 1 7 . 1 1 97 97 THR N N 97 111.266 111.266 113.914 -2.648 25515 3865 1 7 . 1 1 97 97 THR HA H 97 3.993 3.993 4.109 -0.116 25515 3866 1 7 . 1 1 97 97 THR C C 97 177.418 177.418 175.388 2.030 25515 3867 1 7 . 1 1 97 97 THR CA C 97 63.604 63.604 65.313 -1.709 25515 3868 1 7 . 1 1 97 97 THR CB C 97 69.162 69.162 69.082 0.080 25515 3869 1 7 . 1 1 97 97 THR H H 97 7.575 7.575 8.337 -0.762 25515 3870 1 7 . 1 1 98 98 TYR N N 98 119.963 119.963 119.980 -0.017 25515 3871 1 7 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.344 -0.022 25515 3872 1 7 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.209 -1.011 25515 3873 1 7 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.573 -0.329 25515 3874 1 7 . 1 1 98 98 TYR H H 98 7.480 7.480 7.854 -0.374 25515 3875 1 7 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.554 0.006 25515 3876 1 7 . 1 1 99 99 PHE C C 99 177.317 177.317 175.588 1.729 25515 3877 1 7 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.363 -0.370 25515 3878 1 7 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.484 0.158 25515 3879 1 8 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.567 -0.276 25515 3880 1 8 . 1 1 2 2 ALA C C 2 175.019 175.019 176.597 -1.578 25515 3881 1 8 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.077 1.494 25515 3882 1 8 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.024 0.095 25515 3883 1 8 . 1 1 3 3 ASP N N 3 120.192 120.192 123.135 -2.943 25515 3884 1 8 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.606 -0.121 25515 3885 1 8 . 1 1 3 3 ASP C C 3 175.549 175.549 175.653 -0.104 25515 3886 1 8 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.626 0.626 25515 3887 1 8 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.026 -0.795 25515 3888 1 8 . 1 1 3 3 ASP H H 3 8.336 8.336 8.450 -0.114 25515 3889 1 8 . 1 1 4 4 GLN N N 4 121.286 121.286 120.463 0.823 25515 3890 1 8 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.407 -0.205 25515 3891 1 8 . 1 1 4 4 GLN C C 4 175.579 175.579 175.986 -0.407 25515 3892 1 8 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.653 0.673 25515 3893 1 8 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.645 -0.528 25515 3894 1 8 . 1 1 4 4 GLN H H 4 8.404 8.404 8.550 -0.146 25515 3895 1 8 . 1 1 5 5 ARG N N 5 121.138 121.138 122.003 -0.865 25515 3896 1 8 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.293 -0.129 25515 3897 1 8 . 1 1 5 5 ARG C C 5 175.327 175.327 176.315 -0.988 25515 3898 1 8 . 1 1 5 5 ARG CA C 5 56.776 56.776 57.349 -0.572 25515 3899 1 8 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.798 -0.287 25515 3900 1 8 . 1 1 5 5 ARG H H 5 8.281 8.281 8.686 -0.405 25515 3901 1 8 . 1 1 6 6 GLN N N 6 120.348 120.348 117.697 2.651 25515 3902 1 8 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.542 -0.353 25515 3903 1 8 . 1 1 6 6 GLN C C 6 175.838 175.838 175.594 0.244 25515 3904 1 8 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.472 1.736 25515 3905 1 8 . 1 1 6 6 GLN CB C 6 29.131 29.131 30.423 -1.292 25515 3906 1 8 . 1 1 6 6 GLN H H 6 8.253 8.253 7.805 0.448 25515 3907 1 8 . 1 1 7 7 ARG N N 7 121.761 121.761 122.405 -0.644 25515 3908 1 8 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.219 0.022 25515 3909 1 8 . 1 1 7 7 ARG C C 7 175.708 175.708 177.550 -1.842 25515 3910 1 8 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.130 -1.794 25515 3911 1 8 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.040 0.731 25515 3912 1 8 . 1 1 7 7 ARG H H 7 8.211 8.211 8.729 -0.518 25515 3913 1 8 . 1 1 8 8 SER N N 8 116.450 116.450 115.379 1.071 25515 3914 1 8 . 1 1 8 8 SER HA H 8 4.384 4.384 4.305 0.079 25515 3915 1 8 . 1 1 8 8 SER C C 8 177.569 177.569 175.977 1.592 25515 3916 1 8 . 1 1 8 8 SER CA C 8 58.298 58.298 60.868 -2.570 25515 3917 1 8 . 1 1 8 8 SER CB C 8 63.786 63.786 62.823 0.963 25515 3918 1 8 . 1 1 8 8 SER H H 8 8.220 8.220 8.402 -0.182 25515 3919 1 8 . 1 1 9 9 LEU N N 9 123.709 123.709 116.323 7.386 25515 3920 1 8 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.430 -0.076 25515 3921 1 8 . 1 1 9 9 LEU C C 9 174.915 174.915 177.691 -2.776 25515 3922 1 8 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.416 -1.440 25515 3923 1 8 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.156 1.522 25515 3924 1 8 . 1 1 9 9 LEU H H 9 8.091 8.091 7.888 0.203 25515 3925 1 8 . 1 1 10 10 SER N N 10 115.478 115.478 115.601 -0.123 25515 3926 1 8 . 1 1 10 10 SER HA H 10 4.561 4.561 4.222 0.339 25515 3927 1 8 . 1 1 10 10 SER C C 10 177.096 177.096 175.396 1.700 25515 3928 1 8 . 1 1 10 10 SER CA C 10 58.016 58.016 61.135 -3.119 25515 3929 1 8 . 1 1 10 10 SER CB C 10 64.062 64.062 63.250 0.812 25515 3930 1 8 . 1 1 10 10 SER H H 10 8.187 8.187 7.706 0.481 25515 3931 1 8 . 1 1 11 11 THR N N 11 114.393 114.393 114.755 -0.362 25515 3932 1 8 . 1 1 11 11 THR HA H 11 4.516 4.516 4.461 0.055 25515 3933 1 8 . 1 1 11 11 THR C C 11 177.232 177.232 174.525 2.707 25515 3934 1 8 . 1 1 11 11 THR CA C 11 61.740 61.740 61.406 0.334 25515 3935 1 8 . 1 1 11 11 THR CB C 11 69.478 69.478 69.186 0.292 25515 3936 1 8 . 1 1 11 11 THR H H 11 8.180 8.180 7.418 0.762 25515 3937 1 8 . 1 1 12 12 SER N N 12 117.125 117.125 122.584 -5.459 25515 3938 1 8 . 1 1 12 12 SER HA H 12 4.391 4.391 4.148 0.243 25515 3939 1 8 . 1 1 12 12 SER C C 12 176.856 176.856 175.905 0.951 25515 3940 1 8 . 1 1 12 12 SER CA C 12 58.537 58.537 59.818 -1.281 25515 3941 1 8 . 1 1 12 12 SER CB C 12 63.915 63.915 63.150 0.765 25515 3942 1 8 . 1 1 12 12 SER H H 12 8.171 8.171 8.966 -0.795 25515 3943 1 8 . 1 1 13 13 GLY N N 13 111.544 111.544 108.386 3.158 25515 3944 1 8 . 1 1 13 13 GLY C C 13 178.243 178.243 174.119 4.124 25515 3945 1 8 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.377 0.103 25515 3946 1 8 . 1 1 13 13 GLY H H 13 8.381 8.381 8.374 0.007 25515 3947 1 8 . 1 1 14 14 GLU N N 14 119.223 119.223 120.250 -1.027 25515 3948 1 8 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.568 -0.128 25515 3949 1 8 . 1 1 14 14 GLU C C 14 174.876 174.876 176.750 -1.874 25515 3950 1 8 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.819 0.605 25515 3951 1 8 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.900 0.078 25515 3952 1 8 . 1 1 14 14 GLU H H 14 8.149 8.149 8.418 -0.269 25515 3953 1 8 . 1 1 15 15 SER N N 15 117.752 117.752 118.799 -1.047 25515 3954 1 8 . 1 1 15 15 SER H H 15 8.437 8.437 8.801 -0.364 25515 3955 1 8 . 1 1 16 16 LEU N N 16 121.072 121.072 121.690 -0.618 25515 3956 1 8 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.090 -0.229 25515 3957 1 8 . 1 1 16 16 LEU C C 16 174.423 174.423 178.926 -4.503 25515 3958 1 8 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.602 -0.177 25515 3959 1 8 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.054 0.622 25515 3960 1 8 . 1 1 16 16 LEU H H 16 8.233 8.233 8.332 -0.099 25515 3961 1 8 . 1 1 17 17 TYR N N 17 111.961 111.961 114.863 -2.902 25515 3962 1 8 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.117 -0.455 25515 3963 1 8 . 1 1 17 17 TYR C C 17 173.256 173.256 178.265 -5.009 25515 3964 1 8 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.312 -0.446 25515 3965 1 8 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.651 -0.244 25515 3966 1 8 . 1 1 17 17 TYR H H 17 6.929 6.929 8.053 -1.124 25515 3967 1 8 . 1 1 18 18 HIS N N 18 119.254 119.254 118.269 0.985 25515 3968 1 8 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.407 0.032 25515 3969 1 8 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.244 -0.330 25515 3970 1 8 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.306 -0.691 25515 3971 1 8 . 1 1 18 18 HIS H H 18 7.672 7.672 7.695 -0.023 25515 3972 1 8 . 1 1 19 19 VAL N N 19 120.746 120.746 118.196 2.550 25515 3973 1 8 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.807 -0.102 25515 3974 1 8 . 1 1 19 19 VAL C C 19 175.643 175.643 177.052 -1.409 25515 3975 1 8 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.421 0.112 25515 3976 1 8 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.927 -0.462 25515 3977 1 8 . 1 1 19 19 VAL H H 19 7.883 7.883 7.652 0.231 25515 3978 1 8 . 1 1 20 20 LEU N N 20 114.576 114.576 116.694 -2.118 25515 3979 1 8 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.320 0.041 25515 3980 1 8 . 1 1 20 20 LEU C C 20 175.746 175.746 177.145 -1.399 25515 3981 1 8 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.160 -1.879 25515 3982 1 8 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.651 0.249 25515 3983 1 8 . 1 1 20 20 LEU H H 20 6.626 6.626 7.368 -0.742 25515 3984 1 8 . 1 1 21 21 GLY N N 21 109.239 109.239 106.745 2.494 25515 3985 1 8 . 1 1 21 21 GLY C C 21 177.637 177.637 174.756 2.881 25515 3986 1 8 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.723 0.560 25515 3987 1 8 . 1 1 21 21 GLY H H 21 7.991 7.991 7.572 0.419 25515 3988 1 8 . 1 1 22 22 LEU N N 22 119.495 119.495 116.492 3.003 25515 3989 1 8 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.894 -0.127 25515 3990 1 8 . 1 1 22 22 LEU C C 22 177.306 177.306 175.619 1.687 25515 3991 1 8 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.823 0.059 25515 3992 1 8 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.169 2.738 25515 3993 1 8 . 1 1 22 22 LEU H H 22 7.765 7.765 7.485 0.280 25515 3994 1 8 . 1 1 23 23 ASP N N 23 118.518 118.518 119.303 -0.785 25515 3995 1 8 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.744 -0.155 25515 3996 1 8 . 1 1 23 23 ASP C C 23 176.597 176.597 177.571 -0.974 25515 3997 1 8 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.721 -1.690 25515 3998 1 8 . 1 1 23 23 ASP CB C 23 43.481 43.481 41.857 1.624 25515 3999 1 8 . 1 1 23 23 ASP H H 23 7.977 7.977 8.452 -0.475 25515 4000 1 8 . 1 1 24 24 LYS N N 24 115.499 115.499 117.779 -2.280 25515 4001 1 8 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.297 -1.145 25515 4002 1 8 . 1 1 24 24 LYS C C 24 176.231 176.231 175.873 0.358 25515 4003 1 8 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.251 -0.184 25515 4004 1 8 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.619 0.743 25515 4005 1 8 . 1 1 24 24 LYS H H 24 7.811 7.811 8.496 -0.685 25515 4006 1 8 . 1 1 25 25 ASN N N 25 115.622 115.622 115.774 -0.152 25515 4007 1 8 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.870 -0.345 25515 4008 1 8 . 1 1 25 25 ASN C C 25 176.698 176.698 174.747 1.951 25515 4009 1 8 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.833 0.040 25515 4010 1 8 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.821 -0.747 25515 4011 1 8 . 1 1 25 25 ASN H H 25 7.817 7.817 7.929 -0.112 25515 4012 1 8 . 1 1 26 26 ALA N N 26 122.970 122.970 124.605 -1.635 25515 4013 1 8 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.292 0.067 25515 4014 1 8 . 1 1 26 26 ALA C C 26 173.847 173.847 175.830 -1.983 25515 4015 1 8 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.579 0.338 25515 4016 1 8 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.840 1.127 25515 4017 1 8 . 1 1 26 26 ALA H H 26 7.646 7.646 7.563 0.083 25515 4018 1 8 . 1 1 27 27 THR N N 27 113.252 113.252 114.653 -1.401 25515 4019 1 8 . 1 1 27 27 THR HA H 27 4.657 4.657 4.601 0.056 25515 4020 1 8 . 1 1 27 27 THR C C 27 175.986 175.986 176.055 -0.069 25515 4021 1 8 . 1 1 27 27 THR CA C 27 60.427 60.427 59.448 0.979 25515 4022 1 8 . 1 1 27 27 THR CB C 27 71.702 71.702 70.509 1.193 25515 4023 1 8 . 1 1 27 27 THR H H 27 9.089 9.089 8.137 0.952 25515 4024 1 8 . 1 1 28 28 SER N N 28 115.961 115.961 118.042 -2.081 25515 4025 1 8 . 1 1 28 28 SER HA H 28 3.930 3.930 4.072 -0.142 25515 4026 1 8 . 1 1 28 28 SER C C 28 175.440 175.440 176.029 -0.589 25515 4027 1 8 . 1 1 28 28 SER CA C 28 62.515 62.515 62.890 -0.375 25515 4028 1 8 . 1 1 28 28 SER CB C 28 62.713 62.713 63.120 -0.407 25515 4029 1 8 . 1 1 28 28 SER H H 28 9.095 9.095 8.854 0.241 25515 4030 1 8 . 1 1 29 29 ASP N N 29 119.797 119.797 121.442 -1.645 25515 4031 1 8 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.430 -0.027 25515 4032 1 8 . 1 1 29 29 ASP C C 29 173.862 173.862 178.219 -4.357 25515 4033 1 8 . 1 1 29 29 ASP CA C 29 57.783 57.783 58.102 -0.319 25515 4034 1 8 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.495 0.556 25515 4035 1 8 . 1 1 29 29 ASP H H 29 8.122 8.122 8.349 -0.227 25515 4036 1 8 . 1 1 30 30 ASP N N 30 120.847 120.847 119.869 0.978 25515 4037 1 8 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.490 -0.143 25515 4038 1 8 . 1 1 30 30 ASP C C 30 172.627 172.627 178.685 -6.058 25515 4039 1 8 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.478 0.211 25515 4040 1 8 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.101 -0.119 25515 4041 1 8 . 1 1 30 30 ASP H H 30 7.851 7.851 7.768 0.083 25515 4042 1 8 . 1 1 31 31 ILE N N 31 121.776 121.776 121.049 0.727 25515 4043 1 8 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.712 -0.196 25515 4044 1 8 . 1 1 31 31 ILE C C 31 174.709 174.709 178.179 -3.470 25515 4045 1 8 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.341 0.145 25515 4046 1 8 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.876 0.365 25515 4047 1 8 . 1 1 31 31 ILE H H 31 8.122 8.122 8.297 -0.175 25515 4048 1 8 . 1 1 32 32 LYS N N 32 119.510 119.510 120.088 -0.578 25515 4049 1 8 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.385 -0.308 25515 4050 1 8 . 1 1 32 32 LYS C C 32 172.959 172.959 179.265 -6.306 25515 4051 1 8 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.518 2.317 25515 4052 1 8 . 1 1 32 32 LYS CB C 32 32.504 32.504 31.980 0.524 25515 4053 1 8 . 1 1 32 32 LYS H H 32 8.172 8.172 8.266 -0.094 25515 4054 1 8 . 1 1 33 33 LYS N N 33 119.042 119.042 120.557 -1.515 25515 4055 1 8 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.073 -0.105 25515 4056 1 8 . 1 1 33 33 LYS C C 33 172.323 172.323 179.265 -6.942 25515 4057 1 8 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.749 0.257 25515 4058 1 8 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.280 0.433 25515 4059 1 8 . 1 1 33 33 LYS H H 33 8.342 8.342 7.876 0.466 25515 4060 1 8 . 1 1 34 34 SER N N 34 115.060 115.060 115.396 -0.336 25515 4061 1 8 . 1 1 34 34 SER HA H 34 4.260 4.260 4.202 0.058 25515 4062 1 8 . 1 1 34 34 SER C C 34 175.503 175.503 176.193 -0.690 25515 4063 1 8 . 1 1 34 34 SER CA C 34 61.734 61.734 62.197 -0.463 25515 4064 1 8 . 1 1 34 34 SER CB C 34 63.088 63.088 63.099 -0.011 25515 4065 1 8 . 1 1 34 34 SER H H 34 8.161 8.161 8.331 -0.170 25515 4066 1 8 . 1 1 35 35 TYR N N 35 119.241 119.241 122.992 -3.751 25515 4067 1 8 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.155 -0.281 25515 4068 1 8 . 1 1 35 35 TYR C C 35 176.352 176.352 177.037 -0.685 25515 4069 1 8 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.442 0.427 25515 4070 1 8 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.475 0.315 25515 4071 1 8 . 1 1 35 35 TYR H H 35 8.499 8.499 7.717 0.782 25515 4072 1 8 . 1 1 36 36 ARG N N 36 116.674 116.674 117.944 -1.270 25515 4073 1 8 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.519 -0.066 25515 4074 1 8 . 1 1 36 36 ARG C C 36 173.135 173.135 178.654 -5.519 25515 4075 1 8 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.645 0.965 25515 4076 1 8 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.311 0.568 25515 4077 1 8 . 1 1 36 36 ARG H H 36 7.967 7.967 8.037 -0.070 25515 4078 1 8 . 1 1 37 37 LYS N N 37 116.974 116.974 119.061 -2.087 25515 4079 1 8 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.995 -0.025 25515 4080 1 8 . 1 1 37 37 LYS C C 37 172.489 172.489 179.676 -7.187 25515 4081 1 8 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.375 0.002 25515 4082 1 8 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.218 0.540 25515 4083 1 8 . 1 1 37 37 LYS H H 37 7.275 7.275 7.967 -0.692 25515 4084 1 8 . 1 1 38 38 LEU N N 38 120.978 120.978 118.658 2.320 25515 4085 1 8 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.323 -0.300 25515 4086 1 8 . 1 1 38 38 LEU C C 38 173.557 173.557 178.360 -4.803 25515 4087 1 8 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.506 0.898 25515 4088 1 8 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.262 0.106 25515 4089 1 8 . 1 1 38 38 LEU H H 38 8.268 8.268 7.553 0.715 25515 4090 1 8 . 1 1 39 39 ALA N N 39 122.700 122.700 123.022 -0.322 25515 4091 1 8 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.992 -0.107 25515 4092 1 8 . 1 1 39 39 ALA C C 39 172.721 172.721 179.005 -6.284 25515 4093 1 8 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.385 0.056 25515 4094 1 8 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.217 -1.267 25515 4095 1 8 . 1 1 39 39 ALA H H 39 9.043 9.043 8.330 0.713 25515 4096 1 8 . 1 1 40 40 LEU N N 40 114.462 114.462 114.159 0.303 25515 4097 1 8 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.944 0.088 25515 4098 1 8 . 1 1 40 40 LEU C C 40 173.110 173.110 179.117 -6.007 25515 4099 1 8 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.663 0.646 25515 4100 1 8 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.062 1.972 25515 4101 1 8 . 1 1 40 40 LEU H H 40 6.862 6.862 7.481 -0.619 25515 4102 1 8 . 1 1 41 41 LYS N N 41 118.126 118.126 121.465 -3.339 25515 4103 1 8 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.753 0.089 25515 4104 1 8 . 1 1 41 41 LYS C C 41 173.695 173.695 177.550 -3.855 25515 4105 1 8 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.922 -0.180 25515 4106 1 8 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.232 0.755 25515 4107 1 8 . 1 1 41 41 LYS H H 41 7.135 7.135 7.798 -0.663 25515 4108 1 8 . 1 1 42 42 TYR N N 42 113.902 113.902 114.414 -0.512 25515 4109 1 8 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.523 -0.033 25515 4110 1 8 . 1 1 42 42 TYR C C 42 178.884 178.884 174.567 4.317 25515 4111 1 8 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.361 0.652 25515 4112 1 8 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.651 -0.141 25515 4113 1 8 . 1 1 42 42 TYR H H 42 7.756 7.756 7.791 -0.035 25515 4114 1 8 . 1 1 43 43 HIS N N 43 120.909 120.909 122.645 -1.736 25515 4115 1 8 . 1 1 43 43 HIS HA H 43 3.472 3.472 3.913 -0.441 25515 4116 1 8 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.518 0.381 25515 4117 1 8 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.088 0.037 25515 4118 1 8 . 1 1 43 43 HIS H H 43 7.134 7.134 7.682 -0.548 25515 4119 1 8 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.062 -0.064 25515 4120 1 8 . 1 1 44 44 PRO C C 44 172.774 172.774 178.313 -5.539 25515 4121 1 8 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.986 -0.381 25515 4122 1 8 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.591 0.019 25515 4123 1 8 . 1 1 45 45 ASP N N 45 121.379 121.379 115.171 6.208 25515 4124 1 8 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.453 -0.096 25515 4125 1 8 . 1 1 45 45 ASP C C 45 173.968 173.968 176.996 -3.028 25515 4126 1 8 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.212 1.558 25515 4127 1 8 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.643 -0.520 25515 4128 1 8 . 1 1 45 45 ASP H H 45 10.727 10.727 8.471 2.256 25515 4129 1 8 . 1 1 46 46 LYS N N 46 115.902 115.902 117.290 -1.388 25515 4130 1 8 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.287 0.071 25515 4131 1 8 . 1 1 46 46 LYS C C 46 176.450 176.450 176.709 -0.259 25515 4132 1 8 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.384 -1.610 25515 4133 1 8 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.155 1.034 25515 4134 1 8 . 1 1 46 46 LYS H H 46 7.475 7.475 8.011 -0.536 25515 4135 1 8 . 1 1 47 47 ASN N N 47 117.709 117.709 119.823 -2.114 25515 4136 1 8 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.040 0.110 25515 4137 1 8 . 1 1 47 47 ASN C C 47 170.657 170.657 173.847 -3.190 25515 4138 1 8 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.433 0.107 25515 4139 1 8 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.327 2.229 25515 4140 1 8 . 1 1 47 47 ASN H H 47 7.410 7.410 7.460 -0.050 25515 4141 1 8 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.629 -0.263 25515 4142 1 8 . 1 1 48 48 PRO C C 48 174.739 174.739 176.234 -1.495 25515 4143 1 8 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.209 1.903 25515 4144 1 8 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.642 -1.118 25515 4145 1 8 . 1 1 49 49 ASP N N 49 117.619 117.619 117.240 0.379 25515 4146 1 8 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.496 -0.119 25515 4147 1 8 . 1 1 49 49 ASP C C 49 177.335 177.335 176.167 1.168 25515 4148 1 8 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.157 -0.572 25515 4149 1 8 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.992 -0.738 25515 4150 1 8 . 1 1 49 49 ASP H H 49 8.679 8.679 8.304 0.375 25515 4151 1 8 . 1 1 50 50 ASN N N 50 114.537 114.537 118.379 -3.842 25515 4152 1 8 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.722 0.478 25515 4153 1 8 . 1 1 50 50 ASN C C 50 178.245 178.245 174.306 3.939 25515 4154 1 8 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.186 -2.051 25515 4155 1 8 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.683 0.893 25515 4156 1 8 . 1 1 50 50 ASN H H 50 7.341 7.341 8.265 -0.924 25515 4157 1 8 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.522 -0.158 25515 4158 1 8 . 1 1 51 51 PRO C C 51 173.714 173.714 177.662 -3.948 25515 4159 1 8 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.283 1.335 25515 4160 1 8 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.939 0.162 25515 4161 1 8 . 1 1 52 52 GLU N N 52 118.597 118.597 121.415 -2.818 25515 4162 1 8 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.087 0.101 25515 4163 1 8 . 1 1 52 52 GLU C C 52 173.216 173.216 177.757 -4.541 25515 4164 1 8 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.205 -1.254 25515 4165 1 8 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.372 -0.173 25515 4166 1 8 . 1 1 52 52 GLU H H 52 8.048 8.048 8.705 -0.657 25515 4167 1 8 . 1 1 53 53 ALA N N 53 122.149 122.149 121.116 1.033 25515 4168 1 8 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.274 -0.300 25515 4169 1 8 . 1 1 53 53 ALA C C 53 173.485 173.485 179.448 -5.963 25515 4170 1 8 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.972 0.099 25515 4171 1 8 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.179 -0.402 25515 4172 1 8 . 1 1 53 53 ALA H H 53 7.606 7.606 8.131 -0.525 25515 4173 1 8 . 1 1 54 54 ALA N N 54 119.475 119.475 121.238 -1.763 25515 4174 1 8 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.256 -0.029 25515 4175 1 8 . 1 1 54 54 ALA C C 54 171.125 171.125 179.370 -8.245 25515 4176 1 8 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.716 0.455 25515 4177 1 8 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.608 -0.760 25515 4178 1 8 . 1 1 54 54 ALA H H 54 7.680 7.680 8.289 -0.609 25515 4179 1 8 . 1 1 55 55 ASP N N 55 120.134 120.134 119.229 0.905 25515 4180 1 8 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.348 0.073 25515 4181 1 8 . 1 1 55 55 ASP C C 55 173.088 173.088 178.592 -5.504 25515 4182 1 8 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.788 -0.382 25515 4183 1 8 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.983 -0.654 25515 4184 1 8 . 1 1 55 55 ASP H H 55 7.983 7.983 8.067 -0.084 25515 4185 1 8 . 1 1 56 56 LYS N N 56 120.915 120.915 119.843 1.072 25515 4186 1 8 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.862 0.048 25515 4187 1 8 . 1 1 56 56 LYS C C 56 173.210 173.210 178.793 -5.583 25515 4188 1 8 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.814 -0.333 25515 4189 1 8 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.561 -0.653 25515 4190 1 8 . 1 1 56 56 LYS H H 56 7.758 7.758 7.925 -0.167 25515 4191 1 8 . 1 1 57 57 PHE N N 57 120.024 120.024 119.691 0.333 25515 4192 1 8 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.133 -0.128 25515 4193 1 8 . 1 1 57 57 PHE C C 57 174.430 174.430 177.327 -2.897 25515 4194 1 8 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.736 1.804 25515 4195 1 8 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.591 0.497 25515 4196 1 8 . 1 1 57 57 PHE H H 57 8.861 8.861 8.693 0.168 25515 4197 1 8 . 1 1 58 58 LYS N N 58 119.306 119.306 119.741 -0.435 25515 4198 1 8 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.686 0.267 25515 4199 1 8 . 1 1 58 58 LYS C C 58 172.875 172.875 178.602 -5.727 25515 4200 1 8 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.950 -0.089 25515 4201 1 8 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.361 -0.052 25515 4202 1 8 . 1 1 58 58 LYS H H 58 7.846 7.846 8.066 -0.220 25515 4203 1 8 . 1 1 59 59 GLU N N 59 119.732 119.732 118.488 1.244 25515 4204 1 8 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.117 -0.068 25515 4205 1 8 . 1 1 59 59 GLU C C 59 171.935 171.935 179.094 -7.159 25515 4206 1 8 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.040 0.433 25515 4207 1 8 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.283 0.544 25515 4208 1 8 . 1 1 59 59 GLU H H 59 7.732 7.732 8.121 -0.389 25515 4209 1 8 . 1 1 60 60 ILE N N 60 119.074 119.074 121.614 -2.540 25515 4210 1 8 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.705 -0.017 25515 4211 1 8 . 1 1 60 60 ILE C C 60 174.424 174.424 178.255 -3.831 25515 4212 1 8 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.082 -0.808 25515 4213 1 8 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.855 0.592 25515 4214 1 8 . 1 1 60 60 ILE H H 60 8.429 8.429 8.584 -0.155 25515 4215 1 8 . 1 1 61 61 ASN N N 61 120.038 120.038 117.136 2.902 25515 4216 1 8 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.403 -0.102 25515 4217 1 8 . 1 1 61 61 ASN C C 61 174.271 174.271 177.031 -2.760 25515 4218 1 8 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.957 0.599 25515 4219 1 8 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.277 0.006 25515 4220 1 8 . 1 1 61 61 ASN H H 61 8.025 8.025 8.470 -0.445 25515 4221 1 8 . 1 1 62 62 ASN N N 62 119.502 119.502 118.280 1.222 25515 4222 1 8 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.532 -0.222 25515 4223 1 8 . 1 1 62 62 ASN C C 62 176.042 176.042 177.401 -1.359 25515 4224 1 8 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.644 0.904 25515 4225 1 8 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.508 0.213 25515 4226 1 8 . 1 1 62 62 ASN H H 62 8.042 8.042 7.927 0.115 25515 4227 1 8 . 1 1 63 63 ALA N N 63 119.769 119.769 123.180 -3.411 25515 4228 1 8 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.821 -0.135 25515 4229 1 8 . 1 1 63 63 ALA C C 63 173.564 173.564 179.301 -5.737 25515 4230 1 8 . 1 1 63 63 ALA CA C 63 55.540 55.540 55.005 0.535 25515 4231 1 8 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.852 0.654 25515 4232 1 8 . 1 1 63 63 ALA H H 63 7.944 7.944 8.411 -0.467 25515 4233 1 8 . 1 1 64 64 HIS N N 64 115.292 115.292 118.806 -3.514 25515 4234 1 8 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.115 -0.588 25515 4235 1 8 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.596 0.787 25515 4236 1 8 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.599 0.337 25515 4237 1 8 . 1 1 64 64 HIS H H 64 8.055 8.055 8.474 -0.419 25515 4238 1 8 . 1 1 65 65 ALA N N 65 122.093 122.093 121.184 0.909 25515 4239 1 8 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.927 -0.421 25515 4240 1 8 . 1 1 65 65 ALA C C 65 172.454 172.454 179.464 -7.010 25515 4241 1 8 . 1 1 65 65 ALA CA C 65 54.991 54.991 54.064 0.927 25515 4242 1 8 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.143 -1.005 25515 4243 1 8 . 1 1 65 65 ALA H H 65 7.944 7.944 8.050 -0.106 25515 4244 1 8 . 1 1 66 66 ILE N N 66 115.954 115.954 118.946 -2.992 25515 4245 1 8 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.658 -0.200 25515 4246 1 8 . 1 1 66 66 ILE C C 66 175.394 175.394 178.240 -2.846 25515 4247 1 8 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.556 0.052 25515 4248 1 8 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.491 1.498 25515 4249 1 8 . 1 1 66 66 ILE H H 66 7.358 7.358 8.089 -0.731 25515 4250 1 8 . 1 1 67 67 LEU N N 67 111.268 111.268 115.920 -4.652 25515 4251 1 8 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.017 -0.342 25515 4252 1 8 . 1 1 67 67 LEU C C 67 174.490 174.490 178.134 -3.644 25515 4253 1 8 . 1 1 67 67 LEU CA C 67 56.567 56.567 55.869 0.698 25515 4254 1 8 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.481 2.573 25515 4255 1 8 . 1 1 67 67 LEU H H 67 7.743 7.743 7.622 0.121 25515 4256 1 8 . 1 1 68 68 THR N N 68 103.399 103.399 109.881 -6.482 25515 4257 1 8 . 1 1 68 68 THR HA H 68 4.023 4.023 4.258 -0.235 25515 4258 1 8 . 1 1 68 68 THR C C 68 178.796 178.796 173.313 5.483 25515 4259 1 8 . 1 1 68 68 THR CA C 68 61.672 61.672 61.626 0.046 25515 4260 1 8 . 1 1 68 68 THR CB C 68 69.052 69.052 69.082 -0.030 25515 4261 1 8 . 1 1 68 68 THR H H 68 7.104 7.104 7.280 -0.176 25515 4262 1 8 . 1 1 69 69 ASP N N 69 125.057 125.057 122.321 2.736 25515 4263 1 8 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.687 0.014 25515 4264 1 8 . 1 1 69 69 ASP C C 69 177.204 177.204 176.261 0.943 25515 4265 1 8 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.973 -0.214 25515 4266 1 8 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.044 -0.293 25515 4267 1 8 . 1 1 69 69 ASP H H 69 7.076 7.076 7.416 -0.340 25515 4268 1 8 . 1 1 70 70 ALA N N 70 128.178 128.178 129.799 -1.621 25515 4269 1 8 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.064 -0.167 25515 4270 1 8 . 1 1 70 70 ALA C C 70 171.909 171.909 179.006 -7.097 25515 4271 1 8 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.955 0.871 25515 4272 1 8 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.627 -0.153 25515 4273 1 8 . 1 1 70 70 ALA H H 70 8.761 8.761 8.837 -0.076 25515 4274 1 8 . 1 1 71 71 THR N N 71 113.629 113.629 114.920 -1.291 25515 4275 1 8 . 1 1 71 71 THR HA H 71 3.981 3.981 4.177 -0.196 25515 4276 1 8 . 1 1 71 71 THR C C 71 175.038 175.038 176.695 -1.657 25515 4277 1 8 . 1 1 71 71 THR CA C 71 66.164 66.164 66.050 0.114 25515 4278 1 8 . 1 1 71 71 THR CB C 71 68.319 68.319 68.806 -0.487 25515 4279 1 8 . 1 1 71 71 THR H H 71 7.957 7.957 8.008 -0.051 25515 4280 1 8 . 1 1 72 72 LYS N N 72 122.501 122.501 121.259 1.242 25515 4281 1 8 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.081 -0.271 25515 4282 1 8 . 1 1 72 72 LYS C C 72 173.814 173.814 179.012 -5.198 25515 4283 1 8 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.767 0.524 25515 4284 1 8 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.250 0.556 25515 4285 1 8 . 1 1 72 72 LYS H H 72 8.309 8.309 9.241 -0.932 25515 4286 1 8 . 1 1 73 73 ARG N N 73 120.595 120.595 118.248 2.347 25515 4287 1 8 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.192 -0.589 25515 4288 1 8 . 1 1 73 73 ARG C C 73 174.477 174.477 177.779 -3.302 25515 4289 1 8 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.484 2.345 25515 4290 1 8 . 1 1 73 73 ARG H H 73 9.258 9.258 7.885 1.373 25515 4291 1 8 . 1 1 74 74 ASN N N 74 115.425 115.425 119.596 -4.171 25515 4292 1 8 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.510 -0.079 25515 4293 1 8 . 1 1 74 74 ASN C C 74 174.296 174.296 177.939 -3.643 25515 4294 1 8 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.761 -0.051 25515 4295 1 8 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.376 0.354 25515 4296 1 8 . 1 1 74 74 ASN H H 74 7.534 7.534 7.826 -0.292 25515 4297 1 8 . 1 1 75 75 ILE N N 75 119.020 119.020 118.465 0.555 25515 4298 1 8 . 1 1 75 75 ILE HA H 75 3.633 3.633 4.021 -0.388 25515 4299 1 8 . 1 1 75 75 ILE C C 75 174.667 174.667 177.240 -2.573 25515 4300 1 8 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.049 1.456 25515 4301 1 8 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.514 1.710 25515 4302 1 8 . 1 1 75 75 ILE H H 75 7.656 7.656 8.385 -0.729 25515 4303 1 8 . 1 1 76 76 TYR N N 76 121.913 121.913 121.938 -0.025 25515 4304 1 8 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.122 -0.107 25515 4305 1 8 . 1 1 76 76 TYR C C 76 173.323 173.323 176.662 -3.339 25515 4306 1 8 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.164 -0.617 25515 4307 1 8 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.202 0.551 25515 4308 1 8 . 1 1 76 76 TYR H H 76 8.894 8.894 7.714 1.180 25515 4309 1 8 . 1 1 77 77 ASP N N 77 120.151 120.151 117.504 2.647 25515 4310 1 8 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.421 -0.084 25515 4311 1 8 . 1 1 77 77 ASP C C 77 174.321 174.321 177.972 -3.651 25515 4312 1 8 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.516 1.403 25515 4313 1 8 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.392 -1.407 25515 4314 1 8 . 1 1 77 77 ASP H H 77 9.151 9.151 7.856 1.295 25515 4315 1 8 . 1 1 78 78 LYS N N 78 117.659 117.659 119.628 -1.969 25515 4316 1 8 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.069 -0.142 25515 4317 1 8 . 1 1 78 78 LYS C C 78 174.237 174.237 177.521 -3.284 25515 4318 1 8 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.540 -0.127 25515 4319 1 8 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.698 0.944 25515 4320 1 8 . 1 1 78 78 LYS H H 78 7.378 7.378 8.220 -0.842 25515 4321 1 8 . 1 1 79 79 TYR N N 79 115.151 115.151 115.864 -0.713 25515 4322 1 8 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.669 -0.048 25515 4323 1 8 . 1 1 79 79 TYR C C 79 175.424 175.424 178.033 -2.609 25515 4324 1 8 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.375 -2.802 25515 4325 1 8 . 1 1 79 79 TYR H H 79 8.505 8.505 7.988 0.517 25515 4326 1 8 . 1 1 80 80 GLY N N 80 110.813 110.813 107.173 3.640 25515 4327 1 8 . 1 1 80 80 GLY C C 80 177.481 177.481 175.809 1.672 25515 4328 1 8 . 1 1 80 80 GLY CA C 80 45.545 45.545 47.069 -1.524 25515 4329 1 8 . 1 1 80 80 GLY H H 80 8.222 8.222 8.932 -0.710 25515 4330 1 8 . 1 1 81 81 SER N N 81 117.578 117.578 117.855 -0.277 25515 4331 1 8 . 1 1 81 81 SER C C 81 174.532 174.532 176.246 -1.714 25515 4332 1 8 . 1 1 81 81 SER CA C 81 61.579 61.579 60.785 0.794 25515 4333 1 8 . 1 1 81 81 SER H H 81 8.883 8.883 8.419 0.464 25515 4334 1 8 . 1 1 82 82 LEU N N 82 123.998 123.998 122.226 1.772 25515 4335 1 8 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.541 -0.270 25515 4336 1 8 . 1 1 82 82 LEU C C 82 173.400 173.400 178.806 -5.406 25515 4337 1 8 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.379 0.553 25515 4338 1 8 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.722 -0.335 25515 4339 1 8 . 1 1 82 82 LEU H H 82 8.920 8.920 8.101 0.819 25515 4340 1 8 . 1 1 83 83 GLY N N 83 105.677 105.677 107.394 -1.717 25515 4341 1 8 . 1 1 83 83 GLY C C 83 177.230 177.230 176.475 0.755 25515 4342 1 8 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.883 -0.235 25515 4343 1 8 . 1 1 83 83 GLY H H 83 7.565 7.565 8.982 -1.417 25515 4344 1 8 . 1 1 84 84 LEU N N 84 119.542 119.542 121.382 -1.840 25515 4345 1 8 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.256 -0.197 25515 4346 1 8 . 1 1 84 84 LEU C C 84 173.036 173.036 177.951 -4.915 25515 4347 1 8 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.985 0.448 25515 4348 1 8 . 1 1 84 84 LEU H H 84 7.495 7.495 7.874 -0.379 25515 4349 1 8 . 1 1 85 85 TYR N N 85 121.424 121.424 118.761 2.663 25515 4350 1 8 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.275 -0.017 25515 4351 1 8 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.897 0.073 25515 4352 1 8 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.851 0.457 25515 4353 1 8 . 1 1 85 85 TYR H H 85 7.894 7.894 7.632 0.262 25515 4354 1 8 . 1 1 86 86 VAL N N 86 120.088 120.088 119.422 0.666 25515 4355 1 8 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.409 -0.133 25515 4356 1 8 . 1 1 86 86 VAL C C 86 174.300 174.300 177.295 -2.995 25515 4357 1 8 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.140 2.169 25515 4358 1 8 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.116 0.558 25515 4359 1 8 . 1 1 86 86 VAL H H 86 8.402 8.402 8.493 -0.091 25515 4360 1 8 . 1 1 87 87 ALA N N 87 121.800 121.800 123.119 -1.319 25515 4361 1 8 . 1 1 87 87 ALA HA H 87 3.737 3.737 3.943 -0.206 25515 4362 1 8 . 1 1 87 87 ALA C C 87 172.312 172.312 179.352 -7.040 25515 4363 1 8 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.175 -0.732 25515 4364 1 8 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.332 0.069 25515 4365 1 8 . 1 1 87 87 ALA H H 87 8.317 8.317 7.656 0.661 25515 4366 1 8 . 1 1 88 88 GLU N N 88 118.012 118.012 117.180 0.832 25515 4367 1 8 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.020 -0.145 25515 4368 1 8 . 1 1 88 88 GLU C C 88 174.071 174.071 178.735 -4.664 25515 4369 1 8 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.721 0.045 25515 4370 1 8 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.748 -0.199 25515 4371 1 8 . 1 1 88 88 GLU H H 88 7.777 7.777 7.971 -0.194 25515 4372 1 8 . 1 1 89 89 GLN N N 89 116.164 116.164 116.820 -0.656 25515 4373 1 8 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.097 -0.386 25515 4374 1 8 . 1 1 89 89 GLN C C 89 174.572 174.572 177.524 -2.952 25515 4375 1 8 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.783 -0.738 25515 4376 1 8 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.360 -0.696 25515 4377 1 8 . 1 1 89 89 GLN H H 89 7.704 7.704 7.572 0.132 25515 4378 1 8 . 1 1 90 90 PHE N N 90 114.734 114.734 117.094 -2.360 25515 4379 1 8 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.491 0.219 25515 4380 1 8 . 1 1 90 90 PHE C C 90 175.715 175.715 175.651 0.064 25515 4381 1 8 . 1 1 90 90 PHE CA C 90 57.405 57.405 58.891 -1.486 25515 4382 1 8 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.020 0.183 25515 4383 1 8 . 1 1 90 90 PHE H H 90 8.241 8.241 8.449 -0.208 25515 4384 1 8 . 1 1 91 91 GLY N N 91 111.234 111.234 107.196 4.038 25515 4385 1 8 . 1 1 91 91 GLY C C 91 176.788 176.788 174.865 1.923 25515 4386 1 8 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.609 0.561 25515 4387 1 8 . 1 1 91 91 GLY H H 91 7.668 7.668 7.215 0.453 25515 4388 1 8 . 1 1 92 92 GLU N N 92 123.392 123.392 124.824 -1.432 25515 4389 1 8 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.852 -0.010 25515 4390 1 8 . 1 1 92 92 GLU C C 92 174.798 174.798 178.073 -3.275 25515 4391 1 8 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.946 -0.688 25515 4392 1 8 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.532 0.086 25515 4393 1 8 . 1 1 92 92 GLU H H 92 8.793 8.793 8.787 0.006 25515 4394 1 8 . 1 1 93 93 GLU N N 93 118.621 118.621 118.445 0.176 25515 4395 1 8 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.068 0.117 25515 4396 1 8 . 1 1 93 93 GLU C C 93 175.143 175.143 177.910 -2.767 25515 4397 1 8 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.562 -0.677 25515 4398 1 8 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.841 0.226 25515 4399 1 8 . 1 1 93 93 GLU H H 93 9.356 9.356 8.749 0.607 25515 4400 1 8 . 1 1 94 94 ASN N N 94 116.563 116.563 117.824 -1.261 25515 4401 1 8 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.775 0.136 25515 4402 1 8 . 1 1 94 94 ASN C C 94 176.192 176.192 177.571 -1.379 25515 4403 1 8 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.990 -1.679 25515 4404 1 8 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.051 0.693 25515 4405 1 8 . 1 1 94 94 ASN H H 94 7.881 7.881 7.772 0.109 25515 4406 1 8 . 1 1 95 95 VAL N N 95 119.858 119.858 118.911 0.947 25515 4407 1 8 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.671 0.069 25515 4408 1 8 . 1 1 95 95 VAL C C 95 175.715 175.715 177.322 -1.607 25515 4409 1 8 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.726 -1.228 25515 4410 1 8 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.362 0.604 25515 4411 1 8 . 1 1 95 95 VAL H H 95 7.405 7.405 8.478 -1.073 25515 4412 1 8 . 1 1 96 96 ASN N N 96 116.409 116.409 116.560 -0.151 25515 4413 1 8 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.556 -0.098 25515 4414 1 8 . 1 1 96 96 ASN C C 96 175.322 175.322 176.766 -1.444 25515 4415 1 8 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.812 -0.095 25515 4416 1 8 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.301 -0.085 25515 4417 1 8 . 1 1 96 96 ASN H H 96 8.356 8.356 8.045 0.311 25515 4418 1 8 . 1 1 97 97 THR N N 97 111.266 111.266 113.960 -2.694 25515 4419 1 8 . 1 1 97 97 THR HA H 97 3.993 3.993 4.156 -0.163 25515 4420 1 8 . 1 1 97 97 THR C C 97 177.418 177.418 175.774 1.644 25515 4421 1 8 . 1 1 97 97 THR CA C 97 63.604 63.604 65.655 -2.051 25515 4422 1 8 . 1 1 97 97 THR CB C 97 69.162 69.162 69.076 0.086 25515 4423 1 8 . 1 1 97 97 THR H H 97 7.575 7.575 8.365 -0.790 25515 4424 1 8 . 1 1 98 98 TYR N N 98 119.963 119.963 120.291 -0.328 25515 4425 1 8 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.347 -0.025 25515 4426 1 8 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.460 -0.262 25515 4427 1 8 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.422 -0.178 25515 4428 1 8 . 1 1 98 98 TYR H H 98 7.480 7.480 7.883 -0.403 25515 4429 1 8 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.383 0.177 25515 4430 1 8 . 1 1 99 99 PHE C C 99 177.317 177.317 175.780 1.537 25515 4431 1 8 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.682 0.311 25515 4432 1 8 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.322 0.320 25515 4433 1 9 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.245 0.046 25515 4434 1 9 . 1 1 2 2 ALA C C 2 175.019 175.019 177.130 -2.111 25515 4435 1 9 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.282 0.289 25515 4436 1 9 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.949 0.170 25515 4437 1 9 . 1 1 3 3 ASP N N 3 120.192 120.192 122.866 -2.674 25515 4438 1 9 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.458 0.027 25515 4439 1 9 . 1 1 3 3 ASP C C 3 175.549 175.549 176.006 -0.457 25515 4440 1 9 . 1 1 3 3 ASP CA C 3 54.252 54.252 55.299 -1.047 25515 4441 1 9 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.910 -0.678 25515 4442 1 9 . 1 1 3 3 ASP H H 3 8.336 8.336 8.479 -0.143 25515 4443 1 9 . 1 1 4 4 GLN N N 4 121.286 121.286 121.344 -0.058 25515 4444 1 9 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.283 -0.081 25515 4445 1 9 . 1 1 4 4 GLN C C 4 175.579 175.579 175.223 0.356 25515 4446 1 9 . 1 1 4 4 GLN CA C 4 56.326 56.326 56.388 -0.062 25515 4447 1 9 . 1 1 4 4 GLN CB C 4 29.117 29.117 28.423 0.694 25515 4448 1 9 . 1 1 4 4 GLN H H 4 8.404 8.404 8.395 0.009 25515 4449 1 9 . 1 1 5 5 ARG N N 5 121.138 121.138 124.368 -3.230 25515 4450 1 9 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.429 -0.265 25515 4451 1 9 . 1 1 5 5 ARG C C 5 175.327 175.327 175.712 -0.385 25515 4452 1 9 . 1 1 5 5 ARG CA C 5 56.776 56.776 55.965 0.811 25515 4453 1 9 . 1 1 5 5 ARG CB C 5 30.511 30.511 31.387 -0.876 25515 4454 1 9 . 1 1 5 5 ARG H H 5 8.281 8.281 8.830 -0.549 25515 4455 1 9 . 1 1 6 6 GLN N N 6 120.348 120.348 117.047 3.301 25515 4456 1 9 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.654 -0.465 25515 4457 1 9 . 1 1 6 6 GLN C C 6 175.838 175.838 175.148 0.690 25515 4458 1 9 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.528 1.680 25515 4459 1 9 . 1 1 6 6 GLN CB C 6 29.131 29.131 32.494 -3.363 25515 4460 1 9 . 1 1 6 6 GLN H H 6 8.253 8.253 7.439 0.814 25515 4461 1 9 . 1 1 7 7 ARG N N 7 121.761 121.761 123.156 -1.395 25515 4462 1 9 . 1 1 7 7 ARG HA H 7 4.241 4.241 3.968 0.273 25515 4463 1 9 . 1 1 7 7 ARG C C 7 175.708 175.708 177.821 -2.113 25515 4464 1 9 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.480 -3.144 25515 4465 1 9 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.843 0.928 25515 4466 1 9 . 1 1 7 7 ARG H H 7 8.211 8.211 8.899 -0.688 25515 4467 1 9 . 1 1 8 8 SER N N 8 116.450 116.450 114.543 1.907 25515 4468 1 9 . 1 1 8 8 SER HA H 8 4.384 4.384 4.220 0.164 25515 4469 1 9 . 1 1 8 8 SER C C 8 177.569 177.569 175.895 1.674 25515 4470 1 9 . 1 1 8 8 SER CA C 8 58.298 58.298 60.853 -2.555 25515 4471 1 9 . 1 1 8 8 SER CB C 8 63.786 63.786 62.789 0.997 25515 4472 1 9 . 1 1 8 8 SER H H 8 8.220 8.220 8.334 -0.114 25515 4473 1 9 . 1 1 9 9 LEU N N 9 123.709 123.709 116.797 6.912 25515 4474 1 9 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.461 -0.107 25515 4475 1 9 . 1 1 9 9 LEU C C 9 174.915 174.915 177.844 -2.929 25515 4476 1 9 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.809 -1.833 25515 4477 1 9 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.392 1.286 25515 4478 1 9 . 1 1 9 9 LEU H H 9 8.091 8.091 7.705 0.386 25515 4479 1 9 . 1 1 10 10 SER N N 10 115.478 115.478 115.179 0.299 25515 4480 1 9 . 1 1 10 10 SER HA H 10 4.561 4.561 4.347 0.214 25515 4481 1 9 . 1 1 10 10 SER C C 10 177.096 177.096 175.225 1.871 25515 4482 1 9 . 1 1 10 10 SER CA C 10 58.016 58.016 60.580 -2.564 25515 4483 1 9 . 1 1 10 10 SER CB C 10 64.062 64.062 64.532 -0.470 25515 4484 1 9 . 1 1 10 10 SER H H 10 8.187 8.187 8.139 0.048 25515 4485 1 9 . 1 1 11 11 THR N N 11 114.393 114.393 114.611 -0.218 25515 4486 1 9 . 1 1 11 11 THR HA H 11 4.516 4.516 4.592 -0.076 25515 4487 1 9 . 1 1 11 11 THR C C 11 177.232 177.232 174.275 2.957 25515 4488 1 9 . 1 1 11 11 THR CA C 11 61.740 61.740 61.242 0.498 25515 4489 1 9 . 1 1 11 11 THR CB C 11 69.478 69.478 70.066 -0.588 25515 4490 1 9 . 1 1 11 11 THR H H 11 8.180 8.180 7.962 0.218 25515 4491 1 9 . 1 1 12 12 SER N N 12 117.125 117.125 121.559 -4.434 25515 4492 1 9 . 1 1 12 12 SER HA H 12 4.391 4.391 4.433 -0.042 25515 4493 1 9 . 1 1 12 12 SER C C 12 176.856 176.856 176.307 0.549 25515 4494 1 9 . 1 1 12 12 SER CA C 12 58.537 58.537 59.528 -0.991 25515 4495 1 9 . 1 1 12 12 SER CB C 12 63.915 63.915 63.411 0.504 25515 4496 1 9 . 1 1 12 12 SER H H 12 8.171 8.171 8.737 -0.566 25515 4497 1 9 . 1 1 13 13 GLY N N 13 111.544 111.544 108.585 2.959 25515 4498 1 9 . 1 1 13 13 GLY C C 13 178.243 178.243 174.196 4.047 25515 4499 1 9 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.185 0.295 25515 4500 1 9 . 1 1 13 13 GLY H H 13 8.381 8.381 8.063 0.318 25515 4501 1 9 . 1 1 14 14 GLU N N 14 119.223 119.223 119.541 -0.318 25515 4502 1 9 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.447 -0.007 25515 4503 1 9 . 1 1 14 14 GLU C C 14 174.876 174.876 176.165 -1.289 25515 4504 1 9 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.918 0.506 25515 4505 1 9 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.188 -0.210 25515 4506 1 9 . 1 1 14 14 GLU H H 14 8.149 8.149 8.130 0.019 25515 4507 1 9 . 1 1 15 15 SER N N 15 117.752 117.752 118.171 -0.419 25515 4508 1 9 . 1 1 15 15 SER H H 15 8.437 8.437 8.734 -0.297 25515 4509 1 9 . 1 1 16 16 LEU N N 16 121.072 121.072 121.281 -0.209 25515 4510 1 9 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.085 -0.224 25515 4511 1 9 . 1 1 16 16 LEU C C 16 174.423 174.423 178.969 -4.546 25515 4512 1 9 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.744 -0.319 25515 4513 1 9 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.058 0.618 25515 4514 1 9 . 1 1 16 16 LEU H H 16 8.233 8.233 8.501 -0.268 25515 4515 1 9 . 1 1 17 17 TYR N N 17 111.961 111.961 115.187 -3.226 25515 4516 1 9 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.136 -0.474 25515 4517 1 9 . 1 1 17 17 TYR C C 17 173.256 173.256 178.112 -4.856 25515 4518 1 9 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.885 -0.019 25515 4519 1 9 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.674 -0.267 25515 4520 1 9 . 1 1 17 17 TYR H H 17 6.929 6.929 8.040 -1.111 25515 4521 1 9 . 1 1 18 18 HIS N N 18 119.254 119.254 117.765 1.489 25515 4522 1 9 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.407 0.032 25515 4523 1 9 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.388 -0.474 25515 4524 1 9 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.628 -1.013 25515 4525 1 9 . 1 1 18 18 HIS H H 18 7.672 7.672 7.543 0.129 25515 4526 1 9 . 1 1 19 19 VAL N N 19 120.746 120.746 118.817 1.929 25515 4527 1 9 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.857 -0.152 25515 4528 1 9 . 1 1 19 19 VAL C C 19 175.643 175.643 177.110 -1.467 25515 4529 1 9 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.737 -0.204 25515 4530 1 9 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.418 0.047 25515 4531 1 9 . 1 1 19 19 VAL H H 19 7.883 7.883 7.637 0.246 25515 4532 1 9 . 1 1 20 20 LEU N N 20 114.576 114.576 118.690 -4.114 25515 4533 1 9 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.495 -0.134 25515 4534 1 9 . 1 1 20 20 LEU C C 20 175.746 175.746 177.499 -1.753 25515 4535 1 9 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.000 -1.719 25515 4536 1 9 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.290 0.610 25515 4537 1 9 . 1 1 20 20 LEU H H 20 6.626 6.626 7.663 -1.037 25515 4538 1 9 . 1 1 21 21 GLY N N 21 109.239 109.239 107.583 1.656 25515 4539 1 9 . 1 1 21 21 GLY C C 21 177.637 177.637 174.650 2.987 25515 4540 1 9 . 1 1 21 21 GLY CA C 21 46.283 46.283 46.345 -0.062 25515 4541 1 9 . 1 1 21 21 GLY H H 21 7.991 7.991 7.693 0.298 25515 4542 1 9 . 1 1 22 22 LEU N N 22 119.495 119.495 115.382 4.113 25515 4543 1 9 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.802 -0.035 25515 4544 1 9 . 1 1 22 22 LEU C C 22 177.306 177.306 175.788 1.518 25515 4545 1 9 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.889 -0.007 25515 4546 1 9 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.530 2.377 25515 4547 1 9 . 1 1 22 22 LEU H H 22 7.765 7.765 7.343 0.422 25515 4548 1 9 . 1 1 23 23 ASP N N 23 118.518 118.518 117.961 0.557 25515 4549 1 9 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.775 -0.186 25515 4550 1 9 . 1 1 23 23 ASP C C 23 176.597 176.597 177.272 -0.675 25515 4551 1 9 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.819 -0.789 25515 4552 1 9 . 1 1 23 23 ASP CB C 23 43.481 43.481 43.324 0.157 25515 4553 1 9 . 1 1 23 23 ASP H H 23 7.977 7.977 8.280 -0.303 25515 4554 1 9 . 1 1 24 24 LYS N N 24 115.499 115.499 118.415 -2.916 25515 4555 1 9 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.008 -0.856 25515 4556 1 9 . 1 1 24 24 LYS C C 24 176.231 176.231 175.588 0.643 25515 4557 1 9 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.462 -0.396 25515 4558 1 9 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.900 0.462 25515 4559 1 9 . 1 1 24 24 LYS H H 24 7.811 7.811 8.213 -0.402 25515 4560 1 9 . 1 1 25 25 ASN N N 25 115.622 115.622 116.597 -0.975 25515 4561 1 9 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.719 -0.194 25515 4562 1 9 . 1 1 25 25 ASN C C 25 176.698 176.698 174.897 1.801 25515 4563 1 9 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.891 -0.018 25515 4564 1 9 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.705 -0.631 25515 4565 1 9 . 1 1 25 25 ASN H H 25 7.817 7.817 7.852 -0.035 25515 4566 1 9 . 1 1 26 26 ALA N N 26 122.970 122.970 124.090 -1.120 25515 4567 1 9 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.438 -0.079 25515 4568 1 9 . 1 1 26 26 ALA C C 26 173.847 173.847 176.610 -2.763 25515 4569 1 9 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.507 0.410 25515 4570 1 9 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.788 1.179 25515 4571 1 9 . 1 1 26 26 ALA H H 26 7.646 7.646 7.337 0.309 25515 4572 1 9 . 1 1 27 27 THR N N 27 113.252 113.252 114.756 -1.504 25515 4573 1 9 . 1 1 27 27 THR HA H 27 4.657 4.657 4.459 0.198 25515 4574 1 9 . 1 1 27 27 THR C C 27 175.986 175.986 176.066 -0.080 25515 4575 1 9 . 1 1 27 27 THR CA C 27 60.427 60.427 59.576 0.851 25515 4576 1 9 . 1 1 27 27 THR CB C 27 71.702 71.702 70.435 1.267 25515 4577 1 9 . 1 1 27 27 THR H H 27 9.089 9.089 8.264 0.825 25515 4578 1 9 . 1 1 28 28 SER N N 28 115.961 115.961 119.198 -3.237 25515 4579 1 9 . 1 1 28 28 SER HA H 28 3.930 3.930 4.117 -0.187 25515 4580 1 9 . 1 1 28 28 SER C C 28 175.440 175.440 175.725 -0.285 25515 4581 1 9 . 1 1 28 28 SER CA C 28 62.515 62.515 61.611 0.904 25515 4582 1 9 . 1 1 28 28 SER CB C 28 62.713 62.713 62.881 -0.168 25515 4583 1 9 . 1 1 28 28 SER H H 28 9.095 9.095 8.854 0.241 25515 4584 1 9 . 1 1 29 29 ASP N N 29 119.797 119.797 123.106 -3.309 25515 4585 1 9 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.364 0.039 25515 4586 1 9 . 1 1 29 29 ASP C C 29 173.862 173.862 178.097 -4.235 25515 4587 1 9 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.962 -0.180 25515 4588 1 9 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.452 0.599 25515 4589 1 9 . 1 1 29 29 ASP H H 29 8.122 8.122 7.738 0.384 25515 4590 1 9 . 1 1 30 30 ASP N N 30 120.847 120.847 119.578 1.269 25515 4591 1 9 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.591 -0.244 25515 4592 1 9 . 1 1 30 30 ASP C C 30 172.627 172.627 178.574 -5.947 25515 4593 1 9 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.904 0.785 25515 4594 1 9 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.004 -0.022 25515 4595 1 9 . 1 1 30 30 ASP H H 30 7.851 7.851 7.723 0.128 25515 4596 1 9 . 1 1 31 31 ILE N N 31 121.776 121.776 120.661 1.115 25515 4597 1 9 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.624 -0.108 25515 4598 1 9 . 1 1 31 31 ILE C C 31 174.709 174.709 178.109 -3.400 25515 4599 1 9 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.490 -0.004 25515 4600 1 9 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.934 0.307 25515 4601 1 9 . 1 1 31 31 ILE H H 31 8.122 8.122 7.957 0.165 25515 4602 1 9 . 1 1 32 32 LYS N N 32 119.510 119.510 119.923 -0.413 25515 4603 1 9 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.275 -0.198 25515 4604 1 9 . 1 1 32 32 LYS C C 32 172.959 172.959 179.189 -6.230 25515 4605 1 9 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.406 1.429 25515 4606 1 9 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.523 -0.019 25515 4607 1 9 . 1 1 32 32 LYS H H 32 8.172 8.172 7.917 0.255 25515 4608 1 9 . 1 1 33 33 LYS N N 33 119.042 119.042 120.277 -1.235 25515 4609 1 9 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.038 -0.070 25515 4610 1 9 . 1 1 33 33 LYS C C 33 172.323 172.323 178.829 -6.506 25515 4611 1 9 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.700 0.306 25515 4612 1 9 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.307 0.406 25515 4613 1 9 . 1 1 33 33 LYS H H 33 8.342 8.342 8.298 0.044 25515 4614 1 9 . 1 1 34 34 SER N N 34 115.060 115.060 114.733 0.327 25515 4615 1 9 . 1 1 34 34 SER HA H 34 4.260 4.260 4.112 0.148 25515 4616 1 9 . 1 1 34 34 SER C C 34 175.503 175.503 176.252 -0.749 25515 4617 1 9 . 1 1 34 34 SER CA C 34 61.734 61.734 61.373 0.361 25515 4618 1 9 . 1 1 34 34 SER CB C 34 63.088 63.088 63.218 -0.130 25515 4619 1 9 . 1 1 34 34 SER H H 34 8.161 8.161 8.375 -0.214 25515 4620 1 9 . 1 1 35 35 TYR N N 35 119.241 119.241 122.176 -2.935 25515 4621 1 9 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.195 -0.321 25515 4622 1 9 . 1 1 35 35 TYR C C 35 176.352 176.352 177.141 -0.789 25515 4623 1 9 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.772 0.097 25515 4624 1 9 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.409 0.381 25515 4625 1 9 . 1 1 35 35 TYR H H 35 8.499 8.499 7.993 0.506 25515 4626 1 9 . 1 1 36 36 ARG N N 36 116.674 116.674 117.786 -1.112 25515 4627 1 9 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.663 -0.210 25515 4628 1 9 . 1 1 36 36 ARG C C 36 173.135 173.135 178.498 -5.363 25515 4629 1 9 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.545 1.065 25515 4630 1 9 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.419 0.460 25515 4631 1 9 . 1 1 36 36 ARG H H 36 7.967 7.967 7.852 0.115 25515 4632 1 9 . 1 1 37 37 LYS N N 37 116.974 116.974 119.157 -2.183 25515 4633 1 9 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.989 -0.019 25515 4634 1 9 . 1 1 37 37 LYS C C 37 172.489 172.489 179.638 -7.149 25515 4635 1 9 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.182 0.195 25515 4636 1 9 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.095 0.662 25515 4637 1 9 . 1 1 37 37 LYS H H 37 7.275 7.275 7.659 -0.384 25515 4638 1 9 . 1 1 38 38 LEU N N 38 120.978 120.978 118.645 2.333 25515 4639 1 9 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.317 -0.294 25515 4640 1 9 . 1 1 38 38 LEU C C 38 173.557 173.557 178.516 -4.959 25515 4641 1 9 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.440 0.964 25515 4642 1 9 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.051 0.317 25515 4643 1 9 . 1 1 38 38 LEU H H 38 8.268 8.268 7.667 0.601 25515 4644 1 9 . 1 1 39 39 ALA N N 39 122.700 122.700 123.244 -0.544 25515 4645 1 9 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.851 0.034 25515 4646 1 9 . 1 1 39 39 ALA C C 39 172.721 172.721 178.947 -6.226 25515 4647 1 9 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.311 0.129 25515 4648 1 9 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.161 -1.211 25515 4649 1 9 . 1 1 39 39 ALA H H 39 9.043 9.043 8.207 0.836 25515 4650 1 9 . 1 1 40 40 LEU N N 40 114.462 114.462 114.064 0.398 25515 4651 1 9 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.956 0.076 25515 4652 1 9 . 1 1 40 40 LEU C C 40 173.110 173.110 179.130 -6.020 25515 4653 1 9 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.701 0.608 25515 4654 1 9 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.116 1.918 25515 4655 1 9 . 1 1 40 40 LEU H H 40 6.862 6.862 7.460 -0.598 25515 4656 1 9 . 1 1 41 41 LYS N N 41 118.126 118.126 121.832 -3.706 25515 4657 1 9 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.777 0.065 25515 4658 1 9 . 1 1 41 41 LYS C C 41 173.695 173.695 177.568 -3.873 25515 4659 1 9 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.090 -0.348 25515 4660 1 9 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.413 0.574 25515 4661 1 9 . 1 1 41 41 LYS H H 41 7.135 7.135 7.587 -0.452 25515 4662 1 9 . 1 1 42 42 TYR N N 42 113.902 113.902 114.227 -0.325 25515 4663 1 9 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.732 -0.242 25515 4664 1 9 . 1 1 42 42 TYR C C 42 178.884 178.884 174.734 4.150 25515 4665 1 9 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.265 0.748 25515 4666 1 9 . 1 1 42 42 TYR CB C 42 38.510 38.510 37.740 0.769 25515 4667 1 9 . 1 1 42 42 TYR H H 42 7.756 7.756 7.845 -0.089 25515 4668 1 9 . 1 1 43 43 HIS N N 43 120.909 120.909 122.342 -1.433 25515 4669 1 9 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.155 -0.683 25515 4670 1 9 . 1 1 43 43 HIS CA C 43 56.899 56.899 55.632 1.267 25515 4671 1 9 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.270 -0.145 25515 4672 1 9 . 1 1 43 43 HIS H H 43 7.134 7.134 7.549 -0.415 25515 4673 1 9 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.089 -0.091 25515 4674 1 9 . 1 1 44 44 PRO C C 44 172.774 172.774 178.413 -5.639 25515 4675 1 9 . 1 1 44 44 PRO CA C 44 65.605 65.605 66.164 -0.559 25515 4676 1 9 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.727 -0.117 25515 4677 1 9 . 1 1 45 45 ASP N N 45 121.379 121.379 113.935 7.444 25515 4678 1 9 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.503 -0.146 25515 4679 1 9 . 1 1 45 45 ASP C C 45 173.968 173.968 177.198 -3.230 25515 4680 1 9 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.700 2.071 25515 4681 1 9 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.795 -0.672 25515 4682 1 9 . 1 1 45 45 ASP H H 45 10.727 10.727 8.487 2.240 25515 4683 1 9 . 1 1 46 46 LYS N N 46 115.902 115.902 117.832 -1.930 25515 4684 1 9 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.158 0.200 25515 4685 1 9 . 1 1 46 46 LYS C C 46 176.450 176.450 176.725 -0.275 25515 4686 1 9 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.919 -2.146 25515 4687 1 9 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.494 0.695 25515 4688 1 9 . 1 1 46 46 LYS H H 46 7.475 7.475 8.158 -0.683 25515 4689 1 9 . 1 1 47 47 ASN N N 47 117.709 117.709 118.731 -1.022 25515 4690 1 9 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.165 -0.015 25515 4691 1 9 . 1 1 47 47 ASN C C 47 170.657 170.657 173.247 -2.590 25515 4692 1 9 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.129 0.411 25515 4693 1 9 . 1 1 47 47 ASN CB C 47 41.556 41.556 38.862 2.694 25515 4694 1 9 . 1 1 47 47 ASN H H 47 7.410 7.410 7.520 -0.110 25515 4695 1 9 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.489 -0.123 25515 4696 1 9 . 1 1 48 48 PRO C C 48 174.739 174.739 176.413 -1.674 25515 4697 1 9 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.686 1.426 25515 4698 1 9 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.505 -0.981 25515 4699 1 9 . 1 1 49 49 ASP N N 49 117.619 117.619 117.498 0.121 25515 4700 1 9 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.455 -0.078 25515 4701 1 9 . 1 1 49 49 ASP C C 49 177.335 177.335 175.990 1.345 25515 4702 1 9 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.250 -0.665 25515 4703 1 9 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.080 -0.826 25515 4704 1 9 . 1 1 49 49 ASP H H 49 8.679 8.679 8.432 0.247 25515 4705 1 9 . 1 1 50 50 ASN N N 50 114.537 114.537 118.114 -3.577 25515 4706 1 9 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.654 0.546 25515 4707 1 9 . 1 1 50 50 ASN C C 50 178.245 178.245 175.171 3.074 25515 4708 1 9 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.402 -2.267 25515 4709 1 9 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.058 1.518 25515 4710 1 9 . 1 1 50 50 ASN H H 50 7.341 7.341 8.110 -0.769 25515 4711 1 9 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.444 -0.080 25515 4712 1 9 . 1 1 51 51 PRO C C 51 173.714 173.714 178.050 -4.336 25515 4713 1 9 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.693 0.925 25515 4714 1 9 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.027 0.074 25515 4715 1 9 . 1 1 52 52 GLU N N 52 118.597 118.597 120.994 -2.397 25515 4716 1 9 . 1 1 52 52 GLU HA H 52 4.188 4.188 3.970 0.218 25515 4717 1 9 . 1 1 52 52 GLU C C 52 173.216 173.216 178.254 -5.038 25515 4718 1 9 . 1 1 52 52 GLU CA C 52 58.950 58.950 59.868 -0.918 25515 4719 1 9 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.345 -0.146 25515 4720 1 9 . 1 1 52 52 GLU H H 52 8.048 8.048 8.772 -0.724 25515 4721 1 9 . 1 1 53 53 ALA N N 53 122.149 122.149 120.875 1.274 25515 4722 1 9 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.186 -0.212 25515 4723 1 9 . 1 1 53 53 ALA C C 53 173.485 173.485 179.095 -5.610 25515 4724 1 9 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.635 0.436 25515 4725 1 9 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.468 -0.691 25515 4726 1 9 . 1 1 53 53 ALA H H 53 7.606 7.606 7.603 0.003 25515 4727 1 9 . 1 1 54 54 ALA N N 54 119.475 119.475 122.441 -2.966 25515 4728 1 9 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.089 0.138 25515 4729 1 9 . 1 1 54 54 ALA C C 54 171.125 171.125 179.135 -8.010 25515 4730 1 9 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.891 0.280 25515 4731 1 9 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.496 -0.649 25515 4732 1 9 . 1 1 54 54 ALA H H 54 7.680 7.680 8.120 -0.440 25515 4733 1 9 . 1 1 55 55 ASP N N 55 120.134 120.134 118.911 1.223 25515 4734 1 9 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.313 0.108 25515 4735 1 9 . 1 1 55 55 ASP C C 55 173.088 173.088 178.732 -5.644 25515 4736 1 9 . 1 1 55 55 ASP CA C 55 57.406 57.406 58.097 -0.691 25515 4737 1 9 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.863 -0.534 25515 4738 1 9 . 1 1 55 55 ASP H H 55 7.983 7.983 8.340 -0.357 25515 4739 1 9 . 1 1 56 56 LYS N N 56 120.915 120.915 119.869 1.046 25515 4740 1 9 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.879 0.031 25515 4741 1 9 . 1 1 56 56 LYS C C 56 173.210 173.210 178.735 -5.525 25515 4742 1 9 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.784 -0.303 25515 4743 1 9 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.535 -0.627 25515 4744 1 9 . 1 1 56 56 LYS H H 56 7.758 7.758 7.730 0.028 25515 4745 1 9 . 1 1 57 57 PHE N N 57 120.024 120.024 120.273 -0.249 25515 4746 1 9 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.095 -0.090 25515 4747 1 9 . 1 1 57 57 PHE C C 57 174.430 174.430 177.279 -2.849 25515 4748 1 9 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.645 1.895 25515 4749 1 9 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.492 0.597 25515 4750 1 9 . 1 1 57 57 PHE H H 57 8.861 8.861 8.518 0.343 25515 4751 1 9 . 1 1 58 58 LYS N N 58 119.306 119.306 119.708 -0.402 25515 4752 1 9 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.642 0.311 25515 4753 1 9 . 1 1 58 58 LYS C C 58 172.875 172.875 178.626 -5.751 25515 4754 1 9 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.972 -0.111 25515 4755 1 9 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.362 -0.053 25515 4756 1 9 . 1 1 58 58 LYS H H 58 7.846 7.846 8.267 -0.421 25515 4757 1 9 . 1 1 59 59 GLU N N 59 119.732 119.732 118.003 1.729 25515 4758 1 9 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.091 -0.042 25515 4759 1 9 . 1 1 59 59 GLU C C 59 171.935 171.935 179.188 -7.253 25515 4760 1 9 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.117 0.356 25515 4761 1 9 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.273 0.553 25515 4762 1 9 . 1 1 59 59 GLU H H 59 7.732 7.732 8.178 -0.446 25515 4763 1 9 . 1 1 60 60 ILE N N 60 119.074 119.074 121.813 -2.739 25515 4764 1 9 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.700 -0.012 25515 4765 1 9 . 1 1 60 60 ILE C C 60 174.424 174.424 178.365 -3.941 25515 4766 1 9 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.142 -0.868 25515 4767 1 9 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.855 0.592 25515 4768 1 9 . 1 1 60 60 ILE H H 60 8.429 8.429 8.607 -0.178 25515 4769 1 9 . 1 1 61 61 ASN N N 61 120.038 120.038 117.388 2.650 25515 4770 1 9 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.450 -0.149 25515 4771 1 9 . 1 1 61 61 ASN C C 61 174.271 174.271 177.627 -3.356 25515 4772 1 9 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.843 0.713 25515 4773 1 9 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.370 -0.087 25515 4774 1 9 . 1 1 61 61 ASN H H 61 8.025 8.025 8.597 -0.572 25515 4775 1 9 . 1 1 62 62 ASN N N 62 119.502 119.502 119.483 0.019 25515 4776 1 9 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.373 -0.063 25515 4777 1 9 . 1 1 62 62 ASN C C 62 176.042 176.042 177.035 -0.993 25515 4778 1 9 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.946 -0.398 25515 4779 1 9 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.532 0.189 25515 4780 1 9 . 1 1 62 62 ASN H H 62 8.042 8.042 8.186 -0.144 25515 4781 1 9 . 1 1 63 63 ALA N N 63 119.769 119.769 121.838 -2.069 25515 4782 1 9 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.868 -0.182 25515 4783 1 9 . 1 1 63 63 ALA C C 63 173.564 173.564 179.417 -5.853 25515 4784 1 9 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.851 0.689 25515 4785 1 9 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.058 0.448 25515 4786 1 9 . 1 1 63 63 ALA H H 63 7.944 7.944 8.415 -0.471 25515 4787 1 9 . 1 1 64 64 HIS N N 64 115.292 115.292 118.562 -3.270 25515 4788 1 9 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.177 -0.650 25515 4789 1 9 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.213 1.171 25515 4790 1 9 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.561 0.374 25515 4791 1 9 . 1 1 64 64 HIS H H 64 8.055 8.055 8.429 -0.374 25515 4792 1 9 . 1 1 65 65 ALA N N 65 122.093 122.093 120.415 1.678 25515 4793 1 9 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.970 -0.464 25515 4794 1 9 . 1 1 65 65 ALA C C 65 172.454 172.454 178.782 -6.328 25515 4795 1 9 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.827 1.164 25515 4796 1 9 . 1 1 65 65 ALA CB C 65 18.138 18.138 20.001 -1.863 25515 4797 1 9 . 1 1 65 65 ALA H H 65 7.944 7.944 7.510 0.434 25515 4798 1 9 . 1 1 66 66 ILE N N 66 115.954 115.954 119.015 -3.061 25515 4799 1 9 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.629 -0.171 25515 4800 1 9 . 1 1 66 66 ILE C C 66 175.394 175.394 178.653 -3.259 25515 4801 1 9 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.598 0.010 25515 4802 1 9 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.208 1.781 25515 4803 1 9 . 1 1 66 66 ILE H H 66 7.358 7.358 8.243 -0.885 25515 4804 1 9 . 1 1 67 67 LEU N N 67 111.268 111.268 117.290 -6.022 25515 4805 1 9 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.955 -0.280 25515 4806 1 9 . 1 1 67 67 LEU C C 67 174.490 174.490 179.048 -4.558 25515 4807 1 9 . 1 1 67 67 LEU CA C 67 56.567 56.567 57.152 -0.585 25515 4808 1 9 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.880 2.174 25515 4809 1 9 . 1 1 67 67 LEU H H 67 7.743 7.743 7.786 -0.043 25515 4810 1 9 . 1 1 68 68 THR N N 68 103.399 103.399 109.924 -6.525 25515 4811 1 9 . 1 1 68 68 THR HA H 68 4.023 4.023 4.165 -0.142 25515 4812 1 9 . 1 1 68 68 THR C C 68 178.796 178.796 173.461 5.335 25515 4813 1 9 . 1 1 68 68 THR CA C 68 61.672 61.672 62.608 -0.936 25515 4814 1 9 . 1 1 68 68 THR CB C 68 69.052 69.052 68.528 0.524 25515 4815 1 9 . 1 1 68 68 THR H H 68 7.104 7.104 7.531 -0.427 25515 4816 1 9 . 1 1 69 69 ASP N N 69 125.057 125.057 122.520 2.537 25515 4817 1 9 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.659 0.042 25515 4818 1 9 . 1 1 69 69 ASP C C 69 177.204 177.204 176.070 1.134 25515 4819 1 9 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.273 -0.514 25515 4820 1 9 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.626 0.125 25515 4821 1 9 . 1 1 69 69 ASP H H 69 7.076 7.076 7.335 -0.259 25515 4822 1 9 . 1 1 70 70 ALA N N 70 128.178 128.178 130.116 -1.938 25515 4823 1 9 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.051 -0.154 25515 4824 1 9 . 1 1 70 70 ALA C C 70 171.909 171.909 179.008 -7.099 25515 4825 1 9 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.015 0.811 25515 4826 1 9 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.778 -0.304 25515 4827 1 9 . 1 1 70 70 ALA H H 70 8.761 8.761 8.859 -0.098 25515 4828 1 9 . 1 1 71 71 THR N N 71 113.629 113.629 115.340 -1.711 25515 4829 1 9 . 1 1 71 71 THR HA H 71 3.981 3.981 4.083 -0.102 25515 4830 1 9 . 1 1 71 71 THR C C 71 175.038 175.038 176.661 -1.623 25515 4831 1 9 . 1 1 71 71 THR CA C 71 66.164 66.164 66.200 -0.035 25515 4832 1 9 . 1 1 71 71 THR CB C 71 68.319 68.319 68.950 -0.631 25515 4833 1 9 . 1 1 71 71 THR H H 71 7.957 7.957 7.858 0.099 25515 4834 1 9 . 1 1 72 72 LYS N N 72 122.501 122.501 121.202 1.299 25515 4835 1 9 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.107 -0.297 25515 4836 1 9 . 1 1 72 72 LYS C C 72 173.814 173.814 179.089 -5.275 25515 4837 1 9 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.408 0.883 25515 4838 1 9 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.162 0.644 25515 4839 1 9 . 1 1 72 72 LYS H H 72 8.309 8.309 9.052 -0.743 25515 4840 1 9 . 1 1 73 73 ARG N N 73 120.595 120.595 118.904 1.691 25515 4841 1 9 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.098 -0.495 25515 4842 1 9 . 1 1 73 73 ARG C C 73 174.477 174.477 177.880 -3.403 25515 4843 1 9 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.938 1.891 25515 4844 1 9 . 1 1 73 73 ARG H H 73 9.258 9.258 8.159 1.099 25515 4845 1 9 . 1 1 74 74 ASN N N 74 115.425 115.425 119.034 -3.609 25515 4846 1 9 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.507 -0.076 25515 4847 1 9 . 1 1 74 74 ASN C C 74 174.296 174.296 178.090 -3.794 25515 4848 1 9 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.646 0.064 25515 4849 1 9 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.383 0.347 25515 4850 1 9 . 1 1 74 74 ASN H H 74 7.534 7.534 7.766 -0.232 25515 4851 1 9 . 1 1 75 75 ILE N N 75 119.020 119.020 118.256 0.764 25515 4852 1 9 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.950 -0.317 25515 4853 1 9 . 1 1 75 75 ILE C C 75 174.667 174.667 177.228 -2.561 25515 4854 1 9 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.638 1.867 25515 4855 1 9 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.383 1.842 25515 4856 1 9 . 1 1 75 75 ILE H H 75 7.656 7.656 8.159 -0.503 25515 4857 1 9 . 1 1 76 76 TYR N N 76 121.913 121.913 122.866 -0.953 25515 4858 1 9 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.050 -0.035 25515 4859 1 9 . 1 1 76 76 TYR C C 76 173.323 173.323 177.028 -3.705 25515 4860 1 9 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.179 -0.632 25515 4861 1 9 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.261 0.492 25515 4862 1 9 . 1 1 76 76 TYR H H 76 8.894 8.894 7.846 1.048 25515 4863 1 9 . 1 1 77 77 ASP N N 77 120.151 120.151 116.558 3.593 25515 4864 1 9 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.354 -0.017 25515 4865 1 9 . 1 1 77 77 ASP C C 77 174.321 174.321 177.606 -3.285 25515 4866 1 9 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.557 1.362 25515 4867 1 9 . 1 1 77 77 ASP CB C 77 39.985 39.985 40.986 -1.001 25515 4868 1 9 . 1 1 77 77 ASP H H 77 9.151 9.151 7.860 1.291 25515 4869 1 9 . 1 1 78 78 LYS N N 78 117.659 117.659 118.525 -0.866 25515 4870 1 9 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.077 -0.150 25515 4871 1 9 . 1 1 78 78 LYS C C 78 174.237 174.237 177.351 -3.114 25515 4872 1 9 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.117 0.296 25515 4873 1 9 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.082 0.560 25515 4874 1 9 . 1 1 78 78 LYS H H 78 7.378 7.378 7.601 -0.223 25515 4875 1 9 . 1 1 79 79 TYR N N 79 115.151 115.151 115.168 -0.017 25515 4876 1 9 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.661 -0.040 25515 4877 1 9 . 1 1 79 79 TYR C C 79 175.424 175.424 177.736 -2.312 25515 4878 1 9 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.080 -2.507 25515 4879 1 9 . 1 1 79 79 TYR H H 79 8.505 8.505 8.520 -0.015 25515 4880 1 9 . 1 1 80 80 GLY N N 80 110.813 110.813 107.770 3.043 25515 4881 1 9 . 1 1 80 80 GLY C C 80 177.481 177.481 175.307 2.174 25515 4882 1 9 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.808 -1.263 25515 4883 1 9 . 1 1 80 80 GLY H H 80 8.222 8.222 8.736 -0.514 25515 4884 1 9 . 1 1 81 81 SER N N 81 117.578 117.578 115.930 1.648 25515 4885 1 9 . 1 1 81 81 SER C C 81 174.532 174.532 176.471 -1.939 25515 4886 1 9 . 1 1 81 81 SER CA C 81 61.579 61.579 60.500 1.079 25515 4887 1 9 . 1 1 81 81 SER H H 81 8.883 8.883 7.979 0.904 25515 4888 1 9 . 1 1 82 82 LEU N N 82 123.998 123.998 120.873 3.125 25515 4889 1 9 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.525 -0.254 25515 4890 1 9 . 1 1 82 82 LEU C C 82 173.400 173.400 178.387 -4.987 25515 4891 1 9 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.528 0.404 25515 4892 1 9 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.809 -0.422 25515 4893 1 9 . 1 1 82 82 LEU H H 82 8.920 8.920 8.081 0.839 25515 4894 1 9 . 1 1 83 83 GLY N N 83 105.677 105.677 106.940 -1.263 25515 4895 1 9 . 1 1 83 83 GLY C C 83 177.230 177.230 176.409 0.821 25515 4896 1 9 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.786 -0.138 25515 4897 1 9 . 1 1 83 83 GLY H H 83 7.565 7.565 8.917 -1.352 25515 4898 1 9 . 1 1 84 84 LEU N N 84 119.542 119.542 121.102 -1.560 25515 4899 1 9 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.181 -0.122 25515 4900 1 9 . 1 1 84 84 LEU C C 84 173.036 173.036 177.923 -4.887 25515 4901 1 9 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.070 0.363 25515 4902 1 9 . 1 1 84 84 LEU H H 84 7.495 7.495 7.663 -0.168 25515 4903 1 9 . 1 1 85 85 TYR N N 85 121.424 121.424 118.220 3.204 25515 4904 1 9 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.626 -0.368 25515 4905 1 9 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.329 0.641 25515 4906 1 9 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.678 0.630 25515 4907 1 9 . 1 1 85 85 TYR H H 85 7.894 7.894 7.608 0.286 25515 4908 1 9 . 1 1 86 86 VAL N N 86 120.088 120.088 119.337 0.751 25515 4909 1 9 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.318 -0.042 25515 4910 1 9 . 1 1 86 86 VAL C C 86 174.300 174.300 177.119 -2.819 25515 4911 1 9 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.409 1.900 25515 4912 1 9 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.409 0.265 25515 4913 1 9 . 1 1 86 86 VAL H H 86 8.402 8.402 8.272 0.130 25515 4914 1 9 . 1 1 87 87 ALA N N 87 121.800 121.800 121.215 0.585 25515 4915 1 9 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.214 -0.477 25515 4916 1 9 . 1 1 87 87 ALA C C 87 172.312 172.312 179.028 -6.716 25515 4917 1 9 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.637 -0.194 25515 4918 1 9 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.250 0.151 25515 4919 1 9 . 1 1 87 87 ALA H H 87 8.317 8.317 7.429 0.888 25515 4920 1 9 . 1 1 88 88 GLU N N 88 118.012 118.012 118.688 -0.676 25515 4921 1 9 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.140 -0.265 25515 4922 1 9 . 1 1 88 88 GLU C C 88 174.071 174.071 178.871 -4.800 25515 4923 1 9 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.458 0.308 25515 4924 1 9 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.856 -0.307 25515 4925 1 9 . 1 1 88 88 GLU H H 88 7.777 7.777 7.663 0.114 25515 4926 1 9 . 1 1 89 89 GLN N N 89 116.164 116.164 116.818 -0.654 25515 4927 1 9 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.087 -0.376 25515 4928 1 9 . 1 1 89 89 GLN C C 89 174.572 174.572 177.019 -2.447 25515 4929 1 9 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.773 -0.728 25515 4930 1 9 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.359 -0.695 25515 4931 1 9 . 1 1 89 89 GLN H H 89 7.704 7.704 7.971 -0.267 25515 4932 1 9 . 1 1 90 90 PHE N N 90 114.734 114.734 116.348 -1.614 25515 4933 1 9 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.592 0.118 25515 4934 1 9 . 1 1 90 90 PHE C C 90 175.715 175.715 175.771 -0.056 25515 4935 1 9 . 1 1 90 90 PHE CA C 90 57.405 57.405 58.327 -0.922 25515 4936 1 9 . 1 1 90 90 PHE CB C 90 40.203 40.203 41.044 -0.841 25515 4937 1 9 . 1 1 90 90 PHE H H 90 8.241 8.241 7.785 0.456 25515 4938 1 9 . 1 1 91 91 GLY N N 91 111.234 111.234 107.673 3.561 25515 4939 1 9 . 1 1 91 91 GLY C C 91 176.788 176.788 174.582 2.206 25515 4940 1 9 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.689 0.481 25515 4941 1 9 . 1 1 91 91 GLY H H 91 7.668 7.668 7.619 0.049 25515 4942 1 9 . 1 1 92 92 GLU N N 92 123.392 123.392 124.317 -0.925 25515 4943 1 9 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.928 -0.086 25515 4944 1 9 . 1 1 92 92 GLU C C 92 174.798 174.798 178.009 -3.211 25515 4945 1 9 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.790 -0.532 25515 4946 1 9 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.690 -0.072 25515 4947 1 9 . 1 1 92 92 GLU H H 92 8.793 8.793 8.620 0.173 25515 4948 1 9 . 1 1 93 93 GLU N N 93 118.621 118.621 119.750 -1.129 25515 4949 1 9 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.071 0.114 25515 4950 1 9 . 1 1 93 93 GLU C C 93 175.143 175.143 178.656 -3.513 25515 4951 1 9 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.869 -0.984 25515 4952 1 9 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.577 -0.510 25515 4953 1 9 . 1 1 93 93 GLU H H 93 9.356 9.356 8.720 0.635 25515 4954 1 9 . 1 1 94 94 ASN N N 94 116.563 116.563 118.568 -2.005 25515 4955 1 9 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.555 0.356 25515 4956 1 9 . 1 1 94 94 ASN C C 94 176.192 176.192 177.938 -1.746 25515 4957 1 9 . 1 1 94 94 ASN CA C 94 53.311 53.311 56.199 -2.888 25515 4958 1 9 . 1 1 94 94 ASN CB C 94 39.744 39.744 38.323 1.421 25515 4959 1 9 . 1 1 94 94 ASN H H 94 7.881 7.881 7.557 0.324 25515 4960 1 9 . 1 1 95 95 VAL N N 95 119.858 119.858 118.627 1.231 25515 4961 1 9 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.617 0.123 25515 4962 1 9 . 1 1 95 95 VAL C C 95 175.715 175.715 176.922 -1.207 25515 4963 1 9 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.772 -1.274 25515 4964 1 9 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.134 0.832 25515 4965 1 9 . 1 1 95 95 VAL H H 95 7.405 7.405 8.471 -1.066 25515 4966 1 9 . 1 1 96 96 ASN N N 96 116.409 116.409 117.402 -0.993 25515 4967 1 9 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.598 -0.140 25515 4968 1 9 . 1 1 96 96 ASN C C 96 175.322 175.322 176.826 -1.504 25515 4969 1 9 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.714 0.004 25515 4970 1 9 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.413 -0.197 25515 4971 1 9 . 1 1 96 96 ASN H H 96 8.356 8.356 7.800 0.556 25515 4972 1 9 . 1 1 97 97 THR N N 97 111.266 111.266 114.068 -2.802 25515 4973 1 9 . 1 1 97 97 THR HA H 97 3.993 3.993 4.095 -0.102 25515 4974 1 9 . 1 1 97 97 THR C C 97 177.418 177.418 175.414 2.004 25515 4975 1 9 . 1 1 97 97 THR CA C 97 63.604 63.604 65.406 -1.802 25515 4976 1 9 . 1 1 97 97 THR CB C 97 69.162 69.162 69.061 0.101 25515 4977 1 9 . 1 1 97 97 THR H H 97 7.575 7.575 8.406 -0.831 25515 4978 1 9 . 1 1 98 98 TYR N N 98 119.963 119.963 119.899 0.064 25515 4979 1 9 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.340 -0.017 25515 4980 1 9 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.242 -1.044 25515 4981 1 9 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.523 -0.279 25515 4982 1 9 . 1 1 98 98 TYR H H 98 7.480 7.480 7.766 -0.286 25515 4983 1 9 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.438 0.122 25515 4984 1 9 . 1 1 99 99 PHE C C 99 177.317 177.317 175.835 1.482 25515 4985 1 9 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.694 -0.701 25515 4986 1 9 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.918 0.724 25515 4987 1 10 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.497 -0.206 25515 4988 1 10 . 1 1 2 2 ALA C C 2 175.019 175.019 175.921 -0.902 25515 4989 1 10 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.650 0.921 25515 4990 1 10 . 1 1 2 2 ALA CB C 2 19.119 19.119 20.640 -1.521 25515 4991 1 10 . 1 1 3 3 ASP N N 3 120.192 120.192 122.399 -2.207 25515 4992 1 10 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.449 0.036 25515 4993 1 10 . 1 1 3 3 ASP C C 3 175.549 175.549 175.627 -0.078 25515 4994 1 10 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.528 -0.276 25515 4995 1 10 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.041 0.191 25515 4996 1 10 . 1 1 3 3 ASP H H 3 8.336 8.336 8.451 -0.115 25515 4997 1 10 . 1 1 4 4 GLN N N 4 121.286 121.286 121.528 -0.242 25515 4998 1 10 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.508 -0.306 25515 4999 1 10 . 1 1 4 4 GLN C C 4 175.579 175.579 176.089 -0.510 25515 5000 1 10 . 1 1 4 4 GLN CA C 4 56.326 56.326 54.809 1.517 25515 5001 1 10 . 1 1 4 4 GLN CB C 4 29.117 29.117 31.421 -2.304 25515 5002 1 10 . 1 1 4 4 GLN H H 4 8.404 8.404 8.421 -0.017 25515 5003 1 10 . 1 1 5 5 ARG N N 5 121.138 121.138 119.966 1.172 25515 5004 1 10 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.153 0.011 25515 5005 1 10 . 1 1 5 5 ARG C C 5 175.327 175.327 176.535 -1.208 25515 5006 1 10 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.116 0.660 25515 5007 1 10 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.018 0.493 25515 5008 1 10 . 1 1 5 5 ARG H H 5 8.281 8.281 8.497 -0.216 25515 5009 1 10 . 1 1 6 6 GLN N N 6 120.348 120.348 115.059 5.289 25515 5010 1 10 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.104 0.085 25515 5011 1 10 . 1 1 6 6 GLN C C 6 175.838 175.838 176.365 -0.527 25515 5012 1 10 . 1 1 6 6 GLN CA C 6 56.208 56.208 56.571 -0.363 25515 5013 1 10 . 1 1 6 6 GLN CB C 6 29.131 29.131 28.204 0.927 25515 5014 1 10 . 1 1 6 6 GLN H H 6 8.253 8.253 8.181 0.072 25515 5015 1 10 . 1 1 7 7 ARG N N 7 121.761 121.761 120.310 1.451 25515 5016 1 10 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.357 -0.116 25515 5017 1 10 . 1 1 7 7 ARG C C 7 175.708 175.708 176.414 -0.706 25515 5018 1 10 . 1 1 7 7 ARG CA C 7 56.336 56.336 57.891 -1.555 25515 5019 1 10 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.227 0.544 25515 5020 1 10 . 1 1 7 7 ARG H H 7 8.211 8.211 8.303 -0.092 25515 5021 1 10 . 1 1 8 8 SER N N 8 116.450 116.450 114.999 1.451 25515 5022 1 10 . 1 1 8 8 SER HA H 8 4.384 4.384 4.467 -0.083 25515 5023 1 10 . 1 1 8 8 SER C C 8 177.569 177.569 175.289 2.280 25515 5024 1 10 . 1 1 8 8 SER CA C 8 58.298 58.298 59.543 -1.245 25515 5025 1 10 . 1 1 8 8 SER CB C 8 63.786 63.786 64.046 -0.260 25515 5026 1 10 . 1 1 8 8 SER H H 8 8.220 8.220 8.116 0.104 25515 5027 1 10 . 1 1 9 9 LEU N N 9 123.709 123.709 119.808 3.901 25515 5028 1 10 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.445 -0.091 25515 5029 1 10 . 1 1 9 9 LEU C C 9 174.915 174.915 176.984 -2.069 25515 5030 1 10 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.627 -1.651 25515 5031 1 10 . 1 1 9 9 LEU CB C 9 42.678 42.678 40.526 2.152 25515 5032 1 10 . 1 1 9 9 LEU H H 9 8.091 8.091 8.342 -0.251 25515 5033 1 10 . 1 1 10 10 SER N N 10 115.478 115.478 113.694 1.784 25515 5034 1 10 . 1 1 10 10 SER HA H 10 4.561 4.561 4.443 0.118 25515 5035 1 10 . 1 1 10 10 SER C C 10 177.096 177.096 174.703 2.393 25515 5036 1 10 . 1 1 10 10 SER CA C 10 58.016 58.016 58.289 -0.273 25515 5037 1 10 . 1 1 10 10 SER CB C 10 64.062 64.062 63.639 0.423 25515 5038 1 10 . 1 1 10 10 SER H H 10 8.187 8.187 8.019 0.168 25515 5039 1 10 . 1 1 11 11 THR N N 11 114.393 114.393 114.675 -0.282 25515 5040 1 10 . 1 1 11 11 THR HA H 11 4.516 4.516 4.511 0.005 25515 5041 1 10 . 1 1 11 11 THR C C 11 177.232 177.232 174.497 2.735 25515 5042 1 10 . 1 1 11 11 THR CA C 11 61.740 61.740 60.895 0.845 25515 5043 1 10 . 1 1 11 11 THR CB C 11 69.478 69.478 70.948 -1.470 25515 5044 1 10 . 1 1 11 11 THR H H 11 8.180 8.180 7.511 0.669 25515 5045 1 10 . 1 1 12 12 SER N N 12 117.125 117.125 120.877 -3.752 25515 5046 1 10 . 1 1 12 12 SER HA H 12 4.391 4.391 4.306 0.085 25515 5047 1 10 . 1 1 12 12 SER C C 12 176.856 176.856 175.525 1.331 25515 5048 1 10 . 1 1 12 12 SER CA C 12 58.537 58.537 59.234 -0.697 25515 5049 1 10 . 1 1 12 12 SER CB C 12 63.915 63.915 62.967 0.948 25515 5050 1 10 . 1 1 12 12 SER H H 12 8.171 8.171 8.925 -0.754 25515 5051 1 10 . 1 1 13 13 GLY N N 13 111.544 111.544 108.112 3.432 25515 5052 1 10 . 1 1 13 13 GLY C C 13 178.243 178.243 173.403 4.840 25515 5053 1 10 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.707 0.773 25515 5054 1 10 . 1 1 13 13 GLY H H 13 8.381 8.381 7.870 0.511 25515 5055 1 10 . 1 1 14 14 GLU N N 14 119.223 119.223 121.360 -2.137 25515 5056 1 10 . 1 1 14 14 GLU HA H 14 4.440 4.440 5.039 -0.599 25515 5057 1 10 . 1 1 14 14 GLU C C 14 174.876 174.876 175.760 -0.884 25515 5058 1 10 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.256 1.168 25515 5059 1 10 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.791 -0.812 25515 5060 1 10 . 1 1 14 14 GLU H H 14 8.149 8.149 7.989 0.160 25515 5061 1 10 . 1 1 15 15 SER N N 15 117.752 117.752 117.933 -0.181 25515 5062 1 10 . 1 1 15 15 SER H H 15 8.437 8.437 9.123 -0.686 25515 5063 1 10 . 1 1 16 16 LEU N N 16 121.072 121.072 122.538 -1.466 25515 5064 1 10 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.123 -0.262 25515 5065 1 10 . 1 1 16 16 LEU C C 16 174.423 174.423 178.955 -4.532 25515 5066 1 10 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.499 -0.074 25515 5067 1 10 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.118 0.558 25515 5068 1 10 . 1 1 16 16 LEU H H 16 8.233 8.233 8.279 -0.046 25515 5069 1 10 . 1 1 17 17 TYR N N 17 111.961 111.961 116.355 -4.394 25515 5070 1 10 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.052 -0.390 25515 5071 1 10 . 1 1 17 17 TYR C C 17 173.256 173.256 178.044 -4.788 25515 5072 1 10 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.435 -0.569 25515 5073 1 10 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.639 -0.232 25515 5074 1 10 . 1 1 17 17 TYR H H 17 6.929 6.929 7.966 -1.037 25515 5075 1 10 . 1 1 18 18 HIS N N 18 119.254 119.254 115.886 3.368 25515 5076 1 10 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.337 0.102 25515 5077 1 10 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.172 -0.258 25515 5078 1 10 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.123 -0.508 25515 5079 1 10 . 1 1 18 18 HIS H H 18 7.672 7.672 8.273 -0.601 25515 5080 1 10 . 1 1 19 19 VAL N N 19 120.746 120.746 118.125 2.621 25515 5081 1 10 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.881 -0.176 25515 5082 1 10 . 1 1 19 19 VAL C C 19 175.643 175.643 177.096 -1.453 25515 5083 1 10 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.531 0.002 25515 5084 1 10 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.375 0.090 25515 5085 1 10 . 1 1 19 19 VAL H H 19 7.883 7.883 7.568 0.315 25515 5086 1 10 . 1 1 20 20 LEU N N 20 114.576 114.576 117.227 -2.651 25515 5087 1 10 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.308 0.053 25515 5088 1 10 . 1 1 20 20 LEU C C 20 175.746 175.746 177.208 -1.462 25515 5089 1 10 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.158 -1.877 25515 5090 1 10 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.483 0.417 25515 5091 1 10 . 1 1 20 20 LEU H H 20 6.626 6.626 7.467 -0.841 25515 5092 1 10 . 1 1 21 21 GLY N N 21 109.239 109.239 106.844 2.395 25515 5093 1 10 . 1 1 21 21 GLY C C 21 177.637 177.637 174.771 2.866 25515 5094 1 10 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.767 0.516 25515 5095 1 10 . 1 1 21 21 GLY H H 21 7.991 7.991 7.557 0.434 25515 5096 1 10 . 1 1 22 22 LEU N N 22 119.495 119.495 117.251 2.244 25515 5097 1 10 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.915 -0.148 25515 5098 1 10 . 1 1 22 22 LEU C C 22 177.306 177.306 176.013 1.293 25515 5099 1 10 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.211 -0.329 25515 5100 1 10 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.331 2.576 25515 5101 1 10 . 1 1 22 22 LEU H H 22 7.765 7.765 7.513 0.252 25515 5102 1 10 . 1 1 23 23 ASP N N 23 118.518 118.518 118.436 0.082 25515 5103 1 10 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.822 -0.233 25515 5104 1 10 . 1 1 23 23 ASP C C 23 176.597 176.597 177.638 -1.041 25515 5105 1 10 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.645 -1.614 25515 5106 1 10 . 1 1 23 23 ASP CB C 23 43.481 43.481 41.732 1.749 25515 5107 1 10 . 1 1 23 23 ASP H H 23 7.977 7.977 8.439 -0.462 25515 5108 1 10 . 1 1 24 24 LYS N N 24 115.499 115.499 117.604 -2.105 25515 5109 1 10 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.248 -1.096 25515 5110 1 10 . 1 1 24 24 LYS C C 24 176.231 176.231 175.723 0.508 25515 5111 1 10 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.207 -0.140 25515 5112 1 10 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.136 1.226 25515 5113 1 10 . 1 1 24 24 LYS H H 24 7.811 7.811 8.515 -0.704 25515 5114 1 10 . 1 1 25 25 ASN N N 25 115.622 115.622 115.526 0.096 25515 5115 1 10 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.851 -0.326 25515 5116 1 10 . 1 1 25 25 ASN C C 25 176.698 176.698 174.811 1.887 25515 5117 1 10 . 1 1 25 25 ASN CA C 25 52.873 52.873 53.019 -0.146 25515 5118 1 10 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.857 -0.783 25515 5119 1 10 . 1 1 25 25 ASN H H 25 7.817 7.817 7.864 -0.047 25515 5120 1 10 . 1 1 26 26 ALA N N 26 122.970 122.970 124.274 -1.304 25515 5121 1 10 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.317 0.042 25515 5122 1 10 . 1 1 26 26 ALA C C 26 173.847 173.847 176.465 -2.618 25515 5123 1 10 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.238 0.679 25515 5124 1 10 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.629 1.338 25515 5125 1 10 . 1 1 26 26 ALA H H 26 7.646 7.646 7.459 0.187 25515 5126 1 10 . 1 1 27 27 THR N N 27 113.252 113.252 115.510 -2.258 25515 5127 1 10 . 1 1 27 27 THR HA H 27 4.657 4.657 4.545 0.112 25515 5128 1 10 . 1 1 27 27 THR C C 27 175.986 175.986 176.024 -0.038 25515 5129 1 10 . 1 1 27 27 THR CA C 27 60.427 60.427 59.583 0.844 25515 5130 1 10 . 1 1 27 27 THR CB C 27 71.702 71.702 70.853 0.849 25515 5131 1 10 . 1 1 27 27 THR H H 27 9.089 9.089 8.194 0.895 25515 5132 1 10 . 1 1 28 28 SER N N 28 115.961 115.961 117.514 -1.553 25515 5133 1 10 . 1 1 28 28 SER HA H 28 3.930 3.930 4.062 -0.132 25515 5134 1 10 . 1 1 28 28 SER C C 28 175.440 175.440 175.964 -0.524 25515 5135 1 10 . 1 1 28 28 SER CA C 28 62.515 62.515 62.948 -0.433 25515 5136 1 10 . 1 1 28 28 SER CB C 28 62.713 62.713 62.985 -0.272 25515 5137 1 10 . 1 1 28 28 SER H H 28 9.095 9.095 8.825 0.270 25515 5138 1 10 . 1 1 29 29 ASP N N 29 119.797 119.797 120.792 -0.995 25515 5139 1 10 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.475 -0.072 25515 5140 1 10 . 1 1 29 29 ASP C C 29 173.862 173.862 178.197 -4.335 25515 5141 1 10 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.641 0.142 25515 5142 1 10 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.474 0.577 25515 5143 1 10 . 1 1 29 29 ASP H H 29 8.122 8.122 8.354 -0.232 25515 5144 1 10 . 1 1 30 30 ASP N N 30 120.847 120.847 120.757 0.090 25515 5145 1 10 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.512 -0.165 25515 5146 1 10 . 1 1 30 30 ASP C C 30 172.627 172.627 178.962 -6.335 25515 5147 1 10 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.382 0.307 25515 5148 1 10 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.983 -0.001 25515 5149 1 10 . 1 1 30 30 ASP H H 30 7.851 7.851 7.757 0.094 25515 5150 1 10 . 1 1 31 31 ILE N N 31 121.776 121.776 120.900 0.876 25515 5151 1 10 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.702 -0.186 25515 5152 1 10 . 1 1 31 31 ILE C C 31 174.709 174.709 178.192 -3.483 25515 5153 1 10 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.412 0.074 25515 5154 1 10 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.876 0.365 25515 5155 1 10 . 1 1 31 31 ILE H H 31 8.122 8.122 8.218 -0.096 25515 5156 1 10 . 1 1 32 32 LYS N N 32 119.510 119.510 120.399 -0.889 25515 5157 1 10 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.428 -0.351 25515 5158 1 10 . 1 1 32 32 LYS C C 32 172.959 172.959 179.378 -6.419 25515 5159 1 10 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.584 2.251 25515 5160 1 10 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.027 0.477 25515 5161 1 10 . 1 1 32 32 LYS H H 32 8.172 8.172 8.152 0.020 25515 5162 1 10 . 1 1 33 33 LYS N N 33 119.042 119.042 120.159 -1.117 25515 5163 1 10 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.099 -0.131 25515 5164 1 10 . 1 1 33 33 LYS C C 33 172.323 172.323 179.179 -6.856 25515 5165 1 10 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.740 0.266 25515 5166 1 10 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.223 0.490 25515 5167 1 10 . 1 1 33 33 LYS H H 33 8.342 8.342 8.164 0.178 25515 5168 1 10 . 1 1 34 34 SER N N 34 115.060 115.060 115.225 -0.165 25515 5169 1 10 . 1 1 34 34 SER HA H 34 4.260 4.260 4.215 0.045 25515 5170 1 10 . 1 1 34 34 SER C C 34 175.503 175.503 176.218 -0.715 25515 5171 1 10 . 1 1 34 34 SER CA C 34 61.734 61.734 61.483 0.251 25515 5172 1 10 . 1 1 34 34 SER CB C 34 63.088 63.088 62.988 0.100 25515 5173 1 10 . 1 1 34 34 SER H H 34 8.161 8.161 8.374 -0.213 25515 5174 1 10 . 1 1 35 35 TYR N N 35 119.241 119.241 123.465 -4.224 25515 5175 1 10 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.178 -0.304 25515 5176 1 10 . 1 1 35 35 TYR C C 35 176.352 176.352 177.421 -1.069 25515 5177 1 10 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.705 0.164 25515 5178 1 10 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.285 0.505 25515 5179 1 10 . 1 1 35 35 TYR H H 35 8.499 8.499 7.997 0.502 25515 5180 1 10 . 1 1 36 36 ARG N N 36 116.674 116.674 117.807 -1.133 25515 5181 1 10 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.519 -0.066 25515 5182 1 10 . 1 1 36 36 ARG C C 36 173.135 173.135 178.675 -5.540 25515 5183 1 10 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.374 1.236 25515 5184 1 10 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.221 0.658 25515 5185 1 10 . 1 1 36 36 ARG H H 36 7.967 7.967 7.962 0.005 25515 5186 1 10 . 1 1 37 37 LYS N N 37 116.974 116.974 119.256 -2.282 25515 5187 1 10 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.994 -0.024 25515 5188 1 10 . 1 1 37 37 LYS C C 37 172.489 172.489 179.675 -7.186 25515 5189 1 10 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.384 -0.007 25515 5190 1 10 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.233 0.523 25515 5191 1 10 . 1 1 37 37 LYS H H 37 7.275 7.275 8.104 -0.829 25515 5192 1 10 . 1 1 38 38 LEU N N 38 120.978 120.978 118.667 2.311 25515 5193 1 10 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.340 -0.317 25515 5194 1 10 . 1 1 38 38 LEU C C 38 173.557 173.557 178.379 -4.822 25515 5195 1 10 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.586 0.818 25515 5196 1 10 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.194 0.174 25515 5197 1 10 . 1 1 38 38 LEU H H 38 8.268 8.268 7.648 0.620 25515 5198 1 10 . 1 1 39 39 ALA N N 39 122.700 122.700 123.191 -0.491 25515 5199 1 10 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.893 -0.008 25515 5200 1 10 . 1 1 39 39 ALA C C 39 172.721 172.721 178.931 -6.210 25515 5201 1 10 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.358 0.081 25515 5202 1 10 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.212 -1.262 25515 5203 1 10 . 1 1 39 39 ALA H H 39 9.043 9.043 8.347 0.696 25515 5204 1 10 . 1 1 40 40 LEU N N 40 114.462 114.462 114.100 0.362 25515 5205 1 10 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.946 0.086 25515 5206 1 10 . 1 1 40 40 LEU C C 40 173.110 173.110 179.168 -6.058 25515 5207 1 10 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.641 0.668 25515 5208 1 10 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.067 1.967 25515 5209 1 10 . 1 1 40 40 LEU H H 40 6.862 6.862 7.473 -0.611 25515 5210 1 10 . 1 1 41 41 LYS N N 41 118.126 118.126 121.900 -3.774 25515 5211 1 10 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.835 0.007 25515 5212 1 10 . 1 1 41 41 LYS C C 41 173.695 173.695 177.698 -4.003 25515 5213 1 10 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.984 -0.242 25515 5214 1 10 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.452 0.535 25515 5215 1 10 . 1 1 41 41 LYS H H 41 7.135 7.135 7.635 -0.499 25515 5216 1 10 . 1 1 42 42 TYR N N 42 113.902 113.902 114.438 -0.536 25515 5217 1 10 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.604 -0.114 25515 5218 1 10 . 1 1 42 42 TYR C C 42 178.884 178.884 174.481 4.403 25515 5219 1 10 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.719 1.294 25515 5220 1 10 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.144 0.366 25515 5221 1 10 . 1 1 42 42 TYR H H 42 7.756 7.756 7.966 -0.210 25515 5222 1 10 . 1 1 43 43 HIS N N 43 120.909 120.909 122.522 -1.613 25515 5223 1 10 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.098 -0.626 25515 5224 1 10 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.001 0.898 25515 5225 1 10 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.258 -0.133 25515 5226 1 10 . 1 1 43 43 HIS H H 43 7.134 7.134 7.499 -0.365 25515 5227 1 10 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.121 -0.123 25515 5228 1 10 . 1 1 44 44 PRO C C 44 172.774 172.774 178.096 -5.322 25515 5229 1 10 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.776 -0.171 25515 5230 1 10 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.641 -0.031 25515 5231 1 10 . 1 1 45 45 ASP N N 45 121.379 121.379 115.685 5.694 25515 5232 1 10 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.510 -0.153 25515 5233 1 10 . 1 1 45 45 ASP C C 45 173.968 173.968 176.921 -2.953 25515 5234 1 10 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.747 2.024 25515 5235 1 10 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.668 -0.545 25515 5236 1 10 . 1 1 45 45 ASP H H 45 10.727 10.727 8.348 2.379 25515 5237 1 10 . 1 1 46 46 LYS N N 46 115.902 115.902 117.914 -2.012 25515 5238 1 10 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.317 0.041 25515 5239 1 10 . 1 1 46 46 LYS C C 46 176.450 176.450 176.596 -0.146 25515 5240 1 10 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.299 -1.525 25515 5241 1 10 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.112 1.077 25515 5242 1 10 . 1 1 46 46 LYS H H 46 7.475 7.475 8.040 -0.565 25515 5243 1 10 . 1 1 47 47 ASN N N 47 117.709 117.709 119.375 -1.666 25515 5244 1 10 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.006 0.144 25515 5245 1 10 . 1 1 47 47 ASN C C 47 170.657 170.657 173.929 -3.272 25515 5246 1 10 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.330 0.210 25515 5247 1 10 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.454 2.102 25515 5248 1 10 . 1 1 47 47 ASN H H 47 7.410 7.410 7.423 -0.013 25515 5249 1 10 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.614 -0.248 25515 5250 1 10 . 1 1 48 48 PRO C C 48 174.739 174.739 176.236 -1.497 25515 5251 1 10 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.281 1.831 25515 5252 1 10 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.614 -1.090 25515 5253 1 10 . 1 1 49 49 ASP N N 49 117.619 117.619 117.053 0.566 25515 5254 1 10 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.506 -0.129 25515 5255 1 10 . 1 1 49 49 ASP C C 49 177.335 177.335 176.115 1.220 25515 5256 1 10 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.114 -0.529 25515 5257 1 10 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.985 -0.731 25515 5258 1 10 . 1 1 49 49 ASP H H 49 8.679 8.679 8.308 0.371 25515 5259 1 10 . 1 1 50 50 ASN N N 50 114.537 114.537 118.270 -3.733 25515 5260 1 10 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.759 0.441 25515 5261 1 10 . 1 1 50 50 ASN C C 50 178.245 178.245 174.274 3.971 25515 5262 1 10 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.938 -1.803 25515 5263 1 10 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.701 0.875 25515 5264 1 10 . 1 1 50 50 ASN H H 50 7.341 7.341 8.212 -0.871 25515 5265 1 10 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.523 -0.159 25515 5266 1 10 . 1 1 51 51 PRO C C 51 173.714 173.714 177.722 -4.008 25515 5267 1 10 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.221 1.397 25515 5268 1 10 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.908 0.193 25515 5269 1 10 . 1 1 52 52 GLU N N 52 118.597 118.597 121.446 -2.849 25515 5270 1 10 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.057 0.131 25515 5271 1 10 . 1 1 52 52 GLU C C 52 173.216 173.216 177.843 -4.627 25515 5272 1 10 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.379 -1.429 25515 5273 1 10 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.361 -0.162 25515 5274 1 10 . 1 1 52 52 GLU H H 52 8.048 8.048 8.729 -0.681 25515 5275 1 10 . 1 1 53 53 ALA N N 53 122.149 122.149 121.005 1.144 25515 5276 1 10 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.346 -0.371 25515 5277 1 10 . 1 1 53 53 ALA C C 53 173.485 173.485 179.414 -5.929 25515 5278 1 10 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.959 0.112 25515 5279 1 10 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.174 -0.397 25515 5280 1 10 . 1 1 53 53 ALA H H 53 7.606 7.606 8.287 -0.681 25515 5281 1 10 . 1 1 54 54 ALA N N 54 119.475 119.475 121.335 -1.860 25515 5282 1 10 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.166 0.061 25515 5283 1 10 . 1 1 54 54 ALA C C 54 171.125 171.125 179.388 -8.263 25515 5284 1 10 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.862 0.309 25515 5285 1 10 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.585 -0.738 25515 5286 1 10 . 1 1 54 54 ALA H H 54 7.680 7.680 8.124 -0.444 25515 5287 1 10 . 1 1 55 55 ASP N N 55 120.134 120.134 119.055 1.079 25515 5288 1 10 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.378 0.043 25515 5289 1 10 . 1 1 55 55 ASP C C 55 173.088 173.088 178.619 -5.531 25515 5290 1 10 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.564 -0.158 25515 5291 1 10 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.954 -0.625 25515 5292 1 10 . 1 1 55 55 ASP H H 55 7.983 7.983 8.424 -0.441 25515 5293 1 10 . 1 1 56 56 LYS N N 56 120.915 120.915 120.015 0.900 25515 5294 1 10 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.904 0.006 25515 5295 1 10 . 1 1 56 56 LYS C C 56 173.210 173.210 178.805 -5.595 25515 5296 1 10 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.893 -0.412 25515 5297 1 10 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.715 -0.807 25515 5298 1 10 . 1 1 56 56 LYS H H 56 7.758 7.758 7.893 -0.135 25515 5299 1 10 . 1 1 57 57 PHE N N 57 120.024 120.024 120.015 0.009 25515 5300 1 10 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.133 -0.128 25515 5301 1 10 . 1 1 57 57 PHE C C 57 174.430 174.430 177.271 -2.841 25515 5302 1 10 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.657 1.883 25515 5303 1 10 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.567 0.521 25515 5304 1 10 . 1 1 57 57 PHE H H 57 8.861 8.861 8.679 0.182 25515 5305 1 10 . 1 1 58 58 LYS N N 58 119.306 119.306 119.851 -0.545 25515 5306 1 10 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.657 0.296 25515 5307 1 10 . 1 1 58 58 LYS C C 58 172.875 172.875 178.580 -5.705 25515 5308 1 10 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.990 -0.130 25515 5309 1 10 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.333 -0.024 25515 5310 1 10 . 1 1 58 58 LYS H H 58 7.846 7.846 8.172 -0.326 25515 5311 1 10 . 1 1 59 59 GLU N N 59 119.732 119.732 118.369 1.363 25515 5312 1 10 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.112 -0.064 25515 5313 1 10 . 1 1 59 59 GLU C C 59 171.935 171.935 179.076 -7.141 25515 5314 1 10 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.003 0.470 25515 5315 1 10 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.258 0.569 25515 5316 1 10 . 1 1 59 59 GLU H H 59 7.732 7.732 8.103 -0.371 25515 5317 1 10 . 1 1 60 60 ILE N N 60 119.074 119.074 121.699 -2.625 25515 5318 1 10 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.684 0.004 25515 5319 1 10 . 1 1 60 60 ILE C C 60 174.424 174.424 178.297 -3.873 25515 5320 1 10 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.107 -0.833 25515 5321 1 10 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.850 0.597 25515 5322 1 10 . 1 1 60 60 ILE H H 60 8.429 8.429 8.680 -0.251 25515 5323 1 10 . 1 1 61 61 ASN N N 61 120.038 120.038 117.260 2.778 25515 5324 1 10 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.381 -0.080 25515 5325 1 10 . 1 1 61 61 ASN C C 61 174.271 174.271 177.521 -3.250 25515 5326 1 10 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.877 0.679 25515 5327 1 10 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.255 0.028 25515 5328 1 10 . 1 1 61 61 ASN H H 61 8.025 8.025 8.566 -0.541 25515 5329 1 10 . 1 1 62 62 ASN N N 62 119.502 119.502 119.150 0.352 25515 5330 1 10 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.390 -0.080 25515 5331 1 10 . 1 1 62 62 ASN C C 62 176.042 176.042 177.002 -0.960 25515 5332 1 10 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.600 -0.052 25515 5333 1 10 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.601 0.120 25515 5334 1 10 . 1 1 62 62 ASN H H 62 8.042 8.042 7.965 0.077 25515 5335 1 10 . 1 1 63 63 ALA N N 63 119.769 119.769 122.532 -2.763 25515 5336 1 10 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.805 -0.119 25515 5337 1 10 . 1 1 63 63 ALA C C 63 173.564 173.564 179.117 -5.553 25515 5338 1 10 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.861 0.679 25515 5339 1 10 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.814 0.692 25515 5340 1 10 . 1 1 63 63 ALA H H 63 7.944 7.944 8.488 -0.544 25515 5341 1 10 . 1 1 64 64 HIS N N 64 115.292 115.292 118.554 -3.262 25515 5342 1 10 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.153 -0.626 25515 5343 1 10 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.262 1.122 25515 5344 1 10 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.528 0.407 25515 5345 1 10 . 1 1 64 64 HIS H H 64 8.055 8.055 8.325 -0.270 25515 5346 1 10 . 1 1 65 65 ALA N N 65 122.093 122.093 120.866 1.227 25515 5347 1 10 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.981 -0.475 25515 5348 1 10 . 1 1 65 65 ALA C C 65 172.454 172.454 179.215 -6.761 25515 5349 1 10 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.587 1.403 25515 5350 1 10 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.818 -1.680 25515 5351 1 10 . 1 1 65 65 ALA H H 65 7.944 7.944 7.514 0.430 25515 5352 1 10 . 1 1 66 66 ILE N N 66 115.954 115.954 119.235 -3.281 25515 5353 1 10 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.565 -0.107 25515 5354 1 10 . 1 1 66 66 ILE C C 66 175.394 175.394 177.752 -2.358 25515 5355 1 10 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.561 0.047 25515 5356 1 10 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.651 1.338 25515 5357 1 10 . 1 1 66 66 ILE H H 66 7.358 7.358 7.669 -0.311 25515 5358 1 10 . 1 1 67 67 LEU N N 67 111.268 111.268 114.922 -3.654 25515 5359 1 10 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.947 -0.272 25515 5360 1 10 . 1 1 67 67 LEU C C 67 174.490 174.490 179.211 -4.721 25515 5361 1 10 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.755 -0.188 25515 5362 1 10 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.261 1.793 25515 5363 1 10 . 1 1 67 67 LEU H H 67 7.743 7.743 7.668 0.075 25515 5364 1 10 . 1 1 68 68 THR N N 68 103.399 103.399 111.751 -8.352 25515 5365 1 10 . 1 1 68 68 THR HA H 68 4.023 4.023 4.219 -0.196 25515 5366 1 10 . 1 1 68 68 THR C C 68 178.796 178.796 173.912 4.884 25515 5367 1 10 . 1 1 68 68 THR CA C 68 61.672 61.672 62.944 -1.272 25515 5368 1 10 . 1 1 68 68 THR CB C 68 69.052 69.052 68.799 0.254 25515 5369 1 10 . 1 1 68 68 THR H H 68 7.104 7.104 7.395 -0.291 25515 5370 1 10 . 1 1 69 69 ASP N N 69 125.057 125.057 121.908 3.149 25515 5371 1 10 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.645 0.056 25515 5372 1 10 . 1 1 69 69 ASP C C 69 177.204 177.204 175.953 1.251 25515 5373 1 10 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.221 -0.462 25515 5374 1 10 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.918 -0.167 25515 5375 1 10 . 1 1 69 69 ASP H H 69 7.076 7.076 7.539 -0.463 25515 5376 1 10 . 1 1 70 70 ALA N N 70 128.178 128.178 129.983 -1.805 25515 5377 1 10 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.051 -0.154 25515 5378 1 10 . 1 1 70 70 ALA C C 70 171.909 171.909 178.923 -7.014 25515 5379 1 10 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.080 0.746 25515 5380 1 10 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.815 -0.341 25515 5381 1 10 . 1 1 70 70 ALA H H 70 8.761 8.761 8.805 -0.044 25515 5382 1 10 . 1 1 71 71 THR N N 71 113.629 113.629 115.284 -1.655 25515 5383 1 10 . 1 1 71 71 THR HA H 71 3.981 3.981 4.072 -0.091 25515 5384 1 10 . 1 1 71 71 THR C C 71 175.038 175.038 176.638 -1.600 25515 5385 1 10 . 1 1 71 71 THR CA C 71 66.164 66.164 66.069 0.095 25515 5386 1 10 . 1 1 71 71 THR CB C 71 68.319 68.319 68.955 -0.636 25515 5387 1 10 . 1 1 71 71 THR H H 71 7.957 7.957 7.894 0.063 25515 5388 1 10 . 1 1 72 72 LYS N N 72 122.501 122.501 121.102 1.399 25515 5389 1 10 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.102 -0.292 25515 5390 1 10 . 1 1 72 72 LYS C C 72 173.814 173.814 179.159 -5.345 25515 5391 1 10 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.528 0.763 25515 5392 1 10 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.231 0.575 25515 5393 1 10 . 1 1 72 72 LYS H H 72 8.309 8.309 9.008 -0.699 25515 5394 1 10 . 1 1 73 73 ARG N N 73 120.595 120.595 117.273 3.322 25515 5395 1 10 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.211 -0.608 25515 5396 1 10 . 1 1 73 73 ARG C C 73 174.477 174.477 177.948 -3.471 25515 5397 1 10 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.557 2.272 25515 5398 1 10 . 1 1 73 73 ARG H H 73 9.258 9.258 7.959 1.299 25515 5399 1 10 . 1 1 74 74 ASN N N 74 115.425 115.425 120.123 -4.698 25515 5400 1 10 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.544 -0.113 25515 5401 1 10 . 1 1 74 74 ASN C C 74 174.296 174.296 177.812 -3.516 25515 5402 1 10 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.608 0.101 25515 5403 1 10 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.522 0.208 25515 5404 1 10 . 1 1 74 74 ASN H H 74 7.534 7.534 7.664 -0.130 25515 5405 1 10 . 1 1 75 75 ILE N N 75 119.020 119.020 118.778 0.242 25515 5406 1 10 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.859 -0.226 25515 5407 1 10 . 1 1 75 75 ILE C C 75 174.667 174.667 177.327 -2.660 25515 5408 1 10 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.320 1.185 25515 5409 1 10 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.401 1.824 25515 5410 1 10 . 1 1 75 75 ILE H H 75 7.656 7.656 8.179 -0.523 25515 5411 1 10 . 1 1 76 76 TYR N N 76 121.913 121.913 122.193 -0.280 25515 5412 1 10 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.027 -0.012 25515 5413 1 10 . 1 1 76 76 TYR C C 76 173.323 173.323 177.356 -4.033 25515 5414 1 10 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.938 -0.391 25515 5415 1 10 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.236 0.517 25515 5416 1 10 . 1 1 76 76 TYR H H 76 8.894 8.894 7.835 1.059 25515 5417 1 10 . 1 1 77 77 ASP N N 77 120.151 120.151 117.358 2.793 25515 5418 1 10 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.247 0.090 25515 5419 1 10 . 1 1 77 77 ASP C C 77 174.321 174.321 177.731 -3.410 25515 5420 1 10 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.781 1.138 25515 5421 1 10 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.165 -1.180 25515 5422 1 10 . 1 1 77 77 ASP H H 77 9.151 9.151 7.992 1.159 25515 5423 1 10 . 1 1 78 78 LYS N N 78 117.659 117.659 119.223 -1.564 25515 5424 1 10 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.040 -0.113 25515 5425 1 10 . 1 1 78 78 LYS C C 78 174.237 174.237 177.428 -3.191 25515 5426 1 10 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.595 -0.182 25515 5427 1 10 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.003 0.639 25515 5428 1 10 . 1 1 78 78 LYS H H 78 7.378 7.378 8.143 -0.765 25515 5429 1 10 . 1 1 79 79 TYR N N 79 115.151 115.151 115.022 0.129 25515 5430 1 10 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.558 0.063 25515 5431 1 10 . 1 1 79 79 TYR C C 79 175.424 175.424 177.279 -1.855 25515 5432 1 10 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.389 -2.817 25515 5433 1 10 . 1 1 79 79 TYR H H 79 8.505 8.505 8.422 0.083 25515 5434 1 10 . 1 1 80 80 GLY N N 80 110.813 110.813 106.787 4.026 25515 5435 1 10 . 1 1 80 80 GLY C C 80 177.481 177.481 175.011 2.470 25515 5436 1 10 . 1 1 80 80 GLY CA C 80 45.545 45.545 45.864 -0.319 25515 5437 1 10 . 1 1 80 80 GLY H H 80 8.222 8.222 8.425 -0.203 25515 5438 1 10 . 1 1 81 81 SER N N 81 117.578 117.578 115.982 1.596 25515 5439 1 10 . 1 1 81 81 SER C C 81 174.532 174.532 176.513 -1.981 25515 5440 1 10 . 1 1 81 81 SER CA C 81 61.579 61.579 59.749 1.830 25515 5441 1 10 . 1 1 81 81 SER H H 81 8.883 8.883 8.371 0.512 25515 5442 1 10 . 1 1 82 82 LEU N N 82 123.998 123.998 120.367 3.631 25515 5443 1 10 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.480 -0.209 25515 5444 1 10 . 1 1 82 82 LEU C C 82 173.400 173.400 178.590 -5.190 25515 5445 1 10 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.934 0.998 25515 5446 1 10 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.655 -0.268 25515 5447 1 10 . 1 1 82 82 LEU H H 82 8.920 8.920 8.241 0.679 25515 5448 1 10 . 1 1 83 83 GLY N N 83 105.677 105.677 107.564 -1.887 25515 5449 1 10 . 1 1 83 83 GLY C C 83 177.230 177.230 176.446 0.784 25515 5450 1 10 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.574 0.074 25515 5451 1 10 . 1 1 83 83 GLY H H 83 7.565 7.565 8.657 -1.092 25515 5452 1 10 . 1 1 84 84 LEU N N 84 119.542 119.542 121.629 -2.087 25515 5453 1 10 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.243 -0.184 25515 5454 1 10 . 1 1 84 84 LEU C C 84 173.036 173.036 177.846 -4.810 25515 5455 1 10 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.819 0.614 25515 5456 1 10 . 1 1 84 84 LEU H H 84 7.495 7.495 7.762 -0.267 25515 5457 1 10 . 1 1 85 85 TYR N N 85 121.424 121.424 118.083 3.341 25515 5458 1 10 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.316 -0.058 25515 5459 1 10 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.490 0.480 25515 5460 1 10 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.691 -0.383 25515 5461 1 10 . 1 1 85 85 TYR H H 85 7.894 7.894 7.807 0.087 25515 5462 1 10 . 1 1 86 86 VAL N N 86 120.088 120.088 120.601 -0.513 25515 5463 1 10 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.427 -0.151 25515 5464 1 10 . 1 1 86 86 VAL C C 86 174.300 174.300 177.041 -2.741 25515 5465 1 10 . 1 1 86 86 VAL CA C 86 66.309 66.309 63.286 3.023 25515 5466 1 10 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.329 0.345 25515 5467 1 10 . 1 1 86 86 VAL H H 86 8.402 8.402 8.156 0.246 25515 5468 1 10 . 1 1 87 87 ALA N N 87 121.800 121.800 122.771 -0.971 25515 5469 1 10 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.076 -0.339 25515 5470 1 10 . 1 1 87 87 ALA C C 87 172.312 172.312 178.807 -6.495 25515 5471 1 10 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.846 -1.403 25515 5472 1 10 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.469 -0.068 25515 5473 1 10 . 1 1 87 87 ALA H H 87 8.317 8.317 7.847 0.470 25515 5474 1 10 . 1 1 88 88 GLU N N 88 118.012 118.012 116.058 1.954 25515 5475 1 10 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.186 -0.311 25515 5476 1 10 . 1 1 88 88 GLU C C 88 174.071 174.071 178.416 -4.345 25515 5477 1 10 . 1 1 88 88 GLU CA C 88 58.766 58.766 57.890 0.876 25515 5478 1 10 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.275 0.274 25515 5479 1 10 . 1 1 88 88 GLU H H 88 7.777 7.777 8.060 -0.283 25515 5480 1 10 . 1 1 89 89 GLN N N 89 116.164 116.164 117.251 -1.087 25515 5481 1 10 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.102 -0.391 25515 5482 1 10 . 1 1 89 89 GLN C C 89 174.572 174.572 177.202 -2.630 25515 5483 1 10 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.926 -0.881 25515 5484 1 10 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.648 -0.984 25515 5485 1 10 . 1 1 89 89 GLN H H 89 7.704 7.704 7.586 0.118 25515 5486 1 10 . 1 1 90 90 PHE N N 90 114.734 114.734 115.842 -1.108 25515 5487 1 10 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.655 0.055 25515 5488 1 10 . 1 1 90 90 PHE C C 90 175.715 175.715 175.371 0.344 25515 5489 1 10 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.029 -1.623 25515 5490 1 10 . 1 1 90 90 PHE CB C 90 40.203 40.203 41.108 -0.904 25515 5491 1 10 . 1 1 90 90 PHE H H 90 8.241 8.241 8.421 -0.180 25515 5492 1 10 . 1 1 91 91 GLY N N 91 111.234 111.234 107.901 3.333 25515 5493 1 10 . 1 1 91 91 GLY C C 91 176.788 176.788 174.533 2.255 25515 5494 1 10 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.794 0.376 25515 5495 1 10 . 1 1 91 91 GLY H H 91 7.668 7.668 7.526 0.142 25515 5496 1 10 . 1 1 92 92 GLU N N 92 123.392 123.392 124.337 -0.945 25515 5497 1 10 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.950 -0.108 25515 5498 1 10 . 1 1 92 92 GLU C C 92 174.798 174.798 177.956 -3.158 25515 5499 1 10 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.202 0.056 25515 5500 1 10 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.354 0.264 25515 5501 1 10 . 1 1 92 92 GLU H H 92 8.793 8.793 8.853 -0.060 25515 5502 1 10 . 1 1 93 93 GLU N N 93 118.621 118.621 116.848 1.773 25515 5503 1 10 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.138 0.047 25515 5504 1 10 . 1 1 93 93 GLU C C 93 175.143 175.143 176.983 -1.840 25515 5505 1 10 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.238 -0.353 25515 5506 1 10 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.985 0.082 25515 5507 1 10 . 1 1 93 93 GLU H H 93 9.356 9.356 8.735 0.621 25515 5508 1 10 . 1 1 94 94 ASN N N 94 116.563 116.563 117.857 -1.294 25515 5509 1 10 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.866 0.045 25515 5510 1 10 . 1 1 94 94 ASN C C 94 176.192 176.192 177.725 -1.533 25515 5511 1 10 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.487 -1.176 25515 5512 1 10 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.827 -0.083 25515 5513 1 10 . 1 1 94 94 ASN H H 94 7.881 7.881 7.881 -0.000 25515 5514 1 10 . 1 1 95 95 VAL N N 95 119.858 119.858 119.601 0.257 25515 5515 1 10 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.825 -0.085 25515 5516 1 10 . 1 1 95 95 VAL C C 95 175.715 175.715 177.278 -1.563 25515 5517 1 10 . 1 1 95 95 VAL CA C 95 65.498 65.498 67.206 -1.708 25515 5518 1 10 . 1 1 95 95 VAL CB C 95 31.966 31.966 30.867 1.099 25515 5519 1 10 . 1 1 95 95 VAL H H 95 7.405 7.405 8.727 -1.322 25515 5520 1 10 . 1 1 96 96 ASN N N 96 116.409 116.409 117.248 -0.839 25515 5521 1 10 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.605 -0.147 25515 5522 1 10 . 1 1 96 96 ASN C C 96 175.322 175.322 176.728 -1.406 25515 5523 1 10 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.656 0.062 25515 5524 1 10 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.325 -0.109 25515 5525 1 10 . 1 1 96 96 ASN H H 96 8.356 8.356 8.191 0.165 25515 5526 1 10 . 1 1 97 97 THR N N 97 111.266 111.266 113.323 -2.057 25515 5527 1 10 . 1 1 97 97 THR HA H 97 3.993 3.993 4.049 -0.056 25515 5528 1 10 . 1 1 97 97 THR C C 97 177.418 177.418 175.649 1.769 25515 5529 1 10 . 1 1 97 97 THR CA C 97 63.604 63.604 65.265 -1.661 25515 5530 1 10 . 1 1 97 97 THR CB C 97 69.162 69.162 68.864 0.298 25515 5531 1 10 . 1 1 97 97 THR H H 97 7.575 7.575 8.160 -0.585 25515 5532 1 10 . 1 1 98 98 TYR N N 98 119.963 119.963 118.072 1.891 25515 5533 1 10 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.292 0.030 25515 5534 1 10 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.105 -0.907 25515 5535 1 10 . 1 1 98 98 TYR CB C 98 39.244 39.244 38.970 0.274 25515 5536 1 10 . 1 1 98 98 TYR H H 98 7.480 7.480 7.937 -0.457 25515 5537 1 10 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.536 0.024 25515 5538 1 10 . 1 1 99 99 PHE C C 99 177.317 177.317 175.585 1.732 25515 5539 1 10 . 1 1 99 99 PHE CA C 99 57.993 57.993 56.889 1.104 25515 5540 1 10 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.388 0.254 25515 5541 1 11 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.404 -0.113 25515 5542 1 11 . 1 1 2 2 ALA C C 2 175.019 175.019 176.639 -1.620 25515 5543 1 11 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.714 0.857 25515 5544 1 11 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.621 0.498 25515 5545 1 11 . 1 1 3 3 ASP N N 3 120.192 120.192 122.775 -2.583 25515 5546 1 11 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.698 -0.213 25515 5547 1 11 . 1 1 3 3 ASP C C 3 175.549 175.549 175.765 -0.216 25515 5548 1 11 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.105 1.147 25515 5549 1 11 . 1 1 3 3 ASP CB C 3 41.232 41.232 43.254 -2.022 25515 5550 1 11 . 1 1 3 3 ASP H H 3 8.336 8.336 8.282 0.054 25515 5551 1 11 . 1 1 4 4 GLN N N 4 121.286 121.286 121.171 0.115 25515 5552 1 11 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.254 -0.052 25515 5553 1 11 . 1 1 4 4 GLN C C 4 175.579 175.579 175.771 -0.192 25515 5554 1 11 . 1 1 4 4 GLN CA C 4 56.326 56.326 56.540 -0.214 25515 5555 1 11 . 1 1 4 4 GLN CB C 4 29.117 29.117 28.796 0.321 25515 5556 1 11 . 1 1 4 4 GLN H H 4 8.404 8.404 8.554 -0.150 25515 5557 1 11 . 1 1 5 5 ARG N N 5 121.138 121.138 123.171 -2.033 25515 5558 1 11 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.329 -0.165 25515 5559 1 11 . 1 1 5 5 ARG C C 5 175.327 175.327 176.688 -1.361 25515 5560 1 11 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.430 0.346 25515 5561 1 11 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.832 -0.321 25515 5562 1 11 . 1 1 5 5 ARG H H 5 8.281 8.281 8.656 -0.375 25515 5563 1 11 . 1 1 6 6 GLN N N 6 120.348 120.348 118.532 1.816 25515 5564 1 11 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.486 -0.297 25515 5565 1 11 . 1 1 6 6 GLN C C 6 175.838 175.838 175.576 0.262 25515 5566 1 11 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.099 1.109 25515 5567 1 11 . 1 1 6 6 GLN CB C 6 29.131 29.131 30.256 -1.125 25515 5568 1 11 . 1 1 6 6 GLN H H 6 8.253 8.253 7.960 0.293 25515 5569 1 11 . 1 1 7 7 ARG N N 7 121.761 121.761 122.361 -0.600 25515 5570 1 11 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.122 0.119 25515 5571 1 11 . 1 1 7 7 ARG C C 7 175.708 175.708 178.515 -2.807 25515 5572 1 11 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.584 -2.248 25515 5573 1 11 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.839 0.932 25515 5574 1 11 . 1 1 7 7 ARG H H 7 8.211 8.211 8.754 -0.543 25515 5575 1 11 . 1 1 8 8 SER N N 8 116.450 116.450 114.687 1.763 25515 5576 1 11 . 1 1 8 8 SER HA H 8 4.384 4.384 4.346 0.038 25515 5577 1 11 . 1 1 8 8 SER C C 8 177.569 177.569 174.832 2.737 25515 5578 1 11 . 1 1 8 8 SER CA C 8 58.298 58.298 60.606 -2.308 25515 5579 1 11 . 1 1 8 8 SER CB C 8 63.786 63.786 62.435 1.351 25515 5580 1 11 . 1 1 8 8 SER H H 8 8.220 8.220 8.525 -0.305 25515 5581 1 11 . 1 1 9 9 LEU N N 9 123.709 123.709 113.975 9.734 25515 5582 1 11 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.593 -0.239 25515 5583 1 11 . 1 1 9 9 LEU C C 9 174.915 174.915 177.086 -2.171 25515 5584 1 11 . 1 1 9 9 LEU CA C 9 54.976 54.976 54.825 0.151 25515 5585 1 11 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.607 1.071 25515 5586 1 11 . 1 1 9 9 LEU H H 9 8.091 8.091 7.157 0.934 25515 5587 1 11 . 1 1 10 10 SER N N 10 115.478 115.478 114.071 1.407 25515 5588 1 11 . 1 1 10 10 SER HA H 10 4.561 4.561 4.469 0.092 25515 5589 1 11 . 1 1 10 10 SER C C 10 177.096 177.096 174.943 2.153 25515 5590 1 11 . 1 1 10 10 SER CA C 10 58.016 58.016 58.990 -0.974 25515 5591 1 11 . 1 1 10 10 SER CB C 10 64.062 64.062 63.364 0.698 25515 5592 1 11 . 1 1 10 10 SER H H 10 8.187 8.187 7.816 0.371 25515 5593 1 11 . 1 1 11 11 THR N N 11 114.393 114.393 114.214 0.179 25515 5594 1 11 . 1 1 11 11 THR HA H 11 4.516 4.516 4.279 0.237 25515 5595 1 11 . 1 1 11 11 THR C C 11 177.232 177.232 175.283 1.949 25515 5596 1 11 . 1 1 11 11 THR CA C 11 61.740 61.740 61.096 0.644 25515 5597 1 11 . 1 1 11 11 THR CB C 11 69.478 69.478 69.487 -0.009 25515 5598 1 11 . 1 1 11 11 THR H H 11 8.180 8.180 7.214 0.966 25515 5599 1 11 . 1 1 12 12 SER N N 12 117.125 117.125 116.598 0.527 25515 5600 1 11 . 1 1 12 12 SER HA H 12 4.391 4.391 4.444 -0.053 25515 5601 1 11 . 1 1 12 12 SER C C 12 176.856 176.856 175.101 1.755 25515 5602 1 11 . 1 1 12 12 SER CA C 12 58.537 58.537 58.629 -0.092 25515 5603 1 11 . 1 1 12 12 SER CB C 12 63.915 63.915 62.701 1.214 25515 5604 1 11 . 1 1 12 12 SER H H 12 8.171 8.171 8.553 -0.382 25515 5605 1 11 . 1 1 13 13 GLY N N 13 111.544 111.544 107.510 4.034 25515 5606 1 11 . 1 1 13 13 GLY C C 13 178.243 178.243 173.159 5.084 25515 5607 1 11 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.973 0.507 25515 5608 1 11 . 1 1 13 13 GLY H H 13 8.381 8.381 8.134 0.247 25515 5609 1 11 . 1 1 14 14 GLU N N 14 119.223 119.223 120.351 -1.128 25515 5610 1 11 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.941 -0.501 25515 5611 1 11 . 1 1 14 14 GLU C C 14 174.876 174.876 175.653 -0.777 25515 5612 1 11 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.379 1.045 25515 5613 1 11 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.747 -0.769 25515 5614 1 11 . 1 1 14 14 GLU H H 14 8.149 8.149 7.828 0.321 25515 5615 1 11 . 1 1 15 15 SER N N 15 117.752 117.752 117.464 0.288 25515 5616 1 11 . 1 1 15 15 SER H H 15 8.437 8.437 8.648 -0.211 25515 5617 1 11 . 1 1 16 16 LEU N N 16 121.072 121.072 123.712 -2.640 25515 5618 1 11 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.115 -0.254 25515 5619 1 11 . 1 1 16 16 LEU C C 16 174.423 174.423 179.014 -4.591 25515 5620 1 11 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.588 -0.163 25515 5621 1 11 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.098 0.578 25515 5622 1 11 . 1 1 16 16 LEU H H 16 8.233 8.233 8.418 -0.185 25515 5623 1 11 . 1 1 17 17 TYR N N 17 111.961 111.961 115.218 -3.257 25515 5624 1 11 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.116 -0.454 25515 5625 1 11 . 1 1 17 17 TYR C C 17 173.256 173.256 178.397 -5.141 25515 5626 1 11 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.267 -0.401 25515 5627 1 11 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.579 -0.172 25515 5628 1 11 . 1 1 17 17 TYR H H 17 6.929 6.929 8.092 -1.163 25515 5629 1 11 . 1 1 18 18 HIS N N 18 119.254 119.254 118.098 1.156 25515 5630 1 11 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.362 0.076 25515 5631 1 11 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.354 -0.440 25515 5632 1 11 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.488 -0.873 25515 5633 1 11 . 1 1 18 18 HIS H H 18 7.672 7.672 7.636 0.036 25515 5634 1 11 . 1 1 19 19 VAL N N 19 120.746 120.746 118.563 2.183 25515 5635 1 11 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.833 -0.128 25515 5636 1 11 . 1 1 19 19 VAL C C 19 175.643 175.643 177.346 -1.703 25515 5637 1 11 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.458 0.075 25515 5638 1 11 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.359 0.106 25515 5639 1 11 . 1 1 19 19 VAL H H 19 7.883 7.883 7.784 0.099 25515 5640 1 11 . 1 1 20 20 LEU N N 20 114.576 114.576 120.439 -5.863 25515 5641 1 11 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.469 -0.108 25515 5642 1 11 . 1 1 20 20 LEU C C 20 175.746 175.746 177.336 -1.590 25515 5643 1 11 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.694 -1.413 25515 5644 1 11 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.506 0.394 25515 5645 1 11 . 1 1 20 20 LEU H H 20 6.626 6.626 7.763 -1.137 25515 5646 1 11 . 1 1 21 21 GLY N N 21 109.239 109.239 106.703 2.536 25515 5647 1 11 . 1 1 21 21 GLY C C 21 177.637 177.637 174.224 3.413 25515 5648 1 11 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.618 0.665 25515 5649 1 11 . 1 1 21 21 GLY H H 21 7.991 7.991 7.881 0.110 25515 5650 1 11 . 1 1 22 22 LEU N N 22 119.495 119.495 116.277 3.218 25515 5651 1 11 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.784 -0.017 25515 5652 1 11 . 1 1 22 22 LEU C C 22 177.306 177.306 175.761 1.545 25515 5653 1 11 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.640 0.242 25515 5654 1 11 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.577 2.330 25515 5655 1 11 . 1 1 22 22 LEU H H 22 7.765 7.765 7.240 0.525 25515 5656 1 11 . 1 1 23 23 ASP N N 23 118.518 118.518 118.871 -0.353 25515 5657 1 11 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.794 -0.205 25515 5658 1 11 . 1 1 23 23 ASP C C 23 176.597 176.597 177.715 -1.118 25515 5659 1 11 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.801 -1.770 25515 5660 1 11 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.150 1.331 25515 5661 1 11 . 1 1 23 23 ASP H H 23 7.977 7.977 8.494 -0.517 25515 5662 1 11 . 1 1 24 24 LYS N N 24 115.499 115.499 118.747 -3.248 25515 5663 1 11 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.307 -1.155 25515 5664 1 11 . 1 1 24 24 LYS C C 24 176.231 176.231 175.666 0.565 25515 5665 1 11 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.897 -0.830 25515 5666 1 11 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.367 0.995 25515 5667 1 11 . 1 1 24 24 LYS H H 24 7.811 7.811 8.562 -0.751 25515 5668 1 11 . 1 1 25 25 ASN N N 25 115.622 115.622 116.486 -0.864 25515 5669 1 11 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.846 -0.321 25515 5670 1 11 . 1 1 25 25 ASN C C 25 176.698 176.698 174.619 2.079 25515 5671 1 11 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.719 0.154 25515 5672 1 11 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.918 -0.844 25515 5673 1 11 . 1 1 25 25 ASN H H 25 7.817 7.817 7.813 0.004 25515 5674 1 11 . 1 1 26 26 ALA N N 26 122.970 122.970 124.163 -1.193 25515 5675 1 11 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.358 0.001 25515 5676 1 11 . 1 1 26 26 ALA C C 26 173.847 173.847 177.042 -3.195 25515 5677 1 11 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.556 0.361 25515 5678 1 11 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.567 1.400 25515 5679 1 11 . 1 1 26 26 ALA H H 26 7.646 7.646 7.504 0.142 25515 5680 1 11 . 1 1 27 27 THR N N 27 113.252 113.252 113.911 -0.659 25515 5681 1 11 . 1 1 27 27 THR HA H 27 4.657 4.657 4.423 0.234 25515 5682 1 11 . 1 1 27 27 THR C C 27 175.986 175.986 176.156 -0.170 25515 5683 1 11 . 1 1 27 27 THR CA C 27 60.427 60.427 61.436 -1.009 25515 5684 1 11 . 1 1 27 27 THR CB C 27 71.702 71.702 71.301 0.401 25515 5685 1 11 . 1 1 27 27 THR H H 27 9.089 9.089 8.080 1.009 25515 5686 1 11 . 1 1 28 28 SER N N 28 115.961 115.961 117.644 -1.683 25515 5687 1 11 . 1 1 28 28 SER HA H 28 3.930 3.930 4.064 -0.134 25515 5688 1 11 . 1 1 28 28 SER C C 28 175.440 175.440 175.946 -0.506 25515 5689 1 11 . 1 1 28 28 SER CA C 28 62.515 62.515 62.105 0.410 25515 5690 1 11 . 1 1 28 28 SER CB C 28 62.713 62.713 63.363 -0.650 25515 5691 1 11 . 1 1 28 28 SER H H 28 9.095 9.095 8.882 0.213 25515 5692 1 11 . 1 1 29 29 ASP N N 29 119.797 119.797 120.266 -0.469 25515 5693 1 11 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.333 0.070 25515 5694 1 11 . 1 1 29 29 ASP C C 29 173.862 173.862 178.158 -4.296 25515 5695 1 11 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.623 0.160 25515 5696 1 11 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.595 0.456 25515 5697 1 11 . 1 1 29 29 ASP H H 29 8.122 8.122 8.223 -0.101 25515 5698 1 11 . 1 1 30 30 ASP N N 30 120.847 120.847 120.177 0.670 25515 5699 1 11 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.604 -0.257 25515 5700 1 11 . 1 1 30 30 ASP C C 30 172.627 172.627 178.580 -5.953 25515 5701 1 11 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.605 1.084 25515 5702 1 11 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.028 -0.046 25515 5703 1 11 . 1 1 30 30 ASP H H 30 7.851 7.851 7.727 0.124 25515 5704 1 11 . 1 1 31 31 ILE N N 31 121.776 121.776 120.644 1.132 25515 5705 1 11 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.667 -0.151 25515 5706 1 11 . 1 1 31 31 ILE C C 31 174.709 174.709 178.242 -3.533 25515 5707 1 11 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.208 0.278 25515 5708 1 11 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.861 0.380 25515 5709 1 11 . 1 1 31 31 ILE H H 31 8.122 8.122 8.091 0.031 25515 5710 1 11 . 1 1 32 32 LYS N N 32 119.510 119.510 120.321 -0.811 25515 5711 1 11 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.461 -0.384 25515 5712 1 11 . 1 1 32 32 LYS C C 32 172.959 172.959 179.263 -6.304 25515 5713 1 11 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.435 2.400 25515 5714 1 11 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.044 0.460 25515 5715 1 11 . 1 1 32 32 LYS H H 32 8.172 8.172 8.000 0.172 25515 5716 1 11 . 1 1 33 33 LYS N N 33 119.042 119.042 120.689 -1.647 25515 5717 1 11 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.040 -0.072 25515 5718 1 11 . 1 1 33 33 LYS C C 33 172.323 172.323 179.290 -6.967 25515 5719 1 11 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.772 0.234 25515 5720 1 11 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.290 0.423 25515 5721 1 11 . 1 1 33 33 LYS H H 33 8.342 8.342 8.232 0.110 25515 5722 1 11 . 1 1 34 34 SER N N 34 115.060 115.060 115.488 -0.428 25515 5723 1 11 . 1 1 34 34 SER HA H 34 4.260 4.260 4.186 0.074 25515 5724 1 11 . 1 1 34 34 SER C C 34 175.503 175.503 176.429 -0.926 25515 5725 1 11 . 1 1 34 34 SER CA C 34 61.734 61.734 61.832 -0.098 25515 5726 1 11 . 1 1 34 34 SER CB C 34 63.088 63.088 63.070 0.018 25515 5727 1 11 . 1 1 34 34 SER H H 34 8.161 8.161 8.571 -0.410 25515 5728 1 11 . 1 1 35 35 TYR N N 35 119.241 119.241 123.179 -3.938 25515 5729 1 11 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.171 -0.297 25515 5730 1 11 . 1 1 35 35 TYR C C 35 176.352 176.352 176.981 -0.629 25515 5731 1 11 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.355 0.514 25515 5732 1 11 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.413 0.377 25515 5733 1 11 . 1 1 35 35 TYR H H 35 8.499 8.499 7.621 0.878 25515 5734 1 11 . 1 1 36 36 ARG N N 36 116.674 116.674 117.861 -1.187 25515 5735 1 11 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.496 -0.043 25515 5736 1 11 . 1 1 36 36 ARG C C 36 173.135 173.135 178.649 -5.514 25515 5737 1 11 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.611 0.999 25515 5738 1 11 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.284 0.595 25515 5739 1 11 . 1 1 36 36 ARG H H 36 7.967 7.967 8.054 -0.087 25515 5740 1 11 . 1 1 37 37 LYS N N 37 116.974 116.974 119.249 -2.275 25515 5741 1 11 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.985 -0.015 25515 5742 1 11 . 1 1 37 37 LYS C C 37 172.489 172.489 179.642 -7.153 25515 5743 1 11 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.389 -0.012 25515 5744 1 11 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.221 0.536 25515 5745 1 11 . 1 1 37 37 LYS H H 37 7.275 7.275 8.029 -0.754 25515 5746 1 11 . 1 1 38 38 LEU N N 38 120.978 120.978 118.682 2.296 25515 5747 1 11 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.263 -0.240 25515 5748 1 11 . 1 1 38 38 LEU C C 38 173.557 173.557 178.527 -4.970 25515 5749 1 11 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.658 0.746 25515 5750 1 11 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.111 0.257 25515 5751 1 11 . 1 1 38 38 LEU H H 38 8.268 8.268 7.632 0.636 25515 5752 1 11 . 1 1 39 39 ALA N N 39 122.700 122.700 122.914 -0.214 25515 5753 1 11 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.991 -0.106 25515 5754 1 11 . 1 1 39 39 ALA C C 39 172.721 172.721 179.044 -6.323 25515 5755 1 11 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.358 0.082 25515 5756 1 11 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.285 -1.335 25515 5757 1 11 . 1 1 39 39 ALA H H 39 9.043 9.043 8.298 0.745 25515 5758 1 11 . 1 1 40 40 LEU N N 40 114.462 114.462 113.933 0.529 25515 5759 1 11 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.986 0.046 25515 5760 1 11 . 1 1 40 40 LEU C C 40 173.110 173.110 179.163 -6.053 25515 5761 1 11 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.691 0.617 25515 5762 1 11 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.149 1.885 25515 5763 1 11 . 1 1 40 40 LEU H H 40 6.862 6.862 7.528 -0.666 25515 5764 1 11 . 1 1 41 41 LYS N N 41 118.126 118.126 121.138 -3.012 25515 5765 1 11 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.765 0.077 25515 5766 1 11 . 1 1 41 41 LYS C C 41 173.695 173.695 177.270 -3.575 25515 5767 1 11 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.894 -0.152 25515 5768 1 11 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.302 0.685 25515 5769 1 11 . 1 1 41 41 LYS H H 41 7.135 7.135 7.678 -0.543 25515 5770 1 11 . 1 1 42 42 TYR N N 42 113.902 113.902 113.489 0.413 25515 5771 1 11 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.587 -0.097 25515 5772 1 11 . 1 1 42 42 TYR C C 42 178.884 178.884 174.528 4.356 25515 5773 1 11 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.264 0.749 25515 5774 1 11 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.411 0.098 25515 5775 1 11 . 1 1 42 42 TYR H H 42 7.756 7.756 7.646 0.110 25515 5776 1 11 . 1 1 43 43 HIS N N 43 120.909 120.909 122.557 -1.648 25515 5777 1 11 . 1 1 43 43 HIS HA H 43 3.472 3.472 3.997 -0.525 25515 5778 1 11 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.193 0.706 25515 5779 1 11 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.283 -0.158 25515 5780 1 11 . 1 1 43 43 HIS H H 43 7.134 7.134 7.592 -0.458 25515 5781 1 11 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.080 -0.082 25515 5782 1 11 . 1 1 44 44 PRO C C 44 172.774 172.774 178.208 -5.434 25515 5783 1 11 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.867 -0.262 25515 5784 1 11 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.517 0.093 25515 5785 1 11 . 1 1 45 45 ASP N N 45 121.379 121.379 115.336 6.043 25515 5786 1 11 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.504 -0.147 25515 5787 1 11 . 1 1 45 45 ASP C C 45 173.968 173.968 177.107 -3.139 25515 5788 1 11 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.881 1.890 25515 5789 1 11 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.729 -0.606 25515 5790 1 11 . 1 1 45 45 ASP H H 45 10.727 10.727 8.275 2.452 25515 5791 1 11 . 1 1 46 46 LYS N N 46 115.902 115.902 117.711 -1.809 25515 5792 1 11 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.217 0.141 25515 5793 1 11 . 1 1 46 46 LYS C C 46 176.450 176.450 176.525 -0.075 25515 5794 1 11 . 1 1 46 46 LYS CA C 46 54.774 54.774 55.927 -1.153 25515 5795 1 11 . 1 1 46 46 LYS CB C 46 33.189 33.189 31.998 1.191 25515 5796 1 11 . 1 1 46 46 LYS H H 46 7.475 7.475 8.165 -0.690 25515 5797 1 11 . 1 1 47 47 ASN N N 47 117.709 117.709 120.036 -2.327 25515 5798 1 11 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.037 0.113 25515 5799 1 11 . 1 1 47 47 ASN C C 47 170.657 170.657 173.813 -3.156 25515 5800 1 11 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.179 0.361 25515 5801 1 11 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.326 2.230 25515 5802 1 11 . 1 1 47 47 ASN H H 47 7.410 7.410 7.467 -0.057 25515 5803 1 11 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.651 -0.285 25515 5804 1 11 . 1 1 48 48 PRO C C 48 174.739 174.739 176.229 -1.490 25515 5805 1 11 . 1 1 48 48 PRO CA C 48 64.112 64.112 61.908 2.204 25515 5806 1 11 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.827 -1.303 25515 5807 1 11 . 1 1 49 49 ASP N N 49 117.619 117.619 117.542 0.077 25515 5808 1 11 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.489 -0.112 25515 5809 1 11 . 1 1 49 49 ASP C C 49 177.335 177.335 175.778 1.557 25515 5810 1 11 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.260 -0.675 25515 5811 1 11 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.017 -0.763 25515 5812 1 11 . 1 1 49 49 ASP H H 49 8.679 8.679 8.352 0.327 25515 5813 1 11 . 1 1 50 50 ASN N N 50 114.537 114.537 118.880 -4.343 25515 5814 1 11 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.755 0.445 25515 5815 1 11 . 1 1 50 50 ASN C C 50 178.245 178.245 174.387 3.858 25515 5816 1 11 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.158 -2.023 25515 5817 1 11 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.348 1.228 25515 5818 1 11 . 1 1 50 50 ASN H H 50 7.341 7.341 8.301 -0.960 25515 5819 1 11 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.524 -0.160 25515 5820 1 11 . 1 1 51 51 PRO C C 51 173.714 173.714 177.749 -4.035 25515 5821 1 11 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.313 1.305 25515 5822 1 11 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.901 0.200 25515 5823 1 11 . 1 1 52 52 GLU N N 52 118.597 118.597 121.229 -2.632 25515 5824 1 11 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.073 0.115 25515 5825 1 11 . 1 1 52 52 GLU C C 52 173.216 173.216 177.721 -4.505 25515 5826 1 11 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.089 -1.139 25515 5827 1 11 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.360 -0.161 25515 5828 1 11 . 1 1 52 52 GLU H H 52 8.048 8.048 8.753 -0.705 25515 5829 1 11 . 1 1 53 53 ALA N N 53 122.149 122.149 120.929 1.220 25515 5830 1 11 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.193 -0.219 25515 5831 1 11 . 1 1 53 53 ALA C C 53 173.485 173.485 179.281 -5.796 25515 5832 1 11 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.899 0.172 25515 5833 1 11 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.236 -0.459 25515 5834 1 11 . 1 1 53 53 ALA H H 53 7.606 7.606 7.751 -0.145 25515 5835 1 11 . 1 1 54 54 ALA N N 54 119.475 119.475 121.793 -2.318 25515 5836 1 11 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.208 0.019 25515 5837 1 11 . 1 1 54 54 ALA C C 54 171.125 171.125 179.324 -8.199 25515 5838 1 11 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.803 0.368 25515 5839 1 11 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.578 -0.731 25515 5840 1 11 . 1 1 54 54 ALA H H 54 7.680 7.680 8.163 -0.483 25515 5841 1 11 . 1 1 55 55 ASP N N 55 120.134 120.134 119.041 1.093 25515 5842 1 11 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.311 0.110 25515 5843 1 11 . 1 1 55 55 ASP C C 55 173.088 173.088 178.635 -5.547 25515 5844 1 11 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.918 -0.512 25515 5845 1 11 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.946 -0.617 25515 5846 1 11 . 1 1 55 55 ASP H H 55 7.983 7.983 8.317 -0.334 25515 5847 1 11 . 1 1 56 56 LYS N N 56 120.915 120.915 119.601 1.314 25515 5848 1 11 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.998 -0.088 25515 5849 1 11 . 1 1 56 56 LYS C C 56 173.210 173.210 178.808 -5.598 25515 5850 1 11 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.797 -0.316 25515 5851 1 11 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.464 -0.556 25515 5852 1 11 . 1 1 56 56 LYS H H 56 7.758 7.758 7.802 -0.044 25515 5853 1 11 . 1 1 57 57 PHE N N 57 120.024 120.024 119.984 0.040 25515 5854 1 11 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.149 -0.144 25515 5855 1 11 . 1 1 57 57 PHE C C 57 174.430 174.430 177.314 -2.884 25515 5856 1 11 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.803 1.737 25515 5857 1 11 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.597 0.491 25515 5858 1 11 . 1 1 57 57 PHE H H 57 8.861 8.861 8.491 0.370 25515 5859 1 11 . 1 1 58 58 LYS N N 58 119.306 119.306 119.689 -0.383 25515 5860 1 11 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.645 0.308 25515 5861 1 11 . 1 1 58 58 LYS C C 58 172.875 172.875 178.672 -5.797 25515 5862 1 11 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.005 -0.145 25515 5863 1 11 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.357 -0.048 25515 5864 1 11 . 1 1 58 58 LYS H H 58 7.846 7.846 8.197 -0.351 25515 5865 1 11 . 1 1 59 59 GLU N N 59 119.732 119.732 118.351 1.381 25515 5866 1 11 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.124 -0.075 25515 5867 1 11 . 1 1 59 59 GLU C C 59 171.935 171.935 179.057 -7.122 25515 5868 1 11 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.024 0.449 25515 5869 1 11 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.320 0.506 25515 5870 1 11 . 1 1 59 59 GLU H H 59 7.732 7.732 8.135 -0.403 25515 5871 1 11 . 1 1 60 60 ILE N N 60 119.074 119.074 121.720 -2.646 25515 5872 1 11 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.725 -0.037 25515 5873 1 11 . 1 1 60 60 ILE C C 60 174.424 174.424 178.178 -3.754 25515 5874 1 11 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.057 -0.783 25515 5875 1 11 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.884 0.563 25515 5876 1 11 . 1 1 60 60 ILE H H 60 8.429 8.429 8.496 -0.067 25515 5877 1 11 . 1 1 61 61 ASN N N 61 120.038 120.038 117.344 2.694 25515 5878 1 11 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.434 -0.133 25515 5879 1 11 . 1 1 61 61 ASN C C 61 174.271 174.271 177.435 -3.164 25515 5880 1 11 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.095 0.461 25515 5881 1 11 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.187 0.096 25515 5882 1 11 . 1 1 61 61 ASN H H 61 8.025 8.025 8.562 -0.537 25515 5883 1 11 . 1 1 62 62 ASN N N 62 119.502 119.502 118.508 0.994 25515 5884 1 11 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.529 -0.219 25515 5885 1 11 . 1 1 62 62 ASN C C 62 176.042 176.042 177.497 -1.455 25515 5886 1 11 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.618 0.930 25515 5887 1 11 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.492 0.229 25515 5888 1 11 . 1 1 62 62 ASN H H 62 8.042 8.042 7.808 0.234 25515 5889 1 11 . 1 1 63 63 ALA N N 63 119.769 119.769 122.949 -3.180 25515 5890 1 11 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.720 -0.034 25515 5891 1 11 . 1 1 63 63 ALA C C 63 173.564 173.564 178.665 -5.101 25515 5892 1 11 . 1 1 63 63 ALA CA C 63 55.540 55.540 55.171 0.369 25515 5893 1 11 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.251 0.255 25515 5894 1 11 . 1 1 63 63 ALA H H 63 7.944 7.944 8.449 -0.505 25515 5895 1 11 . 1 1 64 64 HIS N N 64 115.292 115.292 118.781 -3.489 25515 5896 1 11 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.151 -0.624 25515 5897 1 11 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.179 1.205 25515 5898 1 11 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.383 0.552 25515 5899 1 11 . 1 1 64 64 HIS H H 64 8.055 8.055 8.402 -0.347 25515 5900 1 11 . 1 1 65 65 ALA N N 65 122.093 122.093 118.745 3.348 25515 5901 1 11 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.006 -0.500 25515 5902 1 11 . 1 1 65 65 ALA C C 65 172.454 172.454 178.322 -5.868 25515 5903 1 11 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.172 1.819 25515 5904 1 11 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.628 -1.490 25515 5905 1 11 . 1 1 65 65 ALA H H 65 7.944 7.944 7.703 0.241 25515 5906 1 11 . 1 1 66 66 ILE N N 66 115.954 115.954 118.208 -2.254 25515 5907 1 11 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.747 -0.289 25515 5908 1 11 . 1 1 66 66 ILE C C 66 175.394 175.394 177.724 -2.330 25515 5909 1 11 . 1 1 66 66 ILE CA C 66 63.608 63.608 62.275 1.333 25515 5910 1 11 . 1 1 66 66 ILE CB C 66 37.989 37.989 37.220 0.769 25515 5911 1 11 . 1 1 66 66 ILE H H 66 7.358 7.358 7.390 -0.032 25515 5912 1 11 . 1 1 67 67 LEU N N 67 111.268 111.268 118.482 -7.214 25515 5913 1 11 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.904 -0.229 25515 5914 1 11 . 1 1 67 67 LEU C C 67 174.490 174.490 178.568 -4.078 25515 5915 1 11 . 1 1 67 67 LEU CA C 67 56.567 56.567 57.110 -0.543 25515 5916 1 11 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.094 1.960 25515 5917 1 11 . 1 1 67 67 LEU H H 67 7.743 7.743 7.793 -0.050 25515 5918 1 11 . 1 1 68 68 THR N N 68 103.399 103.399 108.545 -5.146 25515 5919 1 11 . 1 1 68 68 THR HA H 68 4.023 4.023 4.305 -0.282 25515 5920 1 11 . 1 1 68 68 THR C C 68 178.796 178.796 173.759 5.037 25515 5921 1 11 . 1 1 68 68 THR CA C 68 61.672 61.672 61.410 0.262 25515 5922 1 11 . 1 1 68 68 THR CB C 68 69.052 69.052 68.251 0.801 25515 5923 1 11 . 1 1 68 68 THR H H 68 7.104 7.104 7.948 -0.844 25515 5924 1 11 . 1 1 69 69 ASP N N 69 125.057 125.057 122.019 3.038 25515 5925 1 11 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.756 -0.055 25515 5926 1 11 . 1 1 69 69 ASP C C 69 177.204 177.204 175.861 1.343 25515 5927 1 11 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.719 0.040 25515 5928 1 11 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.746 -0.995 25515 5929 1 11 . 1 1 69 69 ASP H H 69 7.076 7.076 7.558 -0.482 25515 5930 1 11 . 1 1 70 70 ALA N N 70 128.178 128.178 126.146 2.032 25515 5931 1 11 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.094 -0.197 25515 5932 1 11 . 1 1 70 70 ALA C C 70 171.909 171.909 179.020 -7.111 25515 5933 1 11 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.922 0.904 25515 5934 1 11 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.754 -0.280 25515 5935 1 11 . 1 1 70 70 ALA H H 70 8.761 8.761 8.575 0.186 25515 5936 1 11 . 1 1 71 71 THR N N 71 113.629 113.629 115.386 -1.757 25515 5937 1 11 . 1 1 71 71 THR HA H 71 3.981 3.981 4.040 -0.059 25515 5938 1 11 . 1 1 71 71 THR C C 71 175.038 175.038 176.860 -1.822 25515 5939 1 11 . 1 1 71 71 THR CA C 71 66.164 66.164 66.515 -0.351 25515 5940 1 11 . 1 1 71 71 THR CB C 71 68.319 68.319 68.643 -0.324 25515 5941 1 11 . 1 1 71 71 THR H H 71 7.957 7.957 7.833 0.124 25515 5942 1 11 . 1 1 72 72 LYS N N 72 122.501 122.501 119.457 3.044 25515 5943 1 11 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.106 -0.296 25515 5944 1 11 . 1 1 72 72 LYS C C 72 173.814 173.814 178.923 -5.109 25515 5945 1 11 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.466 0.825 25515 5946 1 11 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.234 0.572 25515 5947 1 11 . 1 1 72 72 LYS H H 72 8.309 8.309 8.912 -0.603 25515 5948 1 11 . 1 1 73 73 ARG N N 73 120.595 120.595 118.526 2.069 25515 5949 1 11 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.102 -0.499 25515 5950 1 11 . 1 1 73 73 ARG C C 73 174.477 174.477 177.296 -2.819 25515 5951 1 11 . 1 1 73 73 ARG CA C 73 60.829 60.829 59.001 1.828 25515 5952 1 11 . 1 1 73 73 ARG H H 73 9.258 9.258 7.801 1.457 25515 5953 1 11 . 1 1 74 74 ASN N N 74 115.425 115.425 119.797 -4.372 25515 5954 1 11 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.485 -0.054 25515 5955 1 11 . 1 1 74 74 ASN C C 74 174.296 174.296 177.909 -3.613 25515 5956 1 11 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.834 -0.124 25515 5957 1 11 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.402 0.328 25515 5958 1 11 . 1 1 74 74 ASN H H 74 7.534 7.534 8.127 -0.593 25515 5959 1 11 . 1 1 75 75 ILE N N 75 119.020 119.020 118.479 0.541 25515 5960 1 11 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.855 -0.222 25515 5961 1 11 . 1 1 75 75 ILE C C 75 174.667 174.667 177.337 -2.670 25515 5962 1 11 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.231 1.274 25515 5963 1 11 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.398 1.827 25515 5964 1 11 . 1 1 75 75 ILE H H 75 7.656 7.656 8.290 -0.634 25515 5965 1 11 . 1 1 76 76 TYR N N 76 121.913 121.913 122.139 -0.226 25515 5966 1 11 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.058 -0.043 25515 5967 1 11 . 1 1 76 76 TYR C C 76 173.323 173.323 177.143 -3.820 25515 5968 1 11 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.962 -0.415 25515 5969 1 11 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.282 0.471 25515 5970 1 11 . 1 1 76 76 TYR H H 76 8.894 8.894 7.837 1.057 25515 5971 1 11 . 1 1 77 77 ASP N N 77 120.151 120.151 117.688 2.463 25515 5972 1 11 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.264 0.073 25515 5973 1 11 . 1 1 77 77 ASP C C 77 174.321 174.321 177.632 -3.311 25515 5974 1 11 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.845 1.074 25515 5975 1 11 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.101 -1.116 25515 5976 1 11 . 1 1 77 77 ASP H H 77 9.151 9.151 7.998 1.153 25515 5977 1 11 . 1 1 78 78 LYS N N 78 117.659 117.659 119.451 -1.792 25515 5978 1 11 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.920 0.007 25515 5979 1 11 . 1 1 78 78 LYS C C 78 174.237 174.237 177.396 -3.159 25515 5980 1 11 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.286 0.126 25515 5981 1 11 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.882 0.760 25515 5982 1 11 . 1 1 78 78 LYS H H 78 7.378 7.378 8.042 -0.664 25515 5983 1 11 . 1 1 79 79 TYR N N 79 115.151 115.151 114.621 0.530 25515 5984 1 11 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.574 0.047 25515 5985 1 11 . 1 1 79 79 TYR C C 79 175.424 175.424 177.624 -2.200 25515 5986 1 11 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.198 -2.625 25515 5987 1 11 . 1 1 79 79 TYR H H 79 8.505 8.505 8.235 0.270 25515 5988 1 11 . 1 1 80 80 GLY N N 80 110.813 110.813 107.614 3.199 25515 5989 1 11 . 1 1 80 80 GLY C C 80 177.481 177.481 175.910 1.571 25515 5990 1 11 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.626 -1.081 25515 5991 1 11 . 1 1 80 80 GLY H H 80 8.222 8.222 8.698 -0.476 25515 5992 1 11 . 1 1 81 81 SER N N 81 117.578 117.578 117.969 -0.391 25515 5993 1 11 . 1 1 81 81 SER C C 81 174.532 174.532 176.073 -1.541 25515 5994 1 11 . 1 1 81 81 SER CA C 81 61.579 61.579 60.732 0.847 25515 5995 1 11 . 1 1 81 81 SER H H 81 8.883 8.883 8.067 0.816 25515 5996 1 11 . 1 1 82 82 LEU N N 82 123.998 123.998 121.699 2.299 25515 5997 1 11 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.610 -0.339 25515 5998 1 11 . 1 1 82 82 LEU C C 82 173.400 173.400 178.636 -5.236 25515 5999 1 11 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.550 1.381 25515 6000 1 11 . 1 1 82 82 LEU CB C 82 41.387 41.387 42.005 -0.618 25515 6001 1 11 . 1 1 82 82 LEU H H 82 8.920 8.920 8.043 0.877 25515 6002 1 11 . 1 1 83 83 GLY N N 83 105.677 105.677 106.873 -1.196 25515 6003 1 11 . 1 1 83 83 GLY C C 83 177.230 177.230 176.034 1.196 25515 6004 1 11 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.638 0.010 25515 6005 1 11 . 1 1 83 83 GLY H H 83 7.565 7.565 8.966 -1.401 25515 6006 1 11 . 1 1 84 84 LEU N N 84 119.542 119.542 122.212 -2.670 25515 6007 1 11 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.234 -0.175 25515 6008 1 11 . 1 1 84 84 LEU C C 84 173.036 173.036 177.918 -4.882 25515 6009 1 11 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.388 0.045 25515 6010 1 11 . 1 1 84 84 LEU H H 84 7.495 7.495 7.557 -0.062 25515 6011 1 11 . 1 1 85 85 TYR N N 85 121.424 121.424 119.054 2.370 25515 6012 1 11 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.611 -0.353 25515 6013 1 11 . 1 1 85 85 TYR CA C 85 60.970 60.970 59.995 0.975 25515 6014 1 11 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.962 0.346 25515 6015 1 11 . 1 1 85 85 TYR H H 85 7.894 7.894 7.816 0.078 25515 6016 1 11 . 1 1 86 86 VAL N N 86 120.088 120.088 119.637 0.451 25515 6017 1 11 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.281 -0.005 25515 6018 1 11 . 1 1 86 86 VAL C C 86 174.300 174.300 176.907 -2.607 25515 6019 1 11 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.487 1.822 25515 6020 1 11 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.571 0.103 25515 6021 1 11 . 1 1 86 86 VAL H H 86 8.402 8.402 8.226 0.176 25515 6022 1 11 . 1 1 87 87 ALA N N 87 121.800 121.800 121.770 0.030 25515 6023 1 11 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.159 -0.422 25515 6024 1 11 . 1 1 87 87 ALA C C 87 172.312 172.312 178.779 -6.467 25515 6025 1 11 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.958 -0.515 25515 6026 1 11 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.262 0.140 25515 6027 1 11 . 1 1 87 87 ALA H H 87 8.317 8.317 7.685 0.632 25515 6028 1 11 . 1 1 88 88 GLU N N 88 118.012 118.012 117.220 0.792 25515 6029 1 11 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.960 -0.085 25515 6030 1 11 . 1 1 88 88 GLU C C 88 174.071 174.071 178.869 -4.798 25515 6031 1 11 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.825 -0.059 25515 6032 1 11 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.455 0.094 25515 6033 1 11 . 1 1 88 88 GLU H H 88 7.777 7.777 7.726 0.051 25515 6034 1 11 . 1 1 89 89 GLN N N 89 116.164 116.164 117.215 -1.051 25515 6035 1 11 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.069 -0.358 25515 6036 1 11 . 1 1 89 89 GLN C C 89 174.572 174.572 177.933 -3.361 25515 6037 1 11 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.734 -0.689 25515 6038 1 11 . 1 1 89 89 GLN CB C 89 28.664 28.664 28.946 -0.282 25515 6039 1 11 . 1 1 89 89 GLN H H 89 7.704 7.704 7.584 0.120 25515 6040 1 11 . 1 1 90 90 PHE N N 90 114.734 114.734 117.082 -2.348 25515 6041 1 11 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.442 0.268 25515 6042 1 11 . 1 1 90 90 PHE C C 90 175.715 175.715 176.000 -0.285 25515 6043 1 11 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.463 -2.058 25515 6044 1 11 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.095 0.108 25515 6045 1 11 . 1 1 90 90 PHE H H 90 8.241 8.241 8.530 -0.289 25515 6046 1 11 . 1 1 91 91 GLY N N 91 111.234 111.234 106.390 4.844 25515 6047 1 11 . 1 1 91 91 GLY C C 91 176.788 176.788 174.222 2.566 25515 6048 1 11 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.756 0.414 25515 6049 1 11 . 1 1 91 91 GLY H H 91 7.668 7.668 7.409 0.259 25515 6050 1 11 . 1 1 92 92 GLU N N 92 123.392 123.392 123.794 -0.402 25515 6051 1 11 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.937 -0.095 25515 6052 1 11 . 1 1 92 92 GLU C C 92 174.798 174.798 177.541 -2.743 25515 6053 1 11 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.869 -0.611 25515 6054 1 11 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.759 -0.141 25515 6055 1 11 . 1 1 92 92 GLU H H 92 8.793 8.793 8.778 0.015 25515 6056 1 11 . 1 1 93 93 GLU N N 93 118.621 118.621 117.430 1.191 25515 6057 1 11 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.105 0.080 25515 6058 1 11 . 1 1 93 93 GLU C C 93 175.143 175.143 177.612 -2.469 25515 6059 1 11 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.409 -0.524 25515 6060 1 11 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.915 0.152 25515 6061 1 11 . 1 1 93 93 GLU H H 93 9.356 9.356 8.755 0.601 25515 6062 1 11 . 1 1 94 94 ASN N N 94 116.563 116.563 119.788 -3.225 25515 6063 1 11 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.664 0.247 25515 6064 1 11 . 1 1 94 94 ASN C C 94 176.192 176.192 177.770 -1.578 25515 6065 1 11 . 1 1 94 94 ASN CA C 94 53.311 53.311 56.004 -2.693 25515 6066 1 11 . 1 1 94 94 ASN CB C 94 39.744 39.744 38.567 1.177 25515 6067 1 11 . 1 1 94 94 ASN H H 94 7.881 7.881 7.792 0.089 25515 6068 1 11 . 1 1 95 95 VAL N N 95 119.858 119.858 118.404 1.454 25515 6069 1 11 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.683 0.057 25515 6070 1 11 . 1 1 95 95 VAL C C 95 175.715 175.715 176.925 -1.210 25515 6071 1 11 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.505 -1.007 25515 6072 1 11 . 1 1 95 95 VAL CB C 95 31.966 31.966 30.397 1.569 25515 6073 1 11 . 1 1 95 95 VAL H H 95 7.405 7.405 8.736 -1.331 25515 6074 1 11 . 1 1 96 96 ASN N N 96 116.409 116.409 118.224 -1.815 25515 6075 1 11 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.552 -0.094 25515 6076 1 11 . 1 1 96 96 ASN C C 96 175.322 175.322 176.930 -1.608 25515 6077 1 11 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.989 -0.271 25515 6078 1 11 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.364 -0.148 25515 6079 1 11 . 1 1 96 96 ASN H H 96 8.356 8.356 7.780 0.576 25515 6080 1 11 . 1 1 97 97 THR N N 97 111.266 111.266 114.322 -3.056 25515 6081 1 11 . 1 1 97 97 THR HA H 97 3.993 3.993 4.175 -0.182 25515 6082 1 11 . 1 1 97 97 THR C C 97 177.418 177.418 175.678 1.740 25515 6083 1 11 . 1 1 97 97 THR CA C 97 63.604 63.604 65.540 -1.936 25515 6084 1 11 . 1 1 97 97 THR CB C 97 69.162 69.162 69.121 0.041 25515 6085 1 11 . 1 1 97 97 THR H H 97 7.575 7.575 8.470 -0.895 25515 6086 1 11 . 1 1 98 98 TYR N N 98 119.963 119.963 120.151 -0.188 25515 6087 1 11 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.314 0.008 25515 6088 1 11 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.429 -0.231 25515 6089 1 11 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.369 -0.125 25515 6090 1 11 . 1 1 98 98 TYR H H 98 7.480 7.480 7.803 -0.323 25515 6091 1 11 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.482 0.078 25515 6092 1 11 . 1 1 99 99 PHE C C 99 177.317 177.317 175.727 1.590 25515 6093 1 11 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.389 -0.396 25515 6094 1 11 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.376 0.266 25515 6095 1 12 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.358 -0.067 25515 6096 1 12 . 1 1 2 2 ALA C C 2 175.019 175.019 176.323 -1.304 25515 6097 1 12 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.490 1.081 25515 6098 1 12 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.376 0.743 25515 6099 1 12 . 1 1 3 3 ASP N N 3 120.192 120.192 122.790 -2.598 25515 6100 1 12 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.541 -0.056 25515 6101 1 12 . 1 1 3 3 ASP C C 3 175.549 175.549 175.684 -0.135 25515 6102 1 12 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.471 -0.219 25515 6103 1 12 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.396 -0.164 25515 6104 1 12 . 1 1 3 3 ASP H H 3 8.336 8.336 8.127 0.209 25515 6105 1 12 . 1 1 4 4 GLN N N 4 121.286 121.286 122.088 -0.802 25515 6106 1 12 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.630 -0.428 25515 6107 1 12 . 1 1 4 4 GLN C C 4 175.579 175.579 175.301 0.278 25515 6108 1 12 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.172 1.154 25515 6109 1 12 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.457 -0.340 25515 6110 1 12 . 1 1 4 4 GLN H H 4 8.404 8.404 8.502 -0.098 25515 6111 1 12 . 1 1 5 5 ARG N N 5 121.138 121.138 122.328 -1.190 25515 6112 1 12 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.391 -0.227 25515 6113 1 12 . 1 1 5 5 ARG C C 5 175.327 175.327 175.693 -0.366 25515 6114 1 12 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.209 0.567 25515 6115 1 12 . 1 1 5 5 ARG CB C 5 30.511 30.511 31.010 -0.499 25515 6116 1 12 . 1 1 5 5 ARG H H 5 8.281 8.281 8.553 -0.272 25515 6117 1 12 . 1 1 6 6 GLN N N 6 120.348 120.348 117.239 3.109 25515 6118 1 12 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.646 -0.457 25515 6119 1 12 . 1 1 6 6 GLN C C 6 175.838 175.838 175.139 0.699 25515 6120 1 12 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.464 1.744 25515 6121 1 12 . 1 1 6 6 GLN CB C 6 29.131 29.131 32.331 -3.200 25515 6122 1 12 . 1 1 6 6 GLN H H 6 8.253 8.253 7.355 0.898 25515 6123 1 12 . 1 1 7 7 ARG N N 7 121.761 121.761 122.260 -0.499 25515 6124 1 12 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.120 0.121 25515 6125 1 12 . 1 1 7 7 ARG C C 7 175.708 175.708 178.157 -2.449 25515 6126 1 12 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.680 -2.344 25515 6127 1 12 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.972 0.799 25515 6128 1 12 . 1 1 7 7 ARG H H 7 8.211 8.211 8.774 -0.563 25515 6129 1 12 . 1 1 8 8 SER N N 8 116.450 116.450 111.730 4.720 25515 6130 1 12 . 1 1 8 8 SER HA H 8 4.384 4.384 4.331 0.053 25515 6131 1 12 . 1 1 8 8 SER C C 8 177.569 177.569 174.873 2.696 25515 6132 1 12 . 1 1 8 8 SER CA C 8 58.298 58.298 60.394 -2.096 25515 6133 1 12 . 1 1 8 8 SER CB C 8 63.786 63.786 62.710 1.076 25515 6134 1 12 . 1 1 8 8 SER H H 8 8.220 8.220 8.375 -0.155 25515 6135 1 12 . 1 1 9 9 LEU N N 9 123.709 123.709 114.597 9.112 25515 6136 1 12 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.673 -0.319 25515 6137 1 12 . 1 1 9 9 LEU C C 9 174.915 174.915 177.835 -2.920 25515 6138 1 12 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.908 -0.932 25515 6139 1 12 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.819 0.859 25515 6140 1 12 . 1 1 9 9 LEU H H 9 8.091 8.091 7.222 0.869 25515 6141 1 12 . 1 1 10 10 SER N N 10 115.478 115.478 115.284 0.194 25515 6142 1 12 . 1 1 10 10 SER HA H 10 4.561 4.561 4.439 0.122 25515 6143 1 12 . 1 1 10 10 SER C C 10 177.096 177.096 175.430 1.666 25515 6144 1 12 . 1 1 10 10 SER CA C 10 58.016 58.016 58.573 -0.557 25515 6145 1 12 . 1 1 10 10 SER CB C 10 64.062 64.062 63.858 0.204 25515 6146 1 12 . 1 1 10 10 SER H H 10 8.187 8.187 7.823 0.364 25515 6147 1 12 . 1 1 11 11 THR N N 11 114.393 114.393 115.191 -0.798 25515 6148 1 12 . 1 1 11 11 THR HA H 11 4.516 4.516 4.423 0.093 25515 6149 1 12 . 1 1 11 11 THR C C 11 177.232 177.232 175.293 1.939 25515 6150 1 12 . 1 1 11 11 THR CA C 11 61.740 61.740 60.996 0.744 25515 6151 1 12 . 1 1 11 11 THR CB C 11 69.478 69.478 69.838 -0.360 25515 6152 1 12 . 1 1 11 11 THR H H 11 8.180 8.180 7.442 0.738 25515 6153 1 12 . 1 1 12 12 SER N N 12 117.125 117.125 115.901 1.224 25515 6154 1 12 . 1 1 12 12 SER HA H 12 4.391 4.391 4.249 0.142 25515 6155 1 12 . 1 1 12 12 SER C C 12 176.856 176.856 175.684 1.172 25515 6156 1 12 . 1 1 12 12 SER CA C 12 58.537 58.537 60.126 -1.589 25515 6157 1 12 . 1 1 12 12 SER CB C 12 63.915 63.915 62.839 1.076 25515 6158 1 12 . 1 1 12 12 SER H H 12 8.171 8.171 8.461 -0.290 25515 6159 1 12 . 1 1 13 13 GLY N N 13 111.544 111.544 107.989 3.555 25515 6160 1 12 . 1 1 13 13 GLY C C 13 178.243 178.243 173.502 4.741 25515 6161 1 12 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.758 0.722 25515 6162 1 12 . 1 1 13 13 GLY H H 13 8.381 8.381 7.991 0.390 25515 6163 1 12 . 1 1 14 14 GLU N N 14 119.223 119.223 120.657 -1.434 25515 6164 1 12 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.986 -0.546 25515 6165 1 12 . 1 1 14 14 GLU C C 14 174.876 174.876 176.046 -1.170 25515 6166 1 12 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.786 0.638 25515 6167 1 12 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.101 -0.123 25515 6168 1 12 . 1 1 14 14 GLU H H 14 8.149 8.149 8.020 0.129 25515 6169 1 12 . 1 1 15 15 SER N N 15 117.752 117.752 117.742 0.010 25515 6170 1 12 . 1 1 15 15 SER H H 15 8.437 8.437 8.708 -0.271 25515 6171 1 12 . 1 1 16 16 LEU N N 16 121.072 121.072 123.580 -2.508 25515 6172 1 12 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.098 -0.237 25515 6173 1 12 . 1 1 16 16 LEU C C 16 174.423 174.423 179.065 -4.642 25515 6174 1 12 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.486 -0.061 25515 6175 1 12 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.064 0.612 25515 6176 1 12 . 1 1 16 16 LEU H H 16 8.233 8.233 8.369 -0.136 25515 6177 1 12 . 1 1 17 17 TYR N N 17 111.961 111.961 116.104 -4.143 25515 6178 1 12 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.051 -0.389 25515 6179 1 12 . 1 1 17 17 TYR C C 17 173.256 173.256 177.873 -4.617 25515 6180 1 12 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.538 -0.672 25515 6181 1 12 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.636 -0.229 25515 6182 1 12 . 1 1 17 17 TYR H H 17 6.929 6.929 8.009 -1.080 25515 6183 1 12 . 1 1 18 18 HIS N N 18 119.254 119.254 116.001 3.253 25515 6184 1 12 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.353 0.086 25515 6185 1 12 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.570 0.344 25515 6186 1 12 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.215 -0.600 25515 6187 1 12 . 1 1 18 18 HIS H H 18 7.672 7.672 8.346 -0.674 25515 6188 1 12 . 1 1 19 19 VAL N N 19 120.746 120.746 118.272 2.474 25515 6189 1 12 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.805 -0.100 25515 6190 1 12 . 1 1 19 19 VAL C C 19 175.643 175.643 176.842 -1.199 25515 6191 1 12 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.085 0.448 25515 6192 1 12 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.549 -0.084 25515 6193 1 12 . 1 1 19 19 VAL H H 19 7.883 7.883 7.468 0.415 25515 6194 1 12 . 1 1 20 20 LEU N N 20 114.576 114.576 116.479 -1.903 25515 6195 1 12 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.342 0.019 25515 6196 1 12 . 1 1 20 20 LEU C C 20 175.746 175.746 177.030 -1.284 25515 6197 1 12 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.737 -1.456 25515 6198 1 12 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.030 0.870 25515 6199 1 12 . 1 1 20 20 LEU H H 20 6.626 6.626 7.194 -0.568 25515 6200 1 12 . 1 1 21 21 GLY N N 21 109.239 109.239 106.767 2.472 25515 6201 1 12 . 1 1 21 21 GLY C C 21 177.637 177.637 174.611 3.026 25515 6202 1 12 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.877 0.406 25515 6203 1 12 . 1 1 21 21 GLY H H 21 7.991 7.991 7.538 0.453 25515 6204 1 12 . 1 1 22 22 LEU N N 22 119.495 119.495 117.381 2.114 25515 6205 1 12 . 1 1 22 22 LEU HA H 22 4.767 4.767 5.056 -0.289 25515 6206 1 12 . 1 1 22 22 LEU C C 22 177.306 177.306 175.568 1.738 25515 6207 1 12 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.070 -0.188 25515 6208 1 12 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.665 2.242 25515 6209 1 12 . 1 1 22 22 LEU H H 22 7.765 7.765 7.624 0.141 25515 6210 1 12 . 1 1 23 23 ASP N N 23 118.518 118.518 116.037 2.481 25515 6211 1 12 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.865 -0.276 25515 6212 1 12 . 1 1 23 23 ASP C C 23 176.597 176.597 177.584 -0.987 25515 6213 1 12 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.319 -0.288 25515 6214 1 12 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.497 0.984 25515 6215 1 12 . 1 1 23 23 ASP H H 23 7.977 7.977 8.227 -0.250 25515 6216 1 12 . 1 1 24 24 LYS N N 24 115.499 115.499 117.432 -1.933 25515 6217 1 12 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.375 -1.223 25515 6218 1 12 . 1 1 24 24 LYS C C 24 176.231 176.231 177.039 -0.808 25515 6219 1 12 . 1 1 24 24 LYS CA C 24 57.067 57.067 56.951 0.116 25515 6220 1 12 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.517 0.845 25515 6221 1 12 . 1 1 24 24 LYS H H 24 7.811 7.811 8.462 -0.651 25515 6222 1 12 . 1 1 25 25 ASN N N 25 115.622 115.622 115.899 -0.277 25515 6223 1 12 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.701 -0.176 25515 6224 1 12 . 1 1 25 25 ASN C C 25 176.698 176.698 174.974 1.724 25515 6225 1 12 . 1 1 25 25 ASN CA C 25 52.873 52.873 53.046 -0.173 25515 6226 1 12 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.798 -1.724 25515 6227 1 12 . 1 1 25 25 ASN H H 25 7.817 7.817 8.239 -0.422 25515 6228 1 12 . 1 1 26 26 ALA N N 26 122.970 122.970 123.831 -0.861 25515 6229 1 12 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.364 -0.005 25515 6230 1 12 . 1 1 26 26 ALA C C 26 173.847 173.847 176.257 -2.410 25515 6231 1 12 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.592 0.325 25515 6232 1 12 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.116 0.851 25515 6233 1 12 . 1 1 26 26 ALA H H 26 7.646 7.646 7.427 0.219 25515 6234 1 12 . 1 1 27 27 THR N N 27 113.252 113.252 113.821 -0.569 25515 6235 1 12 . 1 1 27 27 THR HA H 27 4.657 4.657 4.482 0.175 25515 6236 1 12 . 1 1 27 27 THR C C 27 175.986 175.986 176.078 -0.092 25515 6237 1 12 . 1 1 27 27 THR CA C 27 60.427 60.427 59.362 1.065 25515 6238 1 12 . 1 1 27 27 THR CB C 27 71.702 71.702 70.627 1.075 25515 6239 1 12 . 1 1 27 27 THR H H 27 9.089 9.089 8.163 0.926 25515 6240 1 12 . 1 1 28 28 SER N N 28 115.961 115.961 117.415 -1.454 25515 6241 1 12 . 1 1 28 28 SER HA H 28 3.930 3.930 4.035 -0.105 25515 6242 1 12 . 1 1 28 28 SER C C 28 175.440 175.440 175.881 -0.441 25515 6243 1 12 . 1 1 28 28 SER CA C 28 62.515 62.515 62.767 -0.252 25515 6244 1 12 . 1 1 28 28 SER CB C 28 62.713 62.713 62.939 -0.226 25515 6245 1 12 . 1 1 28 28 SER H H 28 9.095 9.095 8.821 0.274 25515 6246 1 12 . 1 1 29 29 ASP N N 29 119.797 119.797 120.758 -0.961 25515 6247 1 12 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.446 -0.043 25515 6248 1 12 . 1 1 29 29 ASP C C 29 173.862 173.862 178.618 -4.756 25515 6249 1 12 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.575 0.208 25515 6250 1 12 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.459 0.592 25515 6251 1 12 . 1 1 29 29 ASP H H 29 8.122 8.122 8.334 -0.212 25515 6252 1 12 . 1 1 30 30 ASP N N 30 120.847 120.847 120.688 0.159 25515 6253 1 12 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.685 -0.338 25515 6254 1 12 . 1 1 30 30 ASP C C 30 172.627 172.627 178.910 -6.283 25515 6255 1 12 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.630 1.059 25515 6256 1 12 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.570 -0.588 25515 6257 1 12 . 1 1 30 30 ASP H H 30 7.851 7.851 8.029 -0.178 25515 6258 1 12 . 1 1 31 31 ILE N N 31 121.776 121.776 121.645 0.131 25515 6259 1 12 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.788 -0.272 25515 6260 1 12 . 1 1 31 31 ILE C C 31 174.709 174.709 178.415 -3.706 25515 6261 1 12 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.046 0.440 25515 6262 1 12 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.957 0.284 25515 6263 1 12 . 1 1 31 31 ILE H H 31 8.122 8.122 8.297 -0.175 25515 6264 1 12 . 1 1 32 32 LYS N N 32 119.510 119.510 119.663 -0.153 25515 6265 1 12 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.520 -0.443 25515 6266 1 12 . 1 1 32 32 LYS C C 32 172.959 172.959 179.036 -6.077 25515 6267 1 12 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.416 1.419 25515 6268 1 12 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.598 -0.094 25515 6269 1 12 . 1 1 32 32 LYS H H 32 8.172 8.172 8.075 0.097 25515 6270 1 12 . 1 1 33 33 LYS N N 33 119.042 119.042 120.361 -1.319 25515 6271 1 12 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.075 -0.107 25515 6272 1 12 . 1 1 33 33 LYS C C 33 172.323 172.323 179.119 -6.796 25515 6273 1 12 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.817 0.189 25515 6274 1 12 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.453 0.260 25515 6275 1 12 . 1 1 33 33 LYS H H 33 8.342 8.342 7.619 0.723 25515 6276 1 12 . 1 1 34 34 SER N N 34 115.060 115.060 115.585 -0.525 25515 6277 1 12 . 1 1 34 34 SER HA H 34 4.260 4.260 4.158 0.102 25515 6278 1 12 . 1 1 34 34 SER C C 34 175.503 175.503 176.214 -0.711 25515 6279 1 12 . 1 1 34 34 SER CA C 34 61.734 61.734 62.143 -0.409 25515 6280 1 12 . 1 1 34 34 SER CB C 34 63.088 63.088 62.946 0.142 25515 6281 1 12 . 1 1 34 34 SER H H 34 8.161 8.161 8.601 -0.440 25515 6282 1 12 . 1 1 35 35 TYR N N 35 119.241 119.241 125.074 -5.833 25515 6283 1 12 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.158 -0.284 25515 6284 1 12 . 1 1 35 35 TYR C C 35 176.352 176.352 177.243 -0.891 25515 6285 1 12 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.577 0.292 25515 6286 1 12 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.326 0.464 25515 6287 1 12 . 1 1 35 35 TYR H H 35 8.499 8.499 7.632 0.867 25515 6288 1 12 . 1 1 36 36 ARG N N 36 116.674 116.674 117.696 -1.022 25515 6289 1 12 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.539 -0.086 25515 6290 1 12 . 1 1 36 36 ARG C C 36 173.135 173.135 178.659 -5.524 25515 6291 1 12 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.516 1.094 25515 6292 1 12 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.301 0.578 25515 6293 1 12 . 1 1 36 36 ARG H H 36 7.967 7.967 7.873 0.094 25515 6294 1 12 . 1 1 37 37 LYS N N 37 116.974 116.974 119.379 -2.405 25515 6295 1 12 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.994 -0.024 25515 6296 1 12 . 1 1 37 37 LYS C C 37 172.489 172.489 179.683 -7.194 25515 6297 1 12 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.418 -0.041 25515 6298 1 12 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.258 0.499 25515 6299 1 12 . 1 1 37 37 LYS H H 37 7.275 7.275 8.066 -0.791 25515 6300 1 12 . 1 1 38 38 LEU N N 38 120.978 120.978 118.672 2.306 25515 6301 1 12 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.328 -0.305 25515 6302 1 12 . 1 1 38 38 LEU C C 38 173.557 173.557 178.386 -4.829 25515 6303 1 12 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.569 0.834 25515 6304 1 12 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.203 0.165 25515 6305 1 12 . 1 1 38 38 LEU H H 38 8.268 8.268 7.896 0.372 25515 6306 1 12 . 1 1 39 39 ALA N N 39 122.700 122.700 123.098 -0.398 25515 6307 1 12 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.848 0.037 25515 6308 1 12 . 1 1 39 39 ALA C C 39 172.721 172.721 179.058 -6.337 25515 6309 1 12 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.377 0.063 25515 6310 1 12 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.218 -1.268 25515 6311 1 12 . 1 1 39 39 ALA H H 39 9.043 9.043 8.422 0.621 25515 6312 1 12 . 1 1 40 40 LEU N N 40 114.462 114.462 114.092 0.370 25515 6313 1 12 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.948 0.084 25515 6314 1 12 . 1 1 40 40 LEU C C 40 173.110 173.110 179.150 -6.040 25515 6315 1 12 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.653 0.656 25515 6316 1 12 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.110 1.924 25515 6317 1 12 . 1 1 40 40 LEU H H 40 6.862 6.862 7.446 -0.584 25515 6318 1 12 . 1 1 41 41 LYS N N 41 118.126 118.126 121.629 -3.503 25515 6319 1 12 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.770 0.072 25515 6320 1 12 . 1 1 41 41 LYS C C 41 173.695 173.695 177.694 -3.999 25515 6321 1 12 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.996 -0.254 25515 6322 1 12 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.276 0.710 25515 6323 1 12 . 1 1 41 41 LYS H H 41 7.135 7.135 7.697 -0.562 25515 6324 1 12 . 1 1 42 42 TYR N N 42 113.902 113.902 113.625 0.277 25515 6325 1 12 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.561 -0.071 25515 6326 1 12 . 1 1 42 42 TYR C C 42 178.884 178.884 174.738 4.146 25515 6327 1 12 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.652 0.361 25515 6328 1 12 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.248 0.262 25515 6329 1 12 . 1 1 42 42 TYR H H 42 7.756 7.756 8.004 -0.248 25515 6330 1 12 . 1 1 43 43 HIS N N 43 120.909 120.909 122.770 -1.861 25515 6331 1 12 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.120 -0.648 25515 6332 1 12 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.147 0.752 25515 6333 1 12 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.313 -0.188 25515 6334 1 12 . 1 1 43 43 HIS H H 43 7.134 7.134 7.728 -0.594 25515 6335 1 12 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.111 -0.113 25515 6336 1 12 . 1 1 44 44 PRO C C 44 172.774 172.774 178.225 -5.451 25515 6337 1 12 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.717 -0.112 25515 6338 1 12 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.608 0.002 25515 6339 1 12 . 1 1 45 45 ASP N N 45 121.379 121.379 116.426 4.953 25515 6340 1 12 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.454 -0.097 25515 6341 1 12 . 1 1 45 45 ASP C C 45 173.968 173.968 176.942 -2.974 25515 6342 1 12 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.279 1.492 25515 6343 1 12 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.662 -0.539 25515 6344 1 12 . 1 1 45 45 ASP H H 45 10.727 10.727 8.237 2.490 25515 6345 1 12 . 1 1 46 46 LYS N N 46 115.902 115.902 117.737 -1.835 25515 6346 1 12 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.250 0.108 25515 6347 1 12 . 1 1 46 46 LYS C C 46 176.450 176.450 176.322 0.128 25515 6348 1 12 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.000 -1.226 25515 6349 1 12 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.157 1.032 25515 6350 1 12 . 1 1 46 46 LYS H H 46 7.475 7.475 8.092 -0.617 25515 6351 1 12 . 1 1 47 47 ASN N N 47 117.709 117.709 119.562 -1.853 25515 6352 1 12 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.033 0.117 25515 6353 1 12 . 1 1 47 47 ASN C C 47 170.657 170.657 173.727 -3.070 25515 6354 1 12 . 1 1 47 47 ASN CA C 47 51.540 51.540 50.889 0.651 25515 6355 1 12 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.396 2.160 25515 6356 1 12 . 1 1 47 47 ASN H H 47 7.410 7.410 7.470 -0.060 25515 6357 1 12 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.522 -0.156 25515 6358 1 12 . 1 1 48 48 PRO C C 48 174.739 174.739 176.400 -1.661 25515 6359 1 12 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.513 1.599 25515 6360 1 12 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.519 -0.995 25515 6361 1 12 . 1 1 49 49 ASP N N 49 117.619 117.619 116.842 0.777 25515 6362 1 12 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.505 -0.128 25515 6363 1 12 . 1 1 49 49 ASP C C 49 177.335 177.335 176.029 1.306 25515 6364 1 12 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.151 -0.566 25515 6365 1 12 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.905 -0.651 25515 6366 1 12 . 1 1 49 49 ASP H H 49 8.679 8.679 8.301 0.378 25515 6367 1 12 . 1 1 50 50 ASN N N 50 114.537 114.537 117.993 -3.456 25515 6368 1 12 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.778 0.422 25515 6369 1 12 . 1 1 50 50 ASN C C 50 178.245 178.245 174.281 3.964 25515 6370 1 12 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.395 -1.260 25515 6371 1 12 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.533 1.043 25515 6372 1 12 . 1 1 50 50 ASN H H 50 7.341 7.341 8.205 -0.864 25515 6373 1 12 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.599 -0.235 25515 6374 1 12 . 1 1 51 51 PRO C C 51 173.714 173.714 177.566 -3.852 25515 6375 1 12 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.055 1.563 25515 6376 1 12 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.053 0.048 25515 6377 1 12 . 1 1 52 52 GLU N N 52 118.597 118.597 121.212 -2.615 25515 6378 1 12 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.114 0.074 25515 6379 1 12 . 1 1 52 52 GLU C C 52 173.216 173.216 177.725 -4.509 25515 6380 1 12 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.107 -1.157 25515 6381 1 12 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.400 -0.201 25515 6382 1 12 . 1 1 52 52 GLU H H 52 8.048 8.048 8.799 -0.751 25515 6383 1 12 . 1 1 53 53 ALA N N 53 122.149 122.149 121.342 0.807 25515 6384 1 12 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.349 -0.375 25515 6385 1 12 . 1 1 53 53 ALA C C 53 173.485 173.485 179.408 -5.923 25515 6386 1 12 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.078 -0.007 25515 6387 1 12 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.137 -0.360 25515 6388 1 12 . 1 1 53 53 ALA H H 53 7.606 7.606 8.254 -0.648 25515 6389 1 12 . 1 1 54 54 ALA N N 54 119.475 119.475 121.309 -1.834 25515 6390 1 12 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.186 0.041 25515 6391 1 12 . 1 1 54 54 ALA C C 54 171.125 171.125 179.178 -8.053 25515 6392 1 12 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.639 0.532 25515 6393 1 12 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.551 -0.704 25515 6394 1 12 . 1 1 54 54 ALA H H 54 7.680 7.680 8.143 -0.463 25515 6395 1 12 . 1 1 55 55 ASP N N 55 120.134 120.134 119.110 1.024 25515 6396 1 12 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.366 0.055 25515 6397 1 12 . 1 1 55 55 ASP C C 55 173.088 173.088 178.659 -5.571 25515 6398 1 12 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.630 -0.224 25515 6399 1 12 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.919 -0.590 25515 6400 1 12 . 1 1 55 55 ASP H H 55 7.983 7.983 8.164 -0.181 25515 6401 1 12 . 1 1 56 56 LYS N N 56 120.915 120.915 119.932 0.983 25515 6402 1 12 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.893 0.017 25515 6403 1 12 . 1 1 56 56 LYS C C 56 173.210 173.210 178.781 -5.571 25515 6404 1 12 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.877 -0.396 25515 6405 1 12 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.697 -0.789 25515 6406 1 12 . 1 1 56 56 LYS H H 56 7.758 7.758 8.184 -0.426 25515 6407 1 12 . 1 1 57 57 PHE N N 57 120.024 120.024 120.227 -0.203 25515 6408 1 12 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.123 -0.118 25515 6409 1 12 . 1 1 57 57 PHE C C 57 174.430 174.430 177.275 -2.845 25515 6410 1 12 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.750 1.790 25515 6411 1 12 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.557 0.531 25515 6412 1 12 . 1 1 57 57 PHE H H 57 8.861 8.861 8.592 0.269 25515 6413 1 12 . 1 1 58 58 LYS N N 58 119.306 119.306 119.775 -0.469 25515 6414 1 12 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.636 0.317 25515 6415 1 12 . 1 1 58 58 LYS C C 58 172.875 172.875 178.501 -5.626 25515 6416 1 12 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.034 -0.173 25515 6417 1 12 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.353 -0.044 25515 6418 1 12 . 1 1 58 58 LYS H H 58 7.846 7.846 8.243 -0.397 25515 6419 1 12 . 1 1 59 59 GLU N N 59 119.732 119.732 118.459 1.273 25515 6420 1 12 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.088 -0.039 25515 6421 1 12 . 1 1 59 59 GLU C C 59 171.935 171.935 179.127 -7.192 25515 6422 1 12 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.064 0.409 25515 6423 1 12 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.218 0.609 25515 6424 1 12 . 1 1 59 59 GLU H H 59 7.732 7.732 8.143 -0.411 25515 6425 1 12 . 1 1 60 60 ILE N N 60 119.074 119.074 121.524 -2.450 25515 6426 1 12 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.701 -0.013 25515 6427 1 12 . 1 1 60 60 ILE C C 60 174.424 174.424 178.273 -3.849 25515 6428 1 12 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.001 -0.727 25515 6429 1 12 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.865 0.582 25515 6430 1 12 . 1 1 60 60 ILE H H 60 8.429 8.429 8.589 -0.160 25515 6431 1 12 . 1 1 61 61 ASN N N 61 120.038 120.038 117.335 2.703 25515 6432 1 12 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.406 -0.105 25515 6433 1 12 . 1 1 61 61 ASN C C 61 174.271 174.271 177.460 -3.189 25515 6434 1 12 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.966 0.590 25515 6435 1 12 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.275 0.008 25515 6436 1 12 . 1 1 61 61 ASN H H 61 8.025 8.025 8.591 -0.566 25515 6437 1 12 . 1 1 62 62 ASN N N 62 119.502 119.502 118.678 0.824 25515 6438 1 12 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.519 -0.209 25515 6439 1 12 . 1 1 62 62 ASN C C 62 176.042 176.042 177.180 -1.138 25515 6440 1 12 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.701 0.847 25515 6441 1 12 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.543 0.178 25515 6442 1 12 . 1 1 62 62 ASN H H 62 8.042 8.042 8.105 -0.063 25515 6443 1 12 . 1 1 63 63 ALA N N 63 119.769 119.769 122.526 -2.757 25515 6444 1 12 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.812 -0.126 25515 6445 1 12 . 1 1 63 63 ALA C C 63 173.564 173.564 179.463 -5.899 25515 6446 1 12 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.893 0.647 25515 6447 1 12 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.046 0.460 25515 6448 1 12 . 1 1 63 63 ALA H H 63 7.944 7.944 8.304 -0.360 25515 6449 1 12 . 1 1 64 64 HIS N N 64 115.292 115.292 118.784 -3.492 25515 6450 1 12 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.195 -0.668 25515 6451 1 12 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.281 1.103 25515 6452 1 12 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.471 0.463 25515 6453 1 12 . 1 1 64 64 HIS H H 64 8.055 8.055 8.354 -0.299 25515 6454 1 12 . 1 1 65 65 ALA N N 65 122.093 122.093 120.499 1.594 25515 6455 1 12 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.122 -0.616 25515 6456 1 12 . 1 1 65 65 ALA C C 65 172.454 172.454 179.389 -6.935 25515 6457 1 12 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.438 1.553 25515 6458 1 12 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.375 -1.237 25515 6459 1 12 . 1 1 65 65 ALA H H 65 7.944 7.944 7.702 0.242 25515 6460 1 12 . 1 1 66 66 ILE N N 66 115.954 115.954 119.057 -3.103 25515 6461 1 12 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.660 -0.202 25515 6462 1 12 . 1 1 66 66 ILE C C 66 175.394 175.394 178.002 -2.608 25515 6463 1 12 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.222 0.386 25515 6464 1 12 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.490 1.499 25515 6465 1 12 . 1 1 66 66 ILE H H 66 7.358 7.358 7.968 -0.610 25515 6466 1 12 . 1 1 67 67 LEU N N 67 111.268 111.268 116.889 -5.621 25515 6467 1 12 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.022 -0.347 25515 6468 1 12 . 1 1 67 67 LEU C C 67 174.490 174.490 178.409 -3.919 25515 6469 1 12 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.192 0.375 25515 6470 1 12 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.743 2.311 25515 6471 1 12 . 1 1 67 67 LEU H H 67 7.743 7.743 7.739 0.004 25515 6472 1 12 . 1 1 68 68 THR N N 68 103.399 103.399 109.660 -6.261 25515 6473 1 12 . 1 1 68 68 THR HA H 68 4.023 4.023 4.276 -0.253 25515 6474 1 12 . 1 1 68 68 THR C C 68 178.796 178.796 173.261 5.535 25515 6475 1 12 . 1 1 68 68 THR CA C 68 61.672 61.672 61.486 0.186 25515 6476 1 12 . 1 1 68 68 THR CB C 68 69.052 69.052 68.670 0.382 25515 6477 1 12 . 1 1 68 68 THR H H 68 7.104 7.104 7.267 -0.163 25515 6478 1 12 . 1 1 69 69 ASP N N 69 125.057 125.057 121.384 3.673 25515 6479 1 12 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.736 -0.035 25515 6480 1 12 . 1 1 69 69 ASP C C 69 177.204 177.204 176.229 0.975 25515 6481 1 12 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.292 0.467 25515 6482 1 12 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.505 -0.754 25515 6483 1 12 . 1 1 69 69 ASP H H 69 7.076 7.076 7.494 -0.418 25515 6484 1 12 . 1 1 70 70 ALA N N 70 128.178 128.178 128.719 -0.541 25515 6485 1 12 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.053 -0.156 25515 6486 1 12 . 1 1 70 70 ALA C C 70 171.909 171.909 179.006 -7.097 25515 6487 1 12 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.148 0.678 25515 6488 1 12 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.564 -0.090 25515 6489 1 12 . 1 1 70 70 ALA H H 70 8.761 8.761 8.719 0.042 25515 6490 1 12 . 1 1 71 71 THR N N 71 113.629 113.629 115.189 -1.560 25515 6491 1 12 . 1 1 71 71 THR HA H 71 3.981 3.981 4.119 -0.138 25515 6492 1 12 . 1 1 71 71 THR C C 71 175.038 175.038 176.817 -1.779 25515 6493 1 12 . 1 1 71 71 THR CA C 71 66.164 66.164 66.024 0.140 25515 6494 1 12 . 1 1 71 71 THR CB C 71 68.319 68.319 68.671 -0.352 25515 6495 1 12 . 1 1 71 71 THR H H 71 7.957 7.957 7.801 0.156 25515 6496 1 12 . 1 1 72 72 LYS N N 72 122.501 122.501 121.166 1.335 25515 6497 1 12 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.051 -0.241 25515 6498 1 12 . 1 1 72 72 LYS C C 72 173.814 173.814 179.067 -5.253 25515 6499 1 12 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.661 0.630 25515 6500 1 12 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.201 0.605 25515 6501 1 12 . 1 1 72 72 LYS H H 72 8.309 8.309 9.212 -0.903 25515 6502 1 12 . 1 1 73 73 ARG N N 73 120.595 120.595 118.742 1.853 25515 6503 1 12 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.165 -0.562 25515 6504 1 12 . 1 1 73 73 ARG C C 73 174.477 174.477 177.992 -3.515 25515 6505 1 12 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.760 2.069 25515 6506 1 12 . 1 1 73 73 ARG H H 73 9.258 9.258 7.656 1.602 25515 6507 1 12 . 1 1 74 74 ASN N N 74 115.425 115.425 119.183 -3.758 25515 6508 1 12 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.449 -0.018 25515 6509 1 12 . 1 1 74 74 ASN C C 74 174.296 174.296 177.757 -3.461 25515 6510 1 12 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.960 -0.250 25515 6511 1 12 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.484 0.246 25515 6512 1 12 . 1 1 74 74 ASN H H 74 7.534 7.534 8.138 -0.604 25515 6513 1 12 . 1 1 75 75 ILE N N 75 119.020 119.020 118.250 0.770 25515 6514 1 12 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.843 -0.210 25515 6515 1 12 . 1 1 75 75 ILE C C 75 174.667 174.667 177.217 -2.550 25515 6516 1 12 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.123 1.382 25515 6517 1 12 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.481 1.744 25515 6518 1 12 . 1 1 75 75 ILE H H 75 7.656 7.656 8.343 -0.687 25515 6519 1 12 . 1 1 76 76 TYR N N 76 121.913 121.913 122.732 -0.819 25515 6520 1 12 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.030 -0.015 25515 6521 1 12 . 1 1 76 76 TYR C C 76 173.323 173.323 177.206 -3.883 25515 6522 1 12 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.046 -0.499 25515 6523 1 12 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.326 0.427 25515 6524 1 12 . 1 1 76 76 TYR H H 76 8.894 8.894 7.795 1.099 25515 6525 1 12 . 1 1 77 77 ASP N N 77 120.151 120.151 117.501 2.650 25515 6526 1 12 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.312 0.025 25515 6527 1 12 . 1 1 77 77 ASP C C 77 174.321 174.321 177.830 -3.509 25515 6528 1 12 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.879 1.040 25515 6529 1 12 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.151 -1.166 25515 6530 1 12 . 1 1 77 77 ASP H H 77 9.151 9.151 8.325 0.826 25515 6531 1 12 . 1 1 78 78 LYS N N 78 117.659 117.659 118.258 -0.599 25515 6532 1 12 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.954 -0.027 25515 6533 1 12 . 1 1 78 78 LYS C C 78 174.237 174.237 177.139 -2.902 25515 6534 1 12 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.519 -0.106 25515 6535 1 12 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.006 0.636 25515 6536 1 12 . 1 1 78 78 LYS H H 78 7.378 7.378 7.720 -0.342 25515 6537 1 12 . 1 1 79 79 TYR N N 79 115.151 115.151 113.879 1.272 25515 6538 1 12 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.751 -0.130 25515 6539 1 12 . 1 1 79 79 TYR C C 79 175.424 175.424 177.630 -2.206 25515 6540 1 12 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.826 -2.253 25515 6541 1 12 . 1 1 79 79 TYR H H 79 8.505 8.505 8.289 0.216 25515 6542 1 12 . 1 1 80 80 GLY N N 80 110.813 110.813 107.489 3.324 25515 6543 1 12 . 1 1 80 80 GLY C C 80 177.481 177.481 175.667 1.814 25515 6544 1 12 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.512 -0.967 25515 6545 1 12 . 1 1 80 80 GLY H H 80 8.222 8.222 8.617 -0.395 25515 6546 1 12 . 1 1 81 81 SER N N 81 117.578 117.578 116.442 1.136 25515 6547 1 12 . 1 1 81 81 SER C C 81 174.532 174.532 176.606 -2.074 25515 6548 1 12 . 1 1 81 81 SER CA C 81 61.579 61.579 61.132 0.447 25515 6549 1 12 . 1 1 81 81 SER H H 81 8.883 8.883 7.986 0.897 25515 6550 1 12 . 1 1 82 82 LEU N N 82 123.998 123.998 120.802 3.196 25515 6551 1 12 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.584 -0.313 25515 6552 1 12 . 1 1 82 82 LEU C C 82 173.400 173.400 178.510 -5.110 25515 6553 1 12 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.443 0.489 25515 6554 1 12 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.739 -0.352 25515 6555 1 12 . 1 1 82 82 LEU H H 82 8.920 8.920 8.145 0.775 25515 6556 1 12 . 1 1 83 83 GLY N N 83 105.677 105.677 107.157 -1.480 25515 6557 1 12 . 1 1 83 83 GLY C C 83 177.230 177.230 176.357 0.873 25515 6558 1 12 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.697 -0.049 25515 6559 1 12 . 1 1 83 83 GLY H H 83 7.565 7.565 8.777 -1.212 25515 6560 1 12 . 1 1 84 84 LEU N N 84 119.542 119.542 123.167 -3.625 25515 6561 1 12 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.232 -0.173 25515 6562 1 12 . 1 1 84 84 LEU C C 84 173.036 173.036 177.944 -4.908 25515 6563 1 12 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.683 -0.250 25515 6564 1 12 . 1 1 84 84 LEU H H 84 7.495 7.495 7.674 -0.179 25515 6565 1 12 . 1 1 85 85 TYR N N 85 121.424 121.424 118.206 3.218 25515 6566 1 12 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.303 -0.045 25515 6567 1 12 . 1 1 85 85 TYR CA C 85 60.970 60.970 61.114 -0.144 25515 6568 1 12 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.758 0.550 25515 6569 1 12 . 1 1 85 85 TYR H H 85 7.894 7.894 7.748 0.146 25515 6570 1 12 . 1 1 86 86 VAL N N 86 120.088 120.088 119.957 0.131 25515 6571 1 12 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.335 -0.059 25515 6572 1 12 . 1 1 86 86 VAL C C 86 174.300 174.300 177.401 -3.101 25515 6573 1 12 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.329 1.980 25515 6574 1 12 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.107 0.567 25515 6575 1 12 . 1 1 86 86 VAL H H 86 8.402 8.402 8.172 0.230 25515 6576 1 12 . 1 1 87 87 ALA N N 87 121.800 121.800 122.540 -0.740 25515 6577 1 12 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.126 -0.389 25515 6578 1 12 . 1 1 87 87 ALA C C 87 172.312 172.312 179.313 -7.001 25515 6579 1 12 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.017 -0.574 25515 6580 1 12 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.378 0.022 25515 6581 1 12 . 1 1 87 87 ALA H H 87 8.317 8.317 7.794 0.523 25515 6582 1 12 . 1 1 88 88 GLU N N 88 118.012 118.012 117.621 0.391 25515 6583 1 12 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.943 -0.068 25515 6584 1 12 . 1 1 88 88 GLU C C 88 174.071 174.071 179.218 -5.147 25515 6585 1 12 . 1 1 88 88 GLU CA C 88 58.766 58.766 59.020 -0.254 25515 6586 1 12 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.720 -0.171 25515 6587 1 12 . 1 1 88 88 GLU H H 88 7.777 7.777 7.921 -0.144 25515 6588 1 12 . 1 1 89 89 GLN N N 89 116.164 116.164 116.794 -0.630 25515 6589 1 12 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.115 -0.404 25515 6590 1 12 . 1 1 89 89 GLN C C 89 174.572 174.572 177.751 -3.179 25515 6591 1 12 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.770 -0.726 25515 6592 1 12 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.332 -0.668 25515 6593 1 12 . 1 1 89 89 GLN H H 89 7.704 7.704 7.587 0.117 25515 6594 1 12 . 1 1 90 90 PHE N N 90 114.734 114.734 117.444 -2.710 25515 6595 1 12 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.468 0.242 25515 6596 1 12 . 1 1 90 90 PHE C C 90 175.715 175.715 175.961 -0.246 25515 6597 1 12 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.232 -1.827 25515 6598 1 12 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.155 0.048 25515 6599 1 12 . 1 1 90 90 PHE H H 90 8.241 8.241 8.279 -0.038 25515 6600 1 12 . 1 1 91 91 GLY N N 91 111.234 111.234 106.808 4.426 25515 6601 1 12 . 1 1 91 91 GLY C C 91 176.788 176.788 174.250 2.538 25515 6602 1 12 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.751 0.419 25515 6603 1 12 . 1 1 91 91 GLY H H 91 7.668 7.668 7.422 0.246 25515 6604 1 12 . 1 1 92 92 GLU N N 92 123.392 123.392 124.729 -1.337 25515 6605 1 12 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.855 -0.013 25515 6606 1 12 . 1 1 92 92 GLU C C 92 174.798 174.798 177.996 -3.198 25515 6607 1 12 . 1 1 92 92 GLU CA C 92 59.258 59.258 60.239 -0.981 25515 6608 1 12 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.774 -0.156 25515 6609 1 12 . 1 1 92 92 GLU H H 92 8.793 8.793 8.736 0.057 25515 6610 1 12 . 1 1 93 93 GLU N N 93 118.621 118.621 116.452 2.169 25515 6611 1 12 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.135 0.050 25515 6612 1 12 . 1 1 93 93 GLU C C 93 175.143 175.143 177.300 -2.157 25515 6613 1 12 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.383 -0.498 25515 6614 1 12 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.807 0.260 25515 6615 1 12 . 1 1 93 93 GLU H H 93 9.356 9.356 8.754 0.602 25515 6616 1 12 . 1 1 94 94 ASN N N 94 116.563 116.563 118.003 -1.440 25515 6617 1 12 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.812 0.099 25515 6618 1 12 . 1 1 94 94 ASN C C 94 176.192 176.192 177.699 -1.507 25515 6619 1 12 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.572 -1.261 25515 6620 1 12 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.697 0.047 25515 6621 1 12 . 1 1 94 94 ASN H H 94 7.881 7.881 7.727 0.154 25515 6622 1 12 . 1 1 95 95 VAL N N 95 119.858 119.858 118.717 1.141 25515 6623 1 12 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.676 0.064 25515 6624 1 12 . 1 1 95 95 VAL C C 95 175.715 175.715 176.891 -1.176 25515 6625 1 12 . 1 1 95 95 VAL CA C 95 65.498 65.498 67.043 -1.544 25515 6626 1 12 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.440 0.526 25515 6627 1 12 . 1 1 95 95 VAL H H 95 7.405 7.405 8.346 -0.941 25515 6628 1 12 . 1 1 96 96 ASN N N 96 116.409 116.409 117.030 -0.621 25515 6629 1 12 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.582 -0.124 25515 6630 1 12 . 1 1 96 96 ASN C C 96 175.322 175.322 176.726 -1.404 25515 6631 1 12 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.559 0.159 25515 6632 1 12 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.269 -0.053 25515 6633 1 12 . 1 1 96 96 ASN H H 96 8.356 8.356 8.214 0.142 25515 6634 1 12 . 1 1 97 97 THR N N 97 111.266 111.266 113.616 -2.350 25515 6635 1 12 . 1 1 97 97 THR HA H 97 3.993 3.993 4.116 -0.123 25515 6636 1 12 . 1 1 97 97 THR C C 97 177.418 177.418 175.522 1.896 25515 6637 1 12 . 1 1 97 97 THR CA C 97 63.604 63.604 65.357 -1.753 25515 6638 1 12 . 1 1 97 97 THR CB C 97 69.162 69.162 69.093 0.069 25515 6639 1 12 . 1 1 97 97 THR H H 97 7.575 7.575 8.271 -0.696 25515 6640 1 12 . 1 1 98 98 TYR N N 98 119.963 119.963 121.232 -1.269 25515 6641 1 12 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.365 -0.043 25515 6642 1 12 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.416 -0.218 25515 6643 1 12 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.561 -0.317 25515 6644 1 12 . 1 1 98 98 TYR H H 98 7.480 7.480 7.848 -0.368 25515 6645 1 12 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.351 0.209 25515 6646 1 12 . 1 1 99 99 PHE C C 99 177.317 177.317 175.397 1.920 25515 6647 1 12 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.723 0.270 25515 6648 1 12 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.071 0.571 25515 6649 1 13 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.284 0.007 25515 6650 1 13 . 1 1 2 2 ALA C C 2 175.019 175.019 176.519 -1.500 25515 6651 1 13 . 1 1 2 2 ALA CA C 2 52.571 52.571 52.313 0.258 25515 6652 1 13 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.353 -0.234 25515 6653 1 13 . 1 1 3 3 ASP N N 3 120.192 120.192 122.643 -2.451 25515 6654 1 13 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.579 -0.094 25515 6655 1 13 . 1 1 3 3 ASP C C 3 175.549 175.549 175.608 -0.059 25515 6656 1 13 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.566 -0.314 25515 6657 1 13 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.346 -0.114 25515 6658 1 13 . 1 1 3 3 ASP H H 3 8.336 8.336 8.391 -0.055 25515 6659 1 13 . 1 1 4 4 GLN N N 4 121.286 121.286 122.426 -1.140 25515 6660 1 13 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.612 -0.410 25515 6661 1 13 . 1 1 4 4 GLN C C 4 175.579 175.579 175.921 -0.342 25515 6662 1 13 . 1 1 4 4 GLN CA C 4 56.326 56.326 54.166 2.160 25515 6663 1 13 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.265 -1.148 25515 6664 1 13 . 1 1 4 4 GLN H H 4 8.404 8.404 8.415 -0.011 25515 6665 1 13 . 1 1 5 5 ARG N N 5 121.138 121.138 118.498 2.640 25515 6666 1 13 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.110 0.054 25515 6667 1 13 . 1 1 5 5 ARG C C 5 175.327 175.327 176.412 -1.085 25515 6668 1 13 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.994 -0.218 25515 6669 1 13 . 1 1 5 5 ARG CB C 5 30.511 30.511 29.466 1.045 25515 6670 1 13 . 1 1 5 5 ARG H H 5 8.281 8.281 8.602 -0.321 25515 6671 1 13 . 1 1 6 6 GLN N N 6 120.348 120.348 119.735 0.613 25515 6672 1 13 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.286 -0.097 25515 6673 1 13 . 1 1 6 6 GLN C C 6 175.838 175.838 176.015 -0.177 25515 6674 1 13 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.645 0.563 25515 6675 1 13 . 1 1 6 6 GLN CB C 6 29.131 29.131 29.419 -0.287 25515 6676 1 13 . 1 1 6 6 GLN H H 6 8.253 8.253 7.949 0.304 25515 6677 1 13 . 1 1 7 7 ARG N N 7 121.761 121.761 123.216 -1.455 25515 6678 1 13 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.184 0.057 25515 6679 1 13 . 1 1 7 7 ARG C C 7 175.708 175.708 178.003 -2.295 25515 6680 1 13 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.911 -2.575 25515 6681 1 13 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.019 0.752 25515 6682 1 13 . 1 1 7 7 ARG H H 7 8.211 8.211 8.710 -0.499 25515 6683 1 13 . 1 1 8 8 SER N N 8 116.450 116.450 115.240 1.210 25515 6684 1 13 . 1 1 8 8 SER HA H 8 4.384 4.384 4.346 0.038 25515 6685 1 13 . 1 1 8 8 SER C C 8 177.569 177.569 175.308 2.261 25515 6686 1 13 . 1 1 8 8 SER CA C 8 58.298 58.298 60.431 -2.133 25515 6687 1 13 . 1 1 8 8 SER CB C 8 63.786 63.786 62.330 1.456 25515 6688 1 13 . 1 1 8 8 SER H H 8 8.220 8.220 8.675 -0.455 25515 6689 1 13 . 1 1 9 9 LEU N N 9 123.709 123.709 115.673 8.036 25515 6690 1 13 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.621 -0.267 25515 6691 1 13 . 1 1 9 9 LEU C C 9 174.915 174.915 177.833 -2.918 25515 6692 1 13 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.422 -0.446 25515 6693 1 13 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.325 1.353 25515 6694 1 13 . 1 1 9 9 LEU H H 9 8.091 8.091 7.764 0.327 25515 6695 1 13 . 1 1 10 10 SER N N 10 115.478 115.478 115.797 -0.319 25515 6696 1 13 . 1 1 10 10 SER HA H 10 4.561 4.561 4.282 0.279 25515 6697 1 13 . 1 1 10 10 SER C C 10 177.096 177.096 175.539 1.557 25515 6698 1 13 . 1 1 10 10 SER CA C 10 58.016 58.016 60.467 -2.451 25515 6699 1 13 . 1 1 10 10 SER CB C 10 64.062 64.062 63.687 0.375 25515 6700 1 13 . 1 1 10 10 SER H H 10 8.187 8.187 7.950 0.237 25515 6701 1 13 . 1 1 11 11 THR N N 11 114.393 114.393 114.900 -0.507 25515 6702 1 13 . 1 1 11 11 THR HA H 11 4.516 4.516 4.439 0.077 25515 6703 1 13 . 1 1 11 11 THR C C 11 177.232 177.232 175.037 2.195 25515 6704 1 13 . 1 1 11 11 THR CA C 11 61.740 61.740 61.569 0.171 25515 6705 1 13 . 1 1 11 11 THR CB C 11 69.478 69.478 70.023 -0.545 25515 6706 1 13 . 1 1 11 11 THR H H 11 8.180 8.180 7.603 0.577 25515 6707 1 13 . 1 1 12 12 SER N N 12 117.125 117.125 120.119 -2.994 25515 6708 1 13 . 1 1 12 12 SER HA H 12 4.391 4.391 4.269 0.122 25515 6709 1 13 . 1 1 12 12 SER C C 12 176.856 176.856 175.649 1.207 25515 6710 1 13 . 1 1 12 12 SER CA C 12 58.537 58.537 58.799 -0.262 25515 6711 1 13 . 1 1 12 12 SER CB C 12 63.915 63.915 63.012 0.903 25515 6712 1 13 . 1 1 12 12 SER H H 12 8.171 8.171 8.651 -0.480 25515 6713 1 13 . 1 1 13 13 GLY N N 13 111.544 111.544 109.407 2.137 25515 6714 1 13 . 1 1 13 13 GLY C C 13 178.243 178.243 173.610 4.633 25515 6715 1 13 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.983 0.497 25515 6716 1 13 . 1 1 13 13 GLY H H 13 8.381 8.381 8.348 0.033 25515 6717 1 13 . 1 1 14 14 GLU N N 14 119.223 119.223 119.944 -0.721 25515 6718 1 13 . 1 1 14 14 GLU HA H 14 4.440 4.440 5.690 -1.250 25515 6719 1 13 . 1 1 14 14 GLU C C 14 174.876 174.876 176.044 -1.168 25515 6720 1 13 . 1 1 14 14 GLU CA C 14 56.424 56.424 54.757 1.667 25515 6721 1 13 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.541 -0.563 25515 6722 1 13 . 1 1 14 14 GLU H H 14 8.149 8.149 7.871 0.278 25515 6723 1 13 . 1 1 15 15 SER N N 15 117.752 117.752 119.779 -2.027 25515 6724 1 13 . 1 1 15 15 SER H H 15 8.437 8.437 8.857 -0.420 25515 6725 1 13 . 1 1 16 16 LEU N N 16 121.072 121.072 122.652 -1.580 25515 6726 1 13 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.091 -0.230 25515 6727 1 13 . 1 1 16 16 LEU C C 16 174.423 174.423 178.891 -4.468 25515 6728 1 13 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.816 -0.391 25515 6729 1 13 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.280 0.396 25515 6730 1 13 . 1 1 16 16 LEU H H 16 8.233 8.233 8.456 -0.223 25515 6731 1 13 . 1 1 17 17 TYR N N 17 111.961 111.961 115.968 -4.007 25515 6732 1 13 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.076 -0.414 25515 6733 1 13 . 1 1 17 17 TYR C C 17 173.256 173.256 178.052 -4.796 25515 6734 1 13 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.447 -0.581 25515 6735 1 13 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.553 -0.146 25515 6736 1 13 . 1 1 17 17 TYR H H 17 6.929 6.929 7.958 -1.029 25515 6737 1 13 . 1 1 18 18 HIS N N 18 119.254 119.254 116.116 3.138 25515 6738 1 13 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.379 0.060 25515 6739 1 13 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.326 0.588 25515 6740 1 13 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.064 -0.449 25515 6741 1 13 . 1 1 18 18 HIS H H 18 7.672 7.672 8.286 -0.614 25515 6742 1 13 . 1 1 19 19 VAL N N 19 120.746 120.746 117.982 2.764 25515 6743 1 13 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.837 -0.132 25515 6744 1 13 . 1 1 19 19 VAL C C 19 175.643 175.643 176.754 -1.111 25515 6745 1 13 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.629 -0.096 25515 6746 1 13 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.324 0.141 25515 6747 1 13 . 1 1 19 19 VAL H H 19 7.883 7.883 7.513 0.370 25515 6748 1 13 . 1 1 20 20 LEU N N 20 114.576 114.576 118.214 -3.638 25515 6749 1 13 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.299 0.062 25515 6750 1 13 . 1 1 20 20 LEU C C 20 175.746 175.746 177.424 -1.678 25515 6751 1 13 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.455 -2.174 25515 6752 1 13 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.533 0.367 25515 6753 1 13 . 1 1 20 20 LEU H H 20 6.626 6.626 7.225 -0.599 25515 6754 1 13 . 1 1 21 21 GLY N N 21 109.239 109.239 106.908 2.331 25515 6755 1 13 . 1 1 21 21 GLY C C 21 177.637 177.637 174.687 2.950 25515 6756 1 13 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.636 0.647 25515 6757 1 13 . 1 1 21 21 GLY H H 21 7.991 7.991 8.017 -0.026 25515 6758 1 13 . 1 1 22 22 LEU N N 22 119.495 119.495 115.745 3.750 25515 6759 1 13 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.872 -0.105 25515 6760 1 13 . 1 1 22 22 LEU C C 22 177.306 177.306 175.694 1.612 25515 6761 1 13 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.901 -0.019 25515 6762 1 13 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.493 2.414 25515 6763 1 13 . 1 1 22 22 LEU H H 22 7.765 7.765 7.438 0.327 25515 6764 1 13 . 1 1 23 23 ASP N N 23 118.518 118.518 118.600 -0.082 25515 6765 1 13 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.765 -0.176 25515 6766 1 13 . 1 1 23 23 ASP C C 23 176.597 176.597 177.871 -1.274 25515 6767 1 13 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.233 -1.202 25515 6768 1 13 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.885 0.596 25515 6769 1 13 . 1 1 23 23 ASP H H 23 7.977 7.977 8.493 -0.516 25515 6770 1 13 . 1 1 24 24 LYS N N 24 115.499 115.499 118.377 -2.878 25515 6771 1 13 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.219 -1.067 25515 6772 1 13 . 1 1 24 24 LYS C C 24 176.231 176.231 176.458 -0.227 25515 6773 1 13 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.925 -0.858 25515 6774 1 13 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.865 0.497 25515 6775 1 13 . 1 1 24 24 LYS H H 24 7.811 7.811 8.626 -0.815 25515 6776 1 13 . 1 1 25 25 ASN N N 25 115.622 115.622 115.193 0.429 25515 6777 1 13 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.665 -0.140 25515 6778 1 13 . 1 1 25 25 ASN C C 25 176.698 176.698 175.666 1.032 25515 6779 1 13 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.226 0.647 25515 6780 1 13 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.501 -0.427 25515 6781 1 13 . 1 1 25 25 ASN H H 25 7.817 7.817 7.626 0.191 25515 6782 1 13 . 1 1 26 26 ALA N N 26 122.970 122.970 124.027 -1.057 25515 6783 1 13 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.325 0.034 25515 6784 1 13 . 1 1 26 26 ALA C C 26 173.847 173.847 176.811 -2.964 25515 6785 1 13 . 1 1 26 26 ALA CA C 26 52.917 52.917 53.208 -0.291 25515 6786 1 13 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.673 1.294 25515 6787 1 13 . 1 1 26 26 ALA H H 26 7.646 7.646 7.434 0.212 25515 6788 1 13 . 1 1 27 27 THR N N 27 113.252 113.252 113.817 -0.565 25515 6789 1 13 . 1 1 27 27 THR HA H 27 4.657 4.657 4.459 0.198 25515 6790 1 13 . 1 1 27 27 THR C C 27 175.986 175.986 176.099 -0.113 25515 6791 1 13 . 1 1 27 27 THR CA C 27 60.427 60.427 60.543 -0.116 25515 6792 1 13 . 1 1 27 27 THR CB C 27 71.702 71.702 70.967 0.735 25515 6793 1 13 . 1 1 27 27 THR H H 27 9.089 9.089 8.115 0.974 25515 6794 1 13 . 1 1 28 28 SER N N 28 115.961 115.961 117.829 -1.868 25515 6795 1 13 . 1 1 28 28 SER HA H 28 3.930 3.930 4.000 -0.070 25515 6796 1 13 . 1 1 28 28 SER C C 28 175.440 175.440 176.093 -0.653 25515 6797 1 13 . 1 1 28 28 SER CA C 28 62.515 62.515 63.110 -0.595 25515 6798 1 13 . 1 1 28 28 SER CB C 28 62.713 62.713 63.046 -0.333 25515 6799 1 13 . 1 1 28 28 SER H H 28 9.095 9.095 8.770 0.325 25515 6800 1 13 . 1 1 29 29 ASP N N 29 119.797 119.797 120.629 -0.832 25515 6801 1 13 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.407 -0.004 25515 6802 1 13 . 1 1 29 29 ASP C C 29 173.862 173.862 177.986 -4.124 25515 6803 1 13 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.321 0.463 25515 6804 1 13 . 1 1 29 29 ASP CB C 29 41.051 41.051 41.029 0.022 25515 6805 1 13 . 1 1 29 29 ASP H H 29 8.122 8.122 8.318 -0.196 25515 6806 1 13 . 1 1 30 30 ASP N N 30 120.847 120.847 119.138 1.709 25515 6807 1 13 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.616 -0.269 25515 6808 1 13 . 1 1 30 30 ASP C C 30 172.627 172.627 178.872 -6.245 25515 6809 1 13 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.790 0.899 25515 6810 1 13 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.101 -0.119 25515 6811 1 13 . 1 1 30 30 ASP H H 30 7.851 7.851 7.709 0.142 25515 6812 1 13 . 1 1 31 31 ILE N N 31 121.776 121.776 120.762 1.014 25515 6813 1 13 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.662 -0.146 25515 6814 1 13 . 1 1 31 31 ILE C C 31 174.709 174.709 178.133 -3.424 25515 6815 1 13 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.416 0.070 25515 6816 1 13 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.990 0.251 25515 6817 1 13 . 1 1 31 31 ILE H H 31 8.122 8.122 8.261 -0.139 25515 6818 1 13 . 1 1 32 32 LYS N N 32 119.510 119.510 119.971 -0.461 25515 6819 1 13 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.494 -0.417 25515 6820 1 13 . 1 1 32 32 LYS C C 32 172.959 172.959 179.283 -6.324 25515 6821 1 13 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.466 1.369 25515 6822 1 13 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.616 -0.112 25515 6823 1 13 . 1 1 32 32 LYS H H 32 8.172 8.172 7.958 0.214 25515 6824 1 13 . 1 1 33 33 LYS N N 33 119.042 119.042 120.279 -1.237 25515 6825 1 13 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.060 -0.092 25515 6826 1 13 . 1 1 33 33 LYS C C 33 172.323 172.323 179.018 -6.695 25515 6827 1 13 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.716 0.290 25515 6828 1 13 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.279 0.434 25515 6829 1 13 . 1 1 33 33 LYS H H 33 8.342 8.342 7.809 0.533 25515 6830 1 13 . 1 1 34 34 SER N N 34 115.060 115.060 115.088 -0.028 25515 6831 1 13 . 1 1 34 34 SER HA H 34 4.260 4.260 4.210 0.050 25515 6832 1 13 . 1 1 34 34 SER C C 34 175.503 175.503 176.232 -0.729 25515 6833 1 13 . 1 1 34 34 SER CA C 34 61.734 61.734 61.410 0.324 25515 6834 1 13 . 1 1 34 34 SER CB C 34 63.088 63.088 62.860 0.228 25515 6835 1 13 . 1 1 34 34 SER H H 34 8.161 8.161 8.335 -0.174 25515 6836 1 13 . 1 1 35 35 TYR N N 35 119.241 119.241 123.203 -3.962 25515 6837 1 13 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.176 -0.302 25515 6838 1 13 . 1 1 35 35 TYR C C 35 176.352 176.352 177.379 -1.027 25515 6839 1 13 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.752 0.117 25515 6840 1 13 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.326 0.464 25515 6841 1 13 . 1 1 35 35 TYR H H 35 8.499 8.499 7.813 0.686 25515 6842 1 13 . 1 1 36 36 ARG N N 36 116.674 116.674 117.930 -1.256 25515 6843 1 13 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.543 -0.090 25515 6844 1 13 . 1 1 36 36 ARG C C 36 173.135 173.135 178.610 -5.475 25515 6845 1 13 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.606 1.004 25515 6846 1 13 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.376 0.503 25515 6847 1 13 . 1 1 36 36 ARG H H 36 7.967 7.967 7.847 0.120 25515 6848 1 13 . 1 1 37 37 LYS N N 37 116.974 116.974 119.210 -2.236 25515 6849 1 13 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.979 -0.009 25515 6850 1 13 . 1 1 37 37 LYS C C 37 172.489 172.489 179.615 -7.126 25515 6851 1 13 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.410 -0.033 25515 6852 1 13 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.203 0.554 25515 6853 1 13 . 1 1 37 37 LYS H H 37 7.275 7.275 8.108 -0.833 25515 6854 1 13 . 1 1 38 38 LEU N N 38 120.978 120.978 118.665 2.313 25515 6855 1 13 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.254 -0.231 25515 6856 1 13 . 1 1 38 38 LEU C C 38 173.557 173.557 178.253 -4.696 25515 6857 1 13 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.578 0.826 25515 6858 1 13 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.094 0.274 25515 6859 1 13 . 1 1 38 38 LEU H H 38 8.268 8.268 7.539 0.729 25515 6860 1 13 . 1 1 39 39 ALA N N 39 122.700 122.700 122.961 -0.261 25515 6861 1 13 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.387 0.498 25515 6862 1 13 . 1 1 39 39 ALA C C 39 172.721 172.721 178.712 -5.991 25515 6863 1 13 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.075 0.365 25515 6864 1 13 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.106 -1.156 25515 6865 1 13 . 1 1 39 39 ALA H H 39 9.043 9.043 8.217 0.826 25515 6866 1 13 . 1 1 40 40 LEU N N 40 114.462 114.462 113.888 0.574 25515 6867 1 13 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.023 0.009 25515 6868 1 13 . 1 1 40 40 LEU C C 40 173.110 173.110 179.142 -6.032 25515 6869 1 13 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.622 0.687 25515 6870 1 13 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.139 1.895 25515 6871 1 13 . 1 1 40 40 LEU H H 40 6.862 6.862 7.481 -0.619 25515 6872 1 13 . 1 1 41 41 LYS N N 41 118.126 118.126 121.185 -3.059 25515 6873 1 13 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.870 -0.028 25515 6874 1 13 . 1 1 41 41 LYS C C 41 173.695 173.695 177.628 -3.933 25515 6875 1 13 . 1 1 41 41 LYS CA C 41 58.742 58.742 58.966 -0.224 25515 6876 1 13 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.413 0.574 25515 6877 1 13 . 1 1 41 41 LYS H H 41 7.135 7.135 7.607 -0.472 25515 6878 1 13 . 1 1 42 42 TYR N N 42 113.902 113.902 114.640 -0.738 25515 6879 1 13 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.628 -0.138 25515 6880 1 13 . 1 1 42 42 TYR C C 42 178.884 178.884 174.504 4.380 25515 6881 1 13 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.342 0.671 25515 6882 1 13 . 1 1 42 42 TYR CB C 42 38.510 38.510 37.491 1.019 25515 6883 1 13 . 1 1 42 42 TYR H H 42 7.756 7.756 7.965 -0.209 25515 6884 1 13 . 1 1 43 43 HIS N N 43 120.909 120.909 122.704 -1.795 25515 6885 1 13 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.432 -0.960 25515 6886 1 13 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.209 0.690 25515 6887 1 13 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.160 -0.035 25515 6888 1 13 . 1 1 43 43 HIS H H 43 7.134 7.134 7.607 -0.473 25515 6889 1 13 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.140 -0.142 25515 6890 1 13 . 1 1 44 44 PRO C C 44 172.774 172.774 178.516 -5.742 25515 6891 1 13 . 1 1 44 44 PRO CA C 44 65.605 65.605 66.210 -0.605 25515 6892 1 13 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.783 -0.173 25515 6893 1 13 . 1 1 45 45 ASP N N 45 121.379 121.379 114.662 6.717 25515 6894 1 13 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.506 -0.149 25515 6895 1 13 . 1 1 45 45 ASP C C 45 173.968 173.968 177.202 -3.234 25515 6896 1 13 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.810 1.961 25515 6897 1 13 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.706 -0.583 25515 6898 1 13 . 1 1 45 45 ASP H H 45 10.727 10.727 8.568 2.159 25515 6899 1 13 . 1 1 46 46 LYS N N 46 115.902 115.902 117.768 -1.866 25515 6900 1 13 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.187 0.171 25515 6901 1 13 . 1 1 46 46 LYS C C 46 176.450 176.450 176.741 -0.291 25515 6902 1 13 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.890 -2.116 25515 6903 1 13 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.625 0.564 25515 6904 1 13 . 1 1 46 46 LYS H H 46 7.475 7.475 8.147 -0.672 25515 6905 1 13 . 1 1 47 47 ASN N N 47 117.709 117.709 118.451 -0.742 25515 6906 1 13 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.161 -0.011 25515 6907 1 13 . 1 1 47 47 ASN C C 47 170.657 170.657 173.119 -2.462 25515 6908 1 13 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.117 0.423 25515 6909 1 13 . 1 1 47 47 ASN CB C 47 41.556 41.556 38.954 2.602 25515 6910 1 13 . 1 1 47 47 ASN H H 47 7.410 7.410 7.509 -0.099 25515 6911 1 13 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.493 -0.127 25515 6912 1 13 . 1 1 48 48 PRO C C 48 174.739 174.739 176.224 -1.485 25515 6913 1 13 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.775 1.337 25515 6914 1 13 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.539 -1.015 25515 6915 1 13 . 1 1 49 49 ASP N N 49 117.619 117.619 117.203 0.416 25515 6916 1 13 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.496 -0.119 25515 6917 1 13 . 1 1 49 49 ASP C C 49 177.335 177.335 175.962 1.373 25515 6918 1 13 . 1 1 49 49 ASP CA C 49 54.585 54.585 54.906 -0.321 25515 6919 1 13 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.112 -0.858 25515 6920 1 13 . 1 1 49 49 ASP H H 49 8.679 8.679 8.454 0.225 25515 6921 1 13 . 1 1 50 50 ASN N N 50 114.537 114.537 118.393 -3.856 25515 6922 1 13 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.649 0.551 25515 6923 1 13 . 1 1 50 50 ASN C C 50 178.245 178.245 175.164 3.081 25515 6924 1 13 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.426 -2.291 25515 6925 1 13 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.111 1.465 25515 6926 1 13 . 1 1 50 50 ASN H H 50 7.341 7.341 8.003 -0.662 25515 6927 1 13 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.466 -0.102 25515 6928 1 13 . 1 1 51 51 PRO C C 51 173.714 173.714 177.926 -4.212 25515 6929 1 13 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.638 0.980 25515 6930 1 13 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.031 0.070 25515 6931 1 13 . 1 1 52 52 GLU N N 52 118.597 118.597 120.896 -2.299 25515 6932 1 13 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.100 0.088 25515 6933 1 13 . 1 1 52 52 GLU C C 52 173.216 173.216 177.821 -4.605 25515 6934 1 13 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.047 -1.097 25515 6935 1 13 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.345 -0.146 25515 6936 1 13 . 1 1 52 52 GLU H H 52 8.048 8.048 8.822 -0.774 25515 6937 1 13 . 1 1 53 53 ALA N N 53 122.149 122.149 121.272 0.877 25515 6938 1 13 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.203 -0.229 25515 6939 1 13 . 1 1 53 53 ALA C C 53 173.485 173.485 179.254 -5.769 25515 6940 1 13 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.950 0.121 25515 6941 1 13 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.354 -0.577 25515 6942 1 13 . 1 1 53 53 ALA H H 53 7.606 7.606 7.787 -0.181 25515 6943 1 13 . 1 1 54 54 ALA N N 54 119.475 119.475 121.657 -2.182 25515 6944 1 13 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.071 0.156 25515 6945 1 13 . 1 1 54 54 ALA C C 54 171.125 171.125 179.159 -8.034 25515 6946 1 13 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.892 0.279 25515 6947 1 13 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.451 -0.604 25515 6948 1 13 . 1 1 54 54 ALA H H 54 7.680 7.680 8.194 -0.514 25515 6949 1 13 . 1 1 55 55 ASP N N 55 120.134 120.134 119.001 1.133 25515 6950 1 13 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.331 0.090 25515 6951 1 13 . 1 1 55 55 ASP C C 55 173.088 173.088 178.657 -5.569 25515 6952 1 13 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.744 -0.338 25515 6953 1 13 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.950 -0.621 25515 6954 1 13 . 1 1 55 55 ASP H H 55 7.983 7.983 8.184 -0.201 25515 6955 1 13 . 1 1 56 56 LYS N N 56 120.915 120.915 119.771 1.144 25515 6956 1 13 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.881 0.029 25515 6957 1 13 . 1 1 56 56 LYS C C 56 173.210 173.210 178.834 -5.624 25515 6958 1 13 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.742 -0.262 25515 6959 1 13 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.589 -0.681 25515 6960 1 13 . 1 1 56 56 LYS H H 56 7.758 7.758 7.997 -0.239 25515 6961 1 13 . 1 1 57 57 PHE N N 57 120.024 120.024 119.947 0.077 25515 6962 1 13 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.119 -0.114 25515 6963 1 13 . 1 1 57 57 PHE C C 57 174.430 174.430 177.402 -2.972 25515 6964 1 13 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.355 2.185 25515 6965 1 13 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.457 0.631 25515 6966 1 13 . 1 1 57 57 PHE H H 57 8.861 8.861 8.628 0.233 25515 6967 1 13 . 1 1 58 58 LYS N N 58 119.306 119.306 119.901 -0.595 25515 6968 1 13 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.822 0.131 25515 6969 1 13 . 1 1 58 58 LYS C C 58 172.875 172.875 178.552 -5.677 25515 6970 1 13 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.158 -0.298 25515 6971 1 13 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.419 -0.110 25515 6972 1 13 . 1 1 58 58 LYS H H 58 7.846 7.846 8.361 -0.515 25515 6973 1 13 . 1 1 59 59 GLU N N 59 119.732 119.732 118.868 0.864 25515 6974 1 13 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.137 -0.088 25515 6975 1 13 . 1 1 59 59 GLU C C 59 171.935 171.935 179.113 -7.178 25515 6976 1 13 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.101 0.372 25515 6977 1 13 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.230 0.597 25515 6978 1 13 . 1 1 59 59 GLU H H 59 7.732 7.732 8.211 -0.479 25515 6979 1 13 . 1 1 60 60 ILE N N 60 119.074 119.074 121.490 -2.416 25515 6980 1 13 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.692 -0.004 25515 6981 1 13 . 1 1 60 60 ILE C C 60 174.424 174.424 178.281 -3.857 25515 6982 1 13 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.100 -0.826 25515 6983 1 13 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.804 0.643 25515 6984 1 13 . 1 1 60 60 ILE H H 60 8.429 8.429 8.504 -0.075 25515 6985 1 13 . 1 1 61 61 ASN N N 61 120.038 120.038 117.926 2.112 25515 6986 1 13 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.448 -0.147 25515 6987 1 13 . 1 1 61 61 ASN C C 61 174.271 174.271 177.655 -3.384 25515 6988 1 13 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.302 0.254 25515 6989 1 13 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.369 -0.086 25515 6990 1 13 . 1 1 61 61 ASN H H 61 8.025 8.025 8.703 -0.678 25515 6991 1 13 . 1 1 62 62 ASN N N 62 119.502 119.502 118.863 0.639 25515 6992 1 13 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.496 -0.186 25515 6993 1 13 . 1 1 62 62 ASN C C 62 176.042 176.042 177.347 -1.305 25515 6994 1 13 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.916 0.631 25515 6995 1 13 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.431 0.290 25515 6996 1 13 . 1 1 62 62 ASN H H 62 8.042 8.042 8.176 -0.134 25515 6997 1 13 . 1 1 63 63 ALA N N 63 119.769 119.769 122.164 -2.395 25515 6998 1 13 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.846 -0.160 25515 6999 1 13 . 1 1 63 63 ALA C C 63 173.564 173.564 179.542 -5.978 25515 7000 1 13 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.938 0.602 25515 7001 1 13 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.052 0.454 25515 7002 1 13 . 1 1 63 63 ALA H H 63 7.944 7.944 8.311 -0.367 25515 7003 1 13 . 1 1 64 64 HIS N N 64 115.292 115.292 118.660 -3.368 25515 7004 1 13 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.233 -0.706 25515 7005 1 13 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.276 1.107 25515 7006 1 13 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.573 0.362 25515 7007 1 13 . 1 1 64 64 HIS H H 64 8.055 8.055 8.220 -0.165 25515 7008 1 13 . 1 1 65 65 ALA N N 65 122.093 122.093 120.780 1.313 25515 7009 1 13 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.100 -0.594 25515 7010 1 13 . 1 1 65 65 ALA C C 65 172.454 172.454 179.197 -6.743 25515 7011 1 13 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.783 1.208 25515 7012 1 13 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.540 -1.402 25515 7013 1 13 . 1 1 65 65 ALA H H 65 7.944 7.944 7.727 0.217 25515 7014 1 13 . 1 1 66 66 ILE N N 66 115.954 115.954 118.774 -2.820 25515 7015 1 13 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.666 -0.208 25515 7016 1 13 . 1 1 66 66 ILE C C 66 175.394 175.394 178.367 -2.973 25515 7017 1 13 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.467 0.141 25515 7018 1 13 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.408 1.581 25515 7019 1 13 . 1 1 66 66 ILE H H 66 7.358 7.358 8.302 -0.944 25515 7020 1 13 . 1 1 67 67 LEU N N 67 111.268 111.268 117.255 -5.987 25515 7021 1 13 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.970 -0.295 25515 7022 1 13 . 1 1 67 67 LEU C C 67 174.490 174.490 178.452 -3.962 25515 7023 1 13 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.819 -0.252 25515 7024 1 13 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.204 1.850 25515 7025 1 13 . 1 1 67 67 LEU H H 67 7.743 7.743 7.644 0.099 25515 7026 1 13 . 1 1 68 68 THR N N 68 103.399 103.399 108.347 -4.948 25515 7027 1 13 . 1 1 68 68 THR HA H 68 4.023 4.023 4.128 -0.105 25515 7028 1 13 . 1 1 68 68 THR C C 68 178.796 178.796 173.665 5.131 25515 7029 1 13 . 1 1 68 68 THR CA C 68 61.672 61.672 62.220 -0.548 25515 7030 1 13 . 1 1 68 68 THR CB C 68 69.052 69.052 68.274 0.778 25515 7031 1 13 . 1 1 68 68 THR H H 68 7.104 7.104 7.657 -0.553 25515 7032 1 13 . 1 1 69 69 ASP N N 69 125.057 125.057 122.299 2.758 25515 7033 1 13 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.584 0.117 25515 7034 1 13 . 1 1 69 69 ASP C C 69 177.204 177.204 176.344 0.860 25515 7035 1 13 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.367 -0.608 25515 7036 1 13 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.956 -0.205 25515 7037 1 13 . 1 1 69 69 ASP H H 69 7.076 7.076 7.387 -0.311 25515 7038 1 13 . 1 1 70 70 ALA N N 70 128.178 128.178 129.207 -1.029 25515 7039 1 13 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.070 -0.173 25515 7040 1 13 . 1 1 70 70 ALA C C 70 171.909 171.909 178.974 -7.065 25515 7041 1 13 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.989 0.837 25515 7042 1 13 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.804 -0.330 25515 7043 1 13 . 1 1 70 70 ALA H H 70 8.761 8.761 8.769 -0.008 25515 7044 1 13 . 1 1 71 71 THR N N 71 113.629 113.629 114.993 -1.364 25515 7045 1 13 . 1 1 71 71 THR HA H 71 3.981 3.981 4.124 -0.143 25515 7046 1 13 . 1 1 71 71 THR C C 71 175.038 175.038 176.509 -1.471 25515 7047 1 13 . 1 1 71 71 THR CA C 71 66.164 66.164 66.858 -0.694 25515 7048 1 13 . 1 1 71 71 THR CB C 71 68.319 68.319 68.786 -0.467 25515 7049 1 13 . 1 1 71 71 THR H H 71 7.957 7.957 8.301 -0.344 25515 7050 1 13 . 1 1 72 72 LYS N N 72 122.501 122.501 120.608 1.893 25515 7051 1 13 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.104 -0.294 25515 7052 1 13 . 1 1 72 72 LYS C C 72 173.814 173.814 178.694 -4.880 25515 7053 1 13 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.558 0.733 25515 7054 1 13 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.283 0.523 25515 7055 1 13 . 1 1 72 72 LYS H H 72 8.309 8.309 8.802 -0.493 25515 7056 1 13 . 1 1 73 73 ARG N N 73 120.595 120.595 118.265 2.330 25515 7057 1 13 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.166 -0.563 25515 7058 1 13 . 1 1 73 73 ARG C C 73 174.477 174.477 177.767 -3.290 25515 7059 1 13 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.294 2.535 25515 7060 1 13 . 1 1 73 73 ARG H H 73 9.258 9.258 7.677 1.581 25515 7061 1 13 . 1 1 74 74 ASN N N 74 115.425 115.425 119.425 -4.000 25515 7062 1 13 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.509 -0.078 25515 7063 1 13 . 1 1 74 74 ASN C C 74 174.296 174.296 177.985 -3.689 25515 7064 1 13 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.646 0.064 25515 7065 1 13 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.423 0.306 25515 7066 1 13 . 1 1 74 74 ASN H H 74 7.534 7.534 7.800 -0.266 25515 7067 1 13 . 1 1 75 75 ILE N N 75 119.020 119.020 118.560 0.460 25515 7068 1 13 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.876 -0.243 25515 7069 1 13 . 1 1 75 75 ILE C C 75 174.667 174.667 177.319 -2.652 25515 7070 1 13 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.248 1.257 25515 7071 1 13 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.528 1.697 25515 7072 1 13 . 1 1 75 75 ILE H H 75 7.656 7.656 8.412 -0.756 25515 7073 1 13 . 1 1 76 76 TYR N N 76 121.913 121.913 121.864 0.049 25515 7074 1 13 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.063 -0.048 25515 7075 1 13 . 1 1 76 76 TYR C C 76 173.323 173.323 176.933 -3.610 25515 7076 1 13 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.960 -0.413 25515 7077 1 13 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.250 0.503 25515 7078 1 13 . 1 1 76 76 TYR H H 76 8.894 8.894 8.014 0.880 25515 7079 1 13 . 1 1 77 77 ASP N N 77 120.151 120.151 116.931 3.220 25515 7080 1 13 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.398 -0.061 25515 7081 1 13 . 1 1 77 77 ASP C C 77 174.321 174.321 177.608 -3.287 25515 7082 1 13 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.509 1.410 25515 7083 1 13 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.274 -1.289 25515 7084 1 13 . 1 1 77 77 ASP H H 77 9.151 9.151 7.851 1.300 25515 7085 1 13 . 1 1 78 78 LYS N N 78 117.659 117.659 119.299 -1.640 25515 7086 1 13 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.923 0.004 25515 7087 1 13 . 1 1 78 78 LYS C C 78 174.237 174.237 177.369 -3.132 25515 7088 1 13 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.431 -0.018 25515 7089 1 13 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.772 0.870 25515 7090 1 13 . 1 1 78 78 LYS H H 78 7.378 7.378 7.760 -0.382 25515 7091 1 13 . 1 1 79 79 TYR N N 79 115.151 115.151 114.317 0.834 25515 7092 1 13 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.614 0.007 25515 7093 1 13 . 1 1 79 79 TYR C C 79 175.424 175.424 177.577 -2.153 25515 7094 1 13 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.060 -2.487 25515 7095 1 13 . 1 1 79 79 TYR H H 79 8.505 8.505 8.191 0.314 25515 7096 1 13 . 1 1 80 80 GLY N N 80 110.813 110.813 107.729 3.084 25515 7097 1 13 . 1 1 80 80 GLY C C 80 177.481 177.481 176.327 1.154 25515 7098 1 13 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.697 -1.152 25515 7099 1 13 . 1 1 80 80 GLY H H 80 8.222 8.222 8.537 -0.315 25515 7100 1 13 . 1 1 81 81 SER N N 81 117.578 117.578 118.129 -0.551 25515 7101 1 13 . 1 1 81 81 SER C C 81 174.532 174.532 176.477 -1.945 25515 7102 1 13 . 1 1 81 81 SER CA C 81 61.579 61.579 61.143 0.436 25515 7103 1 13 . 1 1 81 81 SER H H 81 8.883 8.883 8.100 0.783 25515 7104 1 13 . 1 1 82 82 LEU N N 82 123.998 123.998 120.908 3.090 25515 7105 1 13 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.645 -0.374 25515 7106 1 13 . 1 1 82 82 LEU C C 82 173.400 173.400 178.670 -5.270 25515 7107 1 13 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.045 0.887 25515 7108 1 13 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.714 -0.327 25515 7109 1 13 . 1 1 82 82 LEU H H 82 8.920 8.920 8.097 0.823 25515 7110 1 13 . 1 1 83 83 GLY N N 83 105.677 105.677 107.463 -1.786 25515 7111 1 13 . 1 1 83 83 GLY C C 83 177.230 177.230 176.200 1.030 25515 7112 1 13 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.652 -0.004 25515 7113 1 13 . 1 1 83 83 GLY H H 83 7.565 7.565 8.670 -1.105 25515 7114 1 13 . 1 1 84 84 LEU N N 84 119.542 119.542 122.708 -3.166 25515 7115 1 13 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.189 -0.130 25515 7116 1 13 . 1 1 84 84 LEU C C 84 173.036 173.036 178.038 -5.002 25515 7117 1 13 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.562 -0.129 25515 7118 1 13 . 1 1 84 84 LEU H H 84 7.495 7.495 7.603 -0.108 25515 7119 1 13 . 1 1 85 85 TYR N N 85 121.424 121.424 119.113 2.311 25515 7120 1 13 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.673 -0.415 25515 7121 1 13 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.376 0.594 25515 7122 1 13 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.061 0.247 25515 7123 1 13 . 1 1 85 85 TYR H H 85 7.894 7.894 7.903 -0.009 25515 7124 1 13 . 1 1 86 86 VAL N N 86 120.088 120.088 119.687 0.401 25515 7125 1 13 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.370 -0.094 25515 7126 1 13 . 1 1 86 86 VAL C C 86 174.300 174.300 177.302 -3.002 25515 7127 1 13 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.060 2.249 25515 7128 1 13 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.181 0.493 25515 7129 1 13 . 1 1 86 86 VAL H H 86 8.402 8.402 8.158 0.244 25515 7130 1 13 . 1 1 87 87 ALA N N 87 121.800 121.800 122.549 -0.749 25515 7131 1 13 . 1 1 87 87 ALA HA H 87 3.737 3.737 3.984 -0.247 25515 7132 1 13 . 1 1 87 87 ALA C C 87 172.312 172.312 179.424 -7.112 25515 7133 1 13 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.088 -0.645 25515 7134 1 13 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.355 0.046 25515 7135 1 13 . 1 1 87 87 ALA H H 87 8.317 8.317 7.931 0.386 25515 7136 1 13 . 1 1 88 88 GLU N N 88 118.012 118.012 117.557 0.455 25515 7137 1 13 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.986 -0.111 25515 7138 1 13 . 1 1 88 88 GLU C C 88 174.071 174.071 178.767 -4.696 25515 7139 1 13 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.843 -0.077 25515 7140 1 13 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.642 -0.093 25515 7141 1 13 . 1 1 88 88 GLU H H 88 7.777 7.777 7.611 0.166 25515 7142 1 13 . 1 1 89 89 GLN N N 89 116.164 116.164 116.347 -0.183 25515 7143 1 13 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.139 -0.428 25515 7144 1 13 . 1 1 89 89 GLN C C 89 174.572 174.572 177.524 -2.952 25515 7145 1 13 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.434 -0.389 25515 7146 1 13 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.223 -0.559 25515 7147 1 13 . 1 1 89 89 GLN H H 89 7.704 7.704 7.606 0.098 25515 7148 1 13 . 1 1 90 90 PHE N N 90 114.734 114.734 117.571 -2.837 25515 7149 1 13 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.473 0.237 25515 7150 1 13 . 1 1 90 90 PHE C C 90 175.715 175.715 175.700 0.015 25515 7151 1 13 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.188 -1.783 25515 7152 1 13 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.053 0.150 25515 7153 1 13 . 1 1 90 90 PHE H H 90 8.241 8.241 8.472 -0.231 25515 7154 1 13 . 1 1 91 91 GLY N N 91 111.234 111.234 106.984 4.250 25515 7155 1 13 . 1 1 91 91 GLY C C 91 176.788 176.788 174.927 1.861 25515 7156 1 13 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.612 0.558 25515 7157 1 13 . 1 1 91 91 GLY H H 91 7.668 7.668 7.219 0.449 25515 7158 1 13 . 1 1 92 92 GLU N N 92 123.392 123.392 125.255 -1.863 25515 7159 1 13 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.873 -0.031 25515 7160 1 13 . 1 1 92 92 GLU C C 92 174.798 174.798 178.098 -3.300 25515 7161 1 13 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.820 -0.562 25515 7162 1 13 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.434 0.184 25515 7163 1 13 . 1 1 92 92 GLU H H 92 8.793 8.793 8.821 -0.028 25515 7164 1 13 . 1 1 93 93 GLU N N 93 118.621 118.621 116.809 1.812 25515 7165 1 13 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.056 0.129 25515 7166 1 13 . 1 1 93 93 GLU C C 93 175.143 175.143 176.945 -1.802 25515 7167 1 13 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.514 -0.630 25515 7168 1 13 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.910 0.157 25515 7169 1 13 . 1 1 93 93 GLU H H 93 9.356 9.356 8.587 0.769 25515 7170 1 13 . 1 1 94 94 ASN N N 94 116.563 116.563 118.074 -1.511 25515 7171 1 13 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.778 0.133 25515 7172 1 13 . 1 1 94 94 ASN C C 94 176.192 176.192 177.915 -1.723 25515 7173 1 13 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.358 -1.047 25515 7174 1 13 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.175 0.569 25515 7175 1 13 . 1 1 94 94 ASN H H 94 7.881 7.881 7.809 0.072 25515 7176 1 13 . 1 1 95 95 VAL N N 95 119.858 119.858 118.897 0.961 25515 7177 1 13 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.613 0.127 25515 7178 1 13 . 1 1 95 95 VAL C C 95 175.715 175.715 177.115 -1.400 25515 7179 1 13 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.659 -1.161 25515 7180 1 13 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.008 0.958 25515 7181 1 13 . 1 1 95 95 VAL H H 95 7.405 7.405 8.621 -1.216 25515 7182 1 13 . 1 1 96 96 ASN N N 96 116.409 116.409 117.754 -1.345 25515 7183 1 13 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.534 -0.076 25515 7184 1 13 . 1 1 96 96 ASN C C 96 175.322 175.322 177.002 -1.680 25515 7185 1 13 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.581 0.136 25515 7186 1 13 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.360 -0.144 25515 7187 1 13 . 1 1 96 96 ASN H H 96 8.356 8.356 8.127 0.229 25515 7188 1 13 . 1 1 97 97 THR N N 97 111.266 111.266 113.784 -2.518 25515 7189 1 13 . 1 1 97 97 THR HA H 97 3.993 3.993 4.121 -0.128 25515 7190 1 13 . 1 1 97 97 THR C C 97 177.418 177.418 175.447 1.971 25515 7191 1 13 . 1 1 97 97 THR CA C 97 63.604 63.604 65.225 -1.621 25515 7192 1 13 . 1 1 97 97 THR CB C 97 69.162 69.162 69.140 0.022 25515 7193 1 13 . 1 1 97 97 THR H H 97 7.575 7.575 8.291 -0.716 25515 7194 1 13 . 1 1 98 98 TYR N N 98 119.963 119.963 121.302 -1.339 25515 7195 1 13 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.366 -0.044 25515 7196 1 13 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.524 -0.326 25515 7197 1 13 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.493 -0.249 25515 7198 1 13 . 1 1 98 98 TYR H H 98 7.480 7.480 7.856 -0.376 25515 7199 1 13 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.322 0.238 25515 7200 1 13 . 1 1 99 99 PHE C C 99 177.317 177.317 175.704 1.613 25515 7201 1 13 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.843 -0.850 25515 7202 1 13 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.685 0.957 25515 7203 1 14 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.381 -0.090 25515 7204 1 14 . 1 1 2 2 ALA C C 2 175.019 175.019 176.916 -1.897 25515 7205 1 14 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.939 0.632 25515 7206 1 14 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.307 -0.188 25515 7207 1 14 . 1 1 3 3 ASP N N 3 120.192 120.192 125.448 -5.256 25515 7208 1 14 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.535 -0.050 25515 7209 1 14 . 1 1 3 3 ASP C C 3 175.549 175.549 175.996 -0.447 25515 7210 1 14 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.617 0.635 25515 7211 1 14 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.603 -1.371 25515 7212 1 14 . 1 1 3 3 ASP H H 3 8.336 8.336 8.430 -0.094 25515 7213 1 14 . 1 1 4 4 GLN N N 4 121.286 121.286 120.730 0.556 25515 7214 1 14 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.416 -0.214 25515 7215 1 14 . 1 1 4 4 GLN C C 4 175.579 175.579 175.409 0.170 25515 7216 1 14 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.779 0.547 25515 7217 1 14 . 1 1 4 4 GLN CB C 4 29.117 29.117 28.839 0.278 25515 7218 1 14 . 1 1 4 4 GLN H H 4 8.404 8.404 8.466 -0.062 25515 7219 1 14 . 1 1 5 5 ARG N N 5 121.138 121.138 121.990 -0.852 25515 7220 1 14 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.621 -0.457 25515 7221 1 14 . 1 1 5 5 ARG C C 5 175.327 175.327 176.565 -1.238 25515 7222 1 14 . 1 1 5 5 ARG CA C 5 56.776 56.776 54.755 2.022 25515 7223 1 14 . 1 1 5 5 ARG CB C 5 30.511 30.511 31.101 -0.590 25515 7224 1 14 . 1 1 5 5 ARG H H 5 8.281 8.281 8.510 -0.229 25515 7225 1 14 . 1 1 6 6 GLN N N 6 120.348 120.348 121.295 -0.947 25515 7226 1 14 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.233 -0.044 25515 7227 1 14 . 1 1 6 6 GLN C C 6 175.838 175.838 177.480 -1.642 25515 7228 1 14 . 1 1 6 6 GLN CA C 6 56.208 56.208 56.400 -0.192 25515 7229 1 14 . 1 1 6 6 GLN CB C 6 29.131 29.131 29.744 -0.613 25515 7230 1 14 . 1 1 6 6 GLN H H 6 8.253 8.253 8.020 0.233 25515 7231 1 14 . 1 1 7 7 ARG N N 7 121.761 121.761 124.058 -2.297 25515 7232 1 14 . 1 1 7 7 ARG HA H 7 4.241 4.241 3.959 0.282 25515 7233 1 14 . 1 1 7 7 ARG C C 7 175.708 175.708 178.269 -2.561 25515 7234 1 14 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.774 -3.438 25515 7235 1 14 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.631 1.140 25515 7236 1 14 . 1 1 7 7 ARG H H 7 8.211 8.211 8.866 -0.655 25515 7237 1 14 . 1 1 8 8 SER N N 8 116.450 116.450 113.115 3.335 25515 7238 1 14 . 1 1 8 8 SER HA H 8 4.384 4.384 4.147 0.237 25515 7239 1 14 . 1 1 8 8 SER C C 8 177.569 177.569 175.474 2.095 25515 7240 1 14 . 1 1 8 8 SER CA C 8 58.298 58.298 60.542 -2.244 25515 7241 1 14 . 1 1 8 8 SER CB C 8 63.786 63.786 63.008 0.777 25515 7242 1 14 . 1 1 8 8 SER H H 8 8.220 8.220 8.383 -0.163 25515 7243 1 14 . 1 1 9 9 LEU N N 9 123.709 123.709 116.030 7.679 25515 7244 1 14 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.512 -0.158 25515 7245 1 14 . 1 1 9 9 LEU C C 9 174.915 174.915 177.862 -2.947 25515 7246 1 14 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.064 -1.088 25515 7247 1 14 . 1 1 9 9 LEU CB C 9 42.678 42.678 42.292 0.386 25515 7248 1 14 . 1 1 9 9 LEU H H 9 8.091 8.091 7.404 0.687 25515 7249 1 14 . 1 1 10 10 SER N N 10 115.478 115.478 114.229 1.249 25515 7250 1 14 . 1 1 10 10 SER HA H 10 4.561 4.561 4.426 0.135 25515 7251 1 14 . 1 1 10 10 SER C C 10 177.096 177.096 175.142 1.954 25515 7252 1 14 . 1 1 10 10 SER CA C 10 58.016 58.016 60.339 -2.323 25515 7253 1 14 . 1 1 10 10 SER CB C 10 64.062 64.062 64.130 -0.068 25515 7254 1 14 . 1 1 10 10 SER H H 10 8.187 8.187 7.809 0.378 25515 7255 1 14 . 1 1 11 11 THR N N 11 114.393 114.393 112.698 1.695 25515 7256 1 14 . 1 1 11 11 THR HA H 11 4.516 4.516 4.639 -0.123 25515 7257 1 14 . 1 1 11 11 THR C C 11 177.232 177.232 174.470 2.762 25515 7258 1 14 . 1 1 11 11 THR CA C 11 61.740 61.740 59.821 1.919 25515 7259 1 14 . 1 1 11 11 THR CB C 11 69.478 69.478 71.262 -1.784 25515 7260 1 14 . 1 1 11 11 THR H H 11 8.180 8.180 7.617 0.563 25515 7261 1 14 . 1 1 12 12 SER N N 12 117.125 117.125 117.363 -0.238 25515 7262 1 14 . 1 1 12 12 SER HA H 12 4.391 4.391 4.520 -0.129 25515 7263 1 14 . 1 1 12 12 SER C C 12 176.856 176.856 175.232 1.624 25515 7264 1 14 . 1 1 12 12 SER CA C 12 58.537 58.537 58.916 -0.379 25515 7265 1 14 . 1 1 12 12 SER CB C 12 63.915 63.915 63.214 0.701 25515 7266 1 14 . 1 1 12 12 SER H H 12 8.171 8.171 8.632 -0.461 25515 7267 1 14 . 1 1 13 13 GLY N N 13 111.544 111.544 106.788 4.756 25515 7268 1 14 . 1 1 13 13 GLY C C 13 178.243 178.243 173.075 5.168 25515 7269 1 14 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.181 0.299 25515 7270 1 14 . 1 1 13 13 GLY H H 13 8.381 8.381 8.444 -0.063 25515 7271 1 14 . 1 1 14 14 GLU N N 14 119.223 119.223 121.047 -1.824 25515 7272 1 14 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.795 -0.355 25515 7273 1 14 . 1 1 14 14 GLU C C 14 174.876 174.876 174.986 -0.110 25515 7274 1 14 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.238 1.186 25515 7275 1 14 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.982 -1.004 25515 7276 1 14 . 1 1 14 14 GLU H H 14 8.149 8.149 7.726 0.423 25515 7277 1 14 . 1 1 15 15 SER N N 15 117.752 117.752 117.043 0.709 25515 7278 1 14 . 1 1 15 15 SER H H 15 8.437 8.437 9.238 -0.801 25515 7279 1 14 . 1 1 16 16 LEU N N 16 121.072 121.072 122.712 -1.640 25515 7280 1 14 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.080 -0.219 25515 7281 1 14 . 1 1 16 16 LEU C C 16 174.423 174.423 179.065 -4.642 25515 7282 1 14 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.793 -0.368 25515 7283 1 14 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.131 0.545 25515 7284 1 14 . 1 1 16 16 LEU H H 16 8.233 8.233 8.349 -0.116 25515 7285 1 14 . 1 1 17 17 TYR N N 17 111.961 111.961 116.072 -4.111 25515 7286 1 14 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.076 -0.414 25515 7287 1 14 . 1 1 17 17 TYR C C 17 173.256 173.256 177.931 -4.675 25515 7288 1 14 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.474 -0.608 25515 7289 1 14 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.660 -0.253 25515 7290 1 14 . 1 1 17 17 TYR H H 17 6.929 6.929 7.949 -1.020 25515 7291 1 14 . 1 1 18 18 HIS N N 18 119.254 119.254 116.129 3.125 25515 7292 1 14 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.355 0.084 25515 7293 1 14 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.037 -0.123 25515 7294 1 14 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.054 -0.439 25515 7295 1 14 . 1 1 18 18 HIS H H 18 7.672 7.672 8.347 -0.675 25515 7296 1 14 . 1 1 19 19 VAL N N 19 120.746 120.746 117.653 3.093 25515 7297 1 14 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.875 -0.170 25515 7298 1 14 . 1 1 19 19 VAL C C 19 175.643 175.643 177.201 -1.558 25515 7299 1 14 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.102 0.431 25515 7300 1 14 . 1 1 19 19 VAL CB C 19 31.465 31.465 32.086 -0.621 25515 7301 1 14 . 1 1 19 19 VAL H H 19 7.883 7.883 7.384 0.499 25515 7302 1 14 . 1 1 20 20 LEU N N 20 114.576 114.576 117.340 -2.764 25515 7303 1 14 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.321 0.040 25515 7304 1 14 . 1 1 20 20 LEU C C 20 175.746 175.746 176.984 -1.238 25515 7305 1 14 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.047 -1.766 25515 7306 1 14 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.466 0.434 25515 7307 1 14 . 1 1 20 20 LEU H H 20 6.626 6.626 7.408 -0.782 25515 7308 1 14 . 1 1 21 21 GLY N N 21 109.239 109.239 106.739 2.500 25515 7309 1 14 . 1 1 21 21 GLY C C 21 177.637 177.637 174.578 3.059 25515 7310 1 14 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.775 0.508 25515 7311 1 14 . 1 1 21 21 GLY H H 21 7.991 7.991 7.566 0.425 25515 7312 1 14 . 1 1 22 22 LEU N N 22 119.495 119.495 117.192 2.303 25515 7313 1 14 . 1 1 22 22 LEU HA H 22 4.767 4.767 5.058 -0.291 25515 7314 1 14 . 1 1 22 22 LEU C C 22 177.306 177.306 175.439 1.867 25515 7315 1 14 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.030 -0.148 25515 7316 1 14 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.742 2.165 25515 7317 1 14 . 1 1 22 22 LEU H H 22 7.765 7.765 7.604 0.161 25515 7318 1 14 . 1 1 23 23 ASP N N 23 118.518 118.518 117.029 1.489 25515 7319 1 14 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.934 -0.345 25515 7320 1 14 . 1 1 23 23 ASP C C 23 176.597 176.597 177.384 -0.787 25515 7321 1 14 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.323 -0.292 25515 7322 1 14 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.125 1.356 25515 7323 1 14 . 1 1 23 23 ASP H H 23 7.977 7.977 8.175 -0.198 25515 7324 1 14 . 1 1 24 24 LYS N N 24 115.499 115.499 116.126 -0.627 25515 7325 1 14 . 1 1 24 24 LYS HA H 24 2.152 2.152 2.933 -0.781 25515 7326 1 14 . 1 1 24 24 LYS C C 24 176.231 176.231 175.994 0.237 25515 7327 1 14 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.031 0.036 25515 7328 1 14 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.239 1.123 25515 7329 1 14 . 1 1 24 24 LYS H H 24 7.811 7.811 8.484 -0.673 25515 7330 1 14 . 1 1 25 25 ASN N N 25 115.622 115.622 115.683 -0.061 25515 7331 1 14 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.764 -0.239 25515 7332 1 14 . 1 1 25 25 ASN C C 25 176.698 176.698 175.007 1.691 25515 7333 1 14 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.749 0.124 25515 7334 1 14 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.669 -1.595 25515 7335 1 14 . 1 1 25 25 ASN H H 25 7.817 7.817 7.502 0.315 25515 7336 1 14 . 1 1 26 26 ALA N N 26 122.970 122.970 124.570 -1.600 25515 7337 1 14 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.324 0.035 25515 7338 1 14 . 1 1 26 26 ALA C C 26 173.847 173.847 176.967 -3.120 25515 7339 1 14 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.809 0.108 25515 7340 1 14 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.733 1.234 25515 7341 1 14 . 1 1 26 26 ALA H H 26 7.646 7.646 7.568 0.078 25515 7342 1 14 . 1 1 27 27 THR N N 27 113.252 113.252 114.519 -1.267 25515 7343 1 14 . 1 1 27 27 THR HA H 27 4.657 4.657 4.600 0.057 25515 7344 1 14 . 1 1 27 27 THR C C 27 175.986 175.986 175.951 0.035 25515 7345 1 14 . 1 1 27 27 THR CA C 27 60.427 60.427 60.813 -0.386 25515 7346 1 14 . 1 1 27 27 THR CB C 27 71.702 71.702 72.007 -0.305 25515 7347 1 14 . 1 1 27 27 THR H H 27 9.089 9.089 8.489 0.600 25515 7348 1 14 . 1 1 28 28 SER N N 28 115.961 115.961 118.095 -2.134 25515 7349 1 14 . 1 1 28 28 SER HA H 28 3.930 3.930 4.017 -0.087 25515 7350 1 14 . 1 1 28 28 SER C C 28 175.440 175.440 175.898 -0.458 25515 7351 1 14 . 1 1 28 28 SER CA C 28 62.515 62.515 62.839 -0.324 25515 7352 1 14 . 1 1 28 28 SER CB C 28 62.713 62.713 63.277 -0.564 25515 7353 1 14 . 1 1 28 28 SER H H 28 9.095 9.095 8.842 0.253 25515 7354 1 14 . 1 1 29 29 ASP N N 29 119.797 119.797 119.492 0.305 25515 7355 1 14 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.364 0.039 25515 7356 1 14 . 1 1 29 29 ASP C C 29 173.862 173.862 178.047 -4.185 25515 7357 1 14 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.423 0.360 25515 7358 1 14 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.759 0.292 25515 7359 1 14 . 1 1 29 29 ASP H H 29 8.122 8.122 8.422 -0.300 25515 7360 1 14 . 1 1 30 30 ASP N N 30 120.847 120.847 119.513 1.334 25515 7361 1 14 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.482 -0.135 25515 7362 1 14 . 1 1 30 30 ASP C C 30 172.627 172.627 178.916 -6.289 25515 7363 1 14 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.456 0.233 25515 7364 1 14 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.029 -0.047 25515 7365 1 14 . 1 1 30 30 ASP H H 30 7.851 7.851 7.767 0.084 25515 7366 1 14 . 1 1 31 31 ILE N N 31 121.776 121.776 121.096 0.680 25515 7367 1 14 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.697 -0.181 25515 7368 1 14 . 1 1 31 31 ILE C C 31 174.709 174.709 178.198 -3.489 25515 7369 1 14 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.437 0.049 25515 7370 1 14 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.873 0.368 25515 7371 1 14 . 1 1 31 31 ILE H H 31 8.122 8.122 8.274 -0.152 25515 7372 1 14 . 1 1 32 32 LYS N N 32 119.510 119.510 120.290 -0.780 25515 7373 1 14 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.417 -0.340 25515 7374 1 14 . 1 1 32 32 LYS C C 32 172.959 172.959 179.386 -6.427 25515 7375 1 14 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.786 2.049 25515 7376 1 14 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.111 0.393 25515 7377 1 14 . 1 1 32 32 LYS H H 32 8.172 8.172 8.321 -0.149 25515 7378 1 14 . 1 1 33 33 LYS N N 33 119.042 119.042 120.311 -1.269 25515 7379 1 14 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.078 -0.110 25515 7380 1 14 . 1 1 33 33 LYS C C 33 172.323 172.323 179.296 -6.973 25515 7381 1 14 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.668 0.338 25515 7382 1 14 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.255 0.458 25515 7383 1 14 . 1 1 33 33 LYS H H 33 8.342 8.342 7.916 0.426 25515 7384 1 14 . 1 1 34 34 SER N N 34 115.060 115.060 115.639 -0.579 25515 7385 1 14 . 1 1 34 34 SER HA H 34 4.260 4.260 4.212 0.048 25515 7386 1 14 . 1 1 34 34 SER C C 34 175.503 175.503 176.166 -0.663 25515 7387 1 14 . 1 1 34 34 SER CA C 34 61.734 61.734 62.250 -0.516 25515 7388 1 14 . 1 1 34 34 SER CB C 34 63.088 63.088 63.084 0.005 25515 7389 1 14 . 1 1 34 34 SER H H 34 8.161 8.161 8.360 -0.199 25515 7390 1 14 . 1 1 35 35 TYR N N 35 119.241 119.241 123.066 -3.825 25515 7391 1 14 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.141 -0.267 25515 7392 1 14 . 1 1 35 35 TYR C C 35 176.352 176.352 177.026 -0.674 25515 7393 1 14 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.651 0.218 25515 7394 1 14 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.501 0.289 25515 7395 1 14 . 1 1 35 35 TYR H H 35 8.499 8.499 7.902 0.597 25515 7396 1 14 . 1 1 36 36 ARG N N 36 116.674 116.674 117.961 -1.287 25515 7397 1 14 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.575 -0.122 25515 7398 1 14 . 1 1 36 36 ARG C C 36 173.135 173.135 178.660 -5.525 25515 7399 1 14 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.612 0.998 25515 7400 1 14 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.348 0.531 25515 7401 1 14 . 1 1 36 36 ARG H H 36 7.967 7.967 8.022 -0.055 25515 7402 1 14 . 1 1 37 37 LYS N N 37 116.974 116.974 119.158 -2.184 25515 7403 1 14 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.990 -0.020 25515 7404 1 14 . 1 1 37 37 LYS C C 37 172.489 172.489 179.650 -7.161 25515 7405 1 14 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.382 -0.005 25515 7406 1 14 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.233 0.524 25515 7407 1 14 . 1 1 37 37 LYS H H 37 7.275 7.275 8.078 -0.803 25515 7408 1 14 . 1 1 38 38 LEU N N 38 120.978 120.978 118.663 2.315 25515 7409 1 14 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.306 -0.283 25515 7410 1 14 . 1 1 38 38 LEU C C 38 173.557 173.557 178.371 -4.814 25515 7411 1 14 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.442 0.962 25515 7412 1 14 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.143 0.225 25515 7413 1 14 . 1 1 38 38 LEU H H 38 8.268 8.268 7.612 0.656 25515 7414 1 14 . 1 1 39 39 ALA N N 39 122.700 122.700 122.999 -0.299 25515 7415 1 14 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.831 0.054 25515 7416 1 14 . 1 1 39 39 ALA C C 39 172.721 172.721 178.889 -6.168 25515 7417 1 14 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.295 0.145 25515 7418 1 14 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.179 -1.229 25515 7419 1 14 . 1 1 39 39 ALA H H 39 9.043 9.043 8.339 0.704 25515 7420 1 14 . 1 1 40 40 LEU N N 40 114.462 114.462 113.438 1.024 25515 7421 1 14 . 1 1 40 40 LEU HA H 40 4.032 4.032 3.989 0.043 25515 7422 1 14 . 1 1 40 40 LEU C C 40 173.110 173.110 179.171 -6.061 25515 7423 1 14 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.434 0.875 25515 7424 1 14 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.169 1.865 25515 7425 1 14 . 1 1 40 40 LEU H H 40 6.862 6.862 7.351 -0.489 25515 7426 1 14 . 1 1 41 41 LYS N N 41 118.126 118.126 121.656 -3.530 25515 7427 1 14 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.812 0.030 25515 7428 1 14 . 1 1 41 41 LYS C C 41 173.695 173.695 177.747 -4.052 25515 7429 1 14 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.173 -0.431 25515 7430 1 14 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.625 0.362 25515 7431 1 14 . 1 1 41 41 LYS H H 41 7.135 7.135 7.728 -0.593 25515 7432 1 14 . 1 1 42 42 TYR N N 42 113.902 113.902 113.574 0.328 25515 7433 1 14 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.632 -0.142 25515 7434 1 14 . 1 1 42 42 TYR C C 42 178.884 178.884 174.436 4.448 25515 7435 1 14 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.592 1.421 25515 7436 1 14 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.096 0.413 25515 7437 1 14 . 1 1 42 42 TYR H H 42 7.756 7.756 7.921 -0.165 25515 7438 1 14 . 1 1 43 43 HIS N N 43 120.909 120.909 122.069 -1.160 25515 7439 1 14 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.105 -0.633 25515 7440 1 14 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.193 0.706 25515 7441 1 14 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.150 -0.025 25515 7442 1 14 . 1 1 43 43 HIS H H 43 7.134 7.134 7.380 -0.246 25515 7443 1 14 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.099 -0.101 25515 7444 1 14 . 1 1 44 44 PRO C C 44 172.774 172.774 178.197 -5.423 25515 7445 1 14 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.965 -0.360 25515 7446 1 14 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.581 0.029 25515 7447 1 14 . 1 1 45 45 ASP N N 45 121.379 121.379 114.620 6.759 25515 7448 1 14 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.493 -0.136 25515 7449 1 14 . 1 1 45 45 ASP C C 45 173.968 173.968 177.024 -3.056 25515 7450 1 14 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.596 2.175 25515 7451 1 14 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.526 -0.403 25515 7452 1 14 . 1 1 45 45 ASP H H 45 10.727 10.727 8.460 2.267 25515 7453 1 14 . 1 1 46 46 LYS N N 46 115.902 115.902 117.782 -1.880 25515 7454 1 14 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.219 0.139 25515 7455 1 14 . 1 1 46 46 LYS C C 46 176.450 176.450 176.505 -0.055 25515 7456 1 14 . 1 1 46 46 LYS CA C 46 54.774 54.774 55.745 -0.971 25515 7457 1 14 . 1 1 46 46 LYS CB C 46 33.189 33.189 31.977 1.212 25515 7458 1 14 . 1 1 46 46 LYS H H 46 7.475 7.475 8.132 -0.657 25515 7459 1 14 . 1 1 47 47 ASN N N 47 117.709 117.709 120.204 -2.495 25515 7460 1 14 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.073 0.077 25515 7461 1 14 . 1 1 47 47 ASN C C 47 170.657 170.657 173.713 -3.056 25515 7462 1 14 . 1 1 47 47 ASN CA C 47 51.540 51.540 50.959 0.581 25515 7463 1 14 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.270 2.286 25515 7464 1 14 . 1 1 47 47 ASN H H 47 7.410 7.410 7.496 -0.086 25515 7465 1 14 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.496 -0.130 25515 7466 1 14 . 1 1 48 48 PRO C C 48 174.739 174.739 176.324 -1.585 25515 7467 1 14 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.624 1.488 25515 7468 1 14 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.543 -1.019 25515 7469 1 14 . 1 1 49 49 ASP N N 49 117.619 117.619 116.982 0.637 25515 7470 1 14 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.521 -0.144 25515 7471 1 14 . 1 1 49 49 ASP C C 49 177.335 177.335 176.148 1.187 25515 7472 1 14 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.008 -0.423 25515 7473 1 14 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.906 -0.652 25515 7474 1 14 . 1 1 49 49 ASP H H 49 8.679 8.679 8.313 0.366 25515 7475 1 14 . 1 1 50 50 ASN N N 50 114.537 114.537 118.250 -3.713 25515 7476 1 14 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.706 0.494 25515 7477 1 14 . 1 1 50 50 ASN C C 50 178.245 178.245 174.209 4.036 25515 7478 1 14 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.004 -1.869 25515 7479 1 14 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.380 1.196 25515 7480 1 14 . 1 1 50 50 ASN H H 50 7.341 7.341 8.175 -0.834 25515 7481 1 14 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.652 -0.288 25515 7482 1 14 . 1 1 51 51 PRO C C 51 173.714 173.714 177.406 -3.692 25515 7483 1 14 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.043 1.575 25515 7484 1 14 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.274 -0.173 25515 7485 1 14 . 1 1 52 52 GLU N N 52 118.597 118.597 121.487 -2.890 25515 7486 1 14 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.067 0.120 25515 7487 1 14 . 1 1 52 52 GLU C C 52 173.216 173.216 178.171 -4.955 25515 7488 1 14 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.250 -1.300 25515 7489 1 14 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.521 -0.322 25515 7490 1 14 . 1 1 52 52 GLU H H 52 8.048 8.048 8.668 -0.620 25515 7491 1 14 . 1 1 53 53 ALA N N 53 122.149 122.149 121.248 0.901 25515 7492 1 14 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.286 -0.312 25515 7493 1 14 . 1 1 53 53 ALA C C 53 173.485 173.485 179.376 -5.891 25515 7494 1 14 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.801 0.270 25515 7495 1 14 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.093 -0.316 25515 7496 1 14 . 1 1 53 53 ALA H H 53 7.606 7.606 8.478 -0.872 25515 7497 1 14 . 1 1 54 54 ALA N N 54 119.475 119.475 120.891 -1.416 25515 7498 1 14 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.141 0.086 25515 7499 1 14 . 1 1 54 54 ALA C C 54 171.125 171.125 179.381 -8.256 25515 7500 1 14 . 1 1 54 54 ALA CA C 54 55.171 55.171 55.018 0.153 25515 7501 1 14 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.377 -0.530 25515 7502 1 14 . 1 1 54 54 ALA H H 54 7.680 7.680 8.123 -0.443 25515 7503 1 14 . 1 1 55 55 ASP N N 55 120.134 120.134 119.411 0.723 25515 7504 1 14 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.359 0.062 25515 7505 1 14 . 1 1 55 55 ASP C C 55 173.088 173.088 178.884 -5.796 25515 7506 1 14 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.494 -0.088 25515 7507 1 14 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.503 -0.174 25515 7508 1 14 . 1 1 55 55 ASP H H 55 7.983 7.983 8.321 -0.338 25515 7509 1 14 . 1 1 56 56 LYS N N 56 120.915 120.915 120.089 0.826 25515 7510 1 14 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.938 -0.028 25515 7511 1 14 . 1 1 56 56 LYS C C 56 173.210 173.210 178.727 -5.517 25515 7512 1 14 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.746 -0.265 25515 7513 1 14 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.697 -0.789 25515 7514 1 14 . 1 1 56 56 LYS H H 56 7.758 7.758 7.977 -0.219 25515 7515 1 14 . 1 1 57 57 PHE N N 57 120.024 120.024 120.412 -0.388 25515 7516 1 14 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.119 -0.114 25515 7517 1 14 . 1 1 57 57 PHE C C 57 174.430 174.430 177.274 -2.844 25515 7518 1 14 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.602 1.938 25515 7519 1 14 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.541 0.547 25515 7520 1 14 . 1 1 57 57 PHE H H 57 8.861 8.861 8.464 0.397 25515 7521 1 14 . 1 1 58 58 LYS N N 58 119.306 119.306 119.894 -0.588 25515 7522 1 14 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.614 0.339 25515 7523 1 14 . 1 1 58 58 LYS C C 58 172.875 172.875 178.528 -5.653 25515 7524 1 14 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.174 -0.313 25515 7525 1 14 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.371 -0.062 25515 7526 1 14 . 1 1 58 58 LYS H H 58 7.846 7.846 8.385 -0.539 25515 7527 1 14 . 1 1 59 59 GLU N N 59 119.732 119.732 117.877 1.855 25515 7528 1 14 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.072 -0.023 25515 7529 1 14 . 1 1 59 59 GLU C C 59 171.935 171.935 179.198 -7.263 25515 7530 1 14 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.087 0.386 25515 7531 1 14 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.233 0.594 25515 7532 1 14 . 1 1 59 59 GLU H H 59 7.732 7.732 7.926 -0.194 25515 7533 1 14 . 1 1 60 60 ILE N N 60 119.074 119.074 121.667 -2.593 25515 7534 1 14 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.703 -0.015 25515 7535 1 14 . 1 1 60 60 ILE C C 60 174.424 174.424 178.262 -3.838 25515 7536 1 14 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.014 -0.740 25515 7537 1 14 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.852 0.595 25515 7538 1 14 . 1 1 60 60 ILE H H 60 8.429 8.429 8.559 -0.130 25515 7539 1 14 . 1 1 61 61 ASN N N 61 120.038 120.038 117.371 2.667 25515 7540 1 14 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.502 -0.201 25515 7541 1 14 . 1 1 61 61 ASN C C 61 174.271 174.271 177.581 -3.310 25515 7542 1 14 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.872 0.684 25515 7543 1 14 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.262 0.021 25515 7544 1 14 . 1 1 61 61 ASN H H 61 8.025 8.025 8.607 -0.582 25515 7545 1 14 . 1 1 62 62 ASN N N 62 119.502 119.502 119.285 0.217 25515 7546 1 14 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.385 -0.075 25515 7547 1 14 . 1 1 62 62 ASN C C 62 176.042 176.042 177.083 -1.041 25515 7548 1 14 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.755 -0.207 25515 7549 1 14 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.555 0.166 25515 7550 1 14 . 1 1 62 62 ASN H H 62 8.042 8.042 8.099 -0.057 25515 7551 1 14 . 1 1 63 63 ALA N N 63 119.769 119.769 122.586 -2.817 25515 7552 1 14 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.822 -0.136 25515 7553 1 14 . 1 1 63 63 ALA C C 63 173.564 173.564 179.159 -5.595 25515 7554 1 14 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.843 0.697 25515 7555 1 14 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.858 0.648 25515 7556 1 14 . 1 1 63 63 ALA H H 63 7.944 7.944 8.444 -0.500 25515 7557 1 14 . 1 1 64 64 HIS N N 64 115.292 115.292 118.872 -3.580 25515 7558 1 14 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.131 -0.604 25515 7559 1 14 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.558 0.826 25515 7560 1 14 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.742 0.193 25515 7561 1 14 . 1 1 64 64 HIS H H 64 8.055 8.055 8.315 -0.260 25515 7562 1 14 . 1 1 65 65 ALA N N 65 122.093 122.093 120.404 1.689 25515 7563 1 14 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.894 -0.388 25515 7564 1 14 . 1 1 65 65 ALA C C 65 172.454 172.454 178.851 -6.397 25515 7565 1 14 . 1 1 65 65 ALA CA C 65 54.991 54.991 54.121 0.870 25515 7566 1 14 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.251 -1.113 25515 7567 1 14 . 1 1 65 65 ALA H H 65 7.944 7.944 7.633 0.311 25515 7568 1 14 . 1 1 66 66 ILE N N 66 115.954 115.954 119.090 -3.136 25515 7569 1 14 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.609 -0.151 25515 7570 1 14 . 1 1 66 66 ILE C C 66 175.394 175.394 177.846 -2.452 25515 7571 1 14 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.598 0.010 25515 7572 1 14 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.639 1.350 25515 7573 1 14 . 1 1 66 66 ILE H H 66 7.358 7.358 7.721 -0.363 25515 7574 1 14 . 1 1 67 67 LEU N N 67 111.268 111.268 115.003 -3.735 25515 7575 1 14 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.946 -0.271 25515 7576 1 14 . 1 1 67 67 LEU C C 67 174.490 174.490 179.164 -4.674 25515 7577 1 14 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.634 -0.067 25515 7578 1 14 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.658 1.396 25515 7579 1 14 . 1 1 67 67 LEU H H 67 7.743 7.743 7.585 0.158 25515 7580 1 14 . 1 1 68 68 THR N N 68 103.399 103.399 109.639 -6.240 25515 7581 1 14 . 1 1 68 68 THR HA H 68 4.023 4.023 4.093 -0.070 25515 7582 1 14 . 1 1 68 68 THR C C 68 178.796 178.796 174.347 4.449 25515 7583 1 14 . 1 1 68 68 THR CA C 68 61.672 61.672 63.371 -1.699 25515 7584 1 14 . 1 1 68 68 THR CB C 68 69.052 69.052 68.793 0.259 25515 7585 1 14 . 1 1 68 68 THR H H 68 7.104 7.104 7.845 -0.741 25515 7586 1 14 . 1 1 69 69 ASP N N 69 125.057 125.057 121.107 3.950 25515 7587 1 14 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.621 0.080 25515 7588 1 14 . 1 1 69 69 ASP C C 69 177.204 177.204 176.364 0.840 25515 7589 1 14 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.336 -0.577 25515 7590 1 14 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.157 -0.406 25515 7591 1 14 . 1 1 69 69 ASP H H 69 7.076 7.076 7.308 -0.232 25515 7592 1 14 . 1 1 70 70 ALA N N 70 128.178 128.178 128.790 -0.612 25515 7593 1 14 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.077 -0.180 25515 7594 1 14 . 1 1 70 70 ALA C C 70 171.909 171.909 178.962 -7.053 25515 7595 1 14 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.129 0.697 25515 7596 1 14 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.882 -0.408 25515 7597 1 14 . 1 1 70 70 ALA H H 70 8.761 8.761 8.725 0.036 25515 7598 1 14 . 1 1 71 71 THR N N 71 113.629 113.629 115.523 -1.894 25515 7599 1 14 . 1 1 71 71 THR HA H 71 3.981 3.981 4.139 -0.158 25515 7600 1 14 . 1 1 71 71 THR C C 71 175.038 175.038 176.638 -1.600 25515 7601 1 14 . 1 1 71 71 THR CA C 71 66.164 66.164 66.590 -0.426 25515 7602 1 14 . 1 1 71 71 THR CB C 71 68.319 68.319 68.784 -0.465 25515 7603 1 14 . 1 1 71 71 THR H H 71 7.957 7.957 8.000 -0.043 25515 7604 1 14 . 1 1 72 72 LYS N N 72 122.501 122.501 120.994 1.507 25515 7605 1 14 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.089 -0.279 25515 7606 1 14 . 1 1 72 72 LYS C C 72 173.814 173.814 178.785 -4.971 25515 7607 1 14 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.704 0.587 25515 7608 1 14 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.172 0.634 25515 7609 1 14 . 1 1 72 72 LYS H H 72 8.309 8.309 9.125 -0.816 25515 7610 1 14 . 1 1 73 73 ARG N N 73 120.595 120.595 118.321 2.274 25515 7611 1 14 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.181 -0.578 25515 7612 1 14 . 1 1 73 73 ARG C C 73 174.477 174.477 177.897 -3.420 25515 7613 1 14 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.648 2.181 25515 7614 1 14 . 1 1 73 73 ARG H H 73 9.258 9.258 7.658 1.600 25515 7615 1 14 . 1 1 74 74 ASN N N 74 115.425 115.425 119.353 -3.928 25515 7616 1 14 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.514 -0.083 25515 7617 1 14 . 1 1 74 74 ASN C C 74 174.296 174.296 177.979 -3.683 25515 7618 1 14 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.677 0.033 25515 7619 1 14 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.428 0.302 25515 7620 1 14 . 1 1 74 74 ASN H H 74 7.534 7.534 7.925 -0.391 25515 7621 1 14 . 1 1 75 75 ILE N N 75 119.020 119.020 118.594 0.426 25515 7622 1 14 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.885 -0.252 25515 7623 1 14 . 1 1 75 75 ILE C C 75 174.667 174.667 177.260 -2.593 25515 7624 1 14 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.988 1.517 25515 7625 1 14 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.492 1.733 25515 7626 1 14 . 1 1 75 75 ILE H H 75 7.656 7.656 8.388 -0.732 25515 7627 1 14 . 1 1 76 76 TYR N N 76 121.913 121.913 122.578 -0.665 25515 7628 1 14 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.047 -0.032 25515 7629 1 14 . 1 1 76 76 TYR C C 76 173.323 173.323 177.112 -3.789 25515 7630 1 14 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.959 -0.412 25515 7631 1 14 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.295 0.458 25515 7632 1 14 . 1 1 76 76 TYR H H 76 8.894 8.894 7.815 1.079 25515 7633 1 14 . 1 1 77 77 ASP N N 77 120.151 120.151 117.027 3.124 25515 7634 1 14 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.253 0.084 25515 7635 1 14 . 1 1 77 77 ASP C C 77 174.321 174.321 177.590 -3.269 25515 7636 1 14 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.615 1.304 25515 7637 1 14 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.139 -1.154 25515 7638 1 14 . 1 1 77 77 ASP H H 77 9.151 9.151 7.859 1.292 25515 7639 1 14 . 1 1 78 78 LYS N N 78 117.659 117.659 119.170 -1.511 25515 7640 1 14 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.913 0.014 25515 7641 1 14 . 1 1 78 78 LYS C C 78 174.237 174.237 177.156 -2.919 25515 7642 1 14 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.383 0.030 25515 7643 1 14 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.789 0.853 25515 7644 1 14 . 1 1 78 78 LYS H H 78 7.378 7.378 7.797 -0.419 25515 7645 1 14 . 1 1 79 79 TYR N N 79 115.151 115.151 114.504 0.647 25515 7646 1 14 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.574 0.046 25515 7647 1 14 . 1 1 79 79 TYR C C 79 175.424 175.424 176.919 -1.495 25515 7648 1 14 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.830 -2.257 25515 7649 1 14 . 1 1 79 79 TYR H H 79 8.505 8.505 8.138 0.367 25515 7650 1 14 . 1 1 80 80 GLY N N 80 110.813 110.813 107.271 3.542 25515 7651 1 14 . 1 1 80 80 GLY C C 80 177.481 177.481 175.619 1.862 25515 7652 1 14 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.236 -0.691 25515 7653 1 14 . 1 1 80 80 GLY H H 80 8.222 8.222 8.419 -0.197 25515 7654 1 14 . 1 1 81 81 SER N N 81 117.578 117.578 117.307 0.271 25515 7655 1 14 . 1 1 81 81 SER C C 81 174.532 174.532 176.238 -1.706 25515 7656 1 14 . 1 1 81 81 SER CA C 81 61.579 61.579 60.575 1.004 25515 7657 1 14 . 1 1 81 81 SER H H 81 8.883 8.883 8.433 0.450 25515 7658 1 14 . 1 1 82 82 LEU N N 82 123.998 123.998 122.082 1.916 25515 7659 1 14 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.652 -0.381 25515 7660 1 14 . 1 1 82 82 LEU C C 82 173.400 173.400 178.625 -5.225 25515 7661 1 14 . 1 1 82 82 LEU CA C 82 57.932 57.932 56.710 1.222 25515 7662 1 14 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.948 -0.561 25515 7663 1 14 . 1 1 82 82 LEU H H 82 8.920 8.920 8.039 0.881 25515 7664 1 14 . 1 1 83 83 GLY N N 83 105.677 105.677 107.579 -1.902 25515 7665 1 14 . 1 1 83 83 GLY C C 83 177.230 177.230 176.514 0.716 25515 7666 1 14 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.879 -0.231 25515 7667 1 14 . 1 1 83 83 GLY H H 83 7.565 7.565 9.015 -1.450 25515 7668 1 14 . 1 1 84 84 LEU N N 84 119.542 119.542 121.598 -2.056 25515 7669 1 14 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.244 -0.185 25515 7670 1 14 . 1 1 84 84 LEU C C 84 173.036 173.036 177.835 -4.799 25515 7671 1 14 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.120 0.313 25515 7672 1 14 . 1 1 84 84 LEU H H 84 7.495 7.495 7.609 -0.114 25515 7673 1 14 . 1 1 85 85 TYR N N 85 121.424 121.424 118.724 2.700 25515 7674 1 14 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.530 -0.272 25515 7675 1 14 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.459 0.511 25515 7676 1 14 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.786 0.521 25515 7677 1 14 . 1 1 85 85 TYR H H 85 7.894 7.894 7.637 0.257 25515 7678 1 14 . 1 1 86 86 VAL N N 86 120.088 120.088 119.362 0.726 25515 7679 1 14 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.377 -0.101 25515 7680 1 14 . 1 1 86 86 VAL C C 86 174.300 174.300 177.316 -3.016 25515 7681 1 14 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.421 1.888 25515 7682 1 14 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.064 0.610 25515 7683 1 14 . 1 1 86 86 VAL H H 86 8.402 8.402 8.438 -0.036 25515 7684 1 14 . 1 1 87 87 ALA N N 87 121.800 121.800 122.478 -0.678 25515 7685 1 14 . 1 1 87 87 ALA HA H 87 3.737 3.737 3.989 -0.252 25515 7686 1 14 . 1 1 87 87 ALA C C 87 172.312 172.312 179.271 -6.959 25515 7687 1 14 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.912 -0.469 25515 7688 1 14 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.395 0.006 25515 7689 1 14 . 1 1 87 87 ALA H H 87 8.317 8.317 7.556 0.761 25515 7690 1 14 . 1 1 88 88 GLU N N 88 118.012 118.012 118.315 -0.303 25515 7691 1 14 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.018 -0.143 25515 7692 1 14 . 1 1 88 88 GLU C C 88 174.071 174.071 179.023 -4.952 25515 7693 1 14 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.835 -0.069 25515 7694 1 14 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.612 -0.063 25515 7695 1 14 . 1 1 88 88 GLU H H 88 7.777 7.777 7.949 -0.172 25515 7696 1 14 . 1 1 89 89 GLN N N 89 116.164 116.164 117.671 -1.507 25515 7697 1 14 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.029 -0.318 25515 7698 1 14 . 1 1 89 89 GLN C C 89 174.572 174.572 177.760 -3.188 25515 7699 1 14 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.984 -0.939 25515 7700 1 14 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.085 -0.421 25515 7701 1 14 . 1 1 89 89 GLN H H 89 7.704 7.704 7.636 0.068 25515 7702 1 14 . 1 1 90 90 PHE N N 90 114.734 114.734 116.635 -1.901 25515 7703 1 14 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.436 0.274 25515 7704 1 14 . 1 1 90 90 PHE C C 90 175.715 175.715 175.995 -0.280 25515 7705 1 14 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.189 -1.784 25515 7706 1 14 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.107 0.096 25515 7707 1 14 . 1 1 90 90 PHE H H 90 8.241 8.241 8.151 0.090 25515 7708 1 14 . 1 1 91 91 GLY N N 91 111.234 111.234 106.690 4.544 25515 7709 1 14 . 1 1 91 91 GLY C C 91 176.788 176.788 174.271 2.517 25515 7710 1 14 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.761 0.409 25515 7711 1 14 . 1 1 91 91 GLY H H 91 7.668 7.668 7.503 0.165 25515 7712 1 14 . 1 1 92 92 GLU N N 92 123.392 123.392 124.457 -1.065 25515 7713 1 14 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.944 -0.102 25515 7714 1 14 . 1 1 92 92 GLU C C 92 174.798 174.798 178.036 -3.238 25515 7715 1 14 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.584 -0.326 25515 7716 1 14 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.574 0.044 25515 7717 1 14 . 1 1 92 92 GLU H H 92 8.793 8.793 8.765 0.028 25515 7718 1 14 . 1 1 93 93 GLU N N 93 118.621 118.621 116.821 1.800 25515 7719 1 14 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.113 0.072 25515 7720 1 14 . 1 1 93 93 GLU C C 93 175.143 175.143 177.012 -1.869 25515 7721 1 14 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.401 -0.516 25515 7722 1 14 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.907 0.160 25515 7723 1 14 . 1 1 93 93 GLU H H 93 9.356 9.356 8.793 0.563 25515 7724 1 14 . 1 1 94 94 ASN N N 94 116.563 116.563 117.689 -1.126 25515 7725 1 14 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.854 0.057 25515 7726 1 14 . 1 1 94 94 ASN C C 94 176.192 176.192 177.615 -1.423 25515 7727 1 14 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.638 -1.327 25515 7728 1 14 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.729 0.015 25515 7729 1 14 . 1 1 94 94 ASN H H 94 7.881 7.881 7.819 0.062 25515 7730 1 14 . 1 1 95 95 VAL N N 95 119.858 119.858 119.340 0.518 25515 7731 1 14 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.701 0.039 25515 7732 1 14 . 1 1 95 95 VAL C C 95 175.715 175.715 176.787 -1.072 25515 7733 1 14 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.814 -1.316 25515 7734 1 14 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.100 0.866 25515 7735 1 14 . 1 1 95 95 VAL H H 95 7.405 7.405 8.642 -1.237 25515 7736 1 14 . 1 1 96 96 ASN N N 96 116.409 116.409 117.018 -0.609 25515 7737 1 14 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.580 -0.122 25515 7738 1 14 . 1 1 96 96 ASN C C 96 175.322 175.322 176.545 -1.223 25515 7739 1 14 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.726 -0.008 25515 7740 1 14 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.120 0.096 25515 7741 1 14 . 1 1 96 96 ASN H H 96 8.356 8.356 8.238 0.118 25515 7742 1 14 . 1 1 97 97 THR N N 97 111.266 111.266 114.473 -3.207 25515 7743 1 14 . 1 1 97 97 THR HA H 97 3.993 3.993 4.174 -0.181 25515 7744 1 14 . 1 1 97 97 THR C C 97 177.418 177.418 175.366 2.052 25515 7745 1 14 . 1 1 97 97 THR CA C 97 63.604 63.604 64.863 -1.259 25515 7746 1 14 . 1 1 97 97 THR CB C 97 69.162 69.162 69.070 0.092 25515 7747 1 14 . 1 1 97 97 THR H H 97 7.575 7.575 8.295 -0.720 25515 7748 1 14 . 1 1 98 98 TYR N N 98 119.963 119.963 119.870 0.093 25515 7749 1 14 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.342 -0.020 25515 7750 1 14 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.383 -1.185 25515 7751 1 14 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.432 -0.188 25515 7752 1 14 . 1 1 98 98 TYR H H 98 7.480 7.480 7.773 -0.293 25515 7753 1 14 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.461 0.099 25515 7754 1 14 . 1 1 99 99 PHE C C 99 177.317 177.317 175.884 1.433 25515 7755 1 14 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.795 -0.802 25515 7756 1 14 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.830 0.812 25515 7757 1 15 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.671 -0.380 25515 7758 1 15 . 1 1 2 2 ALA C C 2 175.019 175.019 175.672 -0.653 25515 7759 1 15 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.660 0.911 25515 7760 1 15 . 1 1 2 2 ALA CB C 2 19.119 19.119 21.164 -2.045 25515 7761 1 15 . 1 1 3 3 ASP N N 3 120.192 120.192 122.656 -2.464 25515 7762 1 15 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.633 -0.148 25515 7763 1 15 . 1 1 3 3 ASP C C 3 175.549 175.549 175.675 -0.126 25515 7764 1 15 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.742 0.509 25515 7765 1 15 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.333 -0.101 25515 7766 1 15 . 1 1 3 3 ASP H H 3 8.336 8.336 8.529 -0.193 25515 7767 1 15 . 1 1 4 4 GLN N N 4 121.286 121.286 122.595 -1.309 25515 7768 1 15 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.691 -0.489 25515 7769 1 15 . 1 1 4 4 GLN C C 4 175.579 175.579 175.468 0.111 25515 7770 1 15 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.122 1.204 25515 7771 1 15 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.291 -0.174 25515 7772 1 15 . 1 1 4 4 GLN H H 4 8.404 8.404 8.539 -0.135 25515 7773 1 15 . 1 1 5 5 ARG N N 5 121.138 121.138 122.373 -1.235 25515 7774 1 15 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.527 -0.363 25515 7775 1 15 . 1 1 5 5 ARG C C 5 175.327 175.327 176.085 -0.758 25515 7776 1 15 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.002 0.775 25515 7777 1 15 . 1 1 5 5 ARG CB C 5 30.511 30.511 31.844 -1.333 25515 7778 1 15 . 1 1 5 5 ARG H H 5 8.281 8.281 8.844 -0.563 25515 7779 1 15 . 1 1 6 6 GLN N N 6 120.348 120.348 117.931 2.417 25515 7780 1 15 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.679 -0.490 25515 7781 1 15 . 1 1 6 6 GLN C C 6 175.838 175.838 175.409 0.429 25515 7782 1 15 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.519 1.689 25515 7783 1 15 . 1 1 6 6 GLN CB C 6 29.131 29.131 32.235 -3.104 25515 7784 1 15 . 1 1 6 6 GLN H H 6 8.253 8.253 7.725 0.528 25515 7785 1 15 . 1 1 7 7 ARG N N 7 121.761 121.761 123.595 -1.834 25515 7786 1 15 . 1 1 7 7 ARG HA H 7 4.241 4.241 3.997 0.244 25515 7787 1 15 . 1 1 7 7 ARG C C 7 175.708 175.708 178.071 -2.363 25515 7788 1 15 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.620 -3.284 25515 7789 1 15 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.073 0.698 25515 7790 1 15 . 1 1 7 7 ARG H H 7 8.211 8.211 8.996 -0.785 25515 7791 1 15 . 1 1 8 8 SER N N 8 116.450 116.450 112.155 4.295 25515 7792 1 15 . 1 1 8 8 SER HA H 8 4.384 4.384 4.327 0.057 25515 7793 1 15 . 1 1 8 8 SER C C 8 177.569 177.569 175.218 2.351 25515 7794 1 15 . 1 1 8 8 SER CA C 8 58.298 58.298 61.034 -2.736 25515 7795 1 15 . 1 1 8 8 SER CB C 8 63.786 63.786 62.761 1.025 25515 7796 1 15 . 1 1 8 8 SER H H 8 8.220 8.220 8.522 -0.302 25515 7797 1 15 . 1 1 9 9 LEU N N 9 123.709 123.709 116.945 6.764 25515 7798 1 15 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.571 -0.217 25515 7799 1 15 . 1 1 9 9 LEU C C 9 174.915 174.915 177.875 -2.960 25515 7800 1 15 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.596 -1.621 25515 7801 1 15 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.871 0.807 25515 7802 1 15 . 1 1 9 9 LEU H H 9 8.091 8.091 7.322 0.769 25515 7803 1 15 . 1 1 10 10 SER N N 10 115.478 115.478 115.343 0.135 25515 7804 1 15 . 1 1 10 10 SER HA H 10 4.561 4.561 4.446 0.115 25515 7805 1 15 . 1 1 10 10 SER C C 10 177.096 177.096 175.076 2.020 25515 7806 1 15 . 1 1 10 10 SER CA C 10 58.016 58.016 61.084 -3.068 25515 7807 1 15 . 1 1 10 10 SER CB C 10 64.062 64.062 64.429 -0.367 25515 7808 1 15 . 1 1 10 10 SER H H 10 8.187 8.187 7.889 0.298 25515 7809 1 15 . 1 1 11 11 THR N N 11 114.393 114.393 115.088 -0.695 25515 7810 1 15 . 1 1 11 11 THR HA H 11 4.516 4.516 4.686 -0.170 25515 7811 1 15 . 1 1 11 11 THR C C 11 177.232 177.232 174.253 2.979 25515 7812 1 15 . 1 1 11 11 THR CA C 11 61.740 61.740 60.545 1.195 25515 7813 1 15 . 1 1 11 11 THR CB C 11 69.478 69.478 69.620 -0.142 25515 7814 1 15 . 1 1 11 11 THR H H 11 8.180 8.180 8.012 0.168 25515 7815 1 15 . 1 1 12 12 SER N N 12 117.125 117.125 120.737 -3.612 25515 7816 1 15 . 1 1 12 12 SER HA H 12 4.391 4.391 4.594 -0.203 25515 7817 1 15 . 1 1 12 12 SER C C 12 176.856 176.856 175.470 1.386 25515 7818 1 15 . 1 1 12 12 SER CA C 12 58.537 58.537 58.578 -0.041 25515 7819 1 15 . 1 1 12 12 SER CB C 12 63.915 63.915 64.238 -0.323 25515 7820 1 15 . 1 1 12 12 SER H H 12 8.171 8.171 8.532 -0.361 25515 7821 1 15 . 1 1 13 13 GLY N N 13 111.544 111.544 108.897 2.647 25515 7822 1 15 . 1 1 13 13 GLY C C 13 178.243 178.243 174.062 4.181 25515 7823 1 15 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.380 0.100 25515 7824 1 15 . 1 1 13 13 GLY H H 13 8.381 8.381 8.541 -0.160 25515 7825 1 15 . 1 1 14 14 GLU N N 14 119.223 119.223 121.034 -1.811 25515 7826 1 15 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.828 -0.388 25515 7827 1 15 . 1 1 14 14 GLU C C 14 174.876 174.876 176.344 -1.468 25515 7828 1 15 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.611 0.813 25515 7829 1 15 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.122 -0.144 25515 7830 1 15 . 1 1 14 14 GLU H H 14 8.149 8.149 7.960 0.189 25515 7831 1 15 . 1 1 15 15 SER N N 15 117.752 117.752 116.855 0.897 25515 7832 1 15 . 1 1 15 15 SER H H 15 8.437 8.437 8.811 -0.374 25515 7833 1 15 . 1 1 16 16 LEU N N 16 121.072 121.072 122.920 -1.848 25515 7834 1 15 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.108 -0.247 25515 7835 1 15 . 1 1 16 16 LEU C C 16 174.423 174.423 178.835 -4.412 25515 7836 1 15 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.489 -0.064 25515 7837 1 15 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.108 0.568 25515 7838 1 15 . 1 1 16 16 LEU H H 16 8.233 8.233 8.437 -0.204 25515 7839 1 15 . 1 1 17 17 TYR N N 17 111.961 111.961 115.116 -3.155 25515 7840 1 15 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.109 -0.447 25515 7841 1 15 . 1 1 17 17 TYR C C 17 173.256 173.256 178.132 -4.876 25515 7842 1 15 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.937 -0.071 25515 7843 1 15 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.574 -0.167 25515 7844 1 15 . 1 1 17 17 TYR H H 17 6.929 6.929 8.127 -1.198 25515 7845 1 15 . 1 1 18 18 HIS N N 18 119.254 119.254 117.519 1.735 25515 7846 1 15 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.376 0.063 25515 7847 1 15 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.495 -0.581 25515 7848 1 15 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.385 -0.770 25515 7849 1 15 . 1 1 18 18 HIS H H 18 7.672 7.672 7.788 -0.116 25515 7850 1 15 . 1 1 19 19 VAL N N 19 120.746 120.746 117.700 3.046 25515 7851 1 15 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.861 -0.156 25515 7852 1 15 . 1 1 19 19 VAL C C 19 175.643 175.643 177.183 -1.540 25515 7853 1 15 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.062 0.470 25515 7854 1 15 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.956 -0.491 25515 7855 1 15 . 1 1 19 19 VAL H H 19 7.883 7.883 7.438 0.445 25515 7856 1 15 . 1 1 20 20 LEU N N 20 114.576 114.576 117.059 -2.483 25515 7857 1 15 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.349 0.012 25515 7858 1 15 . 1 1 20 20 LEU C C 20 175.746 175.746 176.873 -1.127 25515 7859 1 15 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.631 -1.350 25515 7860 1 15 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.521 0.379 25515 7861 1 15 . 1 1 20 20 LEU H H 20 6.626 6.626 7.282 -0.656 25515 7862 1 15 . 1 1 21 21 GLY N N 21 109.239 109.239 106.371 2.868 25515 7863 1 15 . 1 1 21 21 GLY C C 21 177.637 177.637 174.364 3.273 25515 7864 1 15 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.587 0.696 25515 7865 1 15 . 1 1 21 21 GLY H H 21 7.991 7.991 7.585 0.406 25515 7866 1 15 . 1 1 22 22 LEU N N 22 119.495 119.495 115.880 3.615 25515 7867 1 15 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.966 -0.199 25515 7868 1 15 . 1 1 22 22 LEU C C 22 177.306 177.306 174.971 2.335 25515 7869 1 15 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.411 -0.529 25515 7870 1 15 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.284 2.623 25515 7871 1 15 . 1 1 22 22 LEU H H 22 7.765 7.765 7.569 0.196 25515 7872 1 15 . 1 1 23 23 ASP N N 23 118.518 118.518 118.956 -0.438 25515 7873 1 15 . 1 1 23 23 ASP HA H 23 4.589 4.589 5.037 -0.448 25515 7874 1 15 . 1 1 23 23 ASP C C 23 176.597 176.597 177.830 -1.233 25515 7875 1 15 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.986 -0.955 25515 7876 1 15 . 1 1 23 23 ASP CB C 23 43.481 43.481 41.754 1.727 25515 7877 1 15 . 1 1 23 23 ASP H H 23 7.977 7.977 8.425 -0.448 25515 7878 1 15 . 1 1 24 24 LYS N N 24 115.499 115.499 118.003 -2.504 25515 7879 1 15 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.177 -1.025 25515 7880 1 15 . 1 1 24 24 LYS C C 24 176.231 176.231 175.909 0.322 25515 7881 1 15 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.589 -0.522 25515 7882 1 15 . 1 1 24 24 LYS CB C 24 32.362 32.362 30.974 1.388 25515 7883 1 15 . 1 1 24 24 LYS H H 24 7.811 7.811 8.545 -0.734 25515 7884 1 15 . 1 1 25 25 ASN N N 25 115.622 115.622 116.641 -1.019 25515 7885 1 15 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.783 -0.258 25515 7886 1 15 . 1 1 25 25 ASN C C 25 176.698 176.698 174.669 2.029 25515 7887 1 15 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.770 0.103 25515 7888 1 15 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.987 -0.913 25515 7889 1 15 . 1 1 25 25 ASN H H 25 7.817 7.817 7.948 -0.131 25515 7890 1 15 . 1 1 26 26 ALA N N 26 122.970 122.970 124.043 -1.073 25515 7891 1 15 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.500 -0.141 25515 7892 1 15 . 1 1 26 26 ALA C C 26 173.847 173.847 175.941 -2.094 25515 7893 1 15 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.435 0.482 25515 7894 1 15 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.205 0.762 25515 7895 1 15 . 1 1 26 26 ALA H H 26 7.646 7.646 7.432 0.214 25515 7896 1 15 . 1 1 27 27 THR N N 27 113.252 113.252 112.692 0.560 25515 7897 1 15 . 1 1 27 27 THR HA H 27 4.657 4.657 4.532 0.125 25515 7898 1 15 . 1 1 27 27 THR C C 27 175.986 175.986 176.020 -0.034 25515 7899 1 15 . 1 1 27 27 THR CA C 27 60.427 60.427 59.160 1.267 25515 7900 1 15 . 1 1 27 27 THR CB C 27 71.702 71.702 70.635 1.067 25515 7901 1 15 . 1 1 27 27 THR H H 27 9.089 9.089 8.090 0.999 25515 7902 1 15 . 1 1 28 28 SER N N 28 115.961 115.961 118.119 -2.158 25515 7903 1 15 . 1 1 28 28 SER HA H 28 3.930 3.930 3.963 -0.033 25515 7904 1 15 . 1 1 28 28 SER C C 28 175.440 175.440 176.215 -0.775 25515 7905 1 15 . 1 1 28 28 SER CA C 28 62.515 62.515 62.880 -0.365 25515 7906 1 15 . 1 1 28 28 SER CB C 28 62.713 62.713 62.921 -0.208 25515 7907 1 15 . 1 1 28 28 SER H H 28 9.095 9.095 8.790 0.305 25515 7908 1 15 . 1 1 29 29 ASP N N 29 119.797 119.797 120.327 -0.530 25515 7909 1 15 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.421 -0.018 25515 7910 1 15 . 1 1 29 29 ASP C C 29 173.862 173.862 178.356 -4.494 25515 7911 1 15 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.413 0.370 25515 7912 1 15 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.853 0.198 25515 7913 1 15 . 1 1 29 29 ASP H H 29 8.122 8.122 8.448 -0.326 25515 7914 1 15 . 1 1 30 30 ASP N N 30 120.847 120.847 119.164 1.683 25515 7915 1 15 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.594 -0.247 25515 7916 1 15 . 1 1 30 30 ASP C C 30 172.627 172.627 178.746 -6.119 25515 7917 1 15 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.931 0.758 25515 7918 1 15 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.141 -0.159 25515 7919 1 15 . 1 1 30 30 ASP H H 30 7.851 7.851 7.748 0.103 25515 7920 1 15 . 1 1 31 31 ILE N N 31 121.776 121.776 120.851 0.925 25515 7921 1 15 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.590 -0.074 25515 7922 1 15 . 1 1 31 31 ILE C C 31 174.709 174.709 178.066 -3.357 25515 7923 1 15 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.490 -0.004 25515 7924 1 15 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.929 0.312 25515 7925 1 15 . 1 1 31 31 ILE H H 31 8.122 8.122 8.189 -0.067 25515 7926 1 15 . 1 1 32 32 LYS N N 32 119.510 119.510 119.621 -0.111 25515 7927 1 15 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.393 -0.316 25515 7928 1 15 . 1 1 32 32 LYS C C 32 172.959 172.959 179.033 -6.074 25515 7929 1 15 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.592 1.243 25515 7930 1 15 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.586 -0.082 25515 7931 1 15 . 1 1 32 32 LYS H H 32 8.172 8.172 7.888 0.284 25515 7932 1 15 . 1 1 33 33 LYS N N 33 119.042 119.042 120.521 -1.479 25515 7933 1 15 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.049 -0.081 25515 7934 1 15 . 1 1 33 33 LYS C C 33 172.323 172.323 179.163 -6.840 25515 7935 1 15 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.705 0.301 25515 7936 1 15 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.335 0.378 25515 7937 1 15 . 1 1 33 33 LYS H H 33 8.342 8.342 7.758 0.584 25515 7938 1 15 . 1 1 34 34 SER N N 34 115.060 115.060 115.653 -0.593 25515 7939 1 15 . 1 1 34 34 SER HA H 34 4.260 4.260 4.183 0.077 25515 7940 1 15 . 1 1 34 34 SER C C 34 175.503 175.503 176.128 -0.625 25515 7941 1 15 . 1 1 34 34 SER CA C 34 61.734 61.734 62.229 -0.495 25515 7942 1 15 . 1 1 34 34 SER CB C 34 63.088 63.088 63.158 -0.070 25515 7943 1 15 . 1 1 34 34 SER H H 34 8.161 8.161 8.555 -0.394 25515 7944 1 15 . 1 1 35 35 TYR N N 35 119.241 119.241 123.105 -3.864 25515 7945 1 15 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.031 -0.157 25515 7946 1 15 . 1 1 35 35 TYR C C 35 176.352 176.352 176.896 -0.544 25515 7947 1 15 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.533 0.336 25515 7948 1 15 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.377 0.413 25515 7949 1 15 . 1 1 35 35 TYR H H 35 8.499 8.499 7.806 0.693 25515 7950 1 15 . 1 1 36 36 ARG N N 36 116.674 116.674 117.816 -1.142 25515 7951 1 15 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.557 -0.104 25515 7952 1 15 . 1 1 36 36 ARG C C 36 173.135 173.135 178.677 -5.542 25515 7953 1 15 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.738 0.872 25515 7954 1 15 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.311 0.568 25515 7955 1 15 . 1 1 36 36 ARG H H 36 7.967 7.967 7.935 0.032 25515 7956 1 15 . 1 1 37 37 LYS N N 37 116.974 116.974 118.995 -2.021 25515 7957 1 15 . 1 1 37 37 LYS HA H 37 3.970 3.970 4.006 -0.036 25515 7958 1 15 . 1 1 37 37 LYS C C 37 172.489 172.489 179.675 -7.186 25515 7959 1 15 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.358 0.018 25515 7960 1 15 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.250 0.507 25515 7961 1 15 . 1 1 37 37 LYS H H 37 7.275 7.275 8.151 -0.876 25515 7962 1 15 . 1 1 38 38 LEU N N 38 120.978 120.978 118.669 2.309 25515 7963 1 15 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.293 -0.270 25515 7964 1 15 . 1 1 38 38 LEU C C 38 173.557 173.557 178.384 -4.827 25515 7965 1 15 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.452 0.952 25515 7966 1 15 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.200 0.168 25515 7967 1 15 . 1 1 38 38 LEU H H 38 8.268 8.268 7.679 0.589 25515 7968 1 15 . 1 1 39 39 ALA N N 39 122.700 122.700 122.939 -0.239 25515 7969 1 15 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.845 0.040 25515 7970 1 15 . 1 1 39 39 ALA C C 39 172.721 172.721 179.509 -6.788 25515 7971 1 15 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.465 -0.025 25515 7972 1 15 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.187 -1.237 25515 7973 1 15 . 1 1 39 39 ALA H H 39 9.043 9.043 8.374 0.669 25515 7974 1 15 . 1 1 40 40 LEU N N 40 114.462 114.462 114.574 -0.112 25515 7975 1 15 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.222 -0.190 25515 7976 1 15 . 1 1 40 40 LEU C C 40 173.110 173.110 179.304 -6.194 25515 7977 1 15 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.996 0.313 25515 7978 1 15 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.160 1.874 25515 7979 1 15 . 1 1 40 40 LEU H H 40 6.862 6.862 7.593 -0.731 25515 7980 1 15 . 1 1 41 41 LYS N N 41 118.126 118.126 121.448 -3.322 25515 7981 1 15 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.825 0.017 25515 7982 1 15 . 1 1 41 41 LYS C C 41 173.695 173.695 177.662 -3.967 25515 7983 1 15 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.055 -0.313 25515 7984 1 15 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.322 0.665 25515 7985 1 15 . 1 1 41 41 LYS H H 41 7.135 7.135 7.906 -0.771 25515 7986 1 15 . 1 1 42 42 TYR N N 42 113.902 113.902 113.776 0.126 25515 7987 1 15 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.684 -0.194 25515 7988 1 15 . 1 1 42 42 TYR C C 42 178.884 178.884 174.960 3.924 25515 7989 1 15 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.648 0.365 25515 7990 1 15 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.505 0.004 25515 7991 1 15 . 1 1 42 42 TYR H H 42 7.756 7.756 7.927 -0.171 25515 7992 1 15 . 1 1 43 43 HIS N N 43 120.909 120.909 123.032 -2.123 25515 7993 1 15 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.446 -0.974 25515 7994 1 15 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.761 0.138 25515 7995 1 15 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.357 -0.232 25515 7996 1 15 . 1 1 43 43 HIS H H 43 7.134 7.134 7.848 -0.714 25515 7997 1 15 . 1 1 44 44 PRO HA H 44 3.998 3.998 3.892 0.106 25515 7998 1 15 . 1 1 44 44 PRO C C 44 172.774 172.774 178.313 -5.539 25515 7999 1 15 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.803 -0.198 25515 8000 1 15 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.397 0.213 25515 8001 1 15 . 1 1 45 45 ASP N N 45 121.379 121.379 115.712 5.667 25515 8002 1 15 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.456 -0.099 25515 8003 1 15 . 1 1 45 45 ASP C C 45 173.968 173.968 177.055 -3.087 25515 8004 1 15 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.066 1.705 25515 8005 1 15 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.688 -0.564 25515 8006 1 15 . 1 1 45 45 ASP H H 45 10.727 10.727 8.261 2.466 25515 8007 1 15 . 1 1 46 46 LYS N N 46 115.902 115.902 117.662 -1.760 25515 8008 1 15 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.227 0.131 25515 8009 1 15 . 1 1 46 46 LYS C C 46 176.450 176.450 176.519 -0.069 25515 8010 1 15 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.250 -1.476 25515 8011 1 15 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.323 0.866 25515 8012 1 15 . 1 1 46 46 LYS H H 46 7.475 7.475 8.156 -0.681 25515 8013 1 15 . 1 1 47 47 ASN N N 47 117.709 117.709 119.841 -2.132 25515 8014 1 15 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.038 0.112 25515 8015 1 15 . 1 1 47 47 ASN C C 47 170.657 170.657 173.798 -3.141 25515 8016 1 15 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.065 0.475 25515 8017 1 15 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.399 2.157 25515 8018 1 15 . 1 1 47 47 ASN H H 47 7.410 7.410 7.445 -0.035 25515 8019 1 15 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.629 -0.263 25515 8020 1 15 . 1 1 48 48 PRO C C 48 174.739 174.739 176.298 -1.559 25515 8021 1 15 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.138 1.974 25515 8022 1 15 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.634 -1.110 25515 8023 1 15 . 1 1 49 49 ASP N N 49 117.619 117.619 117.443 0.176 25515 8024 1 15 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.455 -0.078 25515 8025 1 15 . 1 1 49 49 ASP C C 49 177.335 177.335 176.156 1.179 25515 8026 1 15 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.484 -0.899 25515 8027 1 15 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.962 -0.707 25515 8028 1 15 . 1 1 49 49 ASP H H 49 8.679 8.679 8.303 0.376 25515 8029 1 15 . 1 1 50 50 ASN N N 50 114.537 114.537 118.160 -3.623 25515 8030 1 15 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.701 0.499 25515 8031 1 15 . 1 1 50 50 ASN C C 50 178.245 178.245 174.403 3.842 25515 8032 1 15 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.339 -2.204 25515 8033 1 15 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.611 0.965 25515 8034 1 15 . 1 1 50 50 ASN H H 50 7.341 7.341 8.338 -0.997 25515 8035 1 15 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.542 -0.178 25515 8036 1 15 . 1 1 51 51 PRO C C 51 173.714 173.714 177.749 -4.035 25515 8037 1 15 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.321 1.297 25515 8038 1 15 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.956 0.145 25515 8039 1 15 . 1 1 52 52 GLU N N 52 118.597 118.597 121.176 -2.579 25515 8040 1 15 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.073 0.115 25515 8041 1 15 . 1 1 52 52 GLU C C 52 173.216 173.216 177.783 -4.567 25515 8042 1 15 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.129 -1.179 25515 8043 1 15 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.314 -0.116 25515 8044 1 15 . 1 1 52 52 GLU H H 52 8.048 8.048 8.805 -0.757 25515 8045 1 15 . 1 1 53 53 ALA N N 53 122.149 122.149 121.100 1.049 25515 8046 1 15 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.194 -0.220 25515 8047 1 15 . 1 1 53 53 ALA C C 53 173.485 173.485 179.310 -5.825 25515 8048 1 15 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.029 0.042 25515 8049 1 15 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.187 -0.410 25515 8050 1 15 . 1 1 53 53 ALA H H 53 7.606 7.606 7.835 -0.229 25515 8051 1 15 . 1 1 54 54 ALA N N 54 119.475 119.475 121.096 -1.621 25515 8052 1 15 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.102 0.125 25515 8053 1 15 . 1 1 54 54 ALA C C 54 171.125 171.125 179.358 -8.233 25515 8054 1 15 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.731 0.440 25515 8055 1 15 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.358 -0.511 25515 8056 1 15 . 1 1 54 54 ALA H H 54 7.680 7.680 8.158 -0.478 25515 8057 1 15 . 1 1 55 55 ASP N N 55 120.134 120.134 119.536 0.598 25515 8058 1 15 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.343 0.078 25515 8059 1 15 . 1 1 55 55 ASP C C 55 173.088 173.088 178.854 -5.766 25515 8060 1 15 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.954 -0.548 25515 8061 1 15 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.670 -0.341 25515 8062 1 15 . 1 1 55 55 ASP H H 55 7.983 7.983 8.573 -0.590 25515 8063 1 15 . 1 1 56 56 LYS N N 56 120.915 120.915 119.911 1.004 25515 8064 1 15 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.903 0.007 25515 8065 1 15 . 1 1 56 56 LYS C C 56 173.210 173.210 178.692 -5.482 25515 8066 1 15 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.492 -0.011 25515 8067 1 15 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.556 -0.648 25515 8068 1 15 . 1 1 56 56 LYS H H 56 7.758 7.758 7.940 -0.182 25515 8069 1 15 . 1 1 57 57 PHE N N 57 120.024 120.024 120.627 -0.603 25515 8070 1 15 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.030 -0.025 25515 8071 1 15 . 1 1 57 57 PHE C C 57 174.430 174.430 177.141 -2.711 25515 8072 1 15 . 1 1 57 57 PHE CA C 57 61.540 61.540 61.950 -0.409 25515 8073 1 15 . 1 1 57 57 PHE CB C 57 39.088 39.088 39.039 0.049 25515 8074 1 15 . 1 1 57 57 PHE H H 57 8.861 8.861 8.778 0.083 25515 8075 1 15 . 1 1 58 58 LYS N N 58 119.306 119.306 119.844 -0.538 25515 8076 1 15 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.888 0.065 25515 8077 1 15 . 1 1 58 58 LYS C C 58 172.875 172.875 178.555 -5.680 25515 8078 1 15 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.182 -0.321 25515 8079 1 15 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.379 -0.070 25515 8080 1 15 . 1 1 58 58 LYS H H 58 7.846 7.846 8.699 -0.853 25515 8081 1 15 . 1 1 59 59 GLU N N 59 119.732 119.732 118.129 1.603 25515 8082 1 15 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.098 -0.049 25515 8083 1 15 . 1 1 59 59 GLU C C 59 171.935 171.935 179.120 -7.185 25515 8084 1 15 . 1 1 59 59 GLU CA C 59 59.473 59.473 58.965 0.508 25515 8085 1 15 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.175 0.652 25515 8086 1 15 . 1 1 59 59 GLU H H 59 7.732 7.732 7.985 -0.253 25515 8087 1 15 . 1 1 60 60 ILE N N 60 119.074 119.074 121.644 -2.570 25515 8088 1 15 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.602 0.086 25515 8089 1 15 . 1 1 60 60 ILE C C 60 174.424 174.424 178.077 -3.653 25515 8090 1 15 . 1 1 60 60 ILE CA C 60 65.274 65.274 65.823 -0.549 25515 8091 1 15 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.573 0.874 25515 8092 1 15 . 1 1 60 60 ILE H H 60 8.429 8.429 8.240 0.189 25515 8093 1 15 . 1 1 61 61 ASN N N 61 120.038 120.038 117.431 2.607 25515 8094 1 15 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.278 0.023 25515 8095 1 15 . 1 1 61 61 ASN C C 61 174.271 174.271 177.554 -3.283 25515 8096 1 15 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.925 0.631 25515 8097 1 15 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.334 -0.050 25515 8098 1 15 . 1 1 61 61 ASN H H 61 8.025 8.025 8.438 -0.413 25515 8099 1 15 . 1 1 62 62 ASN N N 62 119.502 119.502 118.773 0.729 25515 8100 1 15 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.430 -0.120 25515 8101 1 15 . 1 1 62 62 ASN C C 62 176.042 176.042 176.921 -0.879 25515 8102 1 15 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.592 -0.044 25515 8103 1 15 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.623 0.098 25515 8104 1 15 . 1 1 62 62 ASN H H 62 8.042 8.042 8.202 -0.160 25515 8105 1 15 . 1 1 63 63 ALA N N 63 119.769 119.769 122.469 -2.700 25515 8106 1 15 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.852 -0.166 25515 8107 1 15 . 1 1 63 63 ALA C C 63 173.564 173.564 179.161 -5.597 25515 8108 1 15 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.806 0.734 25515 8109 1 15 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.852 0.654 25515 8110 1 15 . 1 1 63 63 ALA H H 63 7.944 7.944 8.395 -0.451 25515 8111 1 15 . 1 1 64 64 HIS N N 64 115.292 115.292 118.253 -2.961 25515 8112 1 15 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.151 -0.624 25515 8113 1 15 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.190 1.194 25515 8114 1 15 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.642 0.293 25515 8115 1 15 . 1 1 64 64 HIS H H 64 8.055 8.055 8.354 -0.299 25515 8116 1 15 . 1 1 65 65 ALA N N 65 122.093 122.093 120.970 1.123 25515 8117 1 15 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.006 -0.500 25515 8118 1 15 . 1 1 65 65 ALA C C 65 172.454 172.454 179.181 -6.727 25515 8119 1 15 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.533 1.458 25515 8120 1 15 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.961 -1.823 25515 8121 1 15 . 1 1 65 65 ALA H H 65 7.944 7.944 7.532 0.412 25515 8122 1 15 . 1 1 66 66 ILE N N 66 115.954 115.954 118.614 -2.660 25515 8123 1 15 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.629 -0.171 25515 8124 1 15 . 1 1 66 66 ILE C C 66 175.394 175.394 178.485 -3.091 25515 8125 1 15 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.781 -0.173 25515 8126 1 15 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.315 1.674 25515 8127 1 15 . 1 1 66 66 ILE H H 66 7.358 7.358 7.963 -0.605 25515 8128 1 15 . 1 1 67 67 LEU N N 67 111.268 111.268 115.720 -4.452 25515 8129 1 15 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.013 -0.338 25515 8130 1 15 . 1 1 67 67 LEU C C 67 174.490 174.490 177.845 -3.355 25515 8131 1 15 . 1 1 67 67 LEU CA C 67 56.567 56.567 55.664 0.903 25515 8132 1 15 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.823 2.231 25515 8133 1 15 . 1 1 67 67 LEU H H 67 7.743 7.743 7.591 0.152 25515 8134 1 15 . 1 1 68 68 THR N N 68 103.399 103.399 110.601 -7.202 25515 8135 1 15 . 1 1 68 68 THR HA H 68 4.023 4.023 4.228 -0.205 25515 8136 1 15 . 1 1 68 68 THR C C 68 178.796 178.796 173.949 4.847 25515 8137 1 15 . 1 1 68 68 THR CA C 68 61.672 61.672 61.995 -0.323 25515 8138 1 15 . 1 1 68 68 THR CB C 68 69.052 69.052 69.054 -0.002 25515 8139 1 15 . 1 1 68 68 THR H H 68 7.104 7.104 7.359 -0.255 25515 8140 1 15 . 1 1 69 69 ASP N N 69 125.057 125.057 121.507 3.550 25515 8141 1 15 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.666 0.035 25515 8142 1 15 . 1 1 69 69 ASP C C 69 177.204 177.204 176.315 0.889 25515 8143 1 15 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.832 -0.073 25515 8144 1 15 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.477 -0.726 25515 8145 1 15 . 1 1 69 69 ASP H H 69 7.076 7.076 7.502 -0.426 25515 8146 1 15 . 1 1 70 70 ALA N N 70 128.178 128.178 129.101 -0.923 25515 8147 1 15 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.059 -0.162 25515 8148 1 15 . 1 1 70 70 ALA C C 70 171.909 171.909 179.036 -7.127 25515 8149 1 15 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.090 0.736 25515 8150 1 15 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.790 -0.316 25515 8151 1 15 . 1 1 70 70 ALA H H 70 8.761 8.761 8.720 0.041 25515 8152 1 15 . 1 1 71 71 THR N N 71 113.629 113.629 115.552 -1.923 25515 8153 1 15 . 1 1 71 71 THR HA H 71 3.981 3.981 4.067 -0.086 25515 8154 1 15 . 1 1 71 71 THR C C 71 175.038 175.038 176.733 -1.695 25515 8155 1 15 . 1 1 71 71 THR CA C 71 66.164 66.164 66.242 -0.078 25515 8156 1 15 . 1 1 71 71 THR CB C 71 68.319 68.319 68.973 -0.654 25515 8157 1 15 . 1 1 71 71 THR H H 71 7.957 7.957 8.009 -0.052 25515 8158 1 15 . 1 1 72 72 LYS N N 72 122.501 122.501 120.641 1.860 25515 8159 1 15 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.133 -0.323 25515 8160 1 15 . 1 1 72 72 LYS C C 72 173.814 173.814 178.992 -5.178 25515 8161 1 15 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.328 0.963 25515 8162 1 15 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.099 0.707 25515 8163 1 15 . 1 1 72 72 LYS H H 72 8.309 8.309 9.163 -0.854 25515 8164 1 15 . 1 1 73 73 ARG N N 73 120.595 120.595 118.986 1.609 25515 8165 1 15 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.131 -0.528 25515 8166 1 15 . 1 1 73 73 ARG C C 73 174.477 174.477 177.858 -3.381 25515 8167 1 15 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.803 2.026 25515 8168 1 15 . 1 1 73 73 ARG H H 73 9.258 9.258 7.756 1.502 25515 8169 1 15 . 1 1 74 74 ASN N N 74 115.425 115.425 119.236 -3.811 25515 8170 1 15 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.471 -0.040 25515 8171 1 15 . 1 1 74 74 ASN C C 74 174.296 174.296 177.948 -3.652 25515 8172 1 15 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.640 0.070 25515 8173 1 15 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.368 0.362 25515 8174 1 15 . 1 1 74 74 ASN H H 74 7.534 7.534 7.828 -0.294 25515 8175 1 15 . 1 1 75 75 ILE N N 75 119.020 119.020 118.361 0.659 25515 8176 1 15 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.813 -0.180 25515 8177 1 15 . 1 1 75 75 ILE C C 75 174.667 174.667 177.316 -2.649 25515 8178 1 15 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.810 1.695 25515 8179 1 15 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.435 1.790 25515 8180 1 15 . 1 1 75 75 ILE H H 75 7.656 7.656 8.331 -0.675 25515 8181 1 15 . 1 1 76 76 TYR N N 76 121.913 121.913 122.643 -0.730 25515 8182 1 15 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.045 -0.030 25515 8183 1 15 . 1 1 76 76 TYR C C 76 173.323 173.323 176.896 -3.573 25515 8184 1 15 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.955 -0.408 25515 8185 1 15 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.297 0.455 25515 8186 1 15 . 1 1 76 76 TYR H H 76 8.894 8.894 7.788 1.106 25515 8187 1 15 . 1 1 77 77 ASP N N 77 120.151 120.151 117.348 2.803 25515 8188 1 15 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.322 0.015 25515 8189 1 15 . 1 1 77 77 ASP C C 77 174.321 174.321 177.711 -3.390 25515 8190 1 15 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.625 1.294 25515 8191 1 15 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.200 -1.216 25515 8192 1 15 . 1 1 77 77 ASP H H 77 9.151 9.151 7.792 1.359 25515 8193 1 15 . 1 1 78 78 LYS N N 78 117.659 117.659 118.367 -0.708 25515 8194 1 15 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.000 -0.074 25515 8195 1 15 . 1 1 78 78 LYS C C 78 174.237 174.237 177.232 -2.995 25515 8196 1 15 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.564 -0.151 25515 8197 1 15 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.953 0.689 25515 8198 1 15 . 1 1 78 78 LYS H H 78 7.378 7.378 7.670 -0.292 25515 8199 1 15 . 1 1 79 79 TYR N N 79 115.151 115.151 114.666 0.485 25515 8200 1 15 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.757 -0.136 25515 8201 1 15 . 1 1 79 79 TYR C C 79 175.424 175.424 177.742 -2.318 25515 8202 1 15 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.789 -2.216 25515 8203 1 15 . 1 1 79 79 TYR H H 79 8.505 8.505 8.122 0.383 25515 8204 1 15 . 1 1 80 80 GLY N N 80 110.813 110.813 107.513 3.300 25515 8205 1 15 . 1 1 80 80 GLY C C 80 177.481 177.481 175.978 1.503 25515 8206 1 15 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.474 -0.929 25515 8207 1 15 . 1 1 80 80 GLY H H 80 8.222 8.222 8.551 -0.329 25515 8208 1 15 . 1 1 81 81 SER N N 81 117.578 117.578 116.837 0.741 25515 8209 1 15 . 1 1 81 81 SER C C 81 174.532 174.532 176.302 -1.770 25515 8210 1 15 . 1 1 81 81 SER CA C 81 61.579 61.579 60.696 0.883 25515 8211 1 15 . 1 1 81 81 SER H H 81 8.883 8.883 8.038 0.845 25515 8212 1 15 . 1 1 82 82 LEU N N 82 123.998 123.998 120.990 3.008 25515 8213 1 15 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.508 -0.237 25515 8214 1 15 . 1 1 82 82 LEU C C 82 173.400 173.400 178.528 -5.128 25515 8215 1 15 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.094 0.838 25515 8216 1 15 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.826 -0.439 25515 8217 1 15 . 1 1 82 82 LEU H H 82 8.920 8.920 8.119 0.801 25515 8218 1 15 . 1 1 83 83 GLY N N 83 105.677 105.677 107.337 -1.660 25515 8219 1 15 . 1 1 83 83 GLY C C 83 177.230 177.230 176.171 1.059 25515 8220 1 15 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.623 0.025 25515 8221 1 15 . 1 1 83 83 GLY H H 83 7.565 7.565 8.772 -1.207 25515 8222 1 15 . 1 1 84 84 LEU N N 84 119.542 119.542 122.351 -2.809 25515 8223 1 15 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.245 -0.186 25515 8224 1 15 . 1 1 84 84 LEU C C 84 173.036 173.036 178.194 -5.158 25515 8225 1 15 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.970 0.463 25515 8226 1 15 . 1 1 84 84 LEU H H 84 7.495 7.495 7.725 -0.230 25515 8227 1 15 . 1 1 85 85 TYR N N 85 121.424 121.424 118.851 2.573 25515 8228 1 15 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.281 -0.023 25515 8229 1 15 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.657 0.313 25515 8230 1 15 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.507 -0.199 25515 8231 1 15 . 1 1 85 85 TYR H H 85 7.894 7.894 7.790 0.104 25515 8232 1 15 . 1 1 86 86 VAL N N 86 120.088 120.088 120.002 0.086 25515 8233 1 15 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.239 0.037 25515 8234 1 15 . 1 1 86 86 VAL C C 86 174.300 174.300 176.932 -2.632 25515 8235 1 15 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.373 1.936 25515 8236 1 15 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.835 -0.161 25515 8237 1 15 . 1 1 86 86 VAL H H 86 8.402 8.402 8.057 0.345 25515 8238 1 15 . 1 1 87 87 ALA N N 87 121.800 121.800 122.027 -0.227 25515 8239 1 15 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.122 -0.385 25515 8240 1 15 . 1 1 87 87 ALA C C 87 172.312 172.312 179.670 -7.358 25515 8241 1 15 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.928 -1.485 25515 8242 1 15 . 1 1 87 87 ALA CB C 87 18.401 18.401 17.920 0.481 25515 8243 1 15 . 1 1 87 87 ALA H H 87 8.317 8.317 7.868 0.449 25515 8244 1 15 . 1 1 88 88 GLU N N 88 118.012 118.012 117.483 0.529 25515 8245 1 15 . 1 1 88 88 GLU HA H 88 3.875 3.875 3.972 -0.097 25515 8246 1 15 . 1 1 88 88 GLU C C 88 174.071 174.071 178.707 -4.636 25515 8247 1 15 . 1 1 88 88 GLU CA C 88 58.766 58.766 59.258 -0.492 25515 8248 1 15 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.074 0.475 25515 8249 1 15 . 1 1 88 88 GLU H H 88 7.777 7.777 8.587 -0.810 25515 8250 1 15 . 1 1 89 89 GLN N N 89 116.164 116.164 116.040 0.124 25515 8251 1 15 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.185 -0.474 25515 8252 1 15 . 1 1 89 89 GLN C C 89 174.572 174.572 177.095 -2.523 25515 8253 1 15 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.546 -0.501 25515 8254 1 15 . 1 1 89 89 GLN CB C 89 28.664 28.664 28.592 0.072 25515 8255 1 15 . 1 1 89 89 GLN H H 89 7.704 7.704 7.918 -0.214 25515 8256 1 15 . 1 1 90 90 PHE N N 90 114.734 114.734 119.110 -4.376 25515 8257 1 15 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.628 0.082 25515 8258 1 15 . 1 1 90 90 PHE C C 90 175.715 175.715 176.477 -0.762 25515 8259 1 15 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.209 -1.804 25515 8260 1 15 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.109 0.094 25515 8261 1 15 . 1 1 90 90 PHE H H 90 8.241 8.241 8.496 -0.255 25515 8262 1 15 . 1 1 91 91 GLY N N 91 111.234 111.234 105.992 5.242 25515 8263 1 15 . 1 1 91 91 GLY C C 91 176.788 176.788 174.519 2.269 25515 8264 1 15 . 1 1 91 91 GLY CA C 91 45.170 45.170 45.040 0.130 25515 8265 1 15 . 1 1 91 91 GLY H H 91 7.668 7.668 8.242 -0.574 25515 8266 1 15 . 1 1 92 92 GLU N N 92 123.392 123.392 117.588 5.804 25515 8267 1 15 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.756 0.086 25515 8268 1 15 . 1 1 92 92 GLU C C 92 174.798 174.798 176.660 -1.862 25515 8269 1 15 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.637 -0.379 25515 8270 1 15 . 1 1 92 92 GLU CB C 92 29.618 29.618 27.940 1.678 25515 8271 1 15 . 1 1 92 92 GLU H H 92 8.793 8.793 8.287 0.506 25515 8272 1 15 . 1 1 93 93 GLU N N 93 118.621 118.621 118.002 0.619 25515 8273 1 15 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.142 0.043 25515 8274 1 15 . 1 1 93 93 GLU C C 93 175.143 175.143 178.348 -3.205 25515 8275 1 15 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.369 -0.484 25515 8276 1 15 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.714 -0.647 25515 8277 1 15 . 1 1 93 93 GLU H H 93 9.356 9.356 8.467 0.889 25515 8278 1 15 . 1 1 94 94 ASN N N 94 116.563 116.563 120.072 -3.509 25515 8279 1 15 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.576 0.335 25515 8280 1 15 . 1 1 94 94 ASN C C 94 176.192 176.192 177.552 -1.360 25515 8281 1 15 . 1 1 94 94 ASN CA C 94 53.311 53.311 56.113 -2.802 25515 8282 1 15 . 1 1 94 94 ASN CB C 94 39.744 39.744 38.450 1.294 25515 8283 1 15 . 1 1 94 94 ASN H H 94 7.881 7.881 7.862 0.019 25515 8284 1 15 . 1 1 95 95 VAL N N 95 119.858 119.858 118.154 1.704 25515 8285 1 15 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.784 -0.044 25515 8286 1 15 . 1 1 95 95 VAL C C 95 175.715 175.715 177.352 -1.637 25515 8287 1 15 . 1 1 95 95 VAL CA C 95 65.498 65.498 65.573 -0.075 25515 8288 1 15 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.280 0.686 25515 8289 1 15 . 1 1 95 95 VAL H H 95 7.405 7.405 8.093 -0.688 25515 8290 1 15 . 1 1 96 96 ASN N N 96 116.409 116.409 118.073 -1.664 25515 8291 1 15 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.571 -0.113 25515 8292 1 15 . 1 1 96 96 ASN C C 96 175.322 175.322 176.790 -1.468 25515 8293 1 15 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.811 -0.093 25515 8294 1 15 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.404 -0.188 25515 8295 1 15 . 1 1 96 96 ASN H H 96 8.356 8.356 7.879 0.477 25515 8296 1 15 . 1 1 97 97 THR N N 97 111.266 111.266 113.863 -2.597 25515 8297 1 15 . 1 1 97 97 THR HA H 97 3.993 3.993 4.020 -0.027 25515 8298 1 15 . 1 1 97 97 THR C C 97 177.418 177.418 175.637 1.781 25515 8299 1 15 . 1 1 97 97 THR CA C 97 63.604 63.604 65.285 -1.681 25515 8300 1 15 . 1 1 97 97 THR CB C 97 69.162 69.162 68.815 0.347 25515 8301 1 15 . 1 1 97 97 THR H H 97 7.575 7.575 8.175 -0.600 25515 8302 1 15 . 1 1 98 98 TYR N N 98 119.963 119.963 117.680 2.283 25515 8303 1 15 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.367 -0.045 25515 8304 1 15 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.972 -0.774 25515 8305 1 15 . 1 1 98 98 TYR CB C 98 39.244 39.244 38.963 0.281 25515 8306 1 15 . 1 1 98 98 TYR H H 98 7.480 7.480 7.805 -0.325 25515 8307 1 15 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.537 0.023 25515 8308 1 15 . 1 1 99 99 PHE C C 99 177.317 177.317 175.874 1.443 25515 8309 1 15 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.096 -0.103 25515 8310 1 15 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.438 0.203 25515 8311 1 16 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.610 -0.319 25515 8312 1 16 . 1 1 2 2 ALA C C 2 175.019 175.019 176.316 -1.297 25515 8313 1 16 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.381 1.190 25515 8314 1 16 . 1 1 2 2 ALA CB C 2 19.119 19.119 20.009 -0.890 25515 8315 1 16 . 1 1 3 3 ASP N N 3 120.192 120.192 121.853 -1.661 25515 8316 1 16 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.655 -0.170 25515 8317 1 16 . 1 1 3 3 ASP C C 3 175.549 175.549 175.298 0.251 25515 8318 1 16 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.261 -0.009 25515 8319 1 16 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.742 -0.510 25515 8320 1 16 . 1 1 3 3 ASP H H 3 8.336 8.336 8.523 -0.187 25515 8321 1 16 . 1 1 4 4 GLN N N 4 121.286 121.286 120.370 0.916 25515 8322 1 16 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.541 -0.339 25515 8323 1 16 . 1 1 4 4 GLN C C 4 175.579 175.579 175.776 -0.197 25515 8324 1 16 . 1 1 4 4 GLN CA C 4 56.326 56.326 54.799 1.527 25515 8325 1 16 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.833 -1.716 25515 8326 1 16 . 1 1 4 4 GLN H H 4 8.404 8.404 7.980 0.424 25515 8327 1 16 . 1 1 5 5 ARG N N 5 121.138 121.138 119.266 1.872 25515 8328 1 16 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.055 0.109 25515 8329 1 16 . 1 1 5 5 ARG C C 5 175.327 175.327 176.425 -1.098 25515 8330 1 16 . 1 1 5 5 ARG CA C 5 56.776 56.776 58.304 -1.528 25515 8331 1 16 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.164 0.347 25515 8332 1 16 . 1 1 5 5 ARG H H 5 8.281 8.281 8.748 -0.467 25515 8333 1 16 . 1 1 6 6 GLN N N 6 120.348 120.348 120.364 -0.016 25515 8334 1 16 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.578 -0.389 25515 8335 1 16 . 1 1 6 6 GLN C C 6 175.838 175.838 175.472 0.366 25515 8336 1 16 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.688 1.520 25515 8337 1 16 . 1 1 6 6 GLN CB C 6 29.131 29.131 29.187 -0.056 25515 8338 1 16 . 1 1 6 6 GLN H H 6 8.253 8.253 8.428 -0.175 25515 8339 1 16 . 1 1 7 7 ARG N N 7 121.761 121.761 123.600 -1.839 25515 8340 1 16 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.357 -0.116 25515 8341 1 16 . 1 1 7 7 ARG C C 7 175.708 175.708 178.028 -2.320 25515 8342 1 16 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.054 -1.718 25515 8343 1 16 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.894 0.877 25515 8344 1 16 . 1 1 7 7 ARG H H 7 8.211 8.211 8.557 -0.346 25515 8345 1 16 . 1 1 8 8 SER N N 8 116.450 116.450 115.892 0.558 25515 8346 1 16 . 1 1 8 8 SER HA H 8 4.384 4.384 4.345 0.039 25515 8347 1 16 . 1 1 8 8 SER C C 8 177.569 177.569 175.844 1.725 25515 8348 1 16 . 1 1 8 8 SER CA C 8 58.298 58.298 61.040 -2.742 25515 8349 1 16 . 1 1 8 8 SER CB C 8 63.786 63.786 62.856 0.930 25515 8350 1 16 . 1 1 8 8 SER H H 8 8.220 8.220 8.693 -0.473 25515 8351 1 16 . 1 1 9 9 LEU N N 9 123.709 123.709 116.003 7.706 25515 8352 1 16 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.503 -0.149 25515 8353 1 16 . 1 1 9 9 LEU C C 9 174.915 174.915 177.452 -2.537 25515 8354 1 16 . 1 1 9 9 LEU CA C 9 54.976 54.976 55.982 -1.006 25515 8355 1 16 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.078 1.600 25515 8356 1 16 . 1 1 9 9 LEU H H 9 8.091 8.091 7.856 0.235 25515 8357 1 16 . 1 1 10 10 SER N N 10 115.478 115.478 115.318 0.160 25515 8358 1 16 . 1 1 10 10 SER HA H 10 4.561 4.561 4.579 -0.018 25515 8359 1 16 . 1 1 10 10 SER C C 10 177.096 177.096 174.179 2.917 25515 8360 1 16 . 1 1 10 10 SER CA C 10 58.016 58.016 59.613 -1.597 25515 8361 1 16 . 1 1 10 10 SER CB C 10 64.062 64.062 63.853 0.209 25515 8362 1 16 . 1 1 10 10 SER H H 10 8.187 8.187 8.161 0.026 25515 8363 1 16 . 1 1 11 11 THR N N 11 114.393 114.393 114.047 0.346 25515 8364 1 16 . 1 1 11 11 THR HA H 11 4.516 4.516 4.560 -0.044 25515 8365 1 16 . 1 1 11 11 THR C C 11 177.232 177.232 174.851 2.381 25515 8366 1 16 . 1 1 11 11 THR CA C 11 61.740 61.740 60.549 1.191 25515 8367 1 16 . 1 1 11 11 THR CB C 11 69.478 69.478 69.840 -0.362 25515 8368 1 16 . 1 1 11 11 THR H H 11 8.180 8.180 7.249 0.931 25515 8369 1 16 . 1 1 12 12 SER N N 12 117.125 117.125 120.633 -3.508 25515 8370 1 16 . 1 1 12 12 SER HA H 12 4.391 4.391 4.449 -0.058 25515 8371 1 16 . 1 1 12 12 SER C C 12 176.856 176.856 175.603 1.253 25515 8372 1 16 . 1 1 12 12 SER CA C 12 58.537 58.537 58.197 0.340 25515 8373 1 16 . 1 1 12 12 SER CB C 12 63.915 63.915 63.623 0.292 25515 8374 1 16 . 1 1 12 12 SER H H 12 8.171 8.171 8.770 -0.599 25515 8375 1 16 . 1 1 13 13 GLY N N 13 111.544 111.544 108.857 2.687 25515 8376 1 16 . 1 1 13 13 GLY C C 13 178.243 178.243 174.171 4.072 25515 8377 1 16 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.627 0.854 25515 8378 1 16 . 1 1 13 13 GLY H H 13 8.381 8.381 8.118 0.263 25515 8379 1 16 . 1 1 14 14 GLU N N 14 119.223 119.223 121.005 -1.782 25515 8380 1 16 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.692 -0.252 25515 8381 1 16 . 1 1 14 14 GLU C C 14 174.876 174.876 175.496 -0.620 25515 8382 1 16 . 1 1 14 14 GLU CA C 14 56.424 56.424 56.002 0.422 25515 8383 1 16 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.234 -0.256 25515 8384 1 16 . 1 1 14 14 GLU H H 14 8.149 8.149 7.810 0.339 25515 8385 1 16 . 1 1 15 15 SER N N 15 117.752 117.752 117.249 0.503 25515 8386 1 16 . 1 1 15 15 SER H H 15 8.437 8.437 8.539 -0.102 25515 8387 1 16 . 1 1 16 16 LEU N N 16 121.072 121.072 122.617 -1.545 25515 8388 1 16 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.097 -0.236 25515 8389 1 16 . 1 1 16 16 LEU C C 16 174.423 174.423 179.019 -4.596 25515 8390 1 16 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.881 -0.456 25515 8391 1 16 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.262 0.414 25515 8392 1 16 . 1 1 16 16 LEU H H 16 8.233 8.233 8.459 -0.226 25515 8393 1 16 . 1 1 17 17 TYR N N 17 111.961 111.961 115.843 -3.882 25515 8394 1 16 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.070 -0.408 25515 8395 1 16 . 1 1 17 17 TYR C C 17 173.256 173.256 177.845 -4.589 25515 8396 1 16 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.377 -0.511 25515 8397 1 16 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.596 -0.189 25515 8398 1 16 . 1 1 17 17 TYR H H 17 6.929 6.929 7.966 -1.037 25515 8399 1 16 . 1 1 18 18 HIS N N 18 119.254 119.254 116.436 2.818 25515 8400 1 16 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.290 0.149 25515 8401 1 16 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.312 -0.398 25515 8402 1 16 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.145 -0.530 25515 8403 1 16 . 1 1 18 18 HIS H H 18 7.672 7.672 8.326 -0.654 25515 8404 1 16 . 1 1 19 19 VAL N N 19 120.746 120.746 117.686 3.060 25515 8405 1 16 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.840 -0.135 25515 8406 1 16 . 1 1 19 19 VAL C C 19 175.643 175.643 177.189 -1.546 25515 8407 1 16 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.154 0.379 25515 8408 1 16 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.512 -0.047 25515 8409 1 16 . 1 1 19 19 VAL H H 19 7.883 7.883 7.406 0.477 25515 8410 1 16 . 1 1 20 20 LEU N N 20 114.576 114.576 118.358 -3.782 25515 8411 1 16 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.448 -0.087 25515 8412 1 16 . 1 1 20 20 LEU C C 20 175.746 175.746 177.315 -1.569 25515 8413 1 16 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.915 -1.634 25515 8414 1 16 . 1 1 20 20 LEU CB C 20 42.900 42.900 41.845 1.055 25515 8415 1 16 . 1 1 20 20 LEU H H 20 6.626 6.626 7.230 -0.604 25515 8416 1 16 . 1 1 21 21 GLY N N 21 109.239 109.239 107.637 1.602 25515 8417 1 16 . 1 1 21 21 GLY C C 21 177.637 177.637 174.579 3.058 25515 8418 1 16 . 1 1 21 21 GLY CA C 21 46.283 46.283 46.288 -0.005 25515 8419 1 16 . 1 1 21 21 GLY H H 21 7.991 7.991 7.762 0.229 25515 8420 1 16 . 1 1 22 22 LEU N N 22 119.495 119.495 116.734 2.761 25515 8421 1 16 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.948 -0.181 25515 8422 1 16 . 1 1 22 22 LEU C C 22 177.306 177.306 175.818 1.488 25515 8423 1 16 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.185 -0.303 25515 8424 1 16 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.779 2.128 25515 8425 1 16 . 1 1 22 22 LEU H H 22 7.765 7.765 7.563 0.202 25515 8426 1 16 . 1 1 23 23 ASP N N 23 118.518 118.518 118.759 -0.241 25515 8427 1 16 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.785 -0.196 25515 8428 1 16 . 1 1 23 23 ASP C C 23 176.597 176.597 177.497 -0.900 25515 8429 1 16 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.242 -1.211 25515 8430 1 16 . 1 1 23 23 ASP CB C 23 43.481 43.481 41.884 1.597 25515 8431 1 16 . 1 1 23 23 ASP H H 23 7.977 7.977 8.360 -0.383 25515 8432 1 16 . 1 1 24 24 LYS N N 24 115.499 115.499 118.867 -3.368 25515 8433 1 16 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.103 -0.951 25515 8434 1 16 . 1 1 24 24 LYS C C 24 176.231 176.231 176.013 0.218 25515 8435 1 16 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.059 0.009 25515 8436 1 16 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.566 0.796 25515 8437 1 16 . 1 1 24 24 LYS H H 24 7.811 7.811 8.412 -0.601 25515 8438 1 16 . 1 1 25 25 ASN N N 25 115.622 115.622 114.747 0.875 25515 8439 1 16 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.819 -0.294 25515 8440 1 16 . 1 1 25 25 ASN C C 25 176.698 176.698 174.607 2.091 25515 8441 1 16 . 1 1 25 25 ASN CA C 25 52.873 52.873 53.023 -0.150 25515 8442 1 16 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.150 -1.075 25515 8443 1 16 . 1 1 25 25 ASN H H 25 7.817 7.817 7.991 -0.174 25515 8444 1 16 . 1 1 26 26 ALA N N 26 122.970 122.970 124.235 -1.265 25515 8445 1 16 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.390 -0.031 25515 8446 1 16 . 1 1 26 26 ALA C C 26 173.847 173.847 176.980 -3.133 25515 8447 1 16 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.844 0.073 25515 8448 1 16 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.592 1.375 25515 8449 1 16 . 1 1 26 26 ALA H H 26 7.646 7.646 7.436 0.210 25515 8450 1 16 . 1 1 27 27 THR N N 27 113.252 113.252 114.402 -1.150 25515 8451 1 16 . 1 1 27 27 THR HA H 27 4.657 4.657 4.332 0.325 25515 8452 1 16 . 1 1 27 27 THR C C 27 175.986 175.986 176.186 -0.200 25515 8453 1 16 . 1 1 27 27 THR CA C 27 60.427 60.427 60.520 -0.093 25515 8454 1 16 . 1 1 27 27 THR CB C 27 71.702 71.702 71.006 0.696 25515 8455 1 16 . 1 1 27 27 THR H H 27 9.089 9.089 8.181 0.908 25515 8456 1 16 . 1 1 28 28 SER N N 28 115.961 115.961 118.945 -2.984 25515 8457 1 16 . 1 1 28 28 SER HA H 28 3.930 3.930 4.006 -0.076 25515 8458 1 16 . 1 1 28 28 SER C C 28 175.440 175.440 175.966 -0.526 25515 8459 1 16 . 1 1 28 28 SER CA C 28 62.515 62.515 62.869 -0.354 25515 8460 1 16 . 1 1 28 28 SER CB C 28 62.713 62.713 63.246 -0.533 25515 8461 1 16 . 1 1 28 28 SER H H 28 9.095 9.095 8.779 0.316 25515 8462 1 16 . 1 1 29 29 ASP N N 29 119.797 119.797 120.902 -1.105 25515 8463 1 16 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.408 -0.005 25515 8464 1 16 . 1 1 29 29 ASP C C 29 173.862 173.862 177.916 -4.054 25515 8465 1 16 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.211 0.572 25515 8466 1 16 . 1 1 29 29 ASP CB C 29 41.051 41.051 41.022 0.029 25515 8467 1 16 . 1 1 29 29 ASP H H 29 8.122 8.122 8.218 -0.096 25515 8468 1 16 . 1 1 30 30 ASP N N 30 120.847 120.847 119.415 1.432 25515 8469 1 16 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.589 -0.242 25515 8470 1 16 . 1 1 30 30 ASP C C 30 172.627 172.627 178.820 -6.193 25515 8471 1 16 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.089 0.600 25515 8472 1 16 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.073 -0.091 25515 8473 1 16 . 1 1 30 30 ASP H H 30 7.851 7.851 7.784 0.067 25515 8474 1 16 . 1 1 31 31 ILE N N 31 121.776 121.776 120.823 0.953 25515 8475 1 16 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.637 -0.121 25515 8476 1 16 . 1 1 31 31 ILE C C 31 174.709 174.709 178.178 -3.469 25515 8477 1 16 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.386 0.100 25515 8478 1 16 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.934 0.308 25515 8479 1 16 . 1 1 31 31 ILE H H 31 8.122 8.122 8.011 0.111 25515 8480 1 16 . 1 1 32 32 LYS N N 32 119.510 119.510 120.355 -0.845 25515 8481 1 16 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.483 -0.406 25515 8482 1 16 . 1 1 32 32 LYS C C 32 172.959 172.959 179.342 -6.383 25515 8483 1 16 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.625 1.210 25515 8484 1 16 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.591 -0.087 25515 8485 1 16 . 1 1 32 32 LYS H H 32 8.172 8.172 8.112 0.060 25515 8486 1 16 . 1 1 33 33 LYS N N 33 119.042 119.042 120.012 -0.970 25515 8487 1 16 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.087 -0.119 25515 8488 1 16 . 1 1 33 33 LYS C C 33 172.323 172.323 178.927 -6.604 25515 8489 1 16 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.742 0.265 25515 8490 1 16 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.322 0.391 25515 8491 1 16 . 1 1 33 33 LYS H H 33 8.342 8.342 8.250 0.092 25515 8492 1 16 . 1 1 34 34 SER N N 34 115.060 115.060 114.827 0.233 25515 8493 1 16 . 1 1 34 34 SER HA H 34 4.260 4.260 4.220 0.040 25515 8494 1 16 . 1 1 34 34 SER C C 34 175.503 175.503 176.540 -1.037 25515 8495 1 16 . 1 1 34 34 SER CA C 34 61.734 61.734 61.416 0.318 25515 8496 1 16 . 1 1 34 34 SER CB C 34 63.088 63.088 63.242 -0.154 25515 8497 1 16 . 1 1 34 34 SER H H 34 8.161 8.161 8.436 -0.275 25515 8498 1 16 . 1 1 35 35 TYR N N 35 119.241 119.241 123.183 -3.942 25515 8499 1 16 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.198 -0.324 25515 8500 1 16 . 1 1 35 35 TYR C C 35 176.352 176.352 177.390 -1.038 25515 8501 1 16 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.608 0.261 25515 8502 1 16 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.257 0.533 25515 8503 1 16 . 1 1 35 35 TYR H H 35 8.499 8.499 7.839 0.660 25515 8504 1 16 . 1 1 36 36 ARG N N 36 116.674 116.674 117.915 -1.241 25515 8505 1 16 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.473 -0.020 25515 8506 1 16 . 1 1 36 36 ARG C C 36 173.135 173.135 178.626 -5.491 25515 8507 1 16 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.569 1.041 25515 8508 1 16 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.352 0.527 25515 8509 1 16 . 1 1 36 36 ARG H H 36 7.967 7.967 7.860 0.107 25515 8510 1 16 . 1 1 37 37 LYS N N 37 116.974 116.974 119.245 -2.271 25515 8511 1 16 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.994 -0.024 25515 8512 1 16 . 1 1 37 37 LYS C C 37 172.489 172.489 179.639 -7.150 25515 8513 1 16 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.425 -0.048 25515 8514 1 16 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.219 0.538 25515 8515 1 16 . 1 1 37 37 LYS H H 37 7.275 7.275 7.997 -0.722 25515 8516 1 16 . 1 1 38 38 LEU N N 38 120.978 120.978 118.716 2.262 25515 8517 1 16 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.318 -0.295 25515 8518 1 16 . 1 1 38 38 LEU C C 38 173.557 173.557 178.376 -4.819 25515 8519 1 16 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.515 0.889 25515 8520 1 16 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.157 0.211 25515 8521 1 16 . 1 1 38 38 LEU H H 38 8.268 8.268 7.653 0.615 25515 8522 1 16 . 1 1 39 39 ALA N N 39 122.700 122.700 123.226 -0.526 25515 8523 1 16 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.939 -0.054 25515 8524 1 16 . 1 1 39 39 ALA C C 39 172.721 172.721 178.869 -6.148 25515 8525 1 16 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.356 0.084 25515 8526 1 16 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.234 -1.284 25515 8527 1 16 . 1 1 39 39 ALA H H 39 9.043 9.043 8.344 0.699 25515 8528 1 16 . 1 1 40 40 LEU N N 40 114.462 114.462 114.049 0.413 25515 8529 1 16 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.046 -0.014 25515 8530 1 16 . 1 1 40 40 LEU C C 40 173.110 173.110 179.162 -6.052 25515 8531 1 16 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.618 0.691 25515 8532 1 16 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.165 1.869 25515 8533 1 16 . 1 1 40 40 LEU H H 40 6.862 6.862 7.483 -0.621 25515 8534 1 16 . 1 1 41 41 LYS N N 41 118.126 118.126 121.669 -3.543 25515 8535 1 16 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.775 0.067 25515 8536 1 16 . 1 1 41 41 LYS C C 41 173.695 173.695 177.649 -3.954 25515 8537 1 16 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.019 -0.277 25515 8538 1 16 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.316 0.672 25515 8539 1 16 . 1 1 41 41 LYS H H 41 7.135 7.135 7.674 -0.539 25515 8540 1 16 . 1 1 42 42 TYR N N 42 113.902 113.902 114.036 -0.134 25515 8541 1 16 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.578 -0.088 25515 8542 1 16 . 1 1 42 42 TYR C C 42 178.884 178.884 174.566 4.318 25515 8543 1 16 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.563 0.450 25515 8544 1 16 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.160 0.350 25515 8545 1 16 . 1 1 42 42 TYR H H 42 7.756 7.756 7.920 -0.164 25515 8546 1 16 . 1 1 43 43 HIS N N 43 120.909 120.909 122.652 -1.743 25515 8547 1 16 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.109 -0.637 25515 8548 1 16 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.604 0.295 25515 8549 1 16 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.402 -0.277 25515 8550 1 16 . 1 1 43 43 HIS H H 43 7.134 7.134 7.738 -0.604 25515 8551 1 16 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.212 -0.214 25515 8552 1 16 . 1 1 44 44 PRO C C 44 172.774 172.774 177.723 -4.949 25515 8553 1 16 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.448 0.157 25515 8554 1 16 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.792 -0.182 25515 8555 1 16 . 1 1 45 45 ASP N N 45 121.379 121.379 116.834 4.545 25515 8556 1 16 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.549 -0.192 25515 8557 1 16 . 1 1 45 45 ASP C C 45 173.968 173.968 176.869 -2.901 25515 8558 1 16 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.606 1.165 25515 8559 1 16 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.438 -0.314 25515 8560 1 16 . 1 1 45 45 ASP H H 45 10.727 10.727 8.087 2.640 25515 8561 1 16 . 1 1 46 46 LYS N N 46 115.902 115.902 118.076 -2.174 25515 8562 1 16 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.331 0.027 25515 8563 1 16 . 1 1 46 46 LYS C C 46 176.450 176.450 175.914 0.536 25515 8564 1 16 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.026 -1.252 25515 8565 1 16 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.354 0.835 25515 8566 1 16 . 1 1 46 46 LYS H H 46 7.475 7.475 8.124 -0.649 25515 8567 1 16 . 1 1 47 47 ASN N N 47 117.709 117.709 119.152 -1.443 25515 8568 1 16 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.065 0.085 25515 8569 1 16 . 1 1 47 47 ASN C C 47 170.657 170.657 173.329 -2.672 25515 8570 1 16 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.134 0.406 25515 8571 1 16 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.625 1.931 25515 8572 1 16 . 1 1 47 47 ASN H H 47 7.410 7.410 7.489 -0.079 25515 8573 1 16 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.548 -0.182 25515 8574 1 16 . 1 1 48 48 PRO C C 48 174.739 174.739 176.300 -1.561 25515 8575 1 16 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.504 1.608 25515 8576 1 16 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.496 -0.972 25515 8577 1 16 . 1 1 49 49 ASP N N 49 117.619 117.619 117.461 0.158 25515 8578 1 16 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.455 -0.078 25515 8579 1 16 . 1 1 49 49 ASP C C 49 177.335 177.335 175.914 1.421 25515 8580 1 16 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.307 -0.722 25515 8581 1 16 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.197 -0.943 25515 8582 1 16 . 1 1 49 49 ASP H H 49 8.679 8.679 8.507 0.172 25515 8583 1 16 . 1 1 50 50 ASN N N 50 114.537 114.537 117.567 -3.030 25515 8584 1 16 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.739 0.461 25515 8585 1 16 . 1 1 50 50 ASN C C 50 178.245 178.245 174.824 3.421 25515 8586 1 16 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.324 -1.189 25515 8587 1 16 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.226 1.350 25515 8588 1 16 . 1 1 50 50 ASN H H 50 7.341 7.341 8.029 -0.688 25515 8589 1 16 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.584 -0.220 25515 8590 1 16 . 1 1 51 51 PRO C C 51 173.714 173.714 177.547 -3.833 25515 8591 1 16 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.104 1.514 25515 8592 1 16 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.048 0.053 25515 8593 1 16 . 1 1 52 52 GLU N N 52 118.597 118.597 121.541 -2.944 25515 8594 1 16 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.072 0.116 25515 8595 1 16 . 1 1 52 52 GLU C C 52 173.216 173.216 178.046 -4.830 25515 8596 1 16 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.323 -1.373 25515 8597 1 16 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.412 -0.213 25515 8598 1 16 . 1 1 52 52 GLU H H 52 8.048 8.048 8.743 -0.695 25515 8599 1 16 . 1 1 53 53 ALA N N 53 122.149 122.149 121.295 0.854 25515 8600 1 16 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.306 -0.332 25515 8601 1 16 . 1 1 53 53 ALA C C 53 173.485 173.485 179.369 -5.884 25515 8602 1 16 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.029 0.042 25515 8603 1 16 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.100 -0.323 25515 8604 1 16 . 1 1 53 53 ALA H H 53 7.606 7.606 8.389 -0.783 25515 8605 1 16 . 1 1 54 54 ALA N N 54 119.475 119.475 121.033 -1.558 25515 8606 1 16 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.134 0.093 25515 8607 1 16 . 1 1 54 54 ALA C C 54 171.125 171.125 179.157 -8.032 25515 8608 1 16 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.671 0.500 25515 8609 1 16 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.391 -0.544 25515 8610 1 16 . 1 1 54 54 ALA H H 54 7.680 7.680 8.170 -0.490 25515 8611 1 16 . 1 1 55 55 ASP N N 55 120.134 120.134 119.389 0.745 25515 8612 1 16 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.345 0.076 25515 8613 1 16 . 1 1 55 55 ASP C C 55 173.088 173.088 178.893 -5.805 25515 8614 1 16 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.785 -0.379 25515 8615 1 16 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.660 -0.331 25515 8616 1 16 . 1 1 55 55 ASP H H 55 7.983 7.983 8.395 -0.412 25515 8617 1 16 . 1 1 56 56 LYS N N 56 120.915 120.915 120.169 0.746 25515 8618 1 16 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.951 -0.041 25515 8619 1 16 . 1 1 56 56 LYS C C 56 173.210 173.210 178.693 -5.483 25515 8620 1 16 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.762 -0.281 25515 8621 1 16 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.723 -0.815 25515 8622 1 16 . 1 1 56 56 LYS H H 56 7.758 7.758 8.172 -0.414 25515 8623 1 16 . 1 1 57 57 PHE N N 57 120.024 120.024 120.299 -0.275 25515 8624 1 16 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.147 -0.142 25515 8625 1 16 . 1 1 57 57 PHE C C 57 174.430 174.430 177.327 -2.897 25515 8626 1 16 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.841 1.699 25515 8627 1 16 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.572 0.516 25515 8628 1 16 . 1 1 57 57 PHE H H 57 8.861 8.861 8.638 0.223 25515 8629 1 16 . 1 1 58 58 LYS N N 58 119.306 119.306 119.661 -0.355 25515 8630 1 16 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.714 0.239 25515 8631 1 16 . 1 1 58 58 LYS C C 58 172.875 172.875 178.683 -5.808 25515 8632 1 16 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.891 -0.030 25515 8633 1 16 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.370 -0.061 25515 8634 1 16 . 1 1 58 58 LYS H H 58 7.846 7.846 8.268 -0.422 25515 8635 1 16 . 1 1 59 59 GLU N N 59 119.732 119.732 118.706 1.026 25515 8636 1 16 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.134 -0.085 25515 8637 1 16 . 1 1 59 59 GLU C C 59 171.935 171.935 178.993 -7.058 25515 8638 1 16 . 1 1 59 59 GLU CA C 59 59.473 59.473 58.925 0.548 25515 8639 1 16 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.332 0.495 25515 8640 1 16 . 1 1 59 59 GLU H H 59 7.732 7.732 7.940 -0.208 25515 8641 1 16 . 1 1 60 60 ILE N N 60 119.074 119.074 121.836 -2.762 25515 8642 1 16 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.704 -0.016 25515 8643 1 16 . 1 1 60 60 ILE C C 60 174.424 174.424 178.235 -3.811 25515 8644 1 16 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.160 -0.886 25515 8645 1 16 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.899 0.548 25515 8646 1 16 . 1 1 60 60 ILE H H 60 8.429 8.429 8.689 -0.260 25515 8647 1 16 . 1 1 61 61 ASN N N 61 120.038 120.038 117.039 2.999 25515 8648 1 16 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.338 -0.037 25515 8649 1 16 . 1 1 61 61 ASN C C 61 174.271 174.271 177.454 -3.183 25515 8650 1 16 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.847 0.709 25515 8651 1 16 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.232 0.051 25515 8652 1 16 . 1 1 61 61 ASN H H 61 8.025 8.025 8.567 -0.542 25515 8653 1 16 . 1 1 62 62 ASN N N 62 119.502 119.502 119.170 0.332 25515 8654 1 16 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.409 -0.099 25515 8655 1 16 . 1 1 62 62 ASN C C 62 176.042 176.042 177.086 -1.044 25515 8656 1 16 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.672 -0.124 25515 8657 1 16 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.623 0.098 25515 8658 1 16 . 1 1 62 62 ASN H H 62 8.042 8.042 7.765 0.277 25515 8659 1 16 . 1 1 63 63 ALA N N 63 119.769 119.769 122.110 -2.341 25515 8660 1 16 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.819 -0.133 25515 8661 1 16 . 1 1 63 63 ALA C C 63 173.564 173.564 179.325 -5.761 25515 8662 1 16 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.819 0.721 25515 8663 1 16 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.056 0.450 25515 8664 1 16 . 1 1 63 63 ALA H H 63 7.944 7.944 8.450 -0.506 25515 8665 1 16 . 1 1 64 64 HIS N N 64 115.292 115.292 119.089 -3.797 25515 8666 1 16 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.144 -0.617 25515 8667 1 16 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.385 0.999 25515 8668 1 16 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.408 0.527 25515 8669 1 16 . 1 1 64 64 HIS H H 64 8.055 8.055 8.298 -0.243 25515 8670 1 16 . 1 1 65 65 ALA N N 65 122.093 122.093 120.437 1.656 25515 8671 1 16 . 1 1 65 65 ALA HA H 65 3.506 3.506 4.040 -0.534 25515 8672 1 16 . 1 1 65 65 ALA C C 65 172.454 172.454 178.551 -6.097 25515 8673 1 16 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.489 1.502 25515 8674 1 16 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.160 -1.022 25515 8675 1 16 . 1 1 65 65 ALA H H 65 7.944 7.944 7.587 0.357 25515 8676 1 16 . 1 1 66 66 ILE N N 66 115.954 115.954 117.638 -1.684 25515 8677 1 16 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.786 -0.328 25515 8678 1 16 . 1 1 66 66 ILE C C 66 175.394 175.394 178.364 -2.970 25515 8679 1 16 . 1 1 66 66 ILE CA C 66 63.608 63.608 62.834 0.774 25515 8680 1 16 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.929 1.060 25515 8681 1 16 . 1 1 66 66 ILE H H 66 7.358 7.358 7.540 -0.182 25515 8682 1 16 . 1 1 67 67 LEU N N 67 111.268 111.268 116.646 -5.378 25515 8683 1 16 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.986 -0.311 25515 8684 1 16 . 1 1 67 67 LEU C C 67 174.490 174.490 178.383 -3.893 25515 8685 1 16 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.274 0.293 25515 8686 1 16 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.439 1.615 25515 8687 1 16 . 1 1 67 67 LEU H H 67 7.743 7.743 7.867 -0.124 25515 8688 1 16 . 1 1 68 68 THR N N 68 103.399 103.399 109.854 -6.455 25515 8689 1 16 . 1 1 68 68 THR HA H 68 4.023 4.023 4.203 -0.180 25515 8690 1 16 . 1 1 68 68 THR C C 68 178.796 178.796 174.176 4.620 25515 8691 1 16 . 1 1 68 68 THR CA C 68 61.672 61.672 61.953 -0.281 25515 8692 1 16 . 1 1 68 68 THR CB C 68 69.052 69.052 68.866 0.186 25515 8693 1 16 . 1 1 68 68 THR H H 68 7.104 7.104 7.765 -0.661 25515 8694 1 16 . 1 1 69 69 ASP N N 69 125.057 125.057 120.874 4.183 25515 8695 1 16 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.767 -0.066 25515 8696 1 16 . 1 1 69 69 ASP C C 69 177.204 177.204 176.173 1.031 25515 8697 1 16 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.151 0.608 25515 8698 1 16 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.642 -0.891 25515 8699 1 16 . 1 1 69 69 ASP H H 69 7.076 7.076 7.471 -0.395 25515 8700 1 16 . 1 1 70 70 ALA N N 70 128.178 128.178 127.558 0.620 25515 8701 1 16 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.118 -0.221 25515 8702 1 16 . 1 1 70 70 ALA C C 70 171.909 171.909 178.910 -7.001 25515 8703 1 16 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.078 0.748 25515 8704 1 16 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.964 -0.490 25515 8705 1 16 . 1 1 70 70 ALA H H 70 8.761 8.761 8.643 0.118 25515 8706 1 16 . 1 1 71 71 THR N N 71 113.629 113.629 115.762 -2.133 25515 8707 1 16 . 1 1 71 71 THR HA H 71 3.981 3.981 4.072 -0.091 25515 8708 1 16 . 1 1 71 71 THR C C 71 175.038 175.038 176.742 -1.704 25515 8709 1 16 . 1 1 71 71 THR CA C 71 66.164 66.164 66.244 -0.080 25515 8710 1 16 . 1 1 71 71 THR CB C 71 68.319 68.319 68.944 -0.625 25515 8711 1 16 . 1 1 71 71 THR H H 71 7.957 7.957 7.882 0.075 25515 8712 1 16 . 1 1 72 72 LYS N N 72 122.501 122.501 120.277 2.224 25515 8713 1 16 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.090 -0.280 25515 8714 1 16 . 1 1 72 72 LYS C C 72 173.814 173.814 178.835 -5.021 25515 8715 1 16 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.638 0.653 25515 8716 1 16 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.185 0.620 25515 8717 1 16 . 1 1 72 72 LYS H H 72 8.309 8.309 9.280 -0.971 25515 8718 1 16 . 1 1 73 73 ARG N N 73 120.595 120.595 118.636 1.959 25515 8719 1 16 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.170 -0.567 25515 8720 1 16 . 1 1 73 73 ARG C C 73 174.477 174.477 177.877 -3.400 25515 8721 1 16 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.569 2.260 25515 8722 1 16 . 1 1 73 73 ARG H H 73 9.258 9.258 7.669 1.589 25515 8723 1 16 . 1 1 74 74 ASN N N 74 115.425 115.425 119.439 -4.014 25515 8724 1 16 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.490 -0.059 25515 8725 1 16 . 1 1 74 74 ASN C C 74 174.296 174.296 178.078 -3.782 25515 8726 1 16 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.744 -0.034 25515 8727 1 16 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.371 0.359 25515 8728 1 16 . 1 1 74 74 ASN H H 74 7.534 7.534 7.883 -0.349 25515 8729 1 16 . 1 1 75 75 ILE N N 75 119.020 119.020 118.175 0.845 25515 8730 1 16 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.886 -0.253 25515 8731 1 16 . 1 1 75 75 ILE C C 75 174.667 174.667 177.144 -2.477 25515 8732 1 16 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.913 1.592 25515 8733 1 16 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.467 1.758 25515 8734 1 16 . 1 1 75 75 ILE H H 75 7.656 7.656 8.170 -0.514 25515 8735 1 16 . 1 1 76 76 TYR N N 76 121.913 121.913 122.422 -0.509 25515 8736 1 16 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.063 -0.048 25515 8737 1 16 . 1 1 76 76 TYR C C 76 173.323 173.323 177.303 -3.980 25515 8738 1 16 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.798 -0.251 25515 8739 1 16 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.205 0.548 25515 8740 1 16 . 1 1 76 76 TYR H H 76 8.894 8.894 7.755 1.139 25515 8741 1 16 . 1 1 77 77 ASP N N 77 120.151 120.151 117.586 2.565 25515 8742 1 16 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.328 0.009 25515 8743 1 16 . 1 1 77 77 ASP C C 77 174.321 174.321 177.475 -3.154 25515 8744 1 16 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.757 1.162 25515 8745 1 16 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.171 -1.186 25515 8746 1 16 . 1 1 77 77 ASP H H 77 9.151 9.151 7.959 1.192 25515 8747 1 16 . 1 1 78 78 LYS N N 78 117.659 117.659 118.365 -0.706 25515 8748 1 16 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.082 -0.155 25515 8749 1 16 . 1 1 78 78 LYS C C 78 174.237 174.237 177.220 -2.983 25515 8750 1 16 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.047 0.366 25515 8751 1 16 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.185 0.457 25515 8752 1 16 . 1 1 78 78 LYS H H 78 7.378 7.378 7.567 -0.189 25515 8753 1 16 . 1 1 79 79 TYR N N 79 115.151 115.151 115.945 -0.794 25515 8754 1 16 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.551 0.070 25515 8755 1 16 . 1 1 79 79 TYR C C 79 175.424 175.424 177.306 -1.882 25515 8756 1 16 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.242 -2.669 25515 8757 1 16 . 1 1 79 79 TYR H H 79 8.505 8.505 8.498 0.007 25515 8758 1 16 . 1 1 80 80 GLY N N 80 110.813 110.813 106.725 4.088 25515 8759 1 16 . 1 1 80 80 GLY C C 80 177.481 177.481 174.913 2.568 25515 8760 1 16 . 1 1 80 80 GLY CA C 80 45.545 45.545 45.727 -0.182 25515 8761 1 16 . 1 1 80 80 GLY H H 80 8.222 8.222 8.425 -0.203 25515 8762 1 16 . 1 1 81 81 SER N N 81 117.578 117.578 115.818 1.760 25515 8763 1 16 . 1 1 81 81 SER C C 81 174.532 174.532 176.451 -1.919 25515 8764 1 16 . 1 1 81 81 SER CA C 81 61.579 61.579 59.157 2.422 25515 8765 1 16 . 1 1 81 81 SER H H 81 8.883 8.883 8.252 0.631 25515 8766 1 16 . 1 1 82 82 LEU N N 82 123.998 123.998 121.512 2.486 25515 8767 1 16 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.484 -0.213 25515 8768 1 16 . 1 1 82 82 LEU C C 82 173.400 173.400 178.468 -5.068 25515 8769 1 16 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.452 0.480 25515 8770 1 16 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.492 -0.105 25515 8771 1 16 . 1 1 82 82 LEU H H 82 8.920 8.920 8.182 0.738 25515 8772 1 16 . 1 1 83 83 GLY N N 83 105.677 105.677 106.143 -0.466 25515 8773 1 16 . 1 1 83 83 GLY C C 83 177.230 177.230 176.375 0.855 25515 8774 1 16 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.719 -0.071 25515 8775 1 16 . 1 1 83 83 GLY H H 83 7.565 7.565 8.911 -1.346 25515 8776 1 16 . 1 1 84 84 LEU N N 84 119.542 119.542 121.340 -1.798 25515 8777 1 16 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.170 -0.111 25515 8778 1 16 . 1 1 84 84 LEU C C 84 173.036 173.036 177.842 -4.806 25515 8779 1 16 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.986 0.447 25515 8780 1 16 . 1 1 84 84 LEU H H 84 7.495 7.495 7.624 -0.129 25515 8781 1 16 . 1 1 85 85 TYR N N 85 121.424 121.424 117.768 3.656 25515 8782 1 16 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.320 -0.062 25515 8783 1 16 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.486 0.484 25515 8784 1 16 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.829 0.479 25515 8785 1 16 . 1 1 85 85 TYR H H 85 7.894 7.894 7.582 0.312 25515 8786 1 16 . 1 1 86 86 VAL N N 86 120.088 120.088 119.717 0.371 25515 8787 1 16 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.466 -0.190 25515 8788 1 16 . 1 1 86 86 VAL C C 86 174.300 174.300 177.300 -3.000 25515 8789 1 16 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.069 2.240 25515 8790 1 16 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.155 0.518 25515 8791 1 16 . 1 1 86 86 VAL H H 86 8.402 8.402 8.425 -0.023 25515 8792 1 16 . 1 1 87 87 ALA N N 87 121.800 121.800 122.003 -0.203 25515 8793 1 16 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.191 -0.454 25515 8794 1 16 . 1 1 87 87 ALA C C 87 172.312 172.312 179.164 -6.852 25515 8795 1 16 . 1 1 87 87 ALA CA C 87 54.443 54.443 54.789 -0.346 25515 8796 1 16 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.414 -0.013 25515 8797 1 16 . 1 1 87 87 ALA H H 87 8.317 8.317 7.724 0.593 25515 8798 1 16 . 1 1 88 88 GLU N N 88 118.012 118.012 117.672 0.340 25515 8799 1 16 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.052 -0.177 25515 8800 1 16 . 1 1 88 88 GLU C C 88 174.071 174.071 179.048 -4.977 25515 8801 1 16 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.526 0.240 25515 8802 1 16 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.699 -0.150 25515 8803 1 16 . 1 1 88 88 GLU H H 88 7.777 7.777 7.644 0.133 25515 8804 1 16 . 1 1 89 89 GLN N N 89 116.164 116.164 117.937 -1.773 25515 8805 1 16 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.022 -0.311 25515 8806 1 16 . 1 1 89 89 GLN C C 89 174.572 174.572 177.808 -3.236 25515 8807 1 16 . 1 1 89 89 GLN CA C 89 57.045 57.045 58.078 -1.032 25515 8808 1 16 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.105 -0.441 25515 8809 1 16 . 1 1 89 89 GLN H H 89 7.704 7.704 7.529 0.175 25515 8810 1 16 . 1 1 90 90 PHE N N 90 114.734 114.734 116.726 -1.992 25515 8811 1 16 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.439 0.271 25515 8812 1 16 . 1 1 90 90 PHE C C 90 175.715 175.715 175.995 -0.280 25515 8813 1 16 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.184 -1.779 25515 8814 1 16 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.102 0.101 25515 8815 1 16 . 1 1 90 90 PHE H H 90 8.241 8.241 8.153 0.088 25515 8816 1 16 . 1 1 91 91 GLY N N 91 111.234 111.234 106.577 4.657 25515 8817 1 16 . 1 1 91 91 GLY C C 91 176.788 176.788 174.278 2.510 25515 8818 1 16 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.749 0.421 25515 8819 1 16 . 1 1 91 91 GLY H H 91 7.668 7.668 7.510 0.158 25515 8820 1 16 . 1 1 92 92 GLU N N 92 123.392 123.392 124.373 -0.981 25515 8821 1 16 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.866 -0.024 25515 8822 1 16 . 1 1 92 92 GLU C C 92 174.798 174.798 178.013 -3.215 25515 8823 1 16 . 1 1 92 92 GLU CA C 92 59.258 59.258 60.014 -0.756 25515 8824 1 16 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.750 -0.132 25515 8825 1 16 . 1 1 92 92 GLU H H 92 8.793 8.793 8.662 0.131 25515 8826 1 16 . 1 1 93 93 GLU N N 93 118.621 118.621 116.313 2.308 25515 8827 1 16 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.162 0.023 25515 8828 1 16 . 1 1 93 93 GLU C C 93 175.143 175.143 177.437 -2.294 25515 8829 1 16 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.240 -0.355 25515 8830 1 16 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.994 0.073 25515 8831 1 16 . 1 1 93 93 GLU H H 93 9.356 9.356 8.735 0.621 25515 8832 1 16 . 1 1 94 94 ASN N N 94 116.563 116.563 118.083 -1.520 25515 8833 1 16 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.818 0.093 25515 8834 1 16 . 1 1 94 94 ASN C C 94 176.192 176.192 177.728 -1.536 25515 8835 1 16 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.590 -1.278 25515 8836 1 16 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.701 0.043 25515 8837 1 16 . 1 1 94 94 ASN H H 94 7.881 7.881 7.777 0.104 25515 8838 1 16 . 1 1 95 95 VAL N N 95 119.858 119.858 119.420 0.438 25515 8839 1 16 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.627 0.113 25515 8840 1 16 . 1 1 95 95 VAL C C 95 175.715 175.715 176.989 -1.274 25515 8841 1 16 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.949 -1.451 25515 8842 1 16 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.240 0.726 25515 8843 1 16 . 1 1 95 95 VAL H H 95 7.405 7.405 8.512 -1.107 25515 8844 1 16 . 1 1 96 96 ASN N N 96 116.409 116.409 117.472 -1.063 25515 8845 1 16 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.565 -0.107 25515 8846 1 16 . 1 1 96 96 ASN C C 96 175.322 175.322 176.765 -1.443 25515 8847 1 16 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.711 0.007 25515 8848 1 16 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.148 0.068 25515 8849 1 16 . 1 1 96 96 ASN H H 96 8.356 8.356 8.231 0.125 25515 8850 1 16 . 1 1 97 97 THR N N 97 111.266 111.266 113.911 -2.645 25515 8851 1 16 . 1 1 97 97 THR HA H 97 3.993 3.993 4.085 -0.092 25515 8852 1 16 . 1 1 97 97 THR C C 97 177.418 177.418 175.518 1.900 25515 8853 1 16 . 1 1 97 97 THR CA C 97 63.604 63.604 65.485 -1.881 25515 8854 1 16 . 1 1 97 97 THR CB C 97 69.162 69.162 69.046 0.116 25515 8855 1 16 . 1 1 97 97 THR H H 97 7.575 7.575 8.347 -0.772 25515 8856 1 16 . 1 1 98 98 TYR N N 98 119.963 119.963 119.885 0.078 25515 8857 1 16 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.354 -0.032 25515 8858 1 16 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.261 -1.062 25515 8859 1 16 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.487 -0.243 25515 8860 1 16 . 1 1 98 98 TYR H H 98 7.480 7.480 7.840 -0.360 25515 8861 1 16 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.497 0.063 25515 8862 1 16 . 1 1 99 99 PHE C C 99 177.317 177.317 175.546 1.771 25515 8863 1 16 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.594 -0.601 25515 8864 1 16 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.970 0.672 25515 8865 1 17 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.548 -0.257 25515 8866 1 17 . 1 1 2 2 ALA C C 2 175.019 175.019 176.344 -1.325 25515 8867 1 17 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.462 1.109 25515 8868 1 17 . 1 1 2 2 ALA CB C 2 19.119 19.119 18.697 0.422 25515 8869 1 17 . 1 1 3 3 ASP N N 3 120.192 120.192 122.335 -2.143 25515 8870 1 17 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.664 -0.179 25515 8871 1 17 . 1 1 3 3 ASP C C 3 175.549 175.549 176.608 -1.059 25515 8872 1 17 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.776 0.476 25515 8873 1 17 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.856 -1.624 25515 8874 1 17 . 1 1 3 3 ASP H H 3 8.336 8.336 8.246 0.090 25515 8875 1 17 . 1 1 4 4 GLN N N 4 121.286 121.286 121.231 0.055 25515 8876 1 17 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.297 -0.095 25515 8877 1 17 . 1 1 4 4 GLN C C 4 175.579 175.579 175.713 -0.134 25515 8878 1 17 . 1 1 4 4 GLN CA C 4 56.326 56.326 56.781 -0.455 25515 8879 1 17 . 1 1 4 4 GLN CB C 4 29.117 29.117 28.433 0.684 25515 8880 1 17 . 1 1 4 4 GLN H H 4 8.404 8.404 8.579 -0.175 25515 8881 1 17 . 1 1 5 5 ARG N N 5 121.138 121.138 122.733 -1.595 25515 8882 1 17 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.504 -0.340 25515 8883 1 17 . 1 1 5 5 ARG C C 5 175.327 175.327 176.415 -1.088 25515 8884 1 17 . 1 1 5 5 ARG CA C 5 56.776 56.776 54.869 1.907 25515 8885 1 17 . 1 1 5 5 ARG CB C 5 30.511 30.511 32.342 -1.831 25515 8886 1 17 . 1 1 5 5 ARG H H 5 8.281 8.281 8.338 -0.057 25515 8887 1 17 . 1 1 6 6 GLN N N 6 120.348 120.348 117.671 2.677 25515 8888 1 17 . 1 1 6 6 GLN HA H 6 4.189 4.189 3.920 0.269 25515 8889 1 17 . 1 1 6 6 GLN C C 6 175.838 175.838 175.611 0.227 25515 8890 1 17 . 1 1 6 6 GLN CA C 6 56.208 56.208 57.268 -1.060 25515 8891 1 17 . 1 1 6 6 GLN CB C 6 29.131 29.131 28.486 0.645 25515 8892 1 17 . 1 1 6 6 GLN H H 6 8.253 8.253 8.433 -0.180 25515 8893 1 17 . 1 1 7 7 ARG N N 7 121.761 121.761 119.208 2.553 25515 8894 1 17 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.319 -0.078 25515 8895 1 17 . 1 1 7 7 ARG C C 7 175.708 175.708 177.886 -2.178 25515 8896 1 17 . 1 1 7 7 ARG CA C 7 56.336 56.336 57.971 -1.635 25515 8897 1 17 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.355 0.416 25515 8898 1 17 . 1 1 7 7 ARG H H 7 8.211 8.211 8.572 -0.361 25515 8899 1 17 . 1 1 8 8 SER N N 8 116.450 116.450 114.663 1.787 25515 8900 1 17 . 1 1 8 8 SER HA H 8 4.384 4.384 4.411 -0.027 25515 8901 1 17 . 1 1 8 8 SER C C 8 177.569 177.569 176.331 1.238 25515 8902 1 17 . 1 1 8 8 SER CA C 8 58.298 58.298 61.609 -3.311 25515 8903 1 17 . 1 1 8 8 SER CB C 8 63.786 63.786 62.468 1.318 25515 8904 1 17 . 1 1 8 8 SER H H 8 8.220 8.220 8.320 -0.100 25515 8905 1 17 . 1 1 9 9 LEU N N 9 123.709 123.709 116.266 7.443 25515 8906 1 17 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.197 0.157 25515 8907 1 17 . 1 1 9 9 LEU C C 9 174.915 174.915 177.380 -2.465 25515 8908 1 17 . 1 1 9 9 LEU CA C 9 54.976 54.976 57.277 -2.301 25515 8909 1 17 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.693 0.985 25515 8910 1 17 . 1 1 9 9 LEU H H 9 8.091 8.091 8.395 -0.304 25515 8911 1 17 . 1 1 10 10 SER N N 10 115.478 115.478 114.042 1.436 25515 8912 1 17 . 1 1 10 10 SER HA H 10 4.561 4.561 4.524 0.037 25515 8913 1 17 . 1 1 10 10 SER C C 10 177.096 177.096 174.557 2.539 25515 8914 1 17 . 1 1 10 10 SER CA C 10 58.016 58.016 60.498 -2.482 25515 8915 1 17 . 1 1 10 10 SER CB C 10 64.062 64.062 64.481 -0.419 25515 8916 1 17 . 1 1 10 10 SER H H 10 8.187 8.187 7.690 0.497 25515 8917 1 17 . 1 1 11 11 THR N N 11 114.393 114.393 115.199 -0.806 25515 8918 1 17 . 1 1 11 11 THR HA H 11 4.516 4.516 4.611 -0.095 25515 8919 1 17 . 1 1 11 11 THR C C 11 177.232 177.232 174.672 2.560 25515 8920 1 17 . 1 1 11 11 THR CA C 11 61.740 61.740 60.832 0.908 25515 8921 1 17 . 1 1 11 11 THR CB C 11 69.478 69.478 69.207 0.271 25515 8922 1 17 . 1 1 11 11 THR H H 11 8.180 8.180 8.149 0.031 25515 8923 1 17 . 1 1 12 12 SER N N 12 117.125 117.125 120.932 -3.807 25515 8924 1 17 . 1 1 12 12 SER HA H 12 4.391 4.391 4.335 0.056 25515 8925 1 17 . 1 1 12 12 SER C C 12 176.856 176.856 175.416 1.440 25515 8926 1 17 . 1 1 12 12 SER CA C 12 58.537 58.537 59.922 -1.385 25515 8927 1 17 . 1 1 12 12 SER CB C 12 63.915 63.915 63.307 0.608 25515 8928 1 17 . 1 1 12 12 SER H H 12 8.171 8.171 8.780 -0.609 25515 8929 1 17 . 1 1 13 13 GLY N N 13 111.544 111.544 108.040 3.504 25515 8930 1 17 . 1 1 13 13 GLY C C 13 178.243 178.243 173.918 4.325 25515 8931 1 17 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.839 -0.359 25515 8932 1 17 . 1 1 13 13 GLY H H 13 8.381 8.381 8.406 -0.025 25515 8933 1 17 . 1 1 14 14 GLU N N 14 119.223 119.223 118.840 0.383 25515 8934 1 17 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.511 -0.071 25515 8935 1 17 . 1 1 14 14 GLU C C 14 174.876 174.876 175.779 -0.903 25515 8936 1 17 . 1 1 14 14 GLU CA C 14 56.424 56.424 56.278 0.146 25515 8937 1 17 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.590 0.388 25515 8938 1 17 . 1 1 14 14 GLU H H 14 8.149 8.149 7.959 0.190 25515 8939 1 17 . 1 1 15 15 SER N N 15 117.752 117.752 117.161 0.591 25515 8940 1 17 . 1 1 15 15 SER H H 15 8.437 8.437 8.601 -0.164 25515 8941 1 17 . 1 1 16 16 LEU N N 16 121.072 121.072 121.438 -0.366 25515 8942 1 17 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.066 -0.205 25515 8943 1 17 . 1 1 16 16 LEU C C 16 174.423 174.423 179.023 -4.600 25515 8944 1 17 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.716 -0.291 25515 8945 1 17 . 1 1 16 16 LEU CB C 16 41.676 41.676 40.785 0.891 25515 8946 1 17 . 1 1 16 16 LEU H H 16 8.233 8.233 8.426 -0.193 25515 8947 1 17 . 1 1 17 17 TYR N N 17 111.961 111.961 114.594 -2.633 25515 8948 1 17 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.126 -0.464 25515 8949 1 17 . 1 1 17 17 TYR C C 17 173.256 173.256 178.059 -4.803 25515 8950 1 17 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.758 0.108 25515 8951 1 17 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.590 -0.183 25515 8952 1 17 . 1 1 17 17 TYR H H 17 6.929 6.929 8.071 -1.142 25515 8953 1 17 . 1 1 18 18 HIS N N 18 119.254 119.254 118.457 0.797 25515 8954 1 17 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.398 0.041 25515 8955 1 17 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.239 -0.325 25515 8956 1 17 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.652 -1.037 25515 8957 1 17 . 1 1 18 18 HIS H H 18 7.672 7.672 7.645 0.027 25515 8958 1 17 . 1 1 19 19 VAL N N 19 120.746 120.746 119.196 1.550 25515 8959 1 17 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.821 -0.116 25515 8960 1 17 . 1 1 19 19 VAL C C 19 175.643 175.643 176.937 -1.294 25515 8961 1 17 . 1 1 19 19 VAL CA C 19 65.533 65.533 64.942 0.591 25515 8962 1 17 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.411 0.054 25515 8963 1 17 . 1 1 19 19 VAL H H 19 7.883 7.883 7.625 0.258 25515 8964 1 17 . 1 1 20 20 LEU N N 20 114.576 114.576 116.771 -2.195 25515 8965 1 17 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.318 0.043 25515 8966 1 17 . 1 1 20 20 LEU C C 20 175.746 175.746 177.036 -1.290 25515 8967 1 17 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.928 -1.647 25515 8968 1 17 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.246 0.654 25515 8969 1 17 . 1 1 20 20 LEU H H 20 6.626 6.626 7.330 -0.704 25515 8970 1 17 . 1 1 21 21 GLY N N 21 109.239 109.239 106.628 2.611 25515 8971 1 17 . 1 1 21 21 GLY C C 21 177.637 177.637 174.552 3.085 25515 8972 1 17 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.676 0.607 25515 8973 1 17 . 1 1 21 21 GLY H H 21 7.991 7.991 7.500 0.491 25515 8974 1 17 . 1 1 22 22 LEU N N 22 119.495 119.495 116.370 3.125 25515 8975 1 17 . 1 1 22 22 LEU HA H 22 4.767 4.767 5.049 -0.282 25515 8976 1 17 . 1 1 22 22 LEU C C 22 177.306 177.306 175.434 1.872 25515 8977 1 17 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.219 -0.337 25515 8978 1 17 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.739 2.168 25515 8979 1 17 . 1 1 22 22 LEU H H 22 7.765 7.765 7.675 0.090 25515 8980 1 17 . 1 1 23 23 ASP N N 23 118.518 118.518 119.175 -0.657 25515 8981 1 17 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.865 -0.276 25515 8982 1 17 . 1 1 23 23 ASP C C 23 176.597 176.597 177.134 -0.537 25515 8983 1 17 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.416 -1.385 25515 8984 1 17 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.661 0.820 25515 8985 1 17 . 1 1 23 23 ASP H H 23 7.977 7.977 8.409 -0.432 25515 8986 1 17 . 1 1 24 24 LYS N N 24 115.499 115.499 117.848 -2.349 25515 8987 1 17 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.362 -1.210 25515 8988 1 17 . 1 1 24 24 LYS C C 24 176.231 176.231 176.262 -0.031 25515 8989 1 17 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.791 -0.724 25515 8990 1 17 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.477 0.885 25515 8991 1 17 . 1 1 24 24 LYS H H 24 7.811 7.811 8.493 -0.682 25515 8992 1 17 . 1 1 25 25 ASN N N 25 115.622 115.622 115.933 -0.311 25515 8993 1 17 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.729 -0.204 25515 8994 1 17 . 1 1 25 25 ASN C C 25 176.698 176.698 175.076 1.622 25515 8995 1 17 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.733 0.140 25515 8996 1 17 . 1 1 25 25 ASN CB C 25 38.074 38.074 38.566 -0.492 25515 8997 1 17 . 1 1 25 25 ASN H H 25 7.817 7.817 7.905 -0.088 25515 8998 1 17 . 1 1 26 26 ALA N N 26 122.970 122.970 123.540 -0.570 25515 8999 1 17 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.345 0.014 25515 9000 1 17 . 1 1 26 26 ALA C C 26 173.847 173.847 176.181 -2.334 25515 9001 1 17 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.306 0.611 25515 9002 1 17 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.304 0.663 25515 9003 1 17 . 1 1 26 26 ALA H H 26 7.646 7.646 7.545 0.101 25515 9004 1 17 . 1 1 27 27 THR N N 27 113.252 113.252 113.080 0.172 25515 9005 1 17 . 1 1 27 27 THR HA H 27 4.657 4.657 4.614 0.043 25515 9006 1 17 . 1 1 27 27 THR C C 27 175.986 175.986 176.008 -0.022 25515 9007 1 17 . 1 1 27 27 THR CA C 27 60.427 60.427 59.744 0.683 25515 9008 1 17 . 1 1 27 27 THR CB C 27 71.702 71.702 71.322 0.380 25515 9009 1 17 . 1 1 27 27 THR H H 27 9.089 9.089 8.213 0.876 25515 9010 1 17 . 1 1 28 28 SER N N 28 115.961 115.961 117.772 -1.811 25515 9011 1 17 . 1 1 28 28 SER HA H 28 3.930 3.930 4.006 -0.076 25515 9012 1 17 . 1 1 28 28 SER C C 28 175.440 175.440 176.036 -0.596 25515 9013 1 17 . 1 1 28 28 SER CA C 28 62.515 62.515 63.133 -0.618 25515 9014 1 17 . 1 1 28 28 SER CB C 28 62.713 62.713 63.141 -0.428 25515 9015 1 17 . 1 1 28 28 SER H H 28 9.095 9.095 8.782 0.313 25515 9016 1 17 . 1 1 29 29 ASP N N 29 119.797 119.797 120.476 -0.679 25515 9017 1 17 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.456 -0.053 25515 9018 1 17 . 1 1 29 29 ASP C C 29 173.862 173.862 177.931 -4.069 25515 9019 1 17 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.387 0.396 25515 9020 1 17 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.858 0.193 25515 9021 1 17 . 1 1 29 29 ASP H H 29 8.122 8.122 8.475 -0.353 25515 9022 1 17 . 1 1 30 30 ASP N N 30 120.847 120.847 119.838 1.009 25515 9023 1 17 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.449 -0.102 25515 9024 1 17 . 1 1 30 30 ASP C C 30 172.627 172.627 178.864 -6.237 25515 9025 1 17 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.610 0.079 25515 9026 1 17 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.002 -0.020 25515 9027 1 17 . 1 1 30 30 ASP H H 30 7.851 7.851 7.726 0.125 25515 9028 1 17 . 1 1 31 31 ILE N N 31 121.776 121.776 120.785 0.991 25515 9029 1 17 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.683 -0.167 25515 9030 1 17 . 1 1 31 31 ILE C C 31 174.709 174.709 178.126 -3.417 25515 9031 1 17 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.428 0.058 25515 9032 1 17 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.889 0.352 25515 9033 1 17 . 1 1 31 31 ILE H H 31 8.122 8.122 8.234 -0.112 25515 9034 1 17 . 1 1 32 32 LYS N N 32 119.510 119.510 120.259 -0.749 25515 9035 1 17 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.381 -0.304 25515 9036 1 17 . 1 1 32 32 LYS C C 32 172.959 172.959 179.126 -6.167 25515 9037 1 17 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.833 1.002 25515 9038 1 17 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.596 -0.092 25515 9039 1 17 . 1 1 32 32 LYS H H 32 8.172 8.172 8.149 0.023 25515 9040 1 17 . 1 1 33 33 LYS N N 33 119.042 119.042 120.506 -1.464 25515 9041 1 17 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.023 -0.055 25515 9042 1 17 . 1 1 33 33 LYS C C 33 172.323 172.323 179.173 -6.850 25515 9043 1 17 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.791 0.215 25515 9044 1 17 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.355 0.358 25515 9045 1 17 . 1 1 33 33 LYS H H 33 8.342 8.342 8.300 0.042 25515 9046 1 17 . 1 1 34 34 SER N N 34 115.060 115.060 115.508 -0.448 25515 9047 1 17 . 1 1 34 34 SER HA H 34 4.260 4.260 4.194 0.066 25515 9048 1 17 . 1 1 34 34 SER C C 34 175.503 175.503 176.166 -0.663 25515 9049 1 17 . 1 1 34 34 SER CA C 34 61.734 61.734 62.157 -0.423 25515 9050 1 17 . 1 1 34 34 SER CB C 34 63.088 63.088 63.045 0.043 25515 9051 1 17 . 1 1 34 34 SER H H 34 8.161 8.161 8.416 -0.255 25515 9052 1 17 . 1 1 35 35 TYR N N 35 119.241 119.241 123.131 -3.890 25515 9053 1 17 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.016 -0.142 25515 9054 1 17 . 1 1 35 35 TYR C C 35 176.352 176.352 176.895 -0.543 25515 9055 1 17 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.400 0.469 25515 9056 1 17 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.292 0.498 25515 9057 1 17 . 1 1 35 35 TYR H H 35 8.499 8.499 8.049 0.450 25515 9058 1 17 . 1 1 36 36 ARG N N 36 116.674 116.674 117.811 -1.137 25515 9059 1 17 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.437 0.016 25515 9060 1 17 . 1 1 36 36 ARG C C 36 173.135 173.135 178.655 -5.520 25515 9061 1 17 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.470 1.140 25515 9062 1 17 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.180 0.699 25515 9063 1 17 . 1 1 36 36 ARG H H 36 7.967 7.967 8.078 -0.111 25515 9064 1 17 . 1 1 37 37 LYS N N 37 116.974 116.974 119.103 -2.129 25515 9065 1 17 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.993 -0.023 25515 9066 1 17 . 1 1 37 37 LYS C C 37 172.489 172.489 179.681 -7.192 25515 9067 1 17 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.373 0.004 25515 9068 1 17 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.225 0.532 25515 9069 1 17 . 1 1 37 37 LYS H H 37 7.275 7.275 8.121 -0.846 25515 9070 1 17 . 1 1 38 38 LEU N N 38 120.978 120.978 118.676 2.302 25515 9071 1 17 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.327 -0.304 25515 9072 1 17 . 1 1 38 38 LEU C C 38 173.557 173.557 178.442 -4.885 25515 9073 1 17 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.547 0.857 25515 9074 1 17 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.170 0.198 25515 9075 1 17 . 1 1 38 38 LEU H H 38 8.268 8.268 7.610 0.658 25515 9076 1 17 . 1 1 39 39 ALA N N 39 122.700 122.700 123.147 -0.447 25515 9077 1 17 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.924 -0.039 25515 9078 1 17 . 1 1 39 39 ALA C C 39 172.721 172.721 179.353 -6.632 25515 9079 1 17 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.478 -0.038 25515 9080 1 17 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.188 -1.238 25515 9081 1 17 . 1 1 39 39 ALA H H 39 9.043 9.043 8.322 0.721 25515 9082 1 17 . 1 1 40 40 LEU N N 40 114.462 114.462 114.524 -0.062 25515 9083 1 17 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.152 -0.120 25515 9084 1 17 . 1 1 40 40 LEU C C 40 173.110 173.110 179.361 -6.251 25515 9085 1 17 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.902 0.407 25515 9086 1 17 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.142 1.892 25515 9087 1 17 . 1 1 40 40 LEU H H 40 6.862 6.862 7.620 -0.758 25515 9088 1 17 . 1 1 41 41 LYS N N 41 118.126 118.126 121.405 -3.279 25515 9089 1 17 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.835 0.007 25515 9090 1 17 . 1 1 41 41 LYS C C 41 173.695 173.695 177.694 -3.999 25515 9091 1 17 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.019 -0.277 25515 9092 1 17 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.327 0.660 25515 9093 1 17 . 1 1 41 41 LYS H H 41 7.135 7.135 7.807 -0.672 25515 9094 1 17 . 1 1 42 42 TYR N N 42 113.902 113.902 114.506 -0.604 25515 9095 1 17 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.648 -0.158 25515 9096 1 17 . 1 1 42 42 TYR C C 42 178.884 178.884 175.042 3.842 25515 9097 1 17 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.545 0.468 25515 9098 1 17 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.817 -0.307 25515 9099 1 17 . 1 1 42 42 TYR H H 42 7.756 7.756 7.971 -0.215 25515 9100 1 17 . 1 1 43 43 HIS N N 43 120.909 120.909 122.908 -1.999 25515 9101 1 17 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.473 -1.001 25515 9102 1 17 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.382 0.517 25515 9103 1 17 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.419 -0.294 25515 9104 1 17 . 1 1 43 43 HIS H H 43 7.134 7.134 7.868 -0.734 25515 9105 1 17 . 1 1 44 44 PRO HA H 44 3.998 3.998 3.936 0.062 25515 9106 1 17 . 1 1 44 44 PRO C C 44 172.774 172.774 178.348 -5.574 25515 9107 1 17 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.783 -0.178 25515 9108 1 17 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.400 0.210 25515 9109 1 17 . 1 1 45 45 ASP N N 45 121.379 121.379 116.163 5.216 25515 9110 1 17 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.404 -0.047 25515 9111 1 17 . 1 1 45 45 ASP C C 45 173.968 173.968 177.022 -3.054 25515 9112 1 17 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.640 1.131 25515 9113 1 17 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.711 -0.588 25515 9114 1 17 . 1 1 45 45 ASP H H 45 10.727 10.727 8.286 2.441 25515 9115 1 17 . 1 1 46 46 LYS N N 46 115.902 115.902 117.018 -1.116 25515 9116 1 17 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.325 0.033 25515 9117 1 17 . 1 1 46 46 LYS C C 46 176.450 176.450 176.630 -0.180 25515 9118 1 17 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.252 -1.478 25515 9119 1 17 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.236 0.953 25515 9120 1 17 . 1 1 46 46 LYS H H 46 7.475 7.475 8.086 -0.611 25515 9121 1 17 . 1 1 47 47 ASN N N 47 117.709 117.709 119.819 -2.110 25515 9122 1 17 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.067 0.083 25515 9123 1 17 . 1 1 47 47 ASN C C 47 170.657 170.657 173.726 -3.069 25515 9124 1 17 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.443 0.097 25515 9125 1 17 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.098 2.458 25515 9126 1 17 . 1 1 47 47 ASN H H 47 7.410 7.410 7.467 -0.057 25515 9127 1 17 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.504 -0.138 25515 9128 1 17 . 1 1 48 48 PRO C C 48 174.739 174.739 176.606 -1.867 25515 9129 1 17 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.286 1.826 25515 9130 1 17 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.330 -0.806 25515 9131 1 17 . 1 1 49 49 ASP N N 49 117.619 117.619 116.838 0.781 25515 9132 1 17 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.382 -0.005 25515 9133 1 17 . 1 1 49 49 ASP C C 49 177.335 177.335 175.749 1.586 25515 9134 1 17 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.488 -0.903 25515 9135 1 17 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.594 -0.340 25515 9136 1 17 . 1 1 49 49 ASP H H 49 8.679 8.679 8.357 0.322 25515 9137 1 17 . 1 1 50 50 ASN N N 50 114.537 114.537 119.323 -4.786 25515 9138 1 17 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.727 0.473 25515 9139 1 17 . 1 1 50 50 ASN C C 50 178.245 178.245 174.451 3.794 25515 9140 1 17 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.671 -1.536 25515 9141 1 17 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.116 1.460 25515 9142 1 17 . 1 1 50 50 ASN H H 50 7.341 7.341 8.305 -0.964 25515 9143 1 17 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.587 -0.223 25515 9144 1 17 . 1 1 51 51 PRO C C 51 173.714 173.714 177.574 -3.860 25515 9145 1 17 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.107 1.511 25515 9146 1 17 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.065 0.036 25515 9147 1 17 . 1 1 52 52 GLU N N 52 118.597 118.597 121.280 -2.683 25515 9148 1 17 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.095 0.093 25515 9149 1 17 . 1 1 52 52 GLU C C 52 173.216 173.216 178.110 -4.894 25515 9150 1 17 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.135 -1.185 25515 9151 1 17 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.546 -0.347 25515 9152 1 17 . 1 1 52 52 GLU H H 52 8.048 8.048 8.731 -0.683 25515 9153 1 17 . 1 1 53 53 ALA N N 53 122.149 122.149 121.358 0.791 25515 9154 1 17 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.278 -0.304 25515 9155 1 17 . 1 1 53 53 ALA C C 53 173.485 173.485 179.376 -5.891 25515 9156 1 17 . 1 1 53 53 ALA CA C 53 55.071 55.071 55.023 0.048 25515 9157 1 17 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.133 -0.355 25515 9158 1 17 . 1 1 53 53 ALA H H 53 7.606 7.606 8.215 -0.609 25515 9159 1 17 . 1 1 54 54 ALA N N 54 119.475 119.475 120.760 -1.285 25515 9160 1 17 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.096 0.131 25515 9161 1 17 . 1 1 54 54 ALA C C 54 171.125 171.125 179.437 -8.312 25515 9162 1 17 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.907 0.264 25515 9163 1 17 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.342 -0.495 25515 9164 1 17 . 1 1 54 54 ALA H H 54 7.680 7.680 8.129 -0.449 25515 9165 1 17 . 1 1 55 55 ASP N N 55 120.134 120.134 119.777 0.357 25515 9166 1 17 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.363 0.058 25515 9167 1 17 . 1 1 55 55 ASP C C 55 173.088 173.088 178.936 -5.848 25515 9168 1 17 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.526 -0.120 25515 9169 1 17 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.472 -0.143 25515 9170 1 17 . 1 1 55 55 ASP H H 55 7.983 7.983 8.244 -0.261 25515 9171 1 17 . 1 1 56 56 LYS N N 56 120.915 120.915 119.875 1.040 25515 9172 1 17 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.890 0.020 25515 9173 1 17 . 1 1 56 56 LYS C C 56 173.210 173.210 178.665 -5.455 25515 9174 1 17 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.721 -0.240 25515 9175 1 17 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.672 -0.764 25515 9176 1 17 . 1 1 56 56 LYS H H 56 7.758 7.758 8.223 -0.465 25515 9177 1 17 . 1 1 57 57 PHE N N 57 120.024 120.024 120.513 -0.489 25515 9178 1 17 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.043 -0.038 25515 9179 1 17 . 1 1 57 57 PHE C C 57 174.430 174.430 177.221 -2.791 25515 9180 1 17 . 1 1 57 57 PHE CA C 57 61.540 61.540 61.971 -0.431 25515 9181 1 17 . 1 1 57 57 PHE CB C 57 39.088 39.088 39.052 0.036 25515 9182 1 17 . 1 1 57 57 PHE H H 57 8.861 8.861 8.713 0.148 25515 9183 1 17 . 1 1 58 58 LYS N N 58 119.306 119.306 119.800 -0.494 25515 9184 1 17 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.896 0.057 25515 9185 1 17 . 1 1 58 58 LYS C C 58 172.875 172.875 178.570 -5.695 25515 9186 1 17 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.161 -0.300 25515 9187 1 17 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.379 -0.070 25515 9188 1 17 . 1 1 58 58 LYS H H 58 7.846 7.846 8.637 -0.791 25515 9189 1 17 . 1 1 59 59 GLU N N 59 119.732 119.732 118.411 1.321 25515 9190 1 17 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.100 -0.051 25515 9191 1 17 . 1 1 59 59 GLU C C 59 171.935 171.935 179.078 -7.143 25515 9192 1 17 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.001 0.472 25515 9193 1 17 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.218 0.609 25515 9194 1 17 . 1 1 59 59 GLU H H 59 7.732 7.732 7.995 -0.263 25515 9195 1 17 . 1 1 60 60 ILE N N 60 119.074 119.074 121.680 -2.606 25515 9196 1 17 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.580 0.108 25515 9197 1 17 . 1 1 60 60 ILE C C 60 174.424 174.424 178.094 -3.670 25515 9198 1 17 . 1 1 60 60 ILE CA C 60 65.274 65.274 65.972 -0.698 25515 9199 1 17 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.617 0.830 25515 9200 1 17 . 1 1 60 60 ILE H H 60 8.429 8.429 8.452 -0.023 25515 9201 1 17 . 1 1 61 61 ASN N N 61 120.038 120.038 117.323 2.715 25515 9202 1 17 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.223 0.078 25515 9203 1 17 . 1 1 61 61 ASN C C 61 174.271 174.271 177.516 -3.245 25515 9204 1 17 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.298 0.258 25515 9205 1 17 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.490 -0.207 25515 9206 1 17 . 1 1 61 61 ASN H H 61 8.025 8.025 8.453 -0.428 25515 9207 1 17 . 1 1 62 62 ASN N N 62 119.502 119.502 118.679 0.823 25515 9208 1 17 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.423 -0.113 25515 9209 1 17 . 1 1 62 62 ASN C C 62 176.042 176.042 177.050 -1.008 25515 9210 1 17 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.928 0.620 25515 9211 1 17 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.312 0.409 25515 9212 1 17 . 1 1 62 62 ASN H H 62 8.042 8.042 8.139 -0.097 25515 9213 1 17 . 1 1 63 63 ALA N N 63 119.769 119.769 122.748 -2.979 25515 9214 1 17 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.809 -0.123 25515 9215 1 17 . 1 1 63 63 ALA C C 63 173.564 173.564 179.292 -5.728 25515 9216 1 17 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.944 0.597 25515 9217 1 17 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.825 0.681 25515 9218 1 17 . 1 1 63 63 ALA H H 63 7.944 7.944 8.280 -0.336 25515 9219 1 17 . 1 1 64 64 HIS N N 64 115.292 115.292 117.923 -2.631 25515 9220 1 17 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.097 -0.570 25515 9221 1 17 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.168 1.216 25515 9222 1 17 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.531 0.404 25515 9223 1 17 . 1 1 64 64 HIS H H 64 8.055 8.055 8.394 -0.339 25515 9224 1 17 . 1 1 65 65 ALA N N 65 122.093 122.093 120.811 1.282 25515 9225 1 17 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.969 -0.463 25515 9226 1 17 . 1 1 65 65 ALA C C 65 172.454 172.454 179.310 -6.856 25515 9227 1 17 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.303 1.688 25515 9228 1 17 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.325 -1.187 25515 9229 1 17 . 1 1 65 65 ALA H H 65 7.944 7.944 7.705 0.239 25515 9230 1 17 . 1 1 66 66 ILE N N 66 115.954 115.954 119.059 -3.105 25515 9231 1 17 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.677 -0.219 25515 9232 1 17 . 1 1 66 66 ILE C C 66 175.394 175.394 177.925 -2.531 25515 9233 1 17 . 1 1 66 66 ILE CA C 66 63.608 63.608 62.788 0.820 25515 9234 1 17 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.780 1.209 25515 9235 1 17 . 1 1 66 66 ILE H H 66 7.358 7.358 7.977 -0.619 25515 9236 1 17 . 1 1 67 67 LEU N N 67 111.268 111.268 116.618 -5.350 25515 9237 1 17 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.986 -0.311 25515 9238 1 17 . 1 1 67 67 LEU C C 67 174.490 174.490 178.455 -3.965 25515 9239 1 17 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.585 -0.018 25515 9240 1 17 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.212 1.842 25515 9241 1 17 . 1 1 67 67 LEU H H 67 7.743 7.743 7.769 -0.026 25515 9242 1 17 . 1 1 68 68 THR N N 68 103.399 103.399 110.328 -6.929 25515 9243 1 17 . 1 1 68 68 THR HA H 68 4.023 4.023 4.237 -0.214 25515 9244 1 17 . 1 1 68 68 THR C C 68 178.796 178.796 173.855 4.941 25515 9245 1 17 . 1 1 68 68 THR CA C 68 61.672 61.672 61.390 0.282 25515 9246 1 17 . 1 1 68 68 THR CB C 68 69.052 69.052 67.695 1.357 25515 9247 1 17 . 1 1 68 68 THR H H 68 7.104 7.104 7.716 -0.612 25515 9248 1 17 . 1 1 69 69 ASP N N 69 125.057 125.057 120.975 4.082 25515 9249 1 17 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.723 -0.022 25515 9250 1 17 . 1 1 69 69 ASP C C 69 177.204 177.204 175.418 1.786 25515 9251 1 17 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.644 0.115 25515 9252 1 17 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.527 -0.776 25515 9253 1 17 . 1 1 69 69 ASP H H 69 7.076 7.076 7.446 -0.370 25515 9254 1 17 . 1 1 70 70 ALA N N 70 128.178 128.178 124.257 3.921 25515 9255 1 17 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.204 -0.307 25515 9256 1 17 . 1 1 70 70 ALA C C 70 171.909 171.909 178.860 -6.951 25515 9257 1 17 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.442 1.384 25515 9258 1 17 . 1 1 70 70 ALA CB C 70 18.474 18.474 19.862 -1.388 25515 9259 1 17 . 1 1 70 70 ALA H H 70 8.761 8.761 8.404 0.357 25515 9260 1 17 . 1 1 71 71 THR N N 71 113.629 113.629 115.533 -1.904 25515 9261 1 17 . 1 1 71 71 THR HA H 71 3.981 3.981 4.017 -0.036 25515 9262 1 17 . 1 1 71 71 THR C C 71 175.038 175.038 176.374 -1.336 25515 9263 1 17 . 1 1 71 71 THR CA C 71 66.164 66.164 66.541 -0.377 25515 9264 1 17 . 1 1 71 71 THR CB C 71 68.319 68.319 69.071 -0.752 25515 9265 1 17 . 1 1 71 71 THR H H 71 7.957 7.957 8.295 -0.338 25515 9266 1 17 . 1 1 72 72 LYS N N 72 122.501 122.501 120.271 2.230 25515 9267 1 17 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.092 -0.282 25515 9268 1 17 . 1 1 72 72 LYS C C 72 173.814 173.814 178.308 -4.494 25515 9269 1 17 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.298 0.993 25515 9270 1 17 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.432 0.374 25515 9271 1 17 . 1 1 72 72 LYS H H 72 8.309 8.309 9.026 -0.717 25515 9272 1 17 . 1 1 73 73 ARG N N 73 120.595 120.595 117.977 2.618 25515 9273 1 17 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.231 -0.628 25515 9274 1 17 . 1 1 73 73 ARG C C 73 174.477 174.477 177.809 -3.332 25515 9275 1 17 . 1 1 73 73 ARG CA C 73 60.829 60.829 57.603 3.226 25515 9276 1 17 . 1 1 73 73 ARG H H 73 9.258 9.258 8.136 1.122 25515 9277 1 17 . 1 1 74 74 ASN N N 74 115.425 115.425 119.064 -3.639 25515 9278 1 17 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.564 -0.133 25515 9279 1 17 . 1 1 74 74 ASN C C 74 174.296 174.296 177.895 -3.599 25515 9280 1 17 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.519 0.191 25515 9281 1 17 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.497 0.233 25515 9282 1 17 . 1 1 74 74 ASN H H 74 7.534 7.534 7.707 -0.173 25515 9283 1 17 . 1 1 75 75 ILE N N 75 119.020 119.020 118.316 0.704 25515 9284 1 17 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.798 -0.165 25515 9285 1 17 . 1 1 75 75 ILE C C 75 174.667 174.667 177.067 -2.400 25515 9286 1 17 . 1 1 75 75 ILE CA C 75 65.505 65.505 62.900 2.605 25515 9287 1 17 . 1 1 75 75 ILE CB C 75 38.225 38.225 35.876 2.349 25515 9288 1 17 . 1 1 75 75 ILE H H 75 7.656 7.656 8.280 -0.624 25515 9289 1 17 . 1 1 76 76 TYR N N 76 121.913 121.913 121.099 0.814 25515 9290 1 17 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.082 -0.067 25515 9291 1 17 . 1 1 76 76 TYR C C 76 173.323 173.323 177.034 -3.711 25515 9292 1 17 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.947 -0.400 25515 9293 1 17 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.295 0.458 25515 9294 1 17 . 1 1 76 76 TYR H H 76 8.894 8.894 7.873 1.021 25515 9295 1 17 . 1 1 77 77 ASP N N 77 120.151 120.151 117.439 2.712 25515 9296 1 17 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.241 0.096 25515 9297 1 17 . 1 1 77 77 ASP C C 77 174.321 174.321 177.457 -3.136 25515 9298 1 17 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.876 1.043 25515 9299 1 17 . 1 1 77 77 ASP CB C 77 39.985 39.985 40.904 -0.919 25515 9300 1 17 . 1 1 77 77 ASP H H 77 9.151 9.151 7.918 1.233 25515 9301 1 17 . 1 1 78 78 LYS N N 78 117.659 117.659 118.769 -1.110 25515 9302 1 17 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.056 -0.129 25515 9303 1 17 . 1 1 78 78 LYS C C 78 174.237 174.237 177.290 -3.053 25515 9304 1 17 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.698 -0.285 25515 9305 1 17 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.295 0.347 25515 9306 1 17 . 1 1 78 78 LYS H H 78 7.378 7.378 7.567 -0.189 25515 9307 1 17 . 1 1 79 79 TYR N N 79 115.151 115.151 114.240 0.911 25515 9308 1 17 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.709 -0.088 25515 9309 1 17 . 1 1 79 79 TYR C C 79 175.424 175.424 177.472 -2.048 25515 9310 1 17 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.207 -2.634 25515 9311 1 17 . 1 1 79 79 TYR H H 79 8.505 8.505 8.465 0.040 25515 9312 1 17 . 1 1 80 80 GLY N N 80 110.813 110.813 107.221 3.592 25515 9313 1 17 . 1 1 80 80 GLY C C 80 177.481 177.481 176.092 1.389 25515 9314 1 17 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.592 -1.046 25515 9315 1 17 . 1 1 80 80 GLY H H 80 8.222 8.222 8.493 -0.271 25515 9316 1 17 . 1 1 81 81 SER N N 81 117.578 117.578 118.320 -0.742 25515 9317 1 17 . 1 1 81 81 SER C C 81 174.532 174.532 176.268 -1.736 25515 9318 1 17 . 1 1 81 81 SER CA C 81 61.579 61.579 60.622 0.957 25515 9319 1 17 . 1 1 81 81 SER H H 81 8.883 8.883 7.908 0.975 25515 9320 1 17 . 1 1 82 82 LEU N N 82 123.998 123.998 122.671 1.327 25515 9321 1 17 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.344 -0.073 25515 9322 1 17 . 1 1 82 82 LEU C C 82 173.400 173.400 178.953 -5.553 25515 9323 1 17 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.759 0.173 25515 9324 1 17 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.606 -0.219 25515 9325 1 17 . 1 1 82 82 LEU H H 82 8.920 8.920 8.344 0.576 25515 9326 1 17 . 1 1 83 83 GLY N N 83 105.677 105.677 105.894 -0.217 25515 9327 1 17 . 1 1 83 83 GLY C C 83 177.230 177.230 176.371 0.859 25515 9328 1 17 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.237 0.411 25515 9329 1 17 . 1 1 83 83 GLY H H 83 7.565 7.565 8.799 -1.234 25515 9330 1 17 . 1 1 84 84 LEU N N 84 119.542 119.542 121.472 -1.930 25515 9331 1 17 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.189 -0.130 25515 9332 1 17 . 1 1 84 84 LEU C C 84 173.036 173.036 178.636 -5.600 25515 9333 1 17 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.737 0.696 25515 9334 1 17 . 1 1 84 84 LEU H H 84 7.495 7.495 7.620 -0.125 25515 9335 1 17 . 1 1 85 85 TYR N N 85 121.424 121.424 120.157 1.267 25515 9336 1 17 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.417 -0.159 25515 9337 1 17 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.305 0.665 25515 9338 1 17 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.477 -0.169 25515 9339 1 17 . 1 1 85 85 TYR H H 85 7.894 7.894 7.693 0.201 25515 9340 1 17 . 1 1 86 86 VAL N N 86 120.088 120.088 120.709 -0.621 25515 9341 1 17 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.376 -0.100 25515 9342 1 17 . 1 1 86 86 VAL C C 86 174.300 174.300 176.884 -2.584 25515 9343 1 17 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.185 2.124 25515 9344 1 17 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.951 -0.277 25515 9345 1 17 . 1 1 86 86 VAL H H 86 8.402 8.402 8.195 0.207 25515 9346 1 17 . 1 1 87 87 ALA N N 87 121.800 121.800 121.232 0.568 25515 9347 1 17 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.223 -0.486 25515 9348 1 17 . 1 1 87 87 ALA C C 87 172.312 172.312 178.784 -6.472 25515 9349 1 17 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.073 -0.630 25515 9350 1 17 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.299 0.102 25515 9351 1 17 . 1 1 87 87 ALA H H 87 8.317 8.317 7.865 0.452 25515 9352 1 17 . 1 1 88 88 GLU N N 88 118.012 118.012 116.876 1.136 25515 9353 1 17 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.089 -0.214 25515 9354 1 17 . 1 1 88 88 GLU C C 88 174.071 174.071 178.747 -4.676 25515 9355 1 17 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.683 0.083 25515 9356 1 17 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.639 -0.090 25515 9357 1 17 . 1 1 88 88 GLU H H 88 7.777 7.777 8.005 -0.228 25515 9358 1 17 . 1 1 89 89 GLN N N 89 116.164 116.164 116.936 -0.772 25515 9359 1 17 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.151 -0.440 25515 9360 1 17 . 1 1 89 89 GLN C C 89 174.572 174.572 177.211 -2.639 25515 9361 1 17 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.614 -0.569 25515 9362 1 17 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.124 -0.460 25515 9363 1 17 . 1 1 89 89 GLN H H 89 7.704 7.704 7.632 0.072 25515 9364 1 17 . 1 1 90 90 PHE N N 90 114.734 114.734 119.154 -4.420 25515 9365 1 17 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.612 0.098 25515 9366 1 17 . 1 1 90 90 PHE C C 90 175.715 175.715 175.886 -0.171 25515 9367 1 17 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.398 -1.993 25515 9368 1 17 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.467 -0.264 25515 9369 1 17 . 1 1 90 90 PHE H H 90 8.241 8.241 8.533 -0.292 25515 9370 1 17 . 1 1 91 91 GLY N N 91 111.234 111.234 106.774 4.460 25515 9371 1 17 . 1 1 91 91 GLY C C 91 176.788 176.788 174.191 2.597 25515 9372 1 17 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.777 0.393 25515 9373 1 17 . 1 1 91 91 GLY H H 91 7.668 7.668 7.378 0.290 25515 9374 1 17 . 1 1 92 92 GLU N N 92 123.392 123.392 123.817 -0.425 25515 9375 1 17 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.939 -0.097 25515 9376 1 17 . 1 1 92 92 GLU C C 92 174.798 174.798 177.937 -3.139 25515 9377 1 17 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.891 -0.632 25515 9378 1 17 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.779 -0.161 25515 9379 1 17 . 1 1 92 92 GLU H H 92 8.793 8.793 8.843 -0.050 25515 9380 1 17 . 1 1 93 93 GLU N N 93 118.621 118.621 115.521 3.100 25515 9381 1 17 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.142 0.043 25515 9382 1 17 . 1 1 93 93 GLU C C 93 175.143 175.143 176.991 -1.848 25515 9383 1 17 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.098 -0.213 25515 9384 1 17 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.968 0.098 25515 9385 1 17 . 1 1 93 93 GLU H H 93 9.356 9.356 8.777 0.579 25515 9386 1 17 . 1 1 94 94 ASN N N 94 116.563 116.563 117.902 -1.339 25515 9387 1 17 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.797 0.114 25515 9388 1 17 . 1 1 94 94 ASN C C 94 176.192 176.192 177.585 -1.393 25515 9389 1 17 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.452 -1.141 25515 9390 1 17 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.833 -0.089 25515 9391 1 17 . 1 1 94 94 ASN H H 94 7.881 7.881 7.671 0.210 25515 9392 1 17 . 1 1 95 95 VAL N N 95 119.858 119.858 118.755 1.103 25515 9393 1 17 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.712 0.028 25515 9394 1 17 . 1 1 95 95 VAL C C 95 175.715 175.715 177.218 -1.503 25515 9395 1 17 . 1 1 95 95 VAL CA C 95 65.498 65.498 67.036 -1.538 25515 9396 1 17 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.396 0.570 25515 9397 1 17 . 1 1 95 95 VAL H H 95 7.405 7.405 8.334 -0.929 25515 9398 1 17 . 1 1 96 96 ASN N N 96 116.409 116.409 117.239 -0.830 25515 9399 1 17 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.571 -0.113 25515 9400 1 17 . 1 1 96 96 ASN C C 96 175.322 175.322 176.720 -1.398 25515 9401 1 17 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.647 0.071 25515 9402 1 17 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.297 -0.081 25515 9403 1 17 . 1 1 96 96 ASN H H 96 8.356 8.356 8.195 0.161 25515 9404 1 17 . 1 1 97 97 THR N N 97 111.266 111.266 114.210 -2.944 25515 9405 1 17 . 1 1 97 97 THR HA H 97 3.993 3.993 4.022 -0.029 25515 9406 1 17 . 1 1 97 97 THR C C 97 177.418 177.418 175.449 1.969 25515 9407 1 17 . 1 1 97 97 THR CA C 97 63.604 63.604 64.876 -1.272 25515 9408 1 17 . 1 1 97 97 THR CB C 97 69.162 69.162 68.696 0.466 25515 9409 1 17 . 1 1 97 97 THR H H 97 7.575 7.575 8.069 -0.494 25515 9410 1 17 . 1 1 98 98 TYR N N 98 119.963 119.963 117.651 2.312 25515 9411 1 17 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.351 -0.029 25515 9412 1 17 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.528 -0.330 25515 9413 1 17 . 1 1 98 98 TYR CB C 98 39.244 39.244 38.679 0.565 25515 9414 1 17 . 1 1 98 98 TYR H H 98 7.480 7.480 7.710 -0.230 25515 9415 1 17 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.598 -0.038 25515 9416 1 17 . 1 1 99 99 PHE C C 99 177.317 177.317 175.116 2.201 25515 9417 1 17 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.552 0.441 25515 9418 1 17 . 1 1 99 99 PHE CB C 99 40.642 40.642 41.591 -0.949 25515 9419 1 18 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.616 -0.325 25515 9420 1 18 . 1 1 2 2 ALA C C 2 175.019 175.019 176.783 -1.764 25515 9421 1 18 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.199 1.372 25515 9422 1 18 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.905 -0.786 25515 9423 1 18 . 1 1 3 3 ASP N N 3 120.192 120.192 117.500 2.692 25515 9424 1 18 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.475 0.010 25515 9425 1 18 . 1 1 3 3 ASP C C 3 175.549 175.549 176.002 -0.453 25515 9426 1 18 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.617 -0.365 25515 9427 1 18 . 1 1 3 3 ASP CB C 3 41.232 41.232 42.140 -0.908 25515 9428 1 18 . 1 1 3 3 ASP H H 3 8.336 8.336 8.251 0.085 25515 9429 1 18 . 1 1 4 4 GLN N N 4 121.286 121.286 121.601 -0.315 25515 9430 1 18 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.250 -0.048 25515 9431 1 18 . 1 1 4 4 GLN C C 4 175.579 175.579 175.968 -0.389 25515 9432 1 18 . 1 1 4 4 GLN CA C 4 56.326 56.326 56.555 -0.229 25515 9433 1 18 . 1 1 4 4 GLN CB C 4 29.117 29.117 28.842 0.275 25515 9434 1 18 . 1 1 4 4 GLN H H 4 8.404 8.404 8.577 -0.173 25515 9435 1 18 . 1 1 5 5 ARG N N 5 121.138 121.138 123.275 -2.137 25515 9436 1 18 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.361 -0.197 25515 9437 1 18 . 1 1 5 5 ARG C C 5 175.327 175.327 176.272 -0.945 25515 9438 1 18 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.161 0.615 25515 9439 1 18 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.881 -0.370 25515 9440 1 18 . 1 1 5 5 ARG H H 5 8.281 8.281 8.457 -0.176 25515 9441 1 18 . 1 1 6 6 GLN N N 6 120.348 120.348 116.602 3.746 25515 9442 1 18 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.607 -0.418 25515 9443 1 18 . 1 1 6 6 GLN C C 6 175.838 175.838 175.251 0.587 25515 9444 1 18 . 1 1 6 6 GLN CA C 6 56.208 56.208 54.566 1.642 25515 9445 1 18 . 1 1 6 6 GLN CB C 6 29.131 29.131 32.153 -3.022 25515 9446 1 18 . 1 1 6 6 GLN H H 6 8.253 8.253 7.541 0.712 25515 9447 1 18 . 1 1 7 7 ARG N N 7 121.761 121.761 123.479 -1.718 25515 9448 1 18 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.048 0.193 25515 9449 1 18 . 1 1 7 7 ARG C C 7 175.708 175.708 178.099 -2.391 25515 9450 1 18 . 1 1 7 7 ARG CA C 7 56.336 56.336 59.341 -3.005 25515 9451 1 18 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.009 0.762 25515 9452 1 18 . 1 1 7 7 ARG H H 7 8.211 8.211 8.656 -0.445 25515 9453 1 18 . 1 1 8 8 SER N N 8 116.450 116.450 113.260 3.190 25515 9454 1 18 . 1 1 8 8 SER HA H 8 4.384 4.384 4.374 0.010 25515 9455 1 18 . 1 1 8 8 SER C C 8 177.569 177.569 176.392 1.177 25515 9456 1 18 . 1 1 8 8 SER CA C 8 58.298 58.298 60.322 -2.023 25515 9457 1 18 . 1 1 8 8 SER CB C 8 63.786 63.786 62.413 1.373 25515 9458 1 18 . 1 1 8 8 SER H H 8 8.220 8.220 8.611 -0.391 25515 9459 1 18 . 1 1 9 9 LEU N N 9 123.709 123.709 118.219 5.490 25515 9460 1 18 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.448 -0.094 25515 9461 1 18 . 1 1 9 9 LEU C C 9 174.915 174.915 177.592 -2.677 25515 9462 1 18 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.643 -1.667 25515 9463 1 18 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.356 1.322 25515 9464 1 18 . 1 1 9 9 LEU H H 9 8.091 8.091 7.360 0.731 25515 9465 1 18 . 1 1 10 10 SER N N 10 115.478 115.478 114.382 1.096 25515 9466 1 18 . 1 1 10 10 SER HA H 10 4.561 4.561 4.484 0.077 25515 9467 1 18 . 1 1 10 10 SER C C 10 177.096 177.096 174.888 2.208 25515 9468 1 18 . 1 1 10 10 SER CA C 10 58.016 58.016 60.274 -2.258 25515 9469 1 18 . 1 1 10 10 SER CB C 10 64.062 64.062 64.299 -0.237 25515 9470 1 18 . 1 1 10 10 SER H H 10 8.187 8.187 7.594 0.593 25515 9471 1 18 . 1 1 11 11 THR N N 11 114.393 114.393 116.448 -2.055 25515 9472 1 18 . 1 1 11 11 THR HA H 11 4.516 4.516 4.178 0.338 25515 9473 1 18 . 1 1 11 11 THR C C 11 177.232 177.232 175.148 2.084 25515 9474 1 18 . 1 1 11 11 THR CA C 11 61.740 61.740 62.554 -0.814 25515 9475 1 18 . 1 1 11 11 THR CB C 11 69.478 69.478 68.629 0.849 25515 9476 1 18 . 1 1 11 11 THR H H 11 8.180 8.180 7.675 0.505 25515 9477 1 18 . 1 1 12 12 SER N N 12 117.125 117.125 122.520 -5.395 25515 9478 1 18 . 1 1 12 12 SER HA H 12 4.391 4.391 4.210 0.181 25515 9479 1 18 . 1 1 12 12 SER C C 12 176.856 176.856 175.585 1.271 25515 9480 1 18 . 1 1 12 12 SER CA C 12 58.537 58.537 59.199 -0.662 25515 9481 1 18 . 1 1 12 12 SER CB C 12 63.915 63.915 63.013 0.902 25515 9482 1 18 . 1 1 12 12 SER H H 12 8.171 8.171 8.631 -0.460 25515 9483 1 18 . 1 1 13 13 GLY N N 13 111.544 111.544 108.881 2.663 25515 9484 1 18 . 1 1 13 13 GLY C C 13 178.243 178.243 173.619 4.624 25515 9485 1 18 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.687 0.793 25515 9486 1 18 . 1 1 13 13 GLY H H 13 8.381 8.381 8.172 0.209 25515 9487 1 18 . 1 1 14 14 GLU N N 14 119.223 119.223 120.284 -1.061 25515 9488 1 18 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.717 -0.277 25515 9489 1 18 . 1 1 14 14 GLU C C 14 174.876 174.876 175.861 -0.985 25515 9490 1 18 . 1 1 14 14 GLU CA C 14 56.424 56.424 56.083 0.341 25515 9491 1 18 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.295 -0.317 25515 9492 1 18 . 1 1 14 14 GLU H H 14 8.149 8.149 7.631 0.518 25515 9493 1 18 . 1 1 15 15 SER N N 15 117.752 117.752 117.635 0.117 25515 9494 1 18 . 1 1 15 15 SER H H 15 8.437 8.437 9.362 -0.925 25515 9495 1 18 . 1 1 16 16 LEU N N 16 121.072 121.072 122.449 -1.377 25515 9496 1 18 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.103 -0.242 25515 9497 1 18 . 1 1 16 16 LEU C C 16 174.423 174.423 178.911 -4.488 25515 9498 1 18 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.462 -0.037 25515 9499 1 18 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.187 0.489 25515 9500 1 18 . 1 1 16 16 LEU H H 16 8.233 8.233 8.305 -0.072 25515 9501 1 18 . 1 1 17 17 TYR N N 17 111.961 111.961 115.998 -4.037 25515 9502 1 18 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.063 -0.401 25515 9503 1 18 . 1 1 17 17 TYR C C 17 173.256 173.256 178.003 -4.747 25515 9504 1 18 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.222 -0.356 25515 9505 1 18 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.608 -0.201 25515 9506 1 18 . 1 1 17 17 TYR H H 17 6.929 6.929 7.878 -0.949 25515 9507 1 18 . 1 1 18 18 HIS N N 18 119.254 119.254 115.531 3.723 25515 9508 1 18 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.371 0.068 25515 9509 1 18 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.869 0.045 25515 9510 1 18 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.112 -0.497 25515 9511 1 18 . 1 1 18 18 HIS H H 18 7.672 7.672 8.273 -0.601 25515 9512 1 18 . 1 1 19 19 VAL N N 19 120.746 120.746 117.167 3.579 25515 9513 1 18 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.902 -0.197 25515 9514 1 18 . 1 1 19 19 VAL C C 19 175.643 175.643 176.465 -0.822 25515 9515 1 18 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.366 0.167 25515 9516 1 18 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.565 -0.100 25515 9517 1 18 . 1 1 19 19 VAL H H 19 7.883 7.883 7.643 0.240 25515 9518 1 18 . 1 1 20 20 LEU N N 20 114.576 114.576 117.374 -2.798 25515 9519 1 18 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.326 0.035 25515 9520 1 18 . 1 1 20 20 LEU C C 20 175.746 175.746 176.986 -1.240 25515 9521 1 18 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.731 -1.450 25515 9522 1 18 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.226 0.674 25515 9523 1 18 . 1 1 20 20 LEU H H 20 6.626 6.626 7.175 -0.549 25515 9524 1 18 . 1 1 21 21 GLY N N 21 109.239 109.239 106.908 2.331 25515 9525 1 18 . 1 1 21 21 GLY C C 21 177.637 177.637 174.599 3.038 25515 9526 1 18 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.853 0.430 25515 9527 1 18 . 1 1 21 21 GLY H H 21 7.991 7.991 7.651 0.340 25515 9528 1 18 . 1 1 22 22 LEU N N 22 119.495 119.495 116.583 2.912 25515 9529 1 18 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.961 -0.194 25515 9530 1 18 . 1 1 22 22 LEU C C 22 177.306 177.306 175.770 1.536 25515 9531 1 18 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.094 -0.212 25515 9532 1 18 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.509 2.398 25515 9533 1 18 . 1 1 22 22 LEU H H 22 7.765 7.765 7.520 0.245 25515 9534 1 18 . 1 1 23 23 ASP N N 23 118.518 118.518 118.095 0.423 25515 9535 1 18 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.776 -0.187 25515 9536 1 18 . 1 1 23 23 ASP C C 23 176.597 176.597 177.173 -0.576 25515 9537 1 18 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.652 -0.621 25515 9538 1 18 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.698 0.783 25515 9539 1 18 . 1 1 23 23 ASP H H 23 7.977 7.977 8.379 -0.402 25515 9540 1 18 . 1 1 24 24 LYS N N 24 115.499 115.499 119.067 -3.568 25515 9541 1 18 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.638 -1.486 25515 9542 1 18 . 1 1 24 24 LYS C C 24 176.231 176.231 175.926 0.305 25515 9543 1 18 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.245 -0.178 25515 9544 1 18 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.804 0.558 25515 9545 1 18 . 1 1 24 24 LYS H H 24 7.811 7.811 8.427 -0.616 25515 9546 1 18 . 1 1 25 25 ASN N N 25 115.622 115.622 115.905 -0.283 25515 9547 1 18 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.695 -0.170 25515 9548 1 18 . 1 1 25 25 ASN C C 25 176.698 176.698 175.068 1.630 25515 9549 1 18 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.646 0.227 25515 9550 1 18 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.204 -1.130 25515 9551 1 18 . 1 1 25 25 ASN H H 25 7.817 7.817 7.969 -0.152 25515 9552 1 18 . 1 1 26 26 ALA N N 26 122.970 122.970 124.764 -1.794 25515 9553 1 18 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.407 -0.048 25515 9554 1 18 . 1 1 26 26 ALA C C 26 173.847 173.847 176.748 -2.901 25515 9555 1 18 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.632 0.285 25515 9556 1 18 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.036 0.931 25515 9557 1 18 . 1 1 26 26 ALA H H 26 7.646 7.646 7.372 0.274 25515 9558 1 18 . 1 1 27 27 THR N N 27 113.252 113.252 113.547 -0.295 25515 9559 1 18 . 1 1 27 27 THR HA H 27 4.657 4.657 4.450 0.207 25515 9560 1 18 . 1 1 27 27 THR C C 27 175.986 175.986 176.084 -0.098 25515 9561 1 18 . 1 1 27 27 THR CA C 27 60.427 60.427 60.589 -0.162 25515 9562 1 18 . 1 1 27 27 THR CB C 27 71.702 71.702 71.189 0.513 25515 9563 1 18 . 1 1 27 27 THR H H 27 9.089 9.089 8.222 0.867 25515 9564 1 18 . 1 1 28 28 SER N N 28 115.961 115.961 118.502 -2.541 25515 9565 1 18 . 1 1 28 28 SER HA H 28 3.930 3.930 4.045 -0.115 25515 9566 1 18 . 1 1 28 28 SER C C 28 175.440 175.440 176.003 -0.563 25515 9567 1 18 . 1 1 28 28 SER CA C 28 62.515 62.515 62.911 -0.396 25515 9568 1 18 . 1 1 28 28 SER CB C 28 62.713 62.713 63.114 -0.401 25515 9569 1 18 . 1 1 28 28 SER H H 28 9.095 9.095 8.777 0.318 25515 9570 1 18 . 1 1 29 29 ASP N N 29 119.797 119.797 120.877 -1.080 25515 9571 1 18 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.436 -0.033 25515 9572 1 18 . 1 1 29 29 ASP C C 29 173.862 173.862 177.927 -4.065 25515 9573 1 18 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.259 0.524 25515 9574 1 18 . 1 1 29 29 ASP CB C 29 41.051 41.051 41.038 0.013 25515 9575 1 18 . 1 1 29 29 ASP H H 29 8.122 8.122 8.174 -0.052 25515 9576 1 18 . 1 1 30 30 ASP N N 30 120.847 120.847 119.438 1.409 25515 9577 1 18 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.576 -0.229 25515 9578 1 18 . 1 1 30 30 ASP C C 30 172.627 172.627 179.032 -6.405 25515 9579 1 18 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.004 0.685 25515 9580 1 18 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.047 -0.065 25515 9581 1 18 . 1 1 30 30 ASP H H 30 7.851 7.851 7.724 0.127 25515 9582 1 18 . 1 1 31 31 ILE N N 31 121.776 121.776 120.895 0.881 25515 9583 1 18 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.806 -0.290 25515 9584 1 18 . 1 1 31 31 ILE C C 31 174.709 174.709 178.298 -3.589 25515 9585 1 18 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.058 0.428 25515 9586 1 18 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.983 0.258 25515 9587 1 18 . 1 1 31 31 ILE H H 31 8.122 8.122 8.183 -0.061 25515 9588 1 18 . 1 1 32 32 LYS N N 32 119.510 119.510 120.391 -0.881 25515 9589 1 18 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.490 -0.413 25515 9590 1 18 . 1 1 32 32 LYS C C 32 172.959 172.959 178.836 -5.877 25515 9591 1 18 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.494 1.341 25515 9592 1 18 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.754 -0.250 25515 9593 1 18 . 1 1 32 32 LYS H H 32 8.172 8.172 7.988 0.184 25515 9594 1 18 . 1 1 33 33 LYS N N 33 119.042 119.042 120.550 -1.508 25515 9595 1 18 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.012 -0.044 25515 9596 1 18 . 1 1 33 33 LYS C C 33 172.323 172.323 179.121 -6.798 25515 9597 1 18 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.906 0.101 25515 9598 1 18 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.433 0.280 25515 9599 1 18 . 1 1 33 33 LYS H H 33 8.342 8.342 8.499 -0.157 25515 9600 1 18 . 1 1 34 34 SER N N 34 115.060 115.060 115.674 -0.614 25515 9601 1 18 . 1 1 34 34 SER HA H 34 4.260 4.260 4.140 0.120 25515 9602 1 18 . 1 1 34 34 SER C C 34 175.503 175.503 176.096 -0.593 25515 9603 1 18 . 1 1 34 34 SER CA C 34 61.734 61.734 62.101 -0.367 25515 9604 1 18 . 1 1 34 34 SER CB C 34 63.088 63.088 62.932 0.156 25515 9605 1 18 . 1 1 34 34 SER H H 34 8.161 8.161 8.553 -0.392 25515 9606 1 18 . 1 1 35 35 TYR N N 35 119.241 119.241 125.086 -5.845 25515 9607 1 18 . 1 1 35 35 TYR HA H 35 3.874 3.874 3.985 -0.111 25515 9608 1 18 . 1 1 35 35 TYR C C 35 176.352 176.352 177.185 -0.833 25515 9609 1 18 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.484 0.385 25515 9610 1 18 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.080 0.710 25515 9611 1 18 . 1 1 35 35 TYR H H 35 8.499 8.499 7.682 0.817 25515 9612 1 18 . 1 1 36 36 ARG N N 36 116.674 116.674 117.561 -0.887 25515 9613 1 18 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.530 -0.077 25515 9614 1 18 . 1 1 36 36 ARG C C 36 173.135 173.135 178.644 -5.509 25515 9615 1 18 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.666 0.944 25515 9616 1 18 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.244 0.635 25515 9617 1 18 . 1 1 36 36 ARG H H 36 7.967 7.967 7.941 0.026 25515 9618 1 18 . 1 1 37 37 LYS N N 37 116.974 116.974 119.032 -2.058 25515 9619 1 18 . 1 1 37 37 LYS HA H 37 3.970 3.970 4.001 -0.031 25515 9620 1 18 . 1 1 37 37 LYS C C 37 172.489 172.489 179.699 -7.210 25515 9621 1 18 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.352 0.025 25515 9622 1 18 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.270 0.487 25515 9623 1 18 . 1 1 37 37 LYS H H 37 7.275 7.275 8.077 -0.802 25515 9624 1 18 . 1 1 38 38 LEU N N 38 120.978 120.978 118.651 2.327 25515 9625 1 18 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.334 -0.311 25515 9626 1 18 . 1 1 38 38 LEU C C 38 173.557 173.557 178.415 -4.858 25515 9627 1 18 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.599 0.805 25515 9628 1 18 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.192 0.176 25515 9629 1 18 . 1 1 38 38 LEU H H 38 8.268 8.268 8.015 0.253 25515 9630 1 18 . 1 1 39 39 ALA N N 39 122.700 122.700 123.156 -0.456 25515 9631 1 18 . 1 1 39 39 ALA HA H 39 3.885 3.885 4.016 -0.131 25515 9632 1 18 . 1 1 39 39 ALA C C 39 172.721 172.721 179.280 -6.559 25515 9633 1 18 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.508 -0.068 25515 9634 1 18 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.241 -1.291 25515 9635 1 18 . 1 1 39 39 ALA H H 39 9.043 9.043 8.294 0.749 25515 9636 1 18 . 1 1 40 40 LEU N N 40 114.462 114.462 114.813 -0.351 25515 9637 1 18 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.099 -0.067 25515 9638 1 18 . 1 1 40 40 LEU C C 40 173.110 173.110 179.265 -6.155 25515 9639 1 18 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.862 0.447 25515 9640 1 18 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.081 1.953 25515 9641 1 18 . 1 1 40 40 LEU H H 40 6.862 6.862 7.576 -0.714 25515 9642 1 18 . 1 1 41 41 LYS N N 41 118.126 118.126 121.918 -3.792 25515 9643 1 18 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.856 -0.014 25515 9644 1 18 . 1 1 41 41 LYS C C 41 173.695 173.695 177.870 -4.175 25515 9645 1 18 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.099 -0.357 25515 9646 1 18 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.413 0.574 25515 9647 1 18 . 1 1 41 41 LYS H H 41 7.135 7.135 7.762 -0.627 25515 9648 1 18 . 1 1 42 42 TYR N N 42 113.902 113.902 114.330 -0.428 25515 9649 1 18 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.723 -0.233 25515 9650 1 18 . 1 1 42 42 TYR C C 42 178.884 178.884 174.250 4.634 25515 9651 1 18 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.744 1.269 25515 9652 1 18 . 1 1 42 42 TYR CB C 42 38.510 38.510 37.943 0.567 25515 9653 1 18 . 1 1 42 42 TYR H H 42 7.756 7.756 8.141 -0.385 25515 9654 1 18 . 1 1 43 43 HIS N N 43 120.909 120.909 122.585 -1.676 25515 9655 1 18 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.437 -0.965 25515 9656 1 18 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.181 0.718 25515 9657 1 18 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.671 -0.546 25515 9658 1 18 . 1 1 43 43 HIS H H 43 7.134 7.134 8.079 -0.945 25515 9659 1 18 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.025 -0.027 25515 9660 1 18 . 1 1 44 44 PRO C C 44 172.774 172.774 177.563 -4.789 25515 9661 1 18 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.318 0.287 25515 9662 1 18 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.501 0.109 25515 9663 1 18 . 1 1 45 45 ASP N N 45 121.379 121.379 114.717 6.662 25515 9664 1 18 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.538 -0.181 25515 9665 1 18 . 1 1 45 45 ASP C C 45 173.968 173.968 177.132 -3.164 25515 9666 1 18 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.459 2.312 25515 9667 1 18 . 1 1 45 45 ASP CB C 45 40.123 40.123 41.247 -1.124 25515 9668 1 18 . 1 1 45 45 ASP H H 45 10.727 10.727 8.269 2.458 25515 9669 1 18 . 1 1 46 46 LYS N N 46 115.902 115.902 118.290 -2.388 25515 9670 1 18 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.118 0.240 25515 9671 1 18 . 1 1 46 46 LYS C C 46 176.450 176.450 176.204 0.246 25515 9672 1 18 . 1 1 46 46 LYS CA C 46 54.774 54.774 57.581 -2.807 25515 9673 1 18 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.561 0.628 25515 9674 1 18 . 1 1 46 46 LYS H H 46 7.475 7.475 8.255 -0.780 25515 9675 1 18 . 1 1 47 47 ASN N N 47 117.709 117.709 117.088 0.621 25515 9676 1 18 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.148 0.002 25515 9677 1 18 . 1 1 47 47 ASN C C 47 170.657 170.657 173.029 -2.372 25515 9678 1 18 . 1 1 47 47 ASN CA C 47 51.540 51.540 50.202 1.338 25515 9679 1 18 . 1 1 47 47 ASN CB C 47 41.556 41.556 38.190 3.366 25515 9680 1 18 . 1 1 47 47 ASN H H 47 7.410 7.410 7.471 -0.061 25515 9681 1 18 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.420 -0.054 25515 9682 1 18 . 1 1 48 48 PRO C C 48 174.739 174.739 176.562 -1.823 25515 9683 1 18 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.749 1.363 25515 9684 1 18 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.577 -1.053 25515 9685 1 18 . 1 1 49 49 ASP N N 49 117.619 117.619 116.937 0.682 25515 9686 1 18 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.482 -0.105 25515 9687 1 18 . 1 1 49 49 ASP C C 49 177.335 177.335 175.981 1.354 25515 9688 1 18 . 1 1 49 49 ASP CA C 49 54.585 54.585 54.901 -0.316 25515 9689 1 18 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.107 -0.853 25515 9690 1 18 . 1 1 49 49 ASP H H 49 8.679 8.679 8.426 0.253 25515 9691 1 18 . 1 1 50 50 ASN N N 50 114.537 114.537 118.344 -3.807 25515 9692 1 18 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.647 0.553 25515 9693 1 18 . 1 1 50 50 ASN C C 50 178.245 178.245 174.884 3.361 25515 9694 1 18 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.240 -2.105 25515 9695 1 18 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.099 1.477 25515 9696 1 18 . 1 1 50 50 ASN H H 50 7.341 7.341 7.979 -0.638 25515 9697 1 18 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.526 -0.162 25515 9698 1 18 . 1 1 51 51 PRO C C 51 173.714 173.714 177.570 -3.856 25515 9699 1 18 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.114 1.504 25515 9700 1 18 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.881 0.220 25515 9701 1 18 . 1 1 52 52 GLU N N 52 118.597 118.597 121.291 -2.694 25515 9702 1 18 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.103 0.085 25515 9703 1 18 . 1 1 52 52 GLU C C 52 173.216 173.216 177.662 -4.446 25515 9704 1 18 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.316 -1.366 25515 9705 1 18 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.422 -0.223 25515 9706 1 18 . 1 1 52 52 GLU H H 52 8.048 8.048 8.749 -0.701 25515 9707 1 18 . 1 1 53 53 ALA N N 53 122.149 122.149 120.922 1.227 25515 9708 1 18 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.469 -0.495 25515 9709 1 18 . 1 1 53 53 ALA C C 53 173.485 173.485 179.356 -5.871 25515 9710 1 18 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.713 0.358 25515 9711 1 18 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.303 -0.526 25515 9712 1 18 . 1 1 53 53 ALA H H 53 7.606 7.606 8.356 -0.750 25515 9713 1 18 . 1 1 54 54 ALA N N 54 119.475 119.475 121.789 -2.314 25515 9714 1 18 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.114 0.113 25515 9715 1 18 . 1 1 54 54 ALA C C 54 171.125 171.125 179.084 -7.959 25515 9716 1 18 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.556 0.615 25515 9717 1 18 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.549 -0.702 25515 9718 1 18 . 1 1 54 54 ALA H H 54 7.680 7.680 8.275 -0.595 25515 9719 1 18 . 1 1 55 55 ASP N N 55 120.134 120.134 119.241 0.893 25515 9720 1 18 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.360 0.061 25515 9721 1 18 . 1 1 55 55 ASP C C 55 173.088 173.088 178.571 -5.483 25515 9722 1 18 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.836 -0.430 25515 9723 1 18 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.988 -0.659 25515 9724 1 18 . 1 1 55 55 ASP H H 55 7.983 7.983 8.354 -0.371 25515 9725 1 18 . 1 1 56 56 LYS N N 56 120.915 120.915 119.466 1.449 25515 9726 1 18 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.859 0.051 25515 9727 1 18 . 1 1 56 56 LYS C C 56 173.210 173.210 178.788 -5.578 25515 9728 1 18 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.721 -0.240 25515 9729 1 18 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.681 -0.773 25515 9730 1 18 . 1 1 56 56 LYS H H 56 7.758 7.758 7.455 0.303 25515 9731 1 18 . 1 1 57 57 PHE N N 57 120.024 120.024 120.157 -0.133 25515 9732 1 18 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.055 -0.050 25515 9733 1 18 . 1 1 57 57 PHE C C 57 174.430 174.430 177.154 -2.724 25515 9734 1 18 . 1 1 57 57 PHE CA C 57 61.540 61.540 61.921 -0.381 25515 9735 1 18 . 1 1 57 57 PHE CB C 57 39.088 39.088 39.030 0.058 25515 9736 1 18 . 1 1 57 57 PHE H H 57 8.861 8.861 8.846 0.015 25515 9737 1 18 . 1 1 58 58 LYS N N 58 119.306 119.306 119.894 -0.588 25515 9738 1 18 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.882 0.071 25515 9739 1 18 . 1 1 58 58 LYS C C 58 172.875 172.875 178.574 -5.699 25515 9740 1 18 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.164 -0.303 25515 9741 1 18 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.376 -0.067 25515 9742 1 18 . 1 1 58 58 LYS H H 58 7.846 7.846 8.416 -0.570 25515 9743 1 18 . 1 1 59 59 GLU N N 59 119.732 119.732 117.742 1.990 25515 9744 1 18 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.080 -0.031 25515 9745 1 18 . 1 1 59 59 GLU C C 59 171.935 171.935 179.083 -7.148 25515 9746 1 18 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.019 0.454 25515 9747 1 18 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.247 0.580 25515 9748 1 18 . 1 1 59 59 GLU H H 59 7.732 7.732 7.897 -0.165 25515 9749 1 18 . 1 1 60 60 ILE N N 60 119.074 119.074 121.719 -2.645 25515 9750 1 18 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.581 0.107 25515 9751 1 18 . 1 1 60 60 ILE C C 60 174.424 174.424 178.031 -3.607 25515 9752 1 18 . 1 1 60 60 ILE CA C 60 65.274 65.274 65.882 -0.608 25515 9753 1 18 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.568 0.879 25515 9754 1 18 . 1 1 60 60 ILE H H 60 8.429 8.429 8.253 0.176 25515 9755 1 18 . 1 1 61 61 ASN N N 61 120.038 120.038 117.371 2.667 25515 9756 1 18 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.281 0.020 25515 9757 1 18 . 1 1 61 61 ASN C C 61 174.271 174.271 177.528 -3.257 25515 9758 1 18 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.916 0.639 25515 9759 1 18 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.323 -0.040 25515 9760 1 18 . 1 1 61 61 ASN H H 61 8.025 8.025 8.428 -0.403 25515 9761 1 18 . 1 1 62 62 ASN N N 62 119.502 119.502 119.114 0.388 25515 9762 1 18 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.371 -0.061 25515 9763 1 18 . 1 1 62 62 ASN C C 62 176.042 176.042 177.050 -1.008 25515 9764 1 18 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.776 -0.228 25515 9765 1 18 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.500 0.221 25515 9766 1 18 . 1 1 62 62 ASN H H 62 8.042 8.042 7.938 0.104 25515 9767 1 18 . 1 1 63 63 ALA N N 63 119.769 119.769 122.602 -2.833 25515 9768 1 18 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.792 -0.106 25515 9769 1 18 . 1 1 63 63 ALA C C 63 173.564 173.564 179.145 -5.581 25515 9770 1 18 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.856 0.684 25515 9771 1 18 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.843 0.663 25515 9772 1 18 . 1 1 63 63 ALA H H 63 7.944 7.944 8.471 -0.527 25515 9773 1 18 . 1 1 64 64 HIS N N 64 115.292 115.292 118.529 -3.237 25515 9774 1 18 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.117 -0.590 25515 9775 1 18 . 1 1 64 64 HIS CA C 64 60.384 60.384 58.908 1.476 25515 9776 1 18 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.634 0.301 25515 9777 1 18 . 1 1 64 64 HIS H H 64 8.055 8.055 8.404 -0.349 25515 9778 1 18 . 1 1 65 65 ALA N N 65 122.093 122.093 121.122 0.971 25515 9779 1 18 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.926 -0.420 25515 9780 1 18 . 1 1 65 65 ALA C C 65 172.454 172.454 179.207 -6.753 25515 9781 1 18 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.706 1.285 25515 9782 1 18 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.564 -1.426 25515 9783 1 18 . 1 1 65 65 ALA H H 65 7.944 7.944 7.553 0.391 25515 9784 1 18 . 1 1 66 66 ILE N N 66 115.954 115.954 118.923 -2.969 25515 9785 1 18 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.618 -0.160 25515 9786 1 18 . 1 1 66 66 ILE C C 66 175.394 175.394 178.593 -3.199 25515 9787 1 18 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.482 0.126 25515 9788 1 18 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.291 1.698 25515 9789 1 18 . 1 1 66 66 ILE H H 66 7.358 7.358 7.973 -0.615 25515 9790 1 18 . 1 1 67 67 LEU N N 67 111.268 111.268 117.045 -5.777 25515 9791 1 18 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.029 -0.354 25515 9792 1 18 . 1 1 67 67 LEU C C 67 174.490 174.490 178.836 -4.346 25515 9793 1 18 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.950 -0.383 25515 9794 1 18 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.062 1.992 25515 9795 1 18 . 1 1 67 67 LEU H H 67 7.743 7.743 7.831 -0.088 25515 9796 1 18 . 1 1 68 68 THR N N 68 103.399 103.399 109.388 -5.989 25515 9797 1 18 . 1 1 68 68 THR HA H 68 4.023 4.023 4.175 -0.152 25515 9798 1 18 . 1 1 68 68 THR C C 68 178.796 178.796 173.658 5.138 25515 9799 1 18 . 1 1 68 68 THR CA C 68 61.672 61.672 61.989 -0.317 25515 9800 1 18 . 1 1 68 68 THR CB C 68 69.052 69.052 68.096 0.956 25515 9801 1 18 . 1 1 68 68 THR H H 68 7.104 7.104 7.335 -0.231 25515 9802 1 18 . 1 1 69 69 ASP N N 69 125.057 125.057 121.796 3.261 25515 9803 1 18 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.665 0.036 25515 9804 1 18 . 1 1 69 69 ASP C C 69 177.204 177.204 176.212 0.992 25515 9805 1 18 . 1 1 69 69 ASP CA C 69 52.759 52.759 53.079 -0.320 25515 9806 1 18 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.285 -0.534 25515 9807 1 18 . 1 1 69 69 ASP H H 69 7.076 7.076 7.265 -0.189 25515 9808 1 18 . 1 1 70 70 ALA N N 70 128.178 128.178 127.617 0.561 25515 9809 1 18 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.110 -0.213 25515 9810 1 18 . 1 1 70 70 ALA C C 70 171.909 171.909 178.939 -7.030 25515 9811 1 18 . 1 1 70 70 ALA CA C 70 55.826 55.826 55.022 0.805 25515 9812 1 18 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.835 -0.361 25515 9813 1 18 . 1 1 70 70 ALA H H 70 8.761 8.761 8.652 0.109 25515 9814 1 18 . 1 1 71 71 THR N N 71 113.629 113.629 115.699 -2.070 25515 9815 1 18 . 1 1 71 71 THR HA H 71 3.981 3.981 4.128 -0.147 25515 9816 1 18 . 1 1 71 71 THR C C 71 175.038 175.038 176.638 -1.600 25515 9817 1 18 . 1 1 71 71 THR CA C 71 66.164 66.164 66.580 -0.416 25515 9818 1 18 . 1 1 71 71 THR CB C 71 68.319 68.319 68.793 -0.474 25515 9819 1 18 . 1 1 71 71 THR H H 71 7.957 7.957 8.023 -0.066 25515 9820 1 18 . 1 1 72 72 LYS N N 72 122.501 122.501 120.970 1.531 25515 9821 1 18 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.055 -0.245 25515 9822 1 18 . 1 1 72 72 LYS C C 72 173.814 173.814 178.803 -4.989 25515 9823 1 18 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.420 0.871 25515 9824 1 18 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.264 0.542 25515 9825 1 18 . 1 1 72 72 LYS H H 72 8.309 8.309 9.087 -0.778 25515 9826 1 18 . 1 1 73 73 ARG N N 73 120.595 120.595 118.383 2.212 25515 9827 1 18 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.136 -0.533 25515 9828 1 18 . 1 1 73 73 ARG C C 73 174.477 174.477 177.950 -3.473 25515 9829 1 18 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.642 2.187 25515 9830 1 18 . 1 1 73 73 ARG H H 73 9.258 9.258 7.648 1.610 25515 9831 1 18 . 1 1 74 74 ASN N N 74 115.425 115.425 119.213 -3.788 25515 9832 1 18 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.484 -0.053 25515 9833 1 18 . 1 1 74 74 ASN C C 74 174.296 174.296 178.027 -3.731 25515 9834 1 18 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.697 0.013 25515 9835 1 18 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.420 0.310 25515 9836 1 18 . 1 1 74 74 ASN H H 74 7.534 7.534 7.930 -0.396 25515 9837 1 18 . 1 1 75 75 ILE N N 75 119.020 119.020 118.483 0.537 25515 9838 1 18 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.828 -0.195 25515 9839 1 18 . 1 1 75 75 ILE C C 75 174.667 174.667 177.186 -2.519 25515 9840 1 18 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.942 1.563 25515 9841 1 18 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.426 1.799 25515 9842 1 18 . 1 1 75 75 ILE H H 75 7.656 7.656 8.383 -0.727 25515 9843 1 18 . 1 1 76 76 TYR N N 76 121.913 121.913 121.960 -0.047 25515 9844 1 18 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.071 -0.056 25515 9845 1 18 . 1 1 76 76 TYR C C 76 173.323 173.323 176.840 -3.517 25515 9846 1 18 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.060 -0.513 25515 9847 1 18 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.217 0.536 25515 9848 1 18 . 1 1 76 76 TYR H H 76 8.894 8.894 7.923 0.971 25515 9849 1 18 . 1 1 77 77 ASP N N 77 120.151 120.151 116.880 3.271 25515 9850 1 18 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.339 -0.002 25515 9851 1 18 . 1 1 77 77 ASP C C 77 174.321 174.321 177.518 -3.197 25515 9852 1 18 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.499 1.420 25515 9853 1 18 . 1 1 77 77 ASP CB C 77 39.985 39.985 40.901 -0.916 25515 9854 1 18 . 1 1 77 77 ASP H H 77 9.151 9.151 7.759 1.392 25515 9855 1 18 . 1 1 78 78 LYS N N 78 117.659 117.659 118.629 -0.970 25515 9856 1 18 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.955 -0.028 25515 9857 1 18 . 1 1 78 78 LYS C C 78 174.237 174.237 177.362 -3.125 25515 9858 1 18 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.115 0.298 25515 9859 1 18 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.779 0.863 25515 9860 1 18 . 1 1 78 78 LYS H H 78 7.378 7.378 7.692 -0.314 25515 9861 1 18 . 1 1 79 79 TYR N N 79 115.151 115.151 114.777 0.374 25515 9862 1 18 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.673 -0.052 25515 9863 1 18 . 1 1 79 79 TYR C C 79 175.424 175.424 177.721 -2.297 25515 9864 1 18 . 1 1 79 79 TYR CA C 79 56.573 56.573 58.913 -2.340 25515 9865 1 18 . 1 1 79 79 TYR H H 79 8.505 8.505 8.343 0.162 25515 9866 1 18 . 1 1 80 80 GLY N N 80 110.813 110.813 107.939 2.874 25515 9867 1 18 . 1 1 80 80 GLY C C 80 177.481 177.481 176.266 1.215 25515 9868 1 18 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.801 -1.256 25515 9869 1 18 . 1 1 80 80 GLY H H 80 8.222 8.222 8.699 -0.477 25515 9870 1 18 . 1 1 81 81 SER N N 81 117.578 117.578 116.816 0.762 25515 9871 1 18 . 1 1 81 81 SER C C 81 174.532 174.532 176.452 -1.920 25515 9872 1 18 . 1 1 81 81 SER CA C 81 61.579 61.579 60.877 0.702 25515 9873 1 18 . 1 1 81 81 SER H H 81 8.883 8.883 8.000 0.883 25515 9874 1 18 . 1 1 82 82 LEU N N 82 123.998 123.998 120.956 3.042 25515 9875 1 18 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.508 -0.237 25515 9876 1 18 . 1 1 82 82 LEU C C 82 173.400 173.400 178.529 -5.129 25515 9877 1 18 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.440 0.492 25515 9878 1 18 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.514 -0.127 25515 9879 1 18 . 1 1 82 82 LEU H H 82 8.920 8.920 8.152 0.768 25515 9880 1 18 . 1 1 83 83 GLY N N 83 105.677 105.677 107.162 -1.485 25515 9881 1 18 . 1 1 83 83 GLY C C 83 177.230 177.230 176.260 0.970 25515 9882 1 18 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.707 -0.059 25515 9883 1 18 . 1 1 83 83 GLY H H 83 7.565 7.565 8.770 -1.205 25515 9884 1 18 . 1 1 84 84 LEU N N 84 119.542 119.542 122.224 -2.682 25515 9885 1 18 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.215 -0.156 25515 9886 1 18 . 1 1 84 84 LEU C C 84 173.036 173.036 178.024 -4.988 25515 9887 1 18 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.411 0.022 25515 9888 1 18 . 1 1 84 84 LEU H H 84 7.495 7.495 7.565 -0.070 25515 9889 1 18 . 1 1 85 85 TYR N N 85 121.424 121.424 119.036 2.388 25515 9890 1 18 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.301 -0.043 25515 9891 1 18 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.433 0.537 25515 9892 1 18 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.793 0.515 25515 9893 1 18 . 1 1 85 85 TYR H H 85 7.894 7.894 7.609 0.285 25515 9894 1 18 . 1 1 86 86 VAL N N 86 120.088 120.088 119.157 0.931 25515 9895 1 18 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.257 0.019 25515 9896 1 18 . 1 1 86 86 VAL C C 86 174.300 174.300 176.758 -2.458 25515 9897 1 18 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.339 1.970 25515 9898 1 18 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.593 0.081 25515 9899 1 18 . 1 1 86 86 VAL H H 86 8.402 8.402 8.539 -0.137 25515 9900 1 18 . 1 1 87 87 ALA N N 87 121.800 121.800 122.430 -0.630 25515 9901 1 18 . 1 1 87 87 ALA HA H 87 3.737 3.737 3.935 -0.198 25515 9902 1 18 . 1 1 87 87 ALA C C 87 172.312 172.312 179.237 -6.925 25515 9903 1 18 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.069 -0.626 25515 9904 1 18 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.273 0.128 25515 9905 1 18 . 1 1 87 87 ALA H H 87 8.317 8.317 7.636 0.681 25515 9906 1 18 . 1 1 88 88 GLU N N 88 118.012 118.012 117.606 0.406 25515 9907 1 18 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.004 -0.129 25515 9908 1 18 . 1 1 88 88 GLU C C 88 174.071 174.071 178.844 -4.773 25515 9909 1 18 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.823 -0.057 25515 9910 1 18 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.501 0.048 25515 9911 1 18 . 1 1 88 88 GLU H H 88 7.777 7.777 7.813 -0.036 25515 9912 1 18 . 1 1 89 89 GLN N N 89 116.164 116.164 117.373 -1.209 25515 9913 1 18 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.138 -0.427 25515 9914 1 18 . 1 1 89 89 GLN C C 89 174.572 174.572 177.739 -3.167 25515 9915 1 18 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.772 -0.727 25515 9916 1 18 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.339 -0.675 25515 9917 1 18 . 1 1 89 89 GLN H H 89 7.704 7.704 7.552 0.152 25515 9918 1 18 . 1 1 90 90 PHE N N 90 114.734 114.734 117.843 -3.109 25515 9919 1 18 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.403 0.307 25515 9920 1 18 . 1 1 90 90 PHE C C 90 175.715 175.715 175.818 -0.103 25515 9921 1 18 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.482 -2.077 25515 9922 1 18 . 1 1 90 90 PHE CB C 90 40.203 40.203 39.755 0.448 25515 9923 1 18 . 1 1 90 90 PHE H H 90 8.241 8.241 8.471 -0.230 25515 9924 1 18 . 1 1 91 91 GLY N N 91 111.234 111.234 105.957 5.277 25515 9925 1 18 . 1 1 91 91 GLY C C 91 176.788 176.788 174.827 1.961 25515 9926 1 18 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.639 0.531 25515 9927 1 18 . 1 1 91 91 GLY H H 91 7.668 7.668 7.205 0.463 25515 9928 1 18 . 1 1 92 92 GLU N N 92 123.392 123.392 124.322 -0.930 25515 9929 1 18 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.951 -0.109 25515 9930 1 18 . 1 1 92 92 GLU C C 92 174.798 174.798 177.957 -3.159 25515 9931 1 18 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.488 -0.230 25515 9932 1 18 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.565 0.053 25515 9933 1 18 . 1 1 92 92 GLU H H 92 8.793 8.793 8.841 -0.048 25515 9934 1 18 . 1 1 93 93 GLU N N 93 118.621 118.621 116.717 1.904 25515 9935 1 18 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.134 0.051 25515 9936 1 18 . 1 1 93 93 GLU C C 93 175.143 175.143 176.912 -1.769 25515 9937 1 18 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.266 -0.381 25515 9938 1 18 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.916 0.150 25515 9939 1 18 . 1 1 93 93 GLU H H 93 9.356 9.356 8.765 0.591 25515 9940 1 18 . 1 1 94 94 ASN N N 94 116.563 116.563 117.732 -1.169 25515 9941 1 18 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.869 0.042 25515 9942 1 18 . 1 1 94 94 ASN C C 94 176.192 176.192 177.592 -1.400 25515 9943 1 18 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.604 -1.293 25515 9944 1 18 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.784 -0.040 25515 9945 1 18 . 1 1 94 94 ASN H H 94 7.881 7.881 7.836 0.045 25515 9946 1 18 . 1 1 95 95 VAL N N 95 119.858 119.858 118.758 1.100 25515 9947 1 18 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.684 0.056 25515 9948 1 18 . 1 1 95 95 VAL C C 95 175.715 175.715 176.937 -1.222 25515 9949 1 18 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.798 -1.300 25515 9950 1 18 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.204 0.762 25515 9951 1 18 . 1 1 95 95 VAL H H 95 7.405 7.405 8.606 -1.201 25515 9952 1 18 . 1 1 96 96 ASN N N 96 116.409 116.409 115.923 0.486 25515 9953 1 18 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.574 -0.116 25515 9954 1 18 . 1 1 96 96 ASN C C 96 175.322 175.322 176.722 -1.400 25515 9955 1 18 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.905 -0.187 25515 9956 1 18 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.233 -0.017 25515 9957 1 18 . 1 1 96 96 ASN H H 96 8.356 8.356 8.148 0.208 25515 9958 1 18 . 1 1 97 97 THR N N 97 111.266 111.266 113.588 -2.322 25515 9959 1 18 . 1 1 97 97 THR HA H 97 3.993 3.993 4.213 -0.220 25515 9960 1 18 . 1 1 97 97 THR C C 97 177.418 177.418 175.660 1.758 25515 9961 1 18 . 1 1 97 97 THR CA C 97 63.604 63.604 65.265 -1.661 25515 9962 1 18 . 1 1 97 97 THR CB C 97 69.162 69.162 69.146 0.016 25515 9963 1 18 . 1 1 97 97 THR H H 97 7.575 7.575 8.429 -0.854 25515 9964 1 18 . 1 1 98 98 TYR N N 98 119.963 119.963 120.429 -0.466 25515 9965 1 18 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.324 -0.002 25515 9966 1 18 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.700 -0.502 25515 9967 1 18 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.512 -0.268 25515 9968 1 18 . 1 1 98 98 TYR H H 98 7.480 7.480 7.912 -0.432 25515 9969 1 18 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.479 0.081 25515 9970 1 18 . 1 1 99 99 PHE C C 99 177.317 177.317 175.672 1.645 25515 9971 1 18 . 1 1 99 99 PHE CA C 99 57.993 57.993 57.951 0.042 25515 9972 1 18 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.132 0.510 25515 9973 1 19 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.453 -0.162 25515 9974 1 19 . 1 1 2 2 ALA C C 2 175.019 175.019 176.848 -1.829 25515 9975 1 19 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.363 1.208 25515 9976 1 19 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.685 -0.566 25515 9977 1 19 . 1 1 3 3 ASP N N 3 120.192 120.192 123.517 -3.325 25515 9978 1 19 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.590 -0.105 25515 9979 1 19 . 1 1 3 3 ASP C C 3 175.549 175.549 175.403 0.146 25515 9980 1 19 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.752 -0.500 25515 9981 1 19 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.012 0.220 25515 9982 1 19 . 1 1 3 3 ASP H H 3 8.336 8.336 8.564 -0.228 25515 9983 1 19 . 1 1 4 4 GLN N N 4 121.286 121.286 121.306 -0.020 25515 9984 1 19 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.672 -0.470 25515 9985 1 19 . 1 1 4 4 GLN C C 4 175.579 175.579 175.131 0.448 25515 9986 1 19 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.254 1.073 25515 9987 1 19 . 1 1 4 4 GLN CB C 4 29.117 29.117 30.487 -1.370 25515 9988 1 19 . 1 1 4 4 GLN H H 4 8.404 8.404 8.340 0.064 25515 9989 1 19 . 1 1 5 5 ARG N N 5 121.138 121.138 122.056 -0.918 25515 9990 1 19 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.501 -0.337 25515 9991 1 19 . 1 1 5 5 ARG C C 5 175.327 175.327 176.096 -0.769 25515 9992 1 19 . 1 1 5 5 ARG CA C 5 56.776 56.776 55.642 1.134 25515 9993 1 19 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.656 -0.145 25515 9994 1 19 . 1 1 5 5 ARG H H 5 8.281 8.281 8.673 -0.392 25515 9995 1 19 . 1 1 6 6 GLN N N 6 120.348 120.348 116.932 3.416 25515 9996 1 19 . 1 1 6 6 GLN HA H 6 4.189 4.189 3.960 0.229 25515 9997 1 19 . 1 1 6 6 GLN C C 6 175.838 175.838 177.093 -1.255 25515 9998 1 19 . 1 1 6 6 GLN CA C 6 56.208 56.208 57.328 -1.119 25515 9999 1 19 . 1 1 6 6 GLN CB C 6 29.131 29.131 28.052 1.079 25515 10000 1 19 . 1 1 6 6 GLN H H 6 8.253 8.253 8.132 0.121 25515 10001 1 19 . 1 1 7 7 ARG N N 7 121.761 121.761 120.565 1.196 25515 10002 1 19 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.028 0.213 25515 10003 1 19 . 1 1 7 7 ARG C C 7 175.708 175.708 178.177 -2.469 25515 10004 1 19 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.820 -2.484 25515 10005 1 19 . 1 1 7 7 ARG CB C 7 30.771 30.771 29.466 1.305 25515 10006 1 19 . 1 1 7 7 ARG H H 7 8.211 8.211 8.710 -0.499 25515 10007 1 19 . 1 1 8 8 SER N N 8 116.450 116.450 114.265 2.185 25515 10008 1 19 . 1 1 8 8 SER HA H 8 4.384 4.384 4.327 0.057 25515 10009 1 19 . 1 1 8 8 SER C C 8 177.569 177.569 175.586 1.983 25515 10010 1 19 . 1 1 8 8 SER CA C 8 58.298 58.298 60.378 -2.080 25515 10011 1 19 . 1 1 8 8 SER CB C 8 63.786 63.786 62.555 1.231 25515 10012 1 19 . 1 1 8 8 SER H H 8 8.220 8.220 7.857 0.363 25515 10013 1 19 . 1 1 9 9 LEU N N 9 123.709 123.709 116.046 7.663 25515 10014 1 19 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.379 -0.025 25515 10015 1 19 . 1 1 9 9 LEU C C 9 174.915 174.915 178.362 -3.447 25515 10016 1 19 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.690 -1.714 25515 10017 1 19 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.380 1.298 25515 10018 1 19 . 1 1 9 9 LEU H H 9 8.091 8.091 7.761 0.330 25515 10019 1 19 . 1 1 10 10 SER N N 10 115.478 115.478 115.993 -0.515 25515 10020 1 19 . 1 1 10 10 SER HA H 10 4.561 4.561 4.485 0.076 25515 10021 1 19 . 1 1 10 10 SER C C 10 177.096 177.096 174.675 2.421 25515 10022 1 19 . 1 1 10 10 SER CA C 10 58.016 58.016 60.135 -2.119 25515 10023 1 19 . 1 1 10 10 SER CB C 10 64.062 64.062 64.203 -0.141 25515 10024 1 19 . 1 1 10 10 SER H H 10 8.187 8.187 8.082 0.105 25515 10025 1 19 . 1 1 11 11 THR N N 11 114.393 114.393 114.957 -0.564 25515 10026 1 19 . 1 1 11 11 THR HA H 11 4.516 4.516 4.841 -0.325 25515 10027 1 19 . 1 1 11 11 THR C C 11 177.232 177.232 174.662 2.570 25515 10028 1 19 . 1 1 11 11 THR CA C 11 61.740 61.740 61.432 0.308 25515 10029 1 19 . 1 1 11 11 THR CB C 11 69.478 69.478 69.419 0.059 25515 10030 1 19 . 1 1 11 11 THR H H 11 8.180 8.180 7.781 0.399 25515 10031 1 19 . 1 1 12 12 SER N N 12 117.125 117.125 121.392 -4.267 25515 10032 1 19 . 1 1 12 12 SER HA H 12 4.391 4.391 4.430 -0.039 25515 10033 1 19 . 1 1 12 12 SER C C 12 176.856 176.856 175.057 1.799 25515 10034 1 19 . 1 1 12 12 SER CA C 12 58.537 58.537 59.552 -1.015 25515 10035 1 19 . 1 1 12 12 SER CB C 12 63.915 63.915 63.174 0.741 25515 10036 1 19 . 1 1 12 12 SER H H 12 8.171 8.171 9.419 -1.248 25515 10037 1 19 . 1 1 13 13 GLY N N 13 111.544 111.544 107.887 3.657 25515 10038 1 19 . 1 1 13 13 GLY C C 13 178.243 178.243 173.955 4.288 25515 10039 1 19 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.412 0.068 25515 10040 1 19 . 1 1 13 13 GLY H H 13 8.381 8.381 8.272 0.109 25515 10041 1 19 . 1 1 14 14 GLU N N 14 119.223 119.223 117.570 1.653 25515 10042 1 19 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.566 -0.126 25515 10043 1 19 . 1 1 14 14 GLU C C 14 174.876 174.876 175.459 -0.583 25515 10044 1 19 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.343 1.081 25515 10045 1 19 . 1 1 14 14 GLU CB C 14 30.978 30.978 30.994 -0.016 25515 10046 1 19 . 1 1 14 14 GLU H H 14 8.149 8.149 7.872 0.277 25515 10047 1 19 . 1 1 15 15 SER N N 15 117.752 117.752 116.898 0.854 25515 10048 1 19 . 1 1 15 15 SER H H 15 8.437 8.437 8.657 -0.220 25515 10049 1 19 . 1 1 16 16 LEU N N 16 121.072 121.072 122.786 -1.714 25515 10050 1 19 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.090 -0.229 25515 10051 1 19 . 1 1 16 16 LEU C C 16 174.423 174.423 179.352 -4.929 25515 10052 1 19 . 1 1 16 16 LEU CA C 16 57.425 57.425 58.142 -0.717 25515 10053 1 19 . 1 1 16 16 LEU CB C 16 41.676 41.676 39.951 1.725 25515 10054 1 19 . 1 1 16 16 LEU H H 16 8.233 8.233 8.512 -0.279 25515 10055 1 19 . 1 1 17 17 TYR N N 17 111.961 111.961 114.899 -2.938 25515 10056 1 19 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.119 -0.457 25515 10057 1 19 . 1 1 17 17 TYR C C 17 173.256 173.256 178.638 -5.382 25515 10058 1 19 . 1 1 17 17 TYR CA C 17 61.866 61.866 61.680 0.186 25515 10059 1 19 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.370 0.037 25515 10060 1 19 . 1 1 17 17 TYR H H 17 6.929 6.929 8.265 -1.336 25515 10061 1 19 . 1 1 18 18 HIS N N 18 119.254 119.254 117.300 1.954 25515 10062 1 19 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.367 0.072 25515 10063 1 19 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.207 0.707 25515 10064 1 19 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.608 -0.993 25515 10065 1 19 . 1 1 18 18 HIS H H 18 7.672 7.672 7.830 -0.158 25515 10066 1 19 . 1 1 19 19 VAL N N 19 120.746 120.746 119.232 1.514 25515 10067 1 19 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.867 -0.162 25515 10068 1 19 . 1 1 19 19 VAL C C 19 175.643 175.643 177.001 -1.358 25515 10069 1 19 . 1 1 19 19 VAL CA C 19 65.533 65.533 66.022 -0.489 25515 10070 1 19 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.407 0.059 25515 10071 1 19 . 1 1 19 19 VAL H H 19 7.883 7.883 7.906 -0.023 25515 10072 1 19 . 1 1 20 20 LEU N N 20 114.576 114.576 117.180 -2.604 25515 10073 1 19 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.395 -0.034 25515 10074 1 19 . 1 1 20 20 LEU C C 20 175.746 175.746 177.042 -1.296 25515 10075 1 19 . 1 1 20 20 LEU CA C 20 53.281 53.281 55.034 -1.753 25515 10076 1 19 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.447 0.453 25515 10077 1 19 . 1 1 20 20 LEU H H 20 6.626 6.626 7.572 -0.946 25515 10078 1 19 . 1 1 21 21 GLY N N 21 109.239 109.239 106.688 2.551 25515 10079 1 19 . 1 1 21 21 GLY C C 21 177.637 177.637 174.719 2.918 25515 10080 1 19 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.818 0.465 25515 10081 1 19 . 1 1 21 21 GLY H H 21 7.991 7.991 7.622 0.369 25515 10082 1 19 . 1 1 22 22 LEU N N 22 119.495 119.495 115.292 4.203 25515 10083 1 19 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.822 -0.055 25515 10084 1 19 . 1 1 22 22 LEU C C 22 177.306 177.306 176.226 1.080 25515 10085 1 19 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.483 0.400 25515 10086 1 19 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.379 2.528 25515 10087 1 19 . 1 1 22 22 LEU H H 22 7.765 7.765 7.267 0.498 25515 10088 1 19 . 1 1 23 23 ASP N N 23 118.518 118.518 119.441 -0.923 25515 10089 1 19 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.625 -0.036 25515 10090 1 19 . 1 1 23 23 ASP C C 23 176.597 176.597 177.678 -1.081 25515 10091 1 19 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.850 -1.819 25515 10092 1 19 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.570 0.911 25515 10093 1 19 . 1 1 23 23 ASP H H 23 7.977 7.977 8.511 -0.534 25515 10094 1 19 . 1 1 24 24 LYS N N 24 115.499 115.499 118.065 -2.566 25515 10095 1 19 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.335 -1.183 25515 10096 1 19 . 1 1 24 24 LYS C C 24 176.231 176.231 175.831 0.400 25515 10097 1 19 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.334 -0.267 25515 10098 1 19 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.370 0.992 25515 10099 1 19 . 1 1 24 24 LYS H H 24 7.811 7.811 8.540 -0.729 25515 10100 1 19 . 1 1 25 25 ASN N N 25 115.622 115.622 116.716 -1.094 25515 10101 1 19 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.814 -0.289 25515 10102 1 19 . 1 1 25 25 ASN C C 25 176.698 176.698 174.782 1.916 25515 10103 1 19 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.807 0.066 25515 10104 1 19 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.698 -1.624 25515 10105 1 19 . 1 1 25 25 ASN H H 25 7.817 7.817 7.810 0.007 25515 10106 1 19 . 1 1 26 26 ALA N N 26 122.970 122.970 124.375 -1.405 25515 10107 1 19 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.381 -0.022 25515 10108 1 19 . 1 1 26 26 ALA C C 26 173.847 173.847 176.483 -2.636 25515 10109 1 19 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.472 0.445 25515 10110 1 19 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.129 0.838 25515 10111 1 19 . 1 1 26 26 ALA H H 26 7.646 7.646 7.346 0.300 25515 10112 1 19 . 1 1 27 27 THR N N 27 113.252 113.252 114.120 -0.868 25515 10113 1 19 . 1 1 27 27 THR HA H 27 4.657 4.657 4.472 0.185 25515 10114 1 19 . 1 1 27 27 THR C C 27 175.986 175.986 176.204 -0.218 25515 10115 1 19 . 1 1 27 27 THR CA C 27 60.427 60.427 59.333 1.094 25515 10116 1 19 . 1 1 27 27 THR CB C 27 71.702 71.702 70.459 1.243 25515 10117 1 19 . 1 1 27 27 THR H H 27 9.089 9.089 8.250 0.839 25515 10118 1 19 . 1 1 28 28 SER N N 28 115.961 115.961 118.063 -2.102 25515 10119 1 19 . 1 1 28 28 SER HA H 28 3.930 3.930 4.037 -0.107 25515 10120 1 19 . 1 1 28 28 SER C C 28 175.440 175.440 176.060 -0.620 25515 10121 1 19 . 1 1 28 28 SER CA C 28 62.515 62.515 62.844 -0.329 25515 10122 1 19 . 1 1 28 28 SER CB C 28 62.713 62.713 63.133 -0.420 25515 10123 1 19 . 1 1 28 28 SER H H 28 9.095 9.095 8.832 0.263 25515 10124 1 19 . 1 1 29 29 ASP N N 29 119.797 119.797 120.845 -1.048 25515 10125 1 19 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.386 0.017 25515 10126 1 19 . 1 1 29 29 ASP C C 29 173.862 173.862 177.992 -4.130 25515 10127 1 19 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.559 0.224 25515 10128 1 19 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.953 0.098 25515 10129 1 19 . 1 1 29 29 ASP H H 29 8.122 8.122 8.201 -0.079 25515 10130 1 19 . 1 1 30 30 ASP N N 30 120.847 120.847 119.511 1.336 25515 10131 1 19 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.583 -0.236 25515 10132 1 19 . 1 1 30 30 ASP C C 30 172.627 172.627 178.774 -6.147 25515 10133 1 19 . 1 1 30 30 ASP CA C 30 57.689 57.689 56.728 0.961 25515 10134 1 19 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.072 -0.090 25515 10135 1 19 . 1 1 30 30 ASP H H 30 7.851 7.851 7.754 0.097 25515 10136 1 19 . 1 1 31 31 ILE N N 31 121.776 121.776 121.103 0.673 25515 10137 1 19 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.669 -0.153 25515 10138 1 19 . 1 1 31 31 ILE C C 31 174.709 174.709 178.407 -3.698 25515 10139 1 19 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.252 0.234 25515 10140 1 19 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.911 0.330 25515 10141 1 19 . 1 1 31 31 ILE H H 31 8.122 8.122 8.170 -0.048 25515 10142 1 19 . 1 1 32 32 LYS N N 32 119.510 119.510 120.210 -0.700 25515 10143 1 19 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.444 -0.367 25515 10144 1 19 . 1 1 32 32 LYS C C 32 172.959 172.959 179.235 -6.276 25515 10145 1 19 . 1 1 32 32 LYS CA C 32 60.835 60.835 58.685 2.150 25515 10146 1 19 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.105 0.399 25515 10147 1 19 . 1 1 32 32 LYS H H 32 8.172 8.172 8.352 -0.180 25515 10148 1 19 . 1 1 33 33 LYS N N 33 119.042 119.042 120.589 -1.547 25515 10149 1 19 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.040 -0.072 25515 10150 1 19 . 1 1 33 33 LYS C C 33 172.323 172.323 179.331 -7.008 25515 10151 1 19 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.761 0.245 25515 10152 1 19 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.261 0.452 25515 10153 1 19 . 1 1 33 33 LYS H H 33 8.342 8.342 7.838 0.504 25515 10154 1 19 . 1 1 34 34 SER N N 34 115.060 115.060 115.313 -0.253 25515 10155 1 19 . 1 1 34 34 SER HA H 34 4.260 4.260 4.213 0.047 25515 10156 1 19 . 1 1 34 34 SER C C 34 175.503 175.503 176.187 -0.684 25515 10157 1 19 . 1 1 34 34 SER CA C 34 61.734 61.734 62.322 -0.588 25515 10158 1 19 . 1 1 34 34 SER CB C 34 63.088 63.088 63.180 -0.092 25515 10159 1 19 . 1 1 34 34 SER H H 34 8.161 8.161 8.695 -0.534 25515 10160 1 19 . 1 1 35 35 TYR N N 35 119.241 119.241 123.195 -3.954 25515 10161 1 19 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.134 -0.260 25515 10162 1 19 . 1 1 35 35 TYR C C 35 176.352 176.352 176.972 -0.620 25515 10163 1 19 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.521 0.348 25515 10164 1 19 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.384 0.406 25515 10165 1 19 . 1 1 35 35 TYR H H 35 8.499 8.499 7.759 0.740 25515 10166 1 19 . 1 1 36 36 ARG N N 36 116.674 116.674 117.876 -1.202 25515 10167 1 19 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.531 -0.078 25515 10168 1 19 . 1 1 36 36 ARG C C 36 173.135 173.135 178.679 -5.544 25515 10169 1 19 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.548 1.062 25515 10170 1 19 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.220 0.659 25515 10171 1 19 . 1 1 36 36 ARG H H 36 7.967 7.967 8.111 -0.144 25515 10172 1 19 . 1 1 37 37 LYS N N 37 116.974 116.974 119.048 -2.074 25515 10173 1 19 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.989 -0.019 25515 10174 1 19 . 1 1 37 37 LYS C C 37 172.489 172.489 179.667 -7.178 25515 10175 1 19 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.368 0.009 25515 10176 1 19 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.238 0.519 25515 10177 1 19 . 1 1 37 37 LYS H H 37 7.275 7.275 8.243 -0.968 25515 10178 1 19 . 1 1 38 38 LEU N N 38 120.978 120.978 118.701 2.277 25515 10179 1 19 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.285 -0.262 25515 10180 1 19 . 1 1 38 38 LEU C C 38 173.557 173.557 178.372 -4.815 25515 10181 1 19 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.598 0.806 25515 10182 1 19 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.175 0.193 25515 10183 1 19 . 1 1 38 38 LEU H H 38 8.268 8.268 7.649 0.619 25515 10184 1 19 . 1 1 39 39 ALA N N 39 122.700 122.700 123.055 -0.355 25515 10185 1 19 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.823 0.062 25515 10186 1 19 . 1 1 39 39 ALA C C 39 172.721 172.721 178.871 -6.150 25515 10187 1 19 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.278 0.162 25515 10188 1 19 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.210 -1.260 25515 10189 1 19 . 1 1 39 39 ALA H H 39 9.043 9.043 8.317 0.726 25515 10190 1 19 . 1 1 40 40 LEU N N 40 114.462 114.462 113.914 0.548 25515 10191 1 19 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.009 0.023 25515 10192 1 19 . 1 1 40 40 LEU C C 40 173.110 173.110 179.116 -6.006 25515 10193 1 19 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.635 0.674 25515 10194 1 19 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.175 1.859 25515 10195 1 19 . 1 1 40 40 LEU H H 40 6.862 6.862 7.451 -0.589 25515 10196 1 19 . 1 1 41 41 LYS N N 41 118.126 118.126 121.628 -3.502 25515 10197 1 19 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.798 0.044 25515 10198 1 19 . 1 1 41 41 LYS C C 41 173.695 173.695 177.832 -4.137 25515 10199 1 19 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.157 -0.415 25515 10200 1 19 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.526 0.461 25515 10201 1 19 . 1 1 41 41 LYS H H 41 7.135 7.135 7.684 -0.549 25515 10202 1 19 . 1 1 42 42 TYR N N 42 113.902 113.902 114.299 -0.397 25515 10203 1 19 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.571 -0.081 25515 10204 1 19 . 1 1 42 42 TYR C C 42 178.884 178.884 174.474 4.410 25515 10205 1 19 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.070 0.943 25515 10206 1 19 . 1 1 42 42 TYR CB C 42 38.510 38.510 37.689 0.821 25515 10207 1 19 . 1 1 42 42 TYR H H 42 7.756 7.756 7.865 -0.109 25515 10208 1 19 . 1 1 43 43 HIS N N 43 120.909 120.909 122.653 -1.744 25515 10209 1 19 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.233 -0.761 25515 10210 1 19 . 1 1 43 43 HIS CA C 43 56.899 56.899 55.446 1.454 25515 10211 1 19 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.465 -0.340 25515 10212 1 19 . 1 1 43 43 HIS H H 43 7.134 7.134 7.548 -0.414 25515 10213 1 19 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.119 -0.121 25515 10214 1 19 . 1 1 44 44 PRO C C 44 172.774 172.774 178.495 -5.721 25515 10215 1 19 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.995 -0.390 25515 10216 1 19 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.715 -0.105 25515 10217 1 19 . 1 1 45 45 ASP N N 45 121.379 121.379 115.486 5.893 25515 10218 1 19 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.466 -0.109 25515 10219 1 19 . 1 1 45 45 ASP C C 45 173.968 173.968 177.146 -3.178 25515 10220 1 19 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.900 0.871 25515 10221 1 19 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.342 -0.219 25515 10222 1 19 . 1 1 45 45 ASP H H 45 10.727 10.727 8.485 2.242 25515 10223 1 19 . 1 1 46 46 LYS N N 46 115.902 115.902 116.808 -0.906 25515 10224 1 19 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.261 0.097 25515 10225 1 19 . 1 1 46 46 LYS C C 46 176.450 176.450 176.502 -0.052 25515 10226 1 19 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.519 -1.745 25515 10227 1 19 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.789 0.400 25515 10228 1 19 . 1 1 46 46 LYS H H 46 7.475 7.475 8.119 -0.644 25515 10229 1 19 . 1 1 47 47 ASN N N 47 117.709 117.709 119.047 -1.338 25515 10230 1 19 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.173 -0.023 25515 10231 1 19 . 1 1 47 47 ASN C C 47 170.657 170.657 173.099 -2.442 25515 10232 1 19 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.308 0.232 25515 10233 1 19 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.033 2.523 25515 10234 1 19 . 1 1 47 47 ASN H H 47 7.410 7.410 7.576 -0.166 25515 10235 1 19 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.633 -0.267 25515 10236 1 19 . 1 1 48 48 PRO C C 48 174.739 174.739 176.260 -1.521 25515 10237 1 19 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.271 1.841 25515 10238 1 19 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.642 -1.118 25515 10239 1 19 . 1 1 49 49 ASP N N 49 117.619 117.619 117.422 0.197 25515 10240 1 19 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.466 -0.089 25515 10241 1 19 . 1 1 49 49 ASP C C 49 177.335 177.335 175.964 1.371 25515 10242 1 19 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.067 -0.482 25515 10243 1 19 . 1 1 49 49 ASP CB C 49 40.254 40.254 41.150 -0.896 25515 10244 1 19 . 1 1 49 49 ASP H H 49 8.679 8.679 8.407 0.272 25515 10245 1 19 . 1 1 50 50 ASN N N 50 114.537 114.537 118.145 -3.608 25515 10246 1 19 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.670 0.530 25515 10247 1 19 . 1 1 50 50 ASN C C 50 178.245 178.245 174.908 3.337 25515 10248 1 19 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.138 -2.003 25515 10249 1 19 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.100 1.476 25515 10250 1 19 . 1 1 50 50 ASN H H 50 7.341 7.341 8.076 -0.735 25515 10251 1 19 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.473 -0.109 25515 10252 1 19 . 1 1 51 51 PRO C C 51 173.714 173.714 177.851 -4.137 25515 10253 1 19 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.299 1.319 25515 10254 1 19 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.902 0.199 25515 10255 1 19 . 1 1 52 52 GLU N N 52 118.597 118.597 121.109 -2.512 25515 10256 1 19 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.093 0.095 25515 10257 1 19 . 1 1 52 52 GLU C C 52 173.216 173.216 177.753 -4.537 25515 10258 1 19 . 1 1 52 52 GLU CA C 52 58.950 58.950 59.983 -1.032 25515 10259 1 19 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.366 -0.168 25515 10260 1 19 . 1 1 52 52 GLU H H 52 8.048 8.048 8.760 -0.712 25515 10261 1 19 . 1 1 53 53 ALA N N 53 122.149 122.149 121.092 1.057 25515 10262 1 19 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.144 -0.170 25515 10263 1 19 . 1 1 53 53 ALA C C 53 173.485 173.485 179.096 -5.611 25515 10264 1 19 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.890 0.181 25515 10265 1 19 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.456 -0.679 25515 10266 1 19 . 1 1 53 53 ALA H H 53 7.606 7.606 7.578 0.028 25515 10267 1 19 . 1 1 54 54 ALA N N 54 119.475 119.475 121.292 -1.817 25515 10268 1 19 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.046 0.181 25515 10269 1 19 . 1 1 54 54 ALA C C 54 171.125 171.125 178.939 -7.814 25515 10270 1 19 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.904 0.267 25515 10271 1 19 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.265 -0.418 25515 10272 1 19 . 1 1 54 54 ALA H H 54 7.680 7.680 8.211 -0.531 25515 10273 1 19 . 1 1 55 55 ASP N N 55 120.134 120.134 119.108 1.026 25515 10274 1 19 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.331 0.090 25515 10275 1 19 . 1 1 55 55 ASP C C 55 173.088 173.088 178.611 -5.523 25515 10276 1 19 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.719 -0.313 25515 10277 1 19 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.832 -0.503 25515 10278 1 19 . 1 1 55 55 ASP H H 55 7.983 7.983 8.123 -0.140 25515 10279 1 19 . 1 1 56 56 LYS N N 56 120.915 120.915 119.753 1.162 25515 10280 1 19 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.896 0.014 25515 10281 1 19 . 1 1 56 56 LYS C C 56 173.210 173.210 178.857 -5.647 25515 10282 1 19 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.735 -0.254 25515 10283 1 19 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.504 -0.596 25515 10284 1 19 . 1 1 56 56 LYS H H 56 7.758 7.758 7.632 0.126 25515 10285 1 19 . 1 1 57 57 PHE N N 57 120.024 120.024 120.010 0.014 25515 10286 1 19 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.136 -0.131 25515 10287 1 19 . 1 1 57 57 PHE C C 57 174.430 174.430 177.330 -2.900 25515 10288 1 19 . 1 1 57 57 PHE CA C 57 61.540 61.540 59.514 2.026 25515 10289 1 19 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.526 0.562 25515 10290 1 19 . 1 1 57 57 PHE H H 57 8.861 8.861 8.634 0.227 25515 10291 1 19 . 1 1 58 58 LYS N N 58 119.306 119.306 119.896 -0.590 25515 10292 1 19 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.696 0.257 25515 10293 1 19 . 1 1 58 58 LYS C C 58 172.875 172.875 178.517 -5.642 25515 10294 1 19 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.071 -0.210 25515 10295 1 19 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.371 -0.062 25515 10296 1 19 . 1 1 58 58 LYS H H 58 7.846 7.846 8.306 -0.460 25515 10297 1 19 . 1 1 59 59 GLU N N 59 119.732 119.732 118.116 1.616 25515 10298 1 19 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.101 -0.052 25515 10299 1 19 . 1 1 59 59 GLU C C 59 171.935 171.935 179.237 -7.302 25515 10300 1 19 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.142 0.331 25515 10301 1 19 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.275 0.552 25515 10302 1 19 . 1 1 59 59 GLU H H 59 7.732 7.732 8.148 -0.416 25515 10303 1 19 . 1 1 60 60 ILE N N 60 119.074 119.074 121.494 -2.420 25515 10304 1 19 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.709 -0.021 25515 10305 1 19 . 1 1 60 60 ILE C C 60 174.424 174.424 178.205 -3.781 25515 10306 1 19 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.138 -0.864 25515 10307 1 19 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.835 0.612 25515 10308 1 19 . 1 1 60 60 ILE H H 60 8.429 8.429 8.563 -0.134 25515 10309 1 19 . 1 1 61 61 ASN N N 61 120.038 120.038 117.822 2.216 25515 10310 1 19 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.475 -0.174 25515 10311 1 19 . 1 1 61 61 ASN C C 61 174.271 174.271 177.738 -3.467 25515 10312 1 19 . 1 1 61 61 ASN CA C 61 56.556 56.556 56.186 0.370 25515 10313 1 19 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.220 0.063 25515 10314 1 19 . 1 1 61 61 ASN H H 61 8.025 8.025 8.592 -0.567 25515 10315 1 19 . 1 1 62 62 ASN N N 62 119.502 119.502 118.805 0.697 25515 10316 1 19 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.506 -0.196 25515 10317 1 19 . 1 1 62 62 ASN C C 62 176.042 176.042 177.356 -1.314 25515 10318 1 19 . 1 1 62 62 ASN CA C 62 56.548 56.548 55.856 0.692 25515 10319 1 19 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.466 0.255 25515 10320 1 19 . 1 1 62 62 ASN H H 62 8.042 8.042 8.183 -0.141 25515 10321 1 19 . 1 1 63 63 ALA N N 63 119.769 119.769 122.919 -3.150 25515 10322 1 19 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.824 -0.138 25515 10323 1 19 . 1 1 63 63 ALA C C 63 173.564 173.564 179.310 -5.746 25515 10324 1 19 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.956 0.584 25515 10325 1 19 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.867 0.639 25515 10326 1 19 . 1 1 63 63 ALA H H 63 7.944 7.944 8.293 -0.349 25515 10327 1 19 . 1 1 64 64 HIS N N 64 115.292 115.292 118.818 -3.526 25515 10328 1 19 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.136 -0.609 25515 10329 1 19 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.330 1.054 25515 10330 1 19 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.710 0.225 25515 10331 1 19 . 1 1 64 64 HIS H H 64 8.055 8.055 8.489 -0.434 25515 10332 1 19 . 1 1 65 65 ALA N N 65 122.093 122.093 121.001 1.092 25515 10333 1 19 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.907 -0.401 25515 10334 1 19 . 1 1 65 65 ALA C C 65 172.454 172.454 179.362 -6.908 25515 10335 1 19 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.877 1.115 25515 10336 1 19 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.136 -0.998 25515 10337 1 19 . 1 1 65 65 ALA H H 65 7.944 7.944 7.910 0.034 25515 10338 1 19 . 1 1 66 66 ILE N N 66 115.954 115.954 118.917 -2.963 25515 10339 1 19 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.661 -0.203 25515 10340 1 19 . 1 1 66 66 ILE C C 66 175.394 175.394 178.481 -3.087 25515 10341 1 19 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.542 0.066 25515 10342 1 19 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.465 1.524 25515 10343 1 19 . 1 1 66 66 ILE H H 66 7.358 7.358 8.085 -0.727 25515 10344 1 19 . 1 1 67 67 LEU N N 67 111.268 111.268 115.990 -4.722 25515 10345 1 19 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.033 -0.358 25515 10346 1 19 . 1 1 67 67 LEU C C 67 174.490 174.490 178.435 -3.945 25515 10347 1 19 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.253 0.314 25515 10348 1 19 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.763 2.291 25515 10349 1 19 . 1 1 67 67 LEU H H 67 7.743 7.743 7.717 0.026 25515 10350 1 19 . 1 1 68 68 THR N N 68 103.399 103.399 110.245 -6.846 25515 10351 1 19 . 1 1 68 68 THR HA H 68 4.023 4.023 4.275 -0.252 25515 10352 1 19 . 1 1 68 68 THR C C 68 178.796 178.796 173.462 5.334 25515 10353 1 19 . 1 1 68 68 THR CA C 68 61.672 61.672 61.544 0.128 25515 10354 1 19 . 1 1 68 68 THR CB C 68 69.052 69.052 68.354 0.698 25515 10355 1 19 . 1 1 68 68 THR H H 68 7.104 7.104 7.288 -0.184 25515 10356 1 19 . 1 1 69 69 ASP N N 69 125.057 125.057 121.755 3.302 25515 10357 1 19 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.710 -0.009 25515 10358 1 19 . 1 1 69 69 ASP C C 69 177.204 177.204 176.106 1.098 25515 10359 1 19 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.792 -0.033 25515 10360 1 19 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.466 -0.715 25515 10361 1 19 . 1 1 69 69 ASP H H 69 7.076 7.076 7.390 -0.314 25515 10362 1 19 . 1 1 70 70 ALA N N 70 128.178 128.178 127.993 0.185 25515 10363 1 19 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.110 -0.213 25515 10364 1 19 . 1 1 70 70 ALA C C 70 171.909 171.909 178.813 -6.904 25515 10365 1 19 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.854 0.972 25515 10366 1 19 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.786 -0.312 25515 10367 1 19 . 1 1 70 70 ALA H H 70 8.761 8.761 8.660 0.101 25515 10368 1 19 . 1 1 71 71 THR N N 71 113.629 113.629 115.523 -1.894 25515 10369 1 19 . 1 1 71 71 THR HA H 71 3.981 3.981 4.150 -0.169 25515 10370 1 19 . 1 1 71 71 THR C C 71 175.038 175.038 176.747 -1.709 25515 10371 1 19 . 1 1 71 71 THR CA C 71 66.164 66.164 65.954 0.210 25515 10372 1 19 . 1 1 71 71 THR CB C 71 68.319 68.319 68.769 -0.450 25515 10373 1 19 . 1 1 71 71 THR H H 71 7.957 7.957 7.953 0.004 25515 10374 1 19 . 1 1 72 72 LYS N N 72 122.501 122.501 120.802 1.699 25515 10375 1 19 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.076 -0.266 25515 10376 1 19 . 1 1 72 72 LYS C C 72 173.814 173.814 178.936 -5.122 25515 10377 1 19 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.627 0.665 25515 10378 1 19 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.101 0.705 25515 10379 1 19 . 1 1 72 72 LYS H H 72 8.309 8.309 9.208 -0.899 25515 10380 1 19 . 1 1 73 73 ARG N N 73 120.595 120.595 118.099 2.496 25515 10381 1 19 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.180 -0.577 25515 10382 1 19 . 1 1 73 73 ARG C C 73 174.477 174.477 177.937 -3.460 25515 10383 1 19 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.421 2.408 25515 10384 1 19 . 1 1 73 73 ARG H H 73 9.258 9.258 7.655 1.603 25515 10385 1 19 . 1 1 74 74 ASN N N 74 115.425 115.425 119.180 -3.755 25515 10386 1 19 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.522 -0.091 25515 10387 1 19 . 1 1 74 74 ASN C C 74 174.296 174.296 178.366 -4.070 25515 10388 1 19 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.642 0.068 25515 10389 1 19 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.410 0.320 25515 10390 1 19 . 1 1 74 74 ASN H H 74 7.534 7.534 7.926 -0.392 25515 10391 1 19 . 1 1 75 75 ILE N N 75 119.020 119.020 119.082 -0.062 25515 10392 1 19 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.887 -0.254 25515 10393 1 19 . 1 1 75 75 ILE C C 75 174.667 174.667 176.865 -2.198 25515 10394 1 19 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.773 1.732 25515 10395 1 19 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.470 1.755 25515 10396 1 19 . 1 1 75 75 ILE H H 75 7.656 7.656 8.400 -0.744 25515 10397 1 19 . 1 1 76 76 TYR N N 76 121.913 121.913 121.426 0.487 25515 10398 1 19 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.136 -0.121 25515 10399 1 19 . 1 1 76 76 TYR C C 76 173.323 173.323 176.714 -3.391 25515 10400 1 19 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.320 0.227 25515 10401 1 19 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.205 0.548 25515 10402 1 19 . 1 1 76 76 TYR H H 76 8.894 8.894 7.908 0.986 25515 10403 1 19 . 1 1 77 77 ASP N N 77 120.151 120.151 117.174 2.977 25515 10404 1 19 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.359 -0.022 25515 10405 1 19 . 1 1 77 77 ASP C C 77 174.321 174.321 176.864 -2.543 25515 10406 1 19 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.259 1.660 25515 10407 1 19 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.141 -1.156 25515 10408 1 19 . 1 1 77 77 ASP H H 77 9.151 9.151 7.908 1.243 25515 10409 1 19 . 1 1 78 78 LYS N N 78 117.659 117.659 118.452 -0.793 25515 10410 1 19 . 1 1 78 78 LYS HA H 78 3.927 3.927 4.090 -0.163 25515 10411 1 19 . 1 1 78 78 LYS C C 78 174.237 174.237 176.998 -2.761 25515 10412 1 19 . 1 1 78 78 LYS CA C 78 58.413 58.413 57.580 0.833 25515 10413 1 19 . 1 1 78 78 LYS CB C 78 33.642 33.642 33.605 0.037 25515 10414 1 19 . 1 1 78 78 LYS H H 78 7.378 7.378 7.560 -0.182 25515 10415 1 19 . 1 1 79 79 TYR N N 79 115.151 115.151 115.888 -0.737 25515 10416 1 19 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.585 0.036 25515 10417 1 19 . 1 1 79 79 TYR C C 79 175.424 175.424 177.669 -2.245 25515 10418 1 19 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.233 -2.660 25515 10419 1 19 . 1 1 79 79 TYR H H 79 8.505 8.505 8.299 0.206 25515 10420 1 19 . 1 1 80 80 GLY N N 80 110.813 110.813 107.960 2.853 25515 10421 1 19 . 1 1 80 80 GLY C C 80 177.481 177.481 175.883 1.598 25515 10422 1 19 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.594 -1.049 25515 10423 1 19 . 1 1 80 80 GLY H H 80 8.222 8.222 8.380 -0.158 25515 10424 1 19 . 1 1 81 81 SER N N 81 117.578 117.578 116.628 0.950 25515 10425 1 19 . 1 1 81 81 SER C C 81 174.532 174.532 176.572 -2.040 25515 10426 1 19 . 1 1 81 81 SER CA C 81 61.579 61.579 61.225 0.354 25515 10427 1 19 . 1 1 81 81 SER H H 81 8.883 8.883 7.920 0.963 25515 10428 1 19 . 1 1 82 82 LEU N N 82 123.998 123.998 120.510 3.488 25515 10429 1 19 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.620 -0.349 25515 10430 1 19 . 1 1 82 82 LEU C C 82 173.400 173.400 178.493 -5.093 25515 10431 1 19 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.349 0.583 25515 10432 1 19 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.519 -0.132 25515 10433 1 19 . 1 1 82 82 LEU H H 82 8.920 8.920 8.129 0.791 25515 10434 1 19 . 1 1 83 83 GLY N N 83 105.677 105.677 107.389 -1.712 25515 10435 1 19 . 1 1 83 83 GLY C C 83 177.230 177.230 176.242 0.988 25515 10436 1 19 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.709 -0.061 25515 10437 1 19 . 1 1 83 83 GLY H H 83 7.565 7.565 8.633 -1.068 25515 10438 1 19 . 1 1 84 84 LEU N N 84 119.542 119.542 122.527 -2.985 25515 10439 1 19 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.191 -0.132 25515 10440 1 19 . 1 1 84 84 LEU C C 84 173.036 173.036 177.964 -4.928 25515 10441 1 19 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.638 -0.205 25515 10442 1 19 . 1 1 84 84 LEU H H 84 7.495 7.495 7.619 -0.124 25515 10443 1 19 . 1 1 85 85 TYR N N 85 121.424 121.424 117.861 3.563 25515 10444 1 19 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.232 0.026 25515 10445 1 19 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.841 0.129 25515 10446 1 19 . 1 1 85 85 TYR CB C 85 38.308 38.308 37.777 0.531 25515 10447 1 19 . 1 1 85 85 TYR H H 85 7.894 7.894 7.618 0.276 25515 10448 1 19 . 1 1 86 86 VAL N N 86 120.088 120.088 118.965 1.123 25515 10449 1 19 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.345 -0.069 25515 10450 1 19 . 1 1 86 86 VAL C C 86 174.300 174.300 177.230 -2.930 25515 10451 1 19 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.336 1.973 25515 10452 1 19 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.521 0.153 25515 10453 1 19 . 1 1 86 86 VAL H H 86 8.402 8.402 8.462 -0.060 25515 10454 1 19 . 1 1 87 87 ALA N N 87 121.800 121.800 122.394 -0.594 25515 10455 1 19 . 1 1 87 87 ALA HA H 87 3.737 3.737 3.987 -0.250 25515 10456 1 19 . 1 1 87 87 ALA C C 87 172.312 172.312 178.795 -6.483 25515 10457 1 19 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.130 -0.687 25515 10458 1 19 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.581 -0.180 25515 10459 1 19 . 1 1 87 87 ALA H H 87 8.317 8.317 7.820 0.497 25515 10460 1 19 . 1 1 88 88 GLU N N 88 118.012 118.012 116.727 1.285 25515 10461 1 19 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.083 -0.208 25515 10462 1 19 . 1 1 88 88 GLU C C 88 174.071 174.071 178.689 -4.618 25515 10463 1 19 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.393 0.373 25515 10464 1 19 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.459 0.090 25515 10465 1 19 . 1 1 88 88 GLU H H 88 7.777 7.777 7.918 -0.141 25515 10466 1 19 . 1 1 89 89 GLN N N 89 116.164 116.164 117.214 -1.050 25515 10467 1 19 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.143 -0.432 25515 10468 1 19 . 1 1 89 89 GLN C C 89 174.572 174.572 177.367 -2.795 25515 10469 1 19 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.424 -0.379 25515 10470 1 19 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.374 -0.710 25515 10471 1 19 . 1 1 89 89 GLN H H 89 7.704 7.704 7.708 -0.004 25515 10472 1 19 . 1 1 90 90 PHE N N 90 114.734 114.734 116.915 -2.181 25515 10473 1 19 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.529 0.181 25515 10474 1 19 . 1 1 90 90 PHE C C 90 175.715 175.715 175.835 -0.120 25515 10475 1 19 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.049 -1.644 25515 10476 1 19 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.346 -0.143 25515 10477 1 19 . 1 1 90 90 PHE H H 90 8.241 8.241 8.309 -0.068 25515 10478 1 19 . 1 1 91 91 GLY N N 91 111.234 111.234 107.323 3.911 25515 10479 1 19 . 1 1 91 91 GLY C C 91 176.788 176.788 174.256 2.532 25515 10480 1 19 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.834 0.336 25515 10481 1 19 . 1 1 91 91 GLY H H 91 7.668 7.668 7.477 0.191 25515 10482 1 19 . 1 1 92 92 GLU N N 92 123.392 123.392 124.575 -1.183 25515 10483 1 19 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.939 -0.097 25515 10484 1 19 . 1 1 92 92 GLU C C 92 174.798 174.798 178.030 -3.232 25515 10485 1 19 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.626 -0.368 25515 10486 1 19 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.598 0.020 25515 10487 1 19 . 1 1 92 92 GLU H H 92 8.793 8.793 8.727 0.066 25515 10488 1 19 . 1 1 93 93 GLU N N 93 118.621 118.621 117.447 1.174 25515 10489 1 19 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.132 0.053 25515 10490 1 19 . 1 1 93 93 GLU C C 93 175.143 175.143 176.952 -1.809 25515 10491 1 19 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.316 -0.431 25515 10492 1 19 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.912 0.155 25515 10493 1 19 . 1 1 93 93 GLU H H 93 9.356 9.356 8.539 0.817 25515 10494 1 19 . 1 1 94 94 ASN N N 94 116.563 116.563 118.300 -1.737 25515 10495 1 19 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.811 0.100 25515 10496 1 19 . 1 1 94 94 ASN C C 94 176.192 176.192 177.832 -1.640 25515 10497 1 19 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.163 -0.852 25515 10498 1 19 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.292 0.452 25515 10499 1 19 . 1 1 94 94 ASN H H 94 7.881 7.881 7.792 0.089 25515 10500 1 19 . 1 1 95 95 VAL N N 95 119.858 119.858 119.107 0.751 25515 10501 1 19 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.622 0.118 25515 10502 1 19 . 1 1 95 95 VAL C C 95 175.715 175.715 176.930 -1.215 25515 10503 1 19 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.818 -1.320 25515 10504 1 19 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.035 0.931 25515 10505 1 19 . 1 1 95 95 VAL H H 95 7.405 7.405 8.667 -1.262 25515 10506 1 19 . 1 1 96 96 ASN N N 96 116.409 116.409 117.956 -1.547 25515 10507 1 19 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.555 -0.097 25515 10508 1 19 . 1 1 96 96 ASN C C 96 175.322 175.322 176.752 -1.430 25515 10509 1 19 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.892 -0.173 25515 10510 1 19 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.283 -0.067 25515 10511 1 19 . 1 1 96 96 ASN H H 96 8.356 8.356 8.328 0.028 25515 10512 1 19 . 1 1 97 97 THR N N 97 111.266 111.266 114.584 -3.318 25515 10513 1 19 . 1 1 97 97 THR HA H 97 3.993 3.993 4.146 -0.153 25515 10514 1 19 . 1 1 97 97 THR C C 97 177.418 177.418 175.350 2.068 25515 10515 1 19 . 1 1 97 97 THR CA C 97 63.604 63.604 65.459 -1.855 25515 10516 1 19 . 1 1 97 97 THR CB C 97 69.162 69.162 68.967 0.195 25515 10517 1 19 . 1 1 97 97 THR H H 97 7.575 7.575 8.442 -0.867 25515 10518 1 19 . 1 1 98 98 TYR N N 98 119.963 119.963 120.057 -0.094 25515 10519 1 19 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.378 -0.056 25515 10520 1 19 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.253 -1.055 25515 10521 1 19 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.513 -0.269 25515 10522 1 19 . 1 1 98 98 TYR H H 98 7.480 7.480 7.823 -0.343 25515 10523 1 19 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.322 0.238 25515 10524 1 19 . 1 1 99 99 PHE C C 99 177.317 177.317 175.814 1.503 25515 10525 1 19 . 1 1 99 99 PHE CA C 99 57.993 57.993 59.066 -1.073 25515 10526 1 19 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.641 1.001 25515 10527 1 20 . 1 1 2 2 ALA HA H 2 4.291 4.291 4.351 -0.060 25515 10528 1 20 . 1 1 2 2 ALA C C 2 175.019 175.019 177.178 -2.159 25515 10529 1 20 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.839 0.732 25515 10530 1 20 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.346 -0.227 25515 10531 1 20 . 1 1 3 3 ASP N N 3 120.192 120.192 121.356 -1.164 25515 10532 1 20 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.616 -0.131 25515 10533 1 20 . 1 1 3 3 ASP C C 3 175.549 175.549 175.642 -0.093 25515 10534 1 20 . 1 1 3 3 ASP CA C 3 54.252 54.252 53.773 0.479 25515 10535 1 20 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.735 -0.503 25515 10536 1 20 . 1 1 3 3 ASP H H 3 8.336 8.336 8.474 -0.138 25515 10537 1 20 . 1 1 4 4 GLN N N 4 121.286 121.286 121.436 -0.150 25515 10538 1 20 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.679 -0.477 25515 10539 1 20 . 1 1 4 4 GLN C C 4 175.579 175.579 175.680 -0.101 25515 10540 1 20 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.291 1.035 25515 10541 1 20 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.829 -0.713 25515 10542 1 20 . 1 1 4 4 GLN H H 4 8.404 8.404 8.589 -0.185 25515 10543 1 20 . 1 1 5 5 ARG N N 5 121.138 121.138 123.633 -2.495 25515 10544 1 20 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.490 -0.326 25515 10545 1 20 . 1 1 5 5 ARG C C 5 175.327 175.327 176.795 -1.468 25515 10546 1 20 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.479 0.297 25515 10547 1 20 . 1 1 5 5 ARG CB C 5 30.511 30.511 31.122 -0.611 25515 10548 1 20 . 1 1 5 5 ARG H H 5 8.281 8.281 8.789 -0.508 25515 10549 1 20 . 1 1 6 6 GLN N N 6 120.348 120.348 118.978 1.370 25515 10550 1 20 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.362 -0.173 25515 10551 1 20 . 1 1 6 6 GLN C C 6 175.838 175.838 175.331 0.507 25515 10552 1 20 . 1 1 6 6 GLN CA C 6 56.208 56.208 56.232 -0.024 25515 10553 1 20 . 1 1 6 6 GLN CB C 6 29.131 29.131 27.142 1.988 25515 10554 1 20 . 1 1 6 6 GLN H H 6 8.253 8.253 8.277 -0.024 25515 10555 1 20 . 1 1 7 7 ARG N N 7 121.761 121.761 120.332 1.429 25515 10556 1 20 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.308 -0.067 25515 10557 1 20 . 1 1 7 7 ARG C C 7 175.708 175.708 177.795 -2.087 25515 10558 1 20 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.361 -2.025 25515 10559 1 20 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.475 0.296 25515 10560 1 20 . 1 1 7 7 ARG H H 7 8.211 8.211 7.699 0.512 25515 10561 1 20 . 1 1 8 8 SER N N 8 116.450 116.450 114.794 1.656 25515 10562 1 20 . 1 1 8 8 SER HA H 8 4.384 4.384 4.482 -0.098 25515 10563 1 20 . 1 1 8 8 SER C C 8 177.569 177.569 175.831 1.738 25515 10564 1 20 . 1 1 8 8 SER CA C 8 58.298 58.298 59.971 -1.673 25515 10565 1 20 . 1 1 8 8 SER CB C 8 63.786 63.786 62.984 0.802 25515 10566 1 20 . 1 1 8 8 SER H H 8 8.220 8.220 8.444 -0.224 25515 10567 1 20 . 1 1 9 9 LEU N N 9 123.709 123.709 117.863 5.846 25515 10568 1 20 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.319 0.035 25515 10569 1 20 . 1 1 9 9 LEU C C 9 174.915 174.915 177.897 -2.982 25515 10570 1 20 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.053 -1.077 25515 10571 1 20 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.718 0.960 25515 10572 1 20 . 1 1 9 9 LEU H H 9 8.091 8.091 7.878 0.213 25515 10573 1 20 . 1 1 10 10 SER N N 10 115.478 115.478 114.267 1.211 25515 10574 1 20 . 1 1 10 10 SER HA H 10 4.561 4.561 4.475 0.086 25515 10575 1 20 . 1 1 10 10 SER C C 10 177.096 177.096 174.939 2.157 25515 10576 1 20 . 1 1 10 10 SER CA C 10 58.016 58.016 60.051 -2.035 25515 10577 1 20 . 1 1 10 10 SER CB C 10 64.062 64.062 64.031 0.031 25515 10578 1 20 . 1 1 10 10 SER H H 10 8.187 8.187 7.993 0.194 25515 10579 1 20 . 1 1 11 11 THR N N 11 114.393 114.393 115.845 -1.452 25515 10580 1 20 . 1 1 11 11 THR HA H 11 4.516 4.516 4.471 0.045 25515 10581 1 20 . 1 1 11 11 THR C C 11 177.232 177.232 174.395 2.837 25515 10582 1 20 . 1 1 11 11 THR CA C 11 61.740 61.740 61.590 0.150 25515 10583 1 20 . 1 1 11 11 THR CB C 11 69.478 69.478 68.418 1.060 25515 10584 1 20 . 1 1 11 11 THR H H 11 8.180 8.180 7.589 0.591 25515 10585 1 20 . 1 1 12 12 SER N N 12 117.125 117.125 121.015 -3.890 25515 10586 1 20 . 1 1 12 12 SER HA H 12 4.391 4.391 4.566 -0.175 25515 10587 1 20 . 1 1 12 12 SER C C 12 176.856 176.856 175.478 1.378 25515 10588 1 20 . 1 1 12 12 SER CA C 12 58.537 58.537 58.466 0.071 25515 10589 1 20 . 1 1 12 12 SER CB C 12 63.915 63.915 63.831 0.084 25515 10590 1 20 . 1 1 12 12 SER H H 12 8.171 8.171 8.364 -0.193 25515 10591 1 20 . 1 1 13 13 GLY N N 13 111.544 111.544 109.360 2.184 25515 10592 1 20 . 1 1 13 13 GLY C C 13 178.243 178.243 173.941 4.302 25515 10593 1 20 . 1 1 13 13 GLY CA C 13 45.480 45.480 44.688 0.792 25515 10594 1 20 . 1 1 13 13 GLY H H 13 8.381 8.381 8.589 -0.208 25515 10595 1 20 . 1 1 14 14 GLU N N 14 119.223 119.223 120.479 -1.256 25515 10596 1 20 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.816 -0.376 25515 10597 1 20 . 1 1 14 14 GLU C C 14 174.876 174.876 175.887 -1.011 25515 10598 1 20 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.821 0.603 25515 10599 1 20 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.483 -0.505 25515 10600 1 20 . 1 1 14 14 GLU H H 14 8.149 8.149 7.605 0.544 25515 10601 1 20 . 1 1 15 15 SER N N 15 117.752 117.752 117.040 0.712 25515 10602 1 20 . 1 1 15 15 SER H H 15 8.437 8.437 9.179 -0.742 25515 10603 1 20 . 1 1 16 16 LEU N N 16 121.072 121.072 120.954 0.118 25515 10604 1 20 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.069 -0.208 25515 10605 1 20 . 1 1 16 16 LEU C C 16 174.423 174.423 178.786 -4.363 25515 10606 1 20 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.657 -0.233 25515 10607 1 20 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.140 0.536 25515 10608 1 20 . 1 1 16 16 LEU H H 16 8.233 8.233 8.185 0.048 25515 10609 1 20 . 1 1 17 17 TYR N N 17 111.961 111.961 115.867 -3.906 25515 10610 1 20 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.042 -0.380 25515 10611 1 20 . 1 1 17 17 TYR C C 17 173.256 173.256 177.857 -4.601 25515 10612 1 20 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.535 -0.669 25515 10613 1 20 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.684 -0.277 25515 10614 1 20 . 1 1 17 17 TYR H H 17 6.929 6.929 8.000 -1.071 25515 10615 1 20 . 1 1 18 18 HIS N N 18 119.254 119.254 115.606 3.648 25515 10616 1 20 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.372 0.067 25515 10617 1 20 . 1 1 18 18 HIS CA C 18 58.914 58.914 58.867 0.047 25515 10618 1 20 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.095 -0.480 25515 10619 1 20 . 1 1 18 18 HIS H H 18 7.672 7.672 8.260 -0.588 25515 10620 1 20 . 1 1 19 19 VAL N N 19 120.746 120.746 117.387 3.359 25515 10621 1 20 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.876 -0.171 25515 10622 1 20 . 1 1 19 19 VAL C C 19 175.643 175.643 176.653 -1.010 25515 10623 1 20 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.622 -0.089 25515 10624 1 20 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.407 0.058 25515 10625 1 20 . 1 1 19 19 VAL H H 19 7.883 7.883 7.543 0.340 25515 10626 1 20 . 1 1 20 20 LEU N N 20 114.576 114.576 117.664 -3.088 25515 10627 1 20 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.403 -0.042 25515 10628 1 20 . 1 1 20 20 LEU C C 20 175.746 175.746 176.862 -1.116 25515 10629 1 20 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.686 -1.405 25515 10630 1 20 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.207 0.693 25515 10631 1 20 . 1 1 20 20 LEU H H 20 6.626 6.626 7.190 -0.564 25515 10632 1 20 . 1 1 21 21 GLY N N 21 109.239 109.239 106.986 2.253 25515 10633 1 20 . 1 1 21 21 GLY C C 21 177.637 177.637 174.556 3.081 25515 10634 1 20 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.857 0.426 25515 10635 1 20 . 1 1 21 21 GLY H H 21 7.991 7.991 7.502 0.489 25515 10636 1 20 . 1 1 22 22 LEU N N 22 119.495 119.495 116.147 3.348 25515 10637 1 20 . 1 1 22 22 LEU HA H 22 4.767 4.767 5.020 -0.253 25515 10638 1 20 . 1 1 22 22 LEU C C 22 177.306 177.306 175.383 1.923 25515 10639 1 20 . 1 1 22 22 LEU CA C 22 52.882 52.882 52.983 -0.101 25515 10640 1 20 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.837 2.070 25515 10641 1 20 . 1 1 22 22 LEU H H 22 7.765 7.765 7.670 0.095 25515 10642 1 20 . 1 1 23 23 ASP N N 23 118.518 118.518 117.928 0.590 25515 10643 1 20 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.771 -0.182 25515 10644 1 20 . 1 1 23 23 ASP C C 23 176.597 176.597 177.134 -0.537 25515 10645 1 20 . 1 1 23 23 ASP CA C 23 52.031 52.031 52.633 -0.602 25515 10646 1 20 . 1 1 23 23 ASP CB C 23 43.481 43.481 43.061 0.420 25515 10647 1 20 . 1 1 23 23 ASP H H 23 7.977 7.977 8.399 -0.422 25515 10648 1 20 . 1 1 24 24 LYS N N 24 115.499 115.499 119.849 -4.350 25515 10649 1 20 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.838 -1.686 25515 10650 1 20 . 1 1 24 24 LYS C C 24 176.231 176.231 175.766 0.465 25515 10651 1 20 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.234 -0.167 25515 10652 1 20 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.933 0.429 25515 10653 1 20 . 1 1 24 24 LYS H H 24 7.811 7.811 8.347 -0.536 25515 10654 1 20 . 1 1 25 25 ASN N N 25 115.622 115.622 116.225 -0.603 25515 10655 1 20 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.762 -0.237 25515 10656 1 20 . 1 1 25 25 ASN C C 25 176.698 176.698 174.756 1.942 25515 10657 1 20 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.688 0.185 25515 10658 1 20 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.165 -1.091 25515 10659 1 20 . 1 1 25 25 ASN H H 25 7.817 7.817 7.868 -0.051 25515 10660 1 20 . 1 1 26 26 ALA N N 26 122.970 122.970 123.244 -0.274 25515 10661 1 20 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.379 -0.020 25515 10662 1 20 . 1 1 26 26 ALA C C 26 173.847 173.847 176.664 -2.817 25515 10663 1 20 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.128 0.789 25515 10664 1 20 . 1 1 26 26 ALA CB C 26 20.967 20.967 20.020 0.947 25515 10665 1 20 . 1 1 26 26 ALA H H 26 7.646 7.646 7.390 0.256 25515 10666 1 20 . 1 1 27 27 THR N N 27 113.252 113.252 114.254 -1.002 25515 10667 1 20 . 1 1 27 27 THR HA H 27 4.657 4.657 4.518 0.139 25515 10668 1 20 . 1 1 27 27 THR C C 27 175.986 175.986 176.047 -0.061 25515 10669 1 20 . 1 1 27 27 THR CA C 27 60.427 60.427 59.792 0.635 25515 10670 1 20 . 1 1 27 27 THR CB C 27 71.702 71.702 71.372 0.330 25515 10671 1 20 . 1 1 27 27 THR H H 27 9.089 9.089 8.201 0.888 25515 10672 1 20 . 1 1 28 28 SER N N 28 115.961 115.961 117.648 -1.687 25515 10673 1 20 . 1 1 28 28 SER HA H 28 3.930 3.930 4.094 -0.164 25515 10674 1 20 . 1 1 28 28 SER C C 28 175.440 175.440 176.143 -0.703 25515 10675 1 20 . 1 1 28 28 SER CA C 28 62.515 62.515 62.881 -0.366 25515 10676 1 20 . 1 1 28 28 SER CB C 28 62.713 62.713 63.165 -0.452 25515 10677 1 20 . 1 1 28 28 SER H H 28 9.095 9.095 8.869 0.226 25515 10678 1 20 . 1 1 29 29 ASP N N 29 119.797 119.797 121.639 -1.842 25515 10679 1 20 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.405 -0.002 25515 10680 1 20 . 1 1 29 29 ASP C C 29 173.862 173.862 178.305 -4.443 25515 10681 1 20 . 1 1 29 29 ASP CA C 29 57.783 57.783 58.222 -0.439 25515 10682 1 20 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.462 0.589 25515 10683 1 20 . 1 1 29 29 ASP H H 29 8.122 8.122 8.303 -0.181 25515 10684 1 20 . 1 1 30 30 ASP N N 30 120.847 120.847 119.771 1.076 25515 10685 1 20 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.450 -0.103 25515 10686 1 20 . 1 1 30 30 ASP C C 30 172.627 172.627 178.650 -6.023 25515 10687 1 20 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.423 0.266 25515 10688 1 20 . 1 1 30 30 ASP CB C 30 40.982 40.982 40.994 -0.012 25515 10689 1 20 . 1 1 30 30 ASP H H 30 7.851 7.851 7.587 0.264 25515 10690 1 20 . 1 1 31 31 ILE N N 31 121.776 121.776 120.746 1.030 25515 10691 1 20 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.685 -0.169 25515 10692 1 20 . 1 1 31 31 ILE C C 31 174.709 174.709 178.039 -3.330 25515 10693 1 20 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.430 0.056 25515 10694 1 20 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.992 0.249 25515 10695 1 20 . 1 1 31 31 ILE H H 31 8.122 8.122 8.244 -0.122 25515 10696 1 20 . 1 1 32 32 LYS N N 32 119.510 119.510 119.766 -0.256 25515 10697 1 20 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.177 -0.100 25515 10698 1 20 . 1 1 32 32 LYS C C 32 172.959 172.959 179.210 -6.251 25515 10699 1 20 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.658 1.177 25515 10700 1 20 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.477 0.027 25515 10701 1 20 . 1 1 32 32 LYS H H 32 8.172 8.172 8.206 -0.034 25515 10702 1 20 . 1 1 33 33 LYS N N 33 119.042 119.042 120.347 -1.305 25515 10703 1 20 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.066 -0.098 25515 10704 1 20 . 1 1 33 33 LYS C C 33 172.323 172.323 179.055 -6.732 25515 10705 1 20 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.561 0.445 25515 10706 1 20 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.424 0.289 25515 10707 1 20 . 1 1 33 33 LYS H H 33 8.342 8.342 8.335 0.007 25515 10708 1 20 . 1 1 34 34 SER N N 34 115.060 115.060 115.939 -0.879 25515 10709 1 20 . 1 1 34 34 SER HA H 34 4.260 4.260 4.166 0.094 25515 10710 1 20 . 1 1 34 34 SER C C 34 175.503 175.503 176.406 -0.903 25515 10711 1 20 . 1 1 34 34 SER CA C 34 61.734 61.734 61.902 -0.168 25515 10712 1 20 . 1 1 34 34 SER CB C 34 63.088 63.088 63.032 0.056 25515 10713 1 20 . 1 1 34 34 SER H H 34 8.161 8.161 8.176 -0.015 25515 10714 1 20 . 1 1 35 35 TYR N N 35 119.241 119.241 122.291 -3.050 25515 10715 1 20 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.056 -0.182 25515 10716 1 20 . 1 1 35 35 TYR C C 35 176.352 176.352 176.899 -0.547 25515 10717 1 20 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.303 0.566 25515 10718 1 20 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.294 0.496 25515 10719 1 20 . 1 1 35 35 TYR H H 35 8.499 8.499 8.066 0.433 25515 10720 1 20 . 1 1 36 36 ARG N N 36 116.674 116.674 117.802 -1.128 25515 10721 1 20 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.606 -0.153 25515 10722 1 20 . 1 1 36 36 ARG C C 36 173.135 173.135 178.481 -5.346 25515 10723 1 20 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.456 1.154 25515 10724 1 20 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.457 0.422 25515 10725 1 20 . 1 1 36 36 ARG H H 36 7.967 7.967 7.811 0.156 25515 10726 1 20 . 1 1 37 37 LYS N N 37 116.974 116.974 118.982 -2.008 25515 10727 1 20 . 1 1 37 37 LYS HA H 37 3.970 3.970 4.008 -0.038 25515 10728 1 20 . 1 1 37 37 LYS C C 37 172.489 172.489 179.562 -7.073 25515 10729 1 20 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.170 0.207 25515 10730 1 20 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.056 0.701 25515 10731 1 20 . 1 1 37 37 LYS H H 37 7.275 7.275 7.811 -0.536 25515 10732 1 20 . 1 1 38 38 LEU N N 38 120.978 120.978 118.453 2.525 25515 10733 1 20 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.348 -0.325 25515 10734 1 20 . 1 1 38 38 LEU C C 38 173.557 173.557 178.568 -5.011 25515 10735 1 20 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.285 1.119 25515 10736 1 20 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.136 0.232 25515 10737 1 20 . 1 1 38 38 LEU H H 38 8.268 8.268 7.677 0.591 25515 10738 1 20 . 1 1 39 39 ALA N N 39 122.700 122.700 123.104 -0.404 25515 10739 1 20 . 1 1 39 39 ALA HA H 39 3.885 3.885 4.099 -0.214 25515 10740 1 20 . 1 1 39 39 ALA C C 39 172.721 172.721 179.398 -6.677 25515 10741 1 20 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.508 -0.068 25515 10742 1 20 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.406 -1.456 25515 10743 1 20 . 1 1 39 39 ALA H H 39 9.043 9.043 8.012 1.031 25515 10744 1 20 . 1 1 40 40 LEU N N 40 114.462 114.462 114.283 0.179 25515 10745 1 20 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.195 -0.163 25515 10746 1 20 . 1 1 40 40 LEU C C 40 173.110 173.110 179.340 -6.230 25515 10747 1 20 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.951 0.358 25515 10748 1 20 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.245 1.789 25515 10749 1 20 . 1 1 40 40 LEU H H 40 6.862 6.862 7.639 -0.777 25515 10750 1 20 . 1 1 41 41 LYS N N 41 118.126 118.126 121.210 -3.084 25515 10751 1 20 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.840 0.002 25515 10752 1 20 . 1 1 41 41 LYS C C 41 173.695 173.695 177.563 -3.868 25515 10753 1 20 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.082 -0.340 25515 10754 1 20 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.433 0.554 25515 10755 1 20 . 1 1 41 41 LYS H H 41 7.135 7.135 7.943 -0.808 25515 10756 1 20 . 1 1 42 42 TYR N N 42 113.902 113.902 113.261 0.641 25515 10757 1 20 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.702 -0.212 25515 10758 1 20 . 1 1 42 42 TYR C C 42 178.884 178.884 174.787 4.097 25515 10759 1 20 . 1 1 42 42 TYR CA C 42 58.013 58.013 56.900 1.113 25515 10760 1 20 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.341 0.169 25515 10761 1 20 . 1 1 42 42 TYR H H 42 7.756 7.756 7.701 0.055 25515 10762 1 20 . 1 1 43 43 HIS N N 43 120.909 120.909 122.806 -1.897 25515 10763 1 20 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.303 -0.831 25515 10764 1 20 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.472 0.427 25515 10765 1 20 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.408 -0.283 25515 10766 1 20 . 1 1 43 43 HIS H H 43 7.134 7.134 7.580 -0.446 25515 10767 1 20 . 1 1 44 44 PRO HA H 44 3.998 3.998 3.876 0.122 25515 10768 1 20 . 1 1 44 44 PRO C C 44 172.774 172.774 178.232 -5.458 25515 10769 1 20 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.853 -0.248 25515 10770 1 20 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.369 0.241 25515 10771 1 20 . 1 1 45 45 ASP N N 45 121.379 121.379 114.396 6.983 25515 10772 1 20 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.503 -0.146 25515 10773 1 20 . 1 1 45 45 ASP C C 45 173.968 173.968 177.021 -3.053 25515 10774 1 20 . 1 1 45 45 ASP CA C 45 56.771 56.771 54.436 2.335 25515 10775 1 20 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.735 -0.612 25515 10776 1 20 . 1 1 45 45 ASP H H 45 10.727 10.727 8.257 2.470 25515 10777 1 20 . 1 1 46 46 LYS N N 46 115.902 115.902 117.667 -1.765 25515 10778 1 20 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.211 0.147 25515 10779 1 20 . 1 1 46 46 LYS C C 46 176.450 176.450 176.590 -0.140 25515 10780 1 20 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.118 -1.344 25515 10781 1 20 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.235 0.954 25515 10782 1 20 . 1 1 46 46 LYS H H 46 7.475 7.475 8.113 -0.638 25515 10783 1 20 . 1 1 47 47 ASN N N 47 117.709 117.709 120.318 -2.609 25515 10784 1 20 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.038 0.112 25515 10785 1 20 . 1 1 47 47 ASN C C 47 170.657 170.657 173.795 -3.138 25515 10786 1 20 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.322 0.218 25515 10787 1 20 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.084 2.472 25515 10788 1 20 . 1 1 47 47 ASN H H 47 7.410 7.410 7.485 -0.075 25515 10789 1 20 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.536 -0.170 25515 10790 1 20 . 1 1 48 48 PRO C C 48 174.739 174.739 176.493 -1.754 25515 10791 1 20 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.416 1.696 25515 10792 1 20 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.541 -1.017 25515 10793 1 20 . 1 1 49 49 ASP N N 49 117.619 117.619 117.222 0.397 25515 10794 1 20 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.494 -0.117 25515 10795 1 20 . 1 1 49 49 ASP C C 49 177.335 177.335 176.167 1.168 25515 10796 1 20 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.221 -0.636 25515 10797 1 20 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.966 -0.712 25515 10798 1 20 . 1 1 49 49 ASP H H 49 8.679 8.679 8.288 0.391 25515 10799 1 20 . 1 1 50 50 ASN N N 50 114.537 114.537 118.031 -3.494 25515 10800 1 20 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.787 0.413 25515 10801 1 20 . 1 1 50 50 ASN C C 50 178.245 178.245 174.283 3.962 25515 10802 1 20 . 1 1 50 50 ASN CA C 50 50.135 50.135 51.771 -1.636 25515 10803 1 20 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.827 0.749 25515 10804 1 20 . 1 1 50 50 ASN H H 50 7.341 7.341 8.232 -0.891 25515 10805 1 20 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.566 -0.202 25515 10806 1 20 . 1 1 51 51 PRO C C 51 173.714 173.714 177.689 -3.975 25515 10807 1 20 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.150 1.468 25515 10808 1 20 . 1 1 51 51 PRO CB C 51 32.101 32.101 31.936 0.165 25515 10809 1 20 . 1 1 52 52 GLU N N 52 118.597 118.597 121.241 -2.644 25515 10810 1 20 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.063 0.125 25515 10811 1 20 . 1 1 52 52 GLU C C 52 173.216 173.216 177.725 -4.509 25515 10812 1 20 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.165 -1.215 25515 10813 1 20 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.358 -0.159 25515 10814 1 20 . 1 1 52 52 GLU H H 52 8.048 8.048 8.781 -0.733 25515 10815 1 20 . 1 1 53 53 ALA N N 53 122.149 122.149 121.028 1.121 25515 10816 1 20 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.208 -0.234 25515 10817 1 20 . 1 1 53 53 ALA C C 53 173.485 173.485 179.345 -5.860 25515 10818 1 20 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.981 0.090 25515 10819 1 20 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.196 -0.419 25515 10820 1 20 . 1 1 53 53 ALA H H 53 7.606 7.606 7.890 -0.284 25515 10821 1 20 . 1 1 54 54 ALA N N 54 119.475 119.475 120.939 -1.464 25515 10822 1 20 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.135 0.092 25515 10823 1 20 . 1 1 54 54 ALA C C 54 171.125 171.125 179.279 -8.154 25515 10824 1 20 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.749 0.422 25515 10825 1 20 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.404 -0.557 25515 10826 1 20 . 1 1 54 54 ALA H H 54 7.680 7.680 8.035 -0.355 25515 10827 1 20 . 1 1 55 55 ASP N N 55 120.134 120.134 119.396 0.738 25515 10828 1 20 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.368 0.053 25515 10829 1 20 . 1 1 55 55 ASP C C 55 173.088 173.088 178.598 -5.510 25515 10830 1 20 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.796 -0.390 25515 10831 1 20 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.929 -0.600 25515 10832 1 20 . 1 1 55 55 ASP H H 55 7.983 7.983 8.298 -0.315 25515 10833 1 20 . 1 1 56 56 LYS N N 56 120.915 120.915 119.567 1.348 25515 10834 1 20 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.848 0.062 25515 10835 1 20 . 1 1 56 56 LYS C C 56 173.210 173.210 178.764 -5.554 25515 10836 1 20 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.721 -0.240 25515 10837 1 20 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.508 -0.600 25515 10838 1 20 . 1 1 56 56 LYS H H 56 7.758 7.758 7.884 -0.126 25515 10839 1 20 . 1 1 57 57 PHE N N 57 120.024 120.024 120.128 -0.104 25515 10840 1 20 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.078 -0.073 25515 10841 1 20 . 1 1 57 57 PHE C C 57 174.430 174.430 177.176 -2.746 25515 10842 1 20 . 1 1 57 57 PHE CA C 57 61.540 61.540 61.796 -0.256 25515 10843 1 20 . 1 1 57 57 PHE CB C 57 39.088 39.088 39.046 0.042 25515 10844 1 20 . 1 1 57 57 PHE H H 57 8.861 8.861 8.726 0.135 25515 10845 1 20 . 1 1 58 58 LYS N N 58 119.306 119.306 120.172 -0.866 25515 10846 1 20 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.842 0.111 25515 10847 1 20 . 1 1 58 58 LYS C C 58 172.875 172.875 178.589 -5.714 25515 10848 1 20 . 1 1 58 58 LYS CA C 58 59.861 59.861 59.977 -0.116 25515 10849 1 20 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.428 -0.119 25515 10850 1 20 . 1 1 58 58 LYS H H 58 7.846 7.846 8.425 -0.579 25515 10851 1 20 . 1 1 59 59 GLU N N 59 119.732 119.732 117.829 1.903 25515 10852 1 20 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.116 -0.067 25515 10853 1 20 . 1 1 59 59 GLU C C 59 171.935 171.935 178.995 -7.060 25515 10854 1 20 . 1 1 59 59 GLU CA C 59 59.473 59.473 58.881 0.592 25515 10855 1 20 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.218 0.609 25515 10856 1 20 . 1 1 59 59 GLU H H 59 7.732 7.732 8.062 -0.330 25515 10857 1 20 . 1 1 60 60 ILE N N 60 119.074 119.074 121.643 -2.569 25515 10858 1 20 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.643 0.045 25515 10859 1 20 . 1 1 60 60 ILE C C 60 174.424 174.424 177.850 -3.426 25515 10860 1 20 . 1 1 60 60 ILE CA C 60 65.274 65.274 65.752 -0.478 25515 10861 1 20 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.703 0.744 25515 10862 1 20 . 1 1 60 60 ILE H H 60 8.429 8.429 8.065 0.364 25515 10863 1 20 . 1 1 61 61 ASN N N 61 120.038 120.038 116.513 3.525 25515 10864 1 20 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.125 0.176 25515 10865 1 20 . 1 1 61 61 ASN C C 61 174.271 174.271 176.641 -2.370 25515 10866 1 20 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.324 1.232 25515 10867 1 20 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.274 0.009 25515 10868 1 20 . 1 1 61 61 ASN H H 61 8.025 8.025 8.414 -0.389 25515 10869 1 20 . 1 1 62 62 ASN N N 62 119.502 119.502 118.551 0.951 25515 10870 1 20 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.544 -0.234 25515 10871 1 20 . 1 1 62 62 ASN C C 62 176.042 176.042 177.027 -0.985 25515 10872 1 20 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.156 0.392 25515 10873 1 20 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.704 0.017 25515 10874 1 20 . 1 1 62 62 ASN H H 62 8.042 8.042 7.647 0.395 25515 10875 1 20 . 1 1 63 63 ALA N N 63 119.769 119.769 122.469 -2.700 25515 10876 1 20 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.758 -0.072 25515 10877 1 20 . 1 1 63 63 ALA C C 63 173.564 173.564 179.135 -5.571 25515 10878 1 20 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.871 0.669 25515 10879 1 20 . 1 1 63 63 ALA CB C 63 18.506 18.506 18.138 0.368 25515 10880 1 20 . 1 1 63 63 ALA H H 63 7.944 7.944 8.434 -0.490 25515 10881 1 20 . 1 1 64 64 HIS N N 64 115.292 115.292 116.708 -1.416 25515 10882 1 20 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.111 -0.584 25515 10883 1 20 . 1 1 64 64 HIS CA C 64 60.384 60.384 58.242 2.142 25515 10884 1 20 . 1 1 64 64 HIS CB C 64 29.935 29.935 28.730 1.206 25515 10885 1 20 . 1 1 64 64 HIS H H 64 8.055 8.055 7.930 0.125 25515 10886 1 20 . 1 1 65 65 ALA N N 65 122.093 122.093 120.287 1.806 25515 10887 1 20 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.881 -0.375 25515 10888 1 20 . 1 1 65 65 ALA C C 65 172.454 172.454 178.746 -6.292 25515 10889 1 20 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.330 1.661 25515 10890 1 20 . 1 1 65 65 ALA CB C 65 18.138 18.138 18.703 -0.564 25515 10891 1 20 . 1 1 65 65 ALA H H 65 7.944 7.944 6.621 1.323 25515 10892 1 20 . 1 1 66 66 ILE N N 66 115.954 115.954 118.745 -2.791 25515 10893 1 20 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.606 -0.148 25515 10894 1 20 . 1 1 66 66 ILE C C 66 175.394 175.394 178.228 -2.834 25515 10895 1 20 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.346 0.262 25515 10896 1 20 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.513 1.476 25515 10897 1 20 . 1 1 66 66 ILE H H 66 7.358 7.358 7.131 0.227 25515 10898 1 20 . 1 1 67 67 LEU N N 67 111.268 111.268 116.867 -5.599 25515 10899 1 20 . 1 1 67 67 LEU HA H 67 3.675 3.675 4.068 -0.393 25515 10900 1 20 . 1 1 67 67 LEU C C 67 174.490 174.490 178.805 -4.315 25515 10901 1 20 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.016 0.551 25515 10902 1 20 . 1 1 67 67 LEU CB C 67 42.054 42.054 39.468 2.586 25515 10903 1 20 . 1 1 67 67 LEU H H 67 7.743 7.743 7.721 0.022 25515 10904 1 20 . 1 1 68 68 THR N N 68 103.399 103.399 110.041 -6.642 25515 10905 1 20 . 1 1 68 68 THR HA H 68 4.023 4.023 4.244 -0.221 25515 10906 1 20 . 1 1 68 68 THR C C 68 178.796 178.796 173.166 5.630 25515 10907 1 20 . 1 1 68 68 THR CA C 68 61.672 61.672 62.070 -0.398 25515 10908 1 20 . 1 1 68 68 THR CB C 68 69.052 69.052 68.929 0.123 25515 10909 1 20 . 1 1 68 68 THR H H 68 7.104 7.104 7.330 -0.226 25515 10910 1 20 . 1 1 69 69 ASP N N 69 125.057 125.057 122.094 2.963 25515 10911 1 20 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.723 -0.022 25515 10912 1 20 . 1 1 69 69 ASP C C 69 177.204 177.204 175.982 1.222 25515 10913 1 20 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.550 0.208 25515 10914 1 20 . 1 1 69 69 ASP CB C 69 42.751 42.751 42.898 -0.147 25515 10915 1 20 . 1 1 69 69 ASP H H 69 7.076 7.076 7.366 -0.290 25515 10916 1 20 . 1 1 70 70 ALA N N 70 128.178 128.178 129.584 -1.406 25515 10917 1 20 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.073 -0.176 25515 10918 1 20 . 1 1 70 70 ALA C C 70 171.909 171.909 178.866 -6.957 25515 10919 1 20 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.937 0.889 25515 10920 1 20 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.680 -0.205 25515 10921 1 20 . 1 1 70 70 ALA H H 70 8.761 8.761 8.869 -0.108 25515 10922 1 20 . 1 1 71 71 THR N N 71 113.629 113.629 115.016 -1.387 25515 10923 1 20 . 1 1 71 71 THR HA H 71 3.981 3.981 4.145 -0.164 25515 10924 1 20 . 1 1 71 71 THR C C 71 175.038 175.038 176.445 -1.407 25515 10925 1 20 . 1 1 71 71 THR CA C 71 66.164 66.164 66.545 -0.381 25515 10926 1 20 . 1 1 71 71 THR CB C 71 68.319 68.319 68.840 -0.521 25515 10927 1 20 . 1 1 71 71 THR H H 71 7.957 7.957 8.125 -0.168 25515 10928 1 20 . 1 1 72 72 LYS N N 72 122.501 122.501 121.470 1.031 25515 10929 1 20 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.073 -0.263 25515 10930 1 20 . 1 1 72 72 LYS C C 72 173.814 173.814 179.043 -5.229 25515 10931 1 20 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.668 0.623 25515 10932 1 20 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.268 0.538 25515 10933 1 20 . 1 1 72 72 LYS H H 72 8.309 8.309 8.698 -0.389 25515 10934 1 20 . 1 1 73 73 ARG N N 73 120.595 120.595 117.089 3.506 25515 10935 1 20 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.208 -0.605 25515 10936 1 20 . 1 1 73 73 ARG C C 73 174.477 174.477 177.927 -3.450 25515 10937 1 20 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.578 2.252 25515 10938 1 20 . 1 1 73 73 ARG H H 73 9.258 9.258 8.086 1.172 25515 10939 1 20 . 1 1 74 74 ASN N N 74 115.425 115.425 120.154 -4.729 25515 10940 1 20 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.536 -0.105 25515 10941 1 20 . 1 1 74 74 ASN C C 74 174.296 174.296 177.762 -3.466 25515 10942 1 20 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.553 0.157 25515 10943 1 20 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.513 0.217 25515 10944 1 20 . 1 1 74 74 ASN H H 74 7.534 7.534 7.640 -0.106 25515 10945 1 20 . 1 1 75 75 ILE N N 75 119.020 119.020 118.771 0.249 25515 10946 1 20 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.839 -0.206 25515 10947 1 20 . 1 1 75 75 ILE C C 75 174.667 174.667 177.280 -2.613 25515 10948 1 20 . 1 1 75 75 ILE CA C 75 65.505 65.505 64.145 1.359 25515 10949 1 20 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.320 1.905 25515 10950 1 20 . 1 1 75 75 ILE H H 75 7.656 7.656 8.215 -0.559 25515 10951 1 20 . 1 1 76 76 TYR N N 76 121.913 121.913 122.441 -0.528 25515 10952 1 20 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.017 -0.002 25515 10953 1 20 . 1 1 76 76 TYR C C 76 173.323 173.323 177.325 -4.002 25515 10954 1 20 . 1 1 76 76 TYR CA C 76 61.547 61.547 62.092 -0.545 25515 10955 1 20 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.208 0.545 25515 10956 1 20 . 1 1 76 76 TYR H H 76 8.894 8.894 7.824 1.070 25515 10957 1 20 . 1 1 77 77 ASP N N 77 120.151 120.151 117.344 2.807 25515 10958 1 20 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.176 0.161 25515 10959 1 20 . 1 1 77 77 ASP C C 77 174.321 174.321 177.722 -3.401 25515 10960 1 20 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.965 0.954 25515 10961 1 20 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.038 -1.052 25515 10962 1 20 . 1 1 77 77 ASP H H 77 9.151 9.151 7.926 1.225 25515 10963 1 20 . 1 1 78 78 LYS N N 78 117.659 117.659 119.140 -1.481 25515 10964 1 20 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.886 0.041 25515 10965 1 20 . 1 1 78 78 LYS C C 78 174.237 174.237 177.330 -3.093 25515 10966 1 20 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.464 -0.051 25515 10967 1 20 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.744 0.898 25515 10968 1 20 . 1 1 78 78 LYS H H 78 7.378 7.378 8.010 -0.632 25515 10969 1 20 . 1 1 79 79 TYR N N 79 115.151 115.151 114.343 0.808 25515 10970 1 20 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.596 0.025 25515 10971 1 20 . 1 1 79 79 TYR C C 79 175.424 175.424 177.651 -2.227 25515 10972 1 20 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.133 -2.560 25515 10973 1 20 . 1 1 79 79 TYR H H 79 8.505 8.505 8.280 0.225 25515 10974 1 20 . 1 1 80 80 GLY N N 80 110.813 110.813 107.641 3.172 25515 10975 1 20 . 1 1 80 80 GLY C C 80 177.481 177.481 176.334 1.147 25515 10976 1 20 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.785 -1.240 25515 10977 1 20 . 1 1 80 80 GLY H H 80 8.222 8.222 8.585 -0.363 25515 10978 1 20 . 1 1 81 81 SER N N 81 117.578 117.578 118.057 -0.479 25515 10979 1 20 . 1 1 81 81 SER C C 81 174.532 174.532 176.469 -1.937 25515 10980 1 20 . 1 1 81 81 SER CA C 81 61.579 61.579 61.188 0.391 25515 10981 1 20 . 1 1 81 81 SER H H 81 8.883 8.883 8.065 0.818 25515 10982 1 20 . 1 1 82 82 LEU N N 82 123.998 123.998 121.347 2.651 25515 10983 1 20 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.448 -0.177 25515 10984 1 20 . 1 1 82 82 LEU C C 82 173.400 173.400 178.550 -5.150 25515 10985 1 20 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.487 0.445 25515 10986 1 20 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.658 -0.271 25515 10987 1 20 . 1 1 82 82 LEU H H 82 8.920 8.920 8.081 0.839 25515 10988 1 20 . 1 1 83 83 GLY N N 83 105.677 105.677 107.201 -1.524 25515 10989 1 20 . 1 1 83 83 GLY C C 83 177.230 177.230 176.146 1.084 25515 10990 1 20 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.636 0.012 25515 10991 1 20 . 1 1 83 83 GLY H H 83 7.565 7.565 8.706 -1.141 25515 10992 1 20 . 1 1 84 84 LEU N N 84 119.542 119.542 122.024 -2.482 25515 10993 1 20 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.295 -0.236 25515 10994 1 20 . 1 1 84 84 LEU C C 84 173.036 173.036 177.999 -4.963 25515 10995 1 20 . 1 1 84 84 LEU CA C 84 57.433 57.433 56.746 0.687 25515 10996 1 20 . 1 1 84 84 LEU H H 84 7.495 7.495 7.688 -0.193 25515 10997 1 20 . 1 1 85 85 TYR N N 85 121.424 121.424 119.769 1.655 25515 10998 1 20 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.451 -0.193 25515 10999 1 20 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.370 0.600 25515 11000 1 20 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.475 -0.168 25515 11001 1 20 . 1 1 85 85 TYR H H 85 7.894 7.894 7.800 0.094 25515 11002 1 20 . 1 1 86 86 VAL N N 86 120.088 120.088 120.283 -0.195 25515 11003 1 20 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.179 0.097 25515 11004 1 20 . 1 1 86 86 VAL C C 86 174.300 174.300 177.067 -2.767 25515 11005 1 20 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.431 1.877 25515 11006 1 20 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.522 0.152 25515 11007 1 20 . 1 1 86 86 VAL H H 86 8.402 8.402 8.367 0.035 25515 11008 1 20 . 1 1 87 87 ALA N N 87 121.800 121.800 121.881 -0.081 25515 11009 1 20 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.105 -0.368 25515 11010 1 20 . 1 1 87 87 ALA C C 87 172.312 172.312 178.985 -6.673 25515 11011 1 20 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.291 -0.848 25515 11012 1 20 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.100 0.301 25515 11013 1 20 . 1 1 87 87 ALA H H 87 8.317 8.317 7.762 0.555 25515 11014 1 20 . 1 1 88 88 GLU N N 88 118.012 118.012 117.130 0.882 25515 11015 1 20 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.024 -0.149 25515 11016 1 20 . 1 1 88 88 GLU C C 88 174.071 174.071 178.765 -4.694 25515 11017 1 20 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.782 -0.016 25515 11018 1 20 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.470 0.079 25515 11019 1 20 . 1 1 88 88 GLU H H 88 7.777 7.777 7.713 0.064 25515 11020 1 20 . 1 1 89 89 GLN N N 89 116.164 116.164 116.569 -0.405 25515 11021 1 20 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.093 -0.382 25515 11022 1 20 . 1 1 89 89 GLN C C 89 174.572 174.572 177.526 -2.954 25515 11023 1 20 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.831 -0.786 25515 11024 1 20 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.355 -0.691 25515 11025 1 20 . 1 1 89 89 GLN H H 89 7.704 7.704 7.555 0.149 25515 11026 1 20 . 1 1 90 90 PHE N N 90 114.734 114.734 116.512 -1.778 25515 11027 1 20 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.534 0.176 25515 11028 1 20 . 1 1 90 90 PHE C C 90 175.715 175.715 175.625 0.090 25515 11029 1 20 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.196 -1.791 25515 11030 1 20 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.406 -0.203 25515 11031 1 20 . 1 1 90 90 PHE H H 90 8.241 8.241 8.466 -0.225 25515 11032 1 20 . 1 1 91 91 GLY N N 91 111.234 111.234 107.089 4.145 25515 11033 1 20 . 1 1 91 91 GLY C C 91 176.788 176.788 174.380 2.408 25515 11034 1 20 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.723 0.447 25515 11035 1 20 . 1 1 91 91 GLY H H 91 7.668 7.668 7.461 0.207 25515 11036 1 20 . 1 1 92 92 GLU N N 92 123.392 123.392 123.562 -0.170 25515 11037 1 20 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.941 -0.099 25515 11038 1 20 . 1 1 92 92 GLU C C 92 174.798 174.798 177.773 -2.975 25515 11039 1 20 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.711 -0.453 25515 11040 1 20 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.686 -0.068 25515 11041 1 20 . 1 1 92 92 GLU H H 92 8.793 8.793 8.832 -0.039 25515 11042 1 20 . 1 1 93 93 GLU N N 93 118.621 118.621 116.671 1.950 25515 11043 1 20 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.177 0.008 25515 11044 1 20 . 1 1 93 93 GLU C C 93 175.143 175.143 177.042 -1.899 25515 11045 1 20 . 1 1 93 93 GLU CA C 93 57.885 57.885 57.722 0.163 25515 11046 1 20 . 1 1 93 93 GLU CB C 93 29.067 29.067 28.810 0.257 25515 11047 1 20 . 1 1 93 93 GLU H H 93 9.356 9.356 8.668 0.688 25515 11048 1 20 . 1 1 94 94 ASN N N 94 116.563 116.563 117.872 -1.309 25515 11049 1 20 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.856 0.055 25515 11050 1 20 . 1 1 94 94 ASN C C 94 176.192 176.192 177.502 -1.310 25515 11051 1 20 . 1 1 94 94 ASN CA C 94 53.311 53.311 54.674 -1.363 25515 11052 1 20 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.710 0.034 25515 11053 1 20 . 1 1 94 94 ASN H H 94 7.881 7.881 7.747 0.134 25515 11054 1 20 . 1 1 95 95 VAL N N 95 119.858 119.858 119.424 0.434 25515 11055 1 20 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.640 0.100 25515 11056 1 20 . 1 1 95 95 VAL C C 95 175.715 175.715 176.817 -1.102 25515 11057 1 20 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.746 -1.248 25515 11058 1 20 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.097 0.869 25515 11059 1 20 . 1 1 95 95 VAL H H 95 7.405 7.405 8.555 -1.150 25515 11060 1 20 . 1 1 96 96 ASN N N 96 116.409 116.409 116.672 -0.263 25515 11061 1 20 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.547 -0.089 25515 11062 1 20 . 1 1 96 96 ASN C C 96 175.322 175.322 176.615 -1.293 25515 11063 1 20 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.836 -0.118 25515 11064 1 20 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.120 0.096 25515 11065 1 20 . 1 1 96 96 ASN H H 96 8.356 8.356 8.105 0.251 25515 11066 1 20 . 1 1 97 97 THR N N 97 111.266 111.266 114.421 -3.155 25515 11067 1 20 . 1 1 97 97 THR HA H 97 3.993 3.993 4.145 -0.152 25515 11068 1 20 . 1 1 97 97 THR C C 97 177.418 177.418 175.245 2.173 25515 11069 1 20 . 1 1 97 97 THR CA C 97 63.604 63.604 65.314 -1.710 25515 11070 1 20 . 1 1 97 97 THR CB C 97 69.162 69.162 68.960 0.202 25515 11071 1 20 . 1 1 97 97 THR H H 97 7.575 7.575 8.421 -0.846 25515 11072 1 20 . 1 1 98 98 TYR N N 98 119.963 119.963 120.071 -0.108 25515 11073 1 20 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.296 0.026 25515 11074 1 20 . 1 1 98 98 TYR CA C 98 59.198 59.198 60.329 -1.131 25515 11075 1 20 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.409 -0.165 25515 11076 1 20 . 1 1 98 98 TYR H H 98 7.480 7.480 7.856 -0.376 25515 11077 1 20 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.349 0.211 25515 11078 1 20 . 1 1 99 99 PHE C C 99 177.317 177.317 175.212 2.105 25515 11079 1 20 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.552 -0.559 25515 11080 1 20 . 1 1 99 99 PHE CB C 99 40.642 40.642 39.980 0.662 25515 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 93 2.471 0.210 2.475 25515 2 1 1 "Average Difference" HA 101 0.241 0.083 0.227 25515 3 1 1 "Average Difference" C 92 3.846 2.300 3.099 25515 4 1 1 "Average Difference" CA 97 1.066 0.066 1.069 25515 5 1 1 "Average Difference" CB 88 0.792 -0.230 0.762 25515 6 1 1 "Average Difference" HN 93 0.568 0.054 0.568 25515 7 1 2 "Average Difference" N 93 2.546 0.167 2.555 25515 8 1 2 "Average Difference" HA 101 0.268 0.094 0.252 25515 9 1 2 "Average Difference" C 92 3.847 2.277 3.117 25515 10 1 2 "Average Difference" CA 97 1.031 -0.023 1.036 25515 11 1 2 "Average Difference" CB 88 0.914 -0.229 0.890 25515 12 1 2 "Average Difference" HN 93 0.579 0.081 0.576 25515 13 1 3 "Average Difference" N 93 2.359 0.261 2.357 25515 14 1 3 "Average Difference" HA 101 0.270 0.107 0.249 25515 15 1 3 "Average Difference" C 92 3.853 2.300 3.108 25515 16 1 3 "Average Difference" CA 97 1.088 -0.039 1.092 25515 17 1 3 "Average Difference" CB 88 0.807 -0.192 0.788 25515 18 1 3 "Average Difference" HN 93 0.594 0.055 0.594 25515 19 1 4 "Average Difference" N 93 2.485 0.128 2.495 25515 20 1 4 "Average Difference" HA 101 0.262 0.099 0.244 25515 21 1 4 "Average Difference" C 92 3.817 2.212 3.128 25515 22 1 4 "Average Difference" CA 97 1.092 -0.057 1.096 25515 23 1 4 "Average Difference" CB 88 0.818 -0.174 0.804 25515 24 1 4 "Average Difference" HN 93 0.580 0.042 0.582 25515 25 1 5 "Average Difference" N 93 2.436 0.333 2.426 25515 26 1 5 "Average Difference" HA 101 0.242 0.086 0.228 25515 27 1 5 "Average Difference" C 92 3.825 2.273 3.093 25515 28 1 5 "Average Difference" CA 97 1.078 -0.043 1.083 25515 29 1 5 "Average Difference" CB 88 0.868 -0.217 0.845 25515 30 1 5 "Average Difference" HN 93 0.579 0.033 0.581 25515 31 1 6 "Average Difference" N 93 2.562 0.361 2.551 25515 32 1 6 "Average Difference" HA 101 0.235 0.088 0.219 25515 33 1 6 "Average Difference" C 92 3.820 2.269 3.090 25515 34 1 6 "Average Difference" CA 97 0.996 -0.019 1.001 25515 35 1 6 "Average Difference" CB 88 0.765 -0.209 0.741 25515 36 1 6 "Average Difference" HN 93 0.551 0.065 0.550 25515 37 1 7 "Average Difference" N 93 2.366 0.230 2.368 25515 38 1 7 "Average Difference" HA 101 0.263 0.100 0.244 25515 39 1 7 "Average Difference" C 92 3.813 2.223 3.115 25515 40 1 7 "Average Difference" CA 97 1.063 -0.029 1.068 25515 41 1 7 "Average Difference" CB 88 0.815 -0.191 0.797 25515 42 1 7 "Average Difference" HN 93 0.596 0.049 0.597 25515 43 1 8 "Average Difference" N 93 2.359 0.370 2.343 25515 44 1 8 "Average Difference" HA 101 0.249 0.088 0.234 25515 45 1 8 "Average Difference" C 92 3.825 2.313 3.063 25515 46 1 8 "Average Difference" CA 97 1.076 0.010 1.082 25515 47 1 8 "Average Difference" CB 88 0.838 -0.244 0.807 25515 48 1 8 "Average Difference" HN 93 0.596 0.069 0.595 25515 49 1 9 "Average Difference" N 93 2.476 0.337 2.467 25515 50 1 9 "Average Difference" HA 101 0.252 0.083 0.239 25515 51 1 9 "Average Difference" C 92 3.815 2.305 3.057 25515 52 1 9 "Average Difference" CA 97 1.100 0.054 1.105 25515 53 1 9 "Average Difference" CB 88 0.921 -0.179 0.908 25515 54 1 9 "Average Difference" HN 93 0.572 0.019 0.575 25515 55 1 10 "Average Difference" N 93 2.440 0.218 2.443 25515 56 1 10 "Average Difference" HA 101 0.252 0.106 0.230 25515 57 1 10 "Average Difference" C 92 3.813 2.231 3.109 25515 58 1 10 "Average Difference" CA 97 1.053 -0.105 1.053 25515 59 1 10 "Average Difference" CB 88 0.895 -0.192 0.879 25515 60 1 10 "Average Difference" HN 93 0.562 0.068 0.560 25515 61 1 11 "Average Difference" N 93 2.603 0.230 2.607 25515 62 1 11 "Average Difference" HA 101 0.262 0.099 0.243 25515 63 1 11 "Average Difference" C 92 3.809 2.239 3.099 25515 64 1 11 "Average Difference" CA 97 1.045 -0.077 1.048 25515 65 1 11 "Average Difference" CB 88 0.857 -0.225 0.831 25515 66 1 11 "Average Difference" HN 93 0.620 0.030 0.623 25515 67 1 12 "Average Difference" N 93 2.516 0.159 2.524 25515 68 1 12 "Average Difference" HA 101 0.276 0.110 0.255 25515 69 1 12 "Average Difference" C 92 3.846 2.276 3.117 25515 70 1 12 "Average Difference" CA 97 0.944 -0.094 0.945 25515 71 1 12 "Average Difference" CB 88 0.859 -0.180 0.844 25515 72 1 12 "Average Difference" HN 93 0.596 0.034 0.598 25515 73 1 13 "Average Difference" N 93 2.414 0.287 2.410 25515 74 1 13 "Average Difference" HA 101 0.297 0.099 0.281 25515 75 1 13 "Average Difference" C 92 3.804 2.336 3.018 25515 76 1 13 "Average Difference" CA 97 1.045 0.003 1.051 25515 77 1 13 "Average Difference" CB 88 0.812 -0.249 0.777 25515 78 1 13 "Average Difference" HN 93 0.575 0.050 0.576 25515 79 1 14 "Average Difference" N 93 2.473 0.174 2.481 25515 80 1 14 "Average Difference" HA 101 0.245 0.096 0.227 25515 81 1 14 "Average Difference" C 92 3.841 2.279 3.109 25515 82 1 14 "Average Difference" CA 97 1.061 -0.027 1.066 25515 83 1 14 "Average Difference" CB 88 0.797 -0.156 0.786 25515 84 1 14 "Average Difference" HN 93 0.590 0.054 0.591 25515 85 1 15 "Average Difference" N 93 2.531 0.193 2.537 25515 86 1 15 "Average Difference" HA 101 0.274 0.107 0.253 25515 87 1 15 "Average Difference" C 92 3.821 2.258 3.099 25515 88 1 15 "Average Difference" CA 97 1.082 0.003 1.087 25515 89 1 15 "Average Difference" CB 88 0.930 -0.155 0.922 25515 90 1 15 "Average Difference" HN 93 0.618 0.059 0.618 25515 91 1 16 "Average Difference" N 93 2.397 0.229 2.399 25515 92 1 16 "Average Difference" HA 101 0.253 0.110 0.229 25515 93 1 16 "Average Difference" C 92 3.782 2.245 3.061 25515 94 1 16 "Average Difference" CA 97 1.014 -0.069 1.017 25515 95 1 16 "Average Difference" CB 88 0.776 -0.181 0.759 25515 96 1 16 "Average Difference" HN 93 0.594 0.045 0.595 25515 97 1 17 "Average Difference" N 93 2.425 0.101 2.436 25515 98 1 17 "Average Difference" HA 101 0.264 0.098 0.246 25515 99 1 17 "Average Difference" C 92 3.807 2.246 3.090 25515 100 1 17 "Average Difference" CA 97 1.084 -0.001 1.090 25515 101 1 17 "Average Difference" CB 88 0.832 -0.180 0.817 25515 102 1 17 "Average Difference" HN 93 0.560 0.081 0.557 25515 103 1 18 "Average Difference" N 93 2.550 0.217 2.555 25515 104 1 18 "Average Difference" HA 101 0.283 0.093 0.269 25515 105 1 18 "Average Difference" C 92 3.781 2.266 3.043 25515 106 1 18 "Average Difference" CA 97 1.044 0.012 1.050 25515 107 1 18 "Average Difference" CB 88 0.912 -0.188 0.898 25515 108 1 18 "Average Difference" HN 93 0.611 0.046 0.613 25515 109 1 19 "Average Difference" N 93 2.442 0.212 2.446 25515 110 1 19 "Average Difference" HA 101 0.266 0.095 0.249 25515 111 1 19 "Average Difference" C 92 3.816 2.272 3.083 25515 112 1 19 "Average Difference" CA 97 1.057 -0.030 1.062 25515 113 1 19 "Average Difference" CB 88 0.864 -0.260 0.829 25515 114 1 19 "Average Difference" HN 93 0.595 0.061 0.595 25515 115 1 20 "Average Difference" N 93 2.399 0.206 2.403 25515 116 1 20 "Average Difference" HA 101 0.290 0.104 0.271 25515 117 1 20 "Average Difference" C 92 3.797 2.219 3.098 25515 118 1 20 "Average Difference" CA 97 0.959 -0.048 0.962 25515 119 1 20 "Average Difference" CB 88 0.788 -0.220 0.761 25515 120 1 20 "Average Difference" HN 93 0.581 0.005 0.585 25515 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 25515 _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 ALA HA H 2 4.291 4.291 4.468 -0.177 25515 2 1 . 1 1 2 2 ALA C C 2 175.019 175.019 176.509 -1.490 25515 3 1 . 1 1 2 2 ALA CA C 2 52.571 52.571 51.570 1.001 25515 4 1 . 1 1 2 2 ALA CB C 2 19.119 19.119 19.498 -0.379 25515 5 1 . 1 1 3 3 ASP N N 3 120.192 120.192 122.488 -2.296 25515 6 1 . 1 1 3 3 ASP HA H 3 4.485 4.485 4.607 -0.122 25515 7 1 . 1 1 3 3 ASP C C 3 175.549 175.549 175.747 -0.198 25515 8 1 . 1 1 3 3 ASP CA C 3 54.252 54.252 54.152 0.100 25515 9 1 . 1 1 3 3 ASP CB C 3 41.232 41.232 41.828 -0.596 25515 10 1 . 1 1 3 3 ASP H H 3 8.336 8.336 8.382 -0.046 25515 11 1 . 1 1 4 4 GLN N N 4 121.286 121.286 121.603 -0.317 25515 12 1 . 1 1 4 4 GLN HA H 4 4.202 4.202 4.455 -0.253 25515 13 1 . 1 1 4 4 GLN C C 4 175.579 175.579 175.790 -0.211 25515 14 1 . 1 1 4 4 GLN CA C 4 56.326 56.326 55.509 0.817 25515 15 1 . 1 1 4 4 GLN CB C 4 29.117 29.117 29.692 -0.575 25515 16 1 . 1 1 4 4 GLN H H 4 8.404 8.404 8.407 -0.003 25515 17 1 . 1 1 5 5 ARG N N 5 121.138 121.138 121.201 -0.063 25515 18 1 . 1 1 5 5 ARG HA H 5 4.164 4.164 4.291 -0.127 25515 19 1 . 1 1 5 5 ARG C C 5 175.327 175.327 176.565 -1.238 25515 20 1 . 1 1 5 5 ARG CA C 5 56.776 56.776 56.716 0.060 25515 21 1 . 1 1 5 5 ARG CB C 5 30.511 30.511 30.672 -0.161 25515 22 1 . 1 1 5 5 ARG H H 5 8.281 8.281 8.652 -0.371 25515 23 1 . 1 1 6 6 GLN N N 6 120.348 120.348 118.269 2.079 25515 24 1 . 1 1 6 6 GLN HA H 6 4.189 4.189 4.392 -0.203 25515 25 1 . 1 1 6 6 GLN C C 6 175.838 175.838 175.986 -0.148 25515 26 1 . 1 1 6 6 GLN CA C 6 56.208 56.208 55.467 0.741 25515 27 1 . 1 1 6 6 GLN CB C 6 29.131 29.131 29.704 -0.573 25515 28 1 . 1 1 6 6 GLN H H 6 8.253 8.253 8.035 0.218 25515 29 1 . 1 1 7 7 ARG N N 7 121.761 121.761 122.369 -0.608 25515 30 1 . 1 1 7 7 ARG HA H 7 4.241 4.241 4.150 0.091 25515 31 1 . 1 1 7 7 ARG C C 7 175.708 175.708 177.858 -2.150 25515 32 1 . 1 1 7 7 ARG CA C 7 56.336 56.336 58.718 -2.383 25515 33 1 . 1 1 7 7 ARG CB C 7 30.771 30.771 30.020 0.751 25515 34 1 . 1 1 7 7 ARG H H 7 8.211 8.211 8.523 -0.312 25515 35 1 . 1 1 8 8 SER N N 8 116.450 116.450 114.083 2.367 25515 36 1 . 1 1 8 8 SER HA H 8 4.384 4.384 4.378 0.006 25515 37 1 . 1 1 8 8 SER C C 8 177.569 177.569 175.639 1.930 25515 38 1 . 1 1 8 8 SER CA C 8 58.298 58.298 60.557 -2.259 25515 39 1 . 1 1 8 8 SER CB C 8 63.786 63.786 62.808 0.978 25515 40 1 . 1 1 8 8 SER H H 8 8.220 8.220 8.378 -0.158 25515 41 1 . 1 1 9 9 LEU N N 9 123.709 123.709 116.598 7.111 25515 42 1 . 1 1 9 9 LEU HA H 9 4.354 4.354 4.465 -0.111 25515 43 1 . 1 1 9 9 LEU C C 9 174.915 174.915 177.795 -2.880 25515 44 1 . 1 1 9 9 LEU CA C 9 54.976 54.976 56.300 -1.324 25515 45 1 . 1 1 9 9 LEU CB C 9 42.678 42.678 41.414 1.264 25515 46 1 . 1 1 9 9 LEU H H 9 8.091 8.091 7.700 0.391 25515 47 1 . 1 1 10 10 SER N N 10 115.478 115.478 115.006 0.472 25515 48 1 . 1 1 10 10 SER HA H 10 4.561 4.561 4.413 0.148 25515 49 1 . 1 1 10 10 SER C C 10 177.096 177.096 175.017 2.079 25515 50 1 . 1 1 10 10 SER CA C 10 58.016 58.016 60.208 -2.192 25515 51 1 . 1 1 10 10 SER CB C 10 64.062 64.062 63.946 0.116 25515 52 1 . 1 1 10 10 SER H H 10 8.187 8.187 7.884 0.303 25515 53 1 . 1 1 11 11 THR N N 11 114.393 114.393 114.818 -0.425 25515 54 1 . 1 1 11 11 THR HA H 11 4.516 4.516 4.481 0.035 25515 55 1 . 1 1 11 11 THR C C 11 177.232 177.232 174.647 2.585 25515 56 1 . 1 1 11 11 THR CA C 11 61.740 61.740 61.234 0.506 25515 57 1 . 1 1 11 11 THR CB C 11 69.478 69.478 69.701 -0.223 25515 58 1 . 1 1 11 11 THR H H 11 8.180 8.180 7.707 0.473 25515 59 1 . 1 1 12 12 SER N N 12 117.125 117.125 120.486 -3.361 25515 60 1 . 1 1 12 12 SER HA H 12 4.391 4.391 4.389 0.002 25515 61 1 . 1 1 12 12 SER C C 12 176.856 176.856 175.562 1.294 25515 62 1 . 1 1 12 12 SER CA C 12 58.537 58.537 59.204 -0.667 25515 63 1 . 1 1 12 12 SER CB C 12 63.915 63.915 63.325 0.590 25515 64 1 . 1 1 12 12 SER H H 12 8.171 8.171 8.694 -0.523 25515 65 1 . 1 1 13 13 GLY N N 13 111.544 111.544 108.388 3.156 25515 66 1 . 1 1 13 13 GLY C C 13 178.243 178.243 173.673 4.570 25515 67 1 . 1 1 13 13 GLY CA C 13 45.480 45.480 45.121 0.359 25515 68 1 . 1 1 13 13 GLY H H 13 8.381 8.381 8.273 0.108 25515 69 1 . 1 1 14 14 GLU N N 14 119.223 119.223 119.861 -0.638 25515 70 1 . 1 1 14 14 GLU HA H 14 4.440 4.440 4.786 -0.346 25515 71 1 . 1 1 14 14 GLU C C 14 174.876 174.876 175.798 -0.922 25515 72 1 . 1 1 14 14 GLU CA C 14 56.424 56.424 55.636 0.788 25515 73 1 . 1 1 14 14 GLU CB C 14 30.978 30.978 31.232 -0.254 25515 74 1 . 1 1 14 14 GLU H H 14 8.149 8.149 7.894 0.255 25515 75 1 . 1 1 15 15 SER N N 15 117.752 117.752 117.845 -0.093 25515 76 1 . 1 1 15 15 SER H H 15 8.437 8.437 8.871 -0.434 25515 77 1 . 1 1 16 16 LEU N N 16 121.072 121.072 122.424 -1.352 25515 78 1 . 1 1 16 16 LEU HA H 16 3.861 3.861 4.099 -0.238 25515 79 1 . 1 1 16 16 LEU C C 16 174.423 174.423 178.990 -4.567 25515 80 1 . 1 1 16 16 LEU CA C 16 57.425 57.425 57.681 -0.256 25515 81 1 . 1 1 16 16 LEU CB C 16 41.676 41.676 41.016 0.660 25515 82 1 . 1 1 16 16 LEU H H 16 8.233 8.233 8.401 -0.168 25515 83 1 . 1 1 17 17 TYR N N 17 111.961 111.961 115.475 -3.514 25515 84 1 . 1 1 17 17 TYR HA H 17 3.662 3.662 4.098 -0.436 25515 85 1 . 1 1 17 17 TYR C C 17 173.256 173.256 178.175 -4.919 25515 86 1 . 1 1 17 17 TYR CA C 17 61.866 61.866 62.194 -0.328 25515 87 1 . 1 1 17 17 TYR CB C 17 37.407 37.407 37.587 -0.180 25515 88 1 . 1 1 17 17 TYR H H 17 6.929 6.929 8.050 -1.121 25515 89 1 . 1 1 18 18 HIS N N 18 119.254 119.254 117.268 1.986 25515 90 1 . 1 1 18 18 HIS HA H 18 4.439 4.439 4.398 0.041 25515 91 1 . 1 1 18 18 HIS CA C 18 58.914 58.914 59.024 -0.110 25515 92 1 . 1 1 18 18 HIS CB C 18 29.615 29.615 30.287 -0.672 25515 93 1 . 1 1 18 18 HIS H H 18 7.672 7.672 8.030 -0.358 25515 94 1 . 1 1 19 19 VAL N N 19 120.746 120.746 118.184 2.562 25515 95 1 . 1 1 19 19 VAL HA H 19 3.705 3.705 3.855 -0.150 25515 96 1 . 1 1 19 19 VAL C C 19 175.643 175.643 176.981 -1.338 25515 97 1 . 1 1 19 19 VAL CA C 19 65.533 65.533 65.368 0.165 25515 98 1 . 1 1 19 19 VAL CB C 19 31.465 31.465 31.685 -0.220 25515 99 1 . 1 1 19 19 VAL H H 19 7.883 7.883 7.616 0.267 25515 100 1 . 1 1 20 20 LEU N N 20 114.576 114.576 117.496 -2.920 25515 101 1 . 1 1 20 20 LEU HA H 20 4.361 4.361 4.376 -0.015 25515 102 1 . 1 1 20 20 LEU C C 20 175.746 175.746 177.023 -1.277 25515 103 1 . 1 1 20 20 LEU CA C 20 53.281 53.281 54.811 -1.530 25515 104 1 . 1 1 20 20 LEU CB C 20 42.900 42.900 42.318 0.582 25515 105 1 . 1 1 20 20 LEU H H 20 6.626 6.626 7.392 -0.766 25515 106 1 . 1 1 21 21 GLY N N 21 109.239 109.239 106.765 2.474 25515 107 1 . 1 1 21 21 GLY C C 21 177.637 177.637 174.552 3.085 25515 108 1 . 1 1 21 21 GLY CA C 21 46.283 46.283 45.810 0.473 25515 109 1 . 1 1 21 21 GLY H H 21 7.991 7.991 7.626 0.365 25515 110 1 . 1 1 22 22 LEU N N 22 119.495 119.495 116.167 3.328 25515 111 1 . 1 1 22 22 LEU HA H 22 4.767 4.767 4.938 -0.171 25515 112 1 . 1 1 22 22 LEU C C 22 177.306 177.306 175.510 1.796 25515 113 1 . 1 1 22 22 LEU CA C 22 52.882 52.882 53.038 -0.156 25515 114 1 . 1 1 22 22 LEU CB C 22 45.907 45.907 43.494 2.413 25515 115 1 . 1 1 22 22 LEU H H 22 7.765 7.765 7.501 0.264 25515 116 1 . 1 1 23 23 ASP N N 23 118.518 118.518 118.336 0.182 25515 117 1 . 1 1 23 23 ASP HA H 23 4.589 4.589 4.840 -0.251 25515 118 1 . 1 1 23 23 ASP C C 23 176.597 176.597 177.489 -0.892 25515 119 1 . 1 1 23 23 ASP CA C 23 52.031 52.031 53.119 -1.088 25515 120 1 . 1 1 23 23 ASP CB C 23 43.481 43.481 42.535 0.946 25515 121 1 . 1 1 23 23 ASP H H 23 7.977 7.977 8.383 -0.406 25515 122 1 . 1 1 24 24 LYS N N 24 115.499 115.499 118.219 -2.720 25515 123 1 . 1 1 24 24 LYS HA H 24 2.152 2.152 3.218 -1.066 25515 124 1 . 1 1 24 24 LYS C C 24 176.231 176.231 175.930 0.301 25515 125 1 . 1 1 24 24 LYS CA C 24 57.067 57.067 57.408 -0.341 25515 126 1 . 1 1 24 24 LYS CB C 24 32.362 32.362 31.468 0.893 25515 127 1 . 1 1 24 24 LYS H H 24 7.811 7.811 8.450 -0.639 25515 128 1 . 1 1 25 25 ASN N N 25 115.622 115.622 115.943 -0.321 25515 129 1 . 1 1 25 25 ASN HA H 25 4.525 4.525 4.778 -0.253 25515 130 1 . 1 1 25 25 ASN C C 25 176.698 176.698 174.903 1.795 25515 131 1 . 1 1 25 25 ASN CA C 25 52.873 52.873 52.801 0.072 25515 132 1 . 1 1 25 25 ASN CB C 25 38.074 38.074 39.051 -0.977 25515 133 1 . 1 1 25 25 ASN H H 25 7.817 7.817 7.869 -0.052 25515 134 1 . 1 1 26 26 ALA N N 26 122.970 122.970 124.072 -1.102 25515 135 1 . 1 1 26 26 ALA HA H 26 4.359 4.359 4.369 -0.010 25515 136 1 . 1 1 26 26 ALA C C 26 173.847 173.847 176.524 -2.677 25515 137 1 . 1 1 26 26 ALA CA C 26 52.917 52.917 52.523 0.394 25515 138 1 . 1 1 26 26 ALA CB C 26 20.967 20.967 19.881 1.086 25515 139 1 . 1 1 26 26 ALA H H 26 7.646 7.646 7.456 0.190 25515 140 1 . 1 1 27 27 THR N N 27 113.252 113.252 113.933 -0.681 25515 141 1 . 1 1 27 27 THR HA H 27 4.657 4.657 4.522 0.135 25515 142 1 . 1 1 27 27 THR C C 27 175.986 175.986 176.076 -0.090 25515 143 1 . 1 1 27 27 THR CA C 27 60.427 60.427 60.084 0.343 25515 144 1 . 1 1 27 27 THR CB C 27 71.702 71.702 71.177 0.525 25515 145 1 . 1 1 27 27 THR H H 27 9.089 9.089 8.256 0.833 25515 146 1 . 1 1 28 28 SER N N 28 115.961 115.961 118.030 -2.069 25515 147 1 . 1 1 28 28 SER HA H 28 3.930 3.930 4.042 -0.112 25515 148 1 . 1 1 28 28 SER C C 28 175.440 175.440 176.001 -0.561 25515 149 1 . 1 1 28 28 SER CA C 28 62.515 62.515 62.730 -0.214 25515 150 1 . 1 1 28 28 SER CB C 28 62.713 62.713 63.111 -0.398 25515 151 1 . 1 1 28 28 SER H H 28 9.095 9.095 8.823 0.272 25515 152 1 . 1 1 29 29 ASP N N 29 119.797 119.797 120.963 -1.166 25515 153 1 . 1 1 29 29 ASP HA H 29 4.403 4.403 4.409 -0.006 25515 154 1 . 1 1 29 29 ASP C C 29 173.862 173.862 178.140 -4.278 25515 155 1 . 1 1 29 29 ASP CA C 29 57.783 57.783 57.638 0.145 25515 156 1 . 1 1 29 29 ASP CB C 29 41.051 41.051 40.700 0.350 25515 157 1 . 1 1 29 29 ASP H H 29 8.122 8.122 8.312 -0.190 25515 158 1 . 1 1 30 30 ASP N N 30 120.847 120.847 119.783 1.064 25515 159 1 . 1 1 30 30 ASP HA H 30 4.347 4.347 4.541 -0.194 25515 160 1 . 1 1 30 30 ASP C C 30 172.627 172.627 178.809 -6.182 25515 161 1 . 1 1 30 30 ASP CA C 30 57.689 57.689 57.183 0.506 25515 162 1 . 1 1 30 30 ASP CB C 30 40.982 40.982 41.050 -0.068 25515 163 1 . 1 1 30 30 ASP H H 30 7.851 7.851 7.753 0.098 25515 164 1 . 1 1 31 31 ILE N N 31 121.776 121.776 120.927 0.849 25515 165 1 . 1 1 31 31 ILE HA H 31 3.516 3.516 3.680 -0.164 25515 166 1 . 1 1 31 31 ILE C C 31 174.709 174.709 178.143 -3.434 25515 167 1 . 1 1 31 31 ILE CA C 31 65.486 65.486 65.405 0.081 25515 168 1 . 1 1 31 31 ILE CB C 31 38.241 38.241 37.909 0.332 25515 169 1 . 1 1 31 31 ILE H H 31 8.122 8.122 8.221 -0.099 25515 170 1 . 1 1 32 32 LYS N N 32 119.510 119.510 120.122 -0.612 25515 171 1 . 1 1 32 32 LYS HA H 32 4.077 4.077 4.401 -0.324 25515 172 1 . 1 1 32 32 LYS C C 32 172.959 172.959 179.220 -6.261 25515 173 1 . 1 1 32 32 LYS CA C 32 60.835 60.835 59.143 1.692 25515 174 1 . 1 1 32 32 LYS CB C 32 32.504 32.504 32.343 0.161 25515 175 1 . 1 1 32 32 LYS H H 32 8.172 8.172 8.123 0.049 25515 176 1 . 1 1 33 33 LYS N N 33 119.042 119.042 120.402 -1.360 25515 177 1 . 1 1 33 33 LYS HA H 33 3.968 3.968 4.054 -0.086 25515 178 1 . 1 1 33 33 LYS C C 33 172.323 172.323 179.172 -6.849 25515 179 1 . 1 1 33 33 LYS CA C 33 60.006 60.006 59.722 0.284 25515 180 1 . 1 1 33 33 LYS CB C 33 32.713 32.713 32.322 0.391 25515 181 1 . 1 1 33 33 LYS H H 33 8.342 8.342 8.052 0.290 25515 182 1 . 1 1 34 34 SER N N 34 115.060 115.060 115.458 -0.398 25515 183 1 . 1 1 34 34 SER HA H 34 4.260 4.260 4.190 0.070 25515 184 1 . 1 1 34 34 SER C C 34 175.503 175.503 176.270 -0.767 25515 185 1 . 1 1 34 34 SER CA C 34 61.734 61.734 61.959 -0.225 25515 186 1 . 1 1 34 34 SER CB C 34 63.088 63.088 63.064 0.024 25515 187 1 . 1 1 34 34 SER H H 34 8.161 8.161 8.406 -0.245 25515 188 1 . 1 1 35 35 TYR N N 35 119.241 119.241 123.183 -3.942 25515 189 1 . 1 1 35 35 TYR HA H 35 3.874 3.874 4.129 -0.255 25515 190 1 . 1 1 35 35 TYR C C 35 176.352 176.352 177.067 -0.715 25515 191 1 . 1 1 35 35 TYR CA C 35 61.869 61.869 61.533 0.336 25515 192 1 . 1 1 35 35 TYR CB C 35 38.790 38.790 38.369 0.421 25515 193 1 . 1 1 35 35 TYR H H 35 8.499 8.499 7.854 0.645 25515 194 1 . 1 1 36 36 ARG N N 36 116.674 116.674 117.860 -1.186 25515 195 1 . 1 1 36 36 ARG HA H 36 3.453 3.453 3.544 -0.091 25515 196 1 . 1 1 36 36 ARG C C 36 173.135 173.135 178.619 -5.484 25515 197 1 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.555 1.055 25515 198 1 . 1 1 36 36 ARG CB C 36 29.879 29.879 29.320 0.559 25515 199 1 . 1 1 36 36 ARG H H 36 7.967 7.967 7.956 0.011 25515 200 1 . 1 1 37 37 LYS N N 37 116.974 116.974 119.104 -2.130 25515 201 1 . 1 1 37 37 LYS HA H 37 3.970 3.970 3.993 -0.023 25515 202 1 . 1 1 37 37 LYS C C 37 172.489 172.489 179.638 -7.149 25515 203 1 . 1 1 37 37 LYS CA C 37 59.377 59.377 59.336 0.041 25515 204 1 . 1 1 37 37 LYS CB C 37 32.757 32.757 32.194 0.563 25515 205 1 . 1 1 37 37 LYS H H 37 7.275 7.275 8.030 -0.755 25515 206 1 . 1 1 38 38 LEU N N 38 120.978 120.978 118.661 2.317 25515 207 1 . 1 1 38 38 LEU HA H 38 4.023 4.023 4.315 -0.292 25515 208 1 . 1 1 38 38 LEU C C 38 173.557 173.557 178.385 -4.827 25515 209 1 . 1 1 38 38 LEU CA C 38 57.404 57.404 56.513 0.891 25515 210 1 . 1 1 38 38 LEU CB C 38 42.368 42.368 42.171 0.197 25515 211 1 . 1 1 38 38 LEU H H 38 8.268 8.268 7.671 0.597 25515 212 1 . 1 1 39 39 ALA N N 39 122.700 122.700 123.069 -0.369 25515 213 1 . 1 1 39 39 ALA HA H 39 3.885 3.885 3.849 0.036 25515 214 1 . 1 1 39 39 ALA C C 39 172.721 172.721 179.021 -6.300 25515 215 1 . 1 1 39 39 ALA CA C 39 55.440 55.440 55.341 0.099 25515 216 1 . 1 1 39 39 ALA CB C 39 16.950 16.950 18.216 -1.266 25515 217 1 . 1 1 39 39 ALA H H 39 9.043 9.043 8.289 0.754 25515 218 1 . 1 1 40 40 LEU N N 40 114.462 114.462 114.058 0.404 25515 219 1 . 1 1 40 40 LEU HA H 40 4.032 4.032 4.017 0.015 25515 220 1 . 1 1 40 40 LEU C C 40 173.110 173.110 179.182 -6.072 25515 221 1 . 1 1 40 40 LEU CA C 40 57.309 57.309 56.688 0.621 25515 222 1 . 1 1 40 40 LEU CB C 40 42.034 42.034 40.132 1.902 25515 223 1 . 1 1 40 40 LEU H H 40 6.862 6.862 7.486 -0.624 25515 224 1 . 1 1 41 41 LYS N N 41 118.126 118.126 121.585 -3.459 25515 225 1 . 1 1 41 41 LYS HA H 41 3.842 3.842 3.801 0.041 25515 226 1 . 1 1 41 41 LYS C C 41 173.695 173.695 177.619 -3.924 25515 227 1 . 1 1 41 41 LYS CA C 41 58.742 58.742 59.013 -0.271 25515 228 1 . 1 1 41 41 LYS CB C 41 32.987 32.987 32.377 0.610 25515 229 1 . 1 1 41 41 LYS H H 41 7.135 7.135 7.712 -0.577 25515 230 1 . 1 1 42 42 TYR N N 42 113.902 113.902 114.125 -0.223 25515 231 1 . 1 1 42 42 TYR HA H 42 4.490 4.490 4.608 -0.118 25515 232 1 . 1 1 42 42 TYR C C 42 178.884 178.884 174.565 4.319 25515 233 1 . 1 1 42 42 TYR CA C 42 58.013 58.013 57.196 0.817 25515 234 1 . 1 1 42 42 TYR CB C 42 38.510 38.510 38.201 0.309 25515 235 1 . 1 1 42 42 TYR H H 42 7.756 7.756 7.904 -0.148 25515 236 1 . 1 1 43 43 HIS N N 43 120.909 120.909 122.558 -1.649 25515 237 1 . 1 1 43 43 HIS HA H 43 3.472 3.472 4.190 -0.718 25515 238 1 . 1 1 43 43 HIS CA C 43 56.899 56.899 56.157 0.742 25515 239 1 . 1 1 43 43 HIS CB C 43 31.125 31.125 31.317 -0.192 25515 240 1 . 1 1 43 43 HIS H H 43 7.134 7.134 7.616 -0.482 25515 241 1 . 1 1 44 44 PRO HA H 44 3.998 3.998 4.075 -0.077 25515 242 1 . 1 1 44 44 PRO C C 44 172.774 172.774 178.228 -5.454 25515 243 1 . 1 1 44 44 PRO CA C 44 65.605 65.605 65.857 -0.252 25515 244 1 . 1 1 44 44 PRO CB C 44 31.610 31.610 31.600 0.010 25515 245 1 . 1 1 45 45 ASP N N 45 121.379 121.379 115.535 5.844 25515 246 1 . 1 1 45 45 ASP HA H 45 4.357 4.357 4.480 -0.123 25515 247 1 . 1 1 45 45 ASP C C 45 173.968 173.968 177.039 -3.071 25515 248 1 . 1 1 45 45 ASP CA C 45 56.771 56.771 55.160 1.611 25515 249 1 . 1 1 45 45 ASP CB C 45 40.123 40.123 40.646 -0.523 25515 250 1 . 1 1 45 45 ASP H H 45 10.727 10.727 8.360 2.367 25515 251 1 . 1 1 46 46 LYS N N 46 115.902 115.902 117.620 -1.718 25515 252 1 . 1 1 46 46 LYS HA H 46 4.358 4.358 4.250 0.108 25515 253 1 . 1 1 46 46 LYS C C 46 176.450 176.450 176.484 -0.034 25515 254 1 . 1 1 46 46 LYS CA C 46 54.774 54.774 56.317 -1.543 25515 255 1 . 1 1 46 46 LYS CB C 46 33.189 33.189 32.290 0.899 25515 256 1 . 1 1 46 46 LYS H H 46 7.475 7.475 8.116 -0.641 25515 257 1 . 1 1 47 47 ASN N N 47 117.709 117.709 119.491 -1.782 25515 258 1 . 1 1 47 47 ASN HA H 47 5.150 5.150 5.078 0.072 25515 259 1 . 1 1 47 47 ASN C C 47 170.657 170.657 173.578 -2.921 25515 260 1 . 1 1 47 47 ASN CA C 47 51.540 51.540 51.156 0.384 25515 261 1 . 1 1 47 47 ASN CB C 47 41.556 41.556 39.241 2.315 25515 262 1 . 1 1 47 47 ASN H H 47 7.410 7.410 7.481 -0.071 25515 263 1 . 1 1 48 48 PRO HA H 48 4.366 4.366 4.559 -0.193 25515 264 1 . 1 1 48 48 PRO C C 48 174.739 174.739 176.353 -1.614 25515 265 1 . 1 1 48 48 PRO CA C 48 64.112 64.112 62.374 1.738 25515 266 1 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.560 -1.036 25515 267 1 . 1 1 49 49 ASP N N 49 117.619 117.619 117.212 0.407 25515 268 1 . 1 1 49 49 ASP HA H 49 4.377 4.377 4.479 -0.102 25515 269 1 . 1 1 49 49 ASP C C 49 177.335 177.335 176.038 1.297 25515 270 1 . 1 1 49 49 ASP CA C 49 54.585 54.585 55.209 -0.624 25515 271 1 . 1 1 49 49 ASP CB C 49 40.254 40.254 40.962 -0.708 25515 272 1 . 1 1 49 49 ASP H H 49 8.679 8.679 8.347 0.332 25515 273 1 . 1 1 50 50 ASN N N 50 114.537 114.537 118.344 -3.807 25515 274 1 . 1 1 50 50 ASN HA H 50 5.200 5.200 4.719 0.482 25515 275 1 . 1 1 50 50 ASN C C 50 178.245 178.245 174.520 3.725 25515 276 1 . 1 1 50 50 ASN CA C 50 50.135 50.135 52.033 -1.898 25515 277 1 . 1 1 50 50 ASN CB C 50 39.576 39.576 38.434 1.142 25515 278 1 . 1 1 50 50 ASN H H 50 7.341 7.341 8.210 -0.869 25515 279 1 . 1 1 51 51 PRO HA H 51 4.364 4.364 4.546 -0.182 25515 280 1 . 1 1 51 51 PRO C C 51 173.714 173.714 177.697 -3.983 25515 281 1 . 1 1 51 51 PRO CA C 51 64.618 64.618 63.256 1.362 25515 282 1 . 1 1 51 51 PRO CB C 51 32.101 32.101 32.003 0.098 25515 283 1 . 1 1 52 52 GLU N N 52 118.597 118.597 121.292 -2.695 25515 284 1 . 1 1 52 52 GLU HA H 52 4.188 4.188 4.071 0.117 25515 285 1 . 1 1 52 52 GLU C C 52 173.216 173.216 177.893 -4.677 25515 286 1 . 1 1 52 52 GLU CA C 52 58.950 58.950 60.158 -1.208 25515 287 1 . 1 1 52 52 GLU CB C 52 29.199 29.199 29.393 -0.194 25515 288 1 . 1 1 52 52 GLU H H 52 8.048 8.048 8.755 -0.707 25515 289 1 . 1 1 53 53 ALA N N 53 122.149 122.149 121.120 1.029 25515 290 1 . 1 1 53 53 ALA HA H 53 3.974 3.974 4.260 -0.286 25515 291 1 . 1 1 53 53 ALA C C 53 173.485 173.485 179.338 -5.853 25515 292 1 . 1 1 53 53 ALA CA C 53 55.071 55.071 54.932 0.139 25515 293 1 . 1 1 53 53 ALA CB C 53 17.777 17.777 18.214 -0.437 25515 294 1 . 1 1 53 53 ALA H H 53 7.606 7.606 8.044 -0.438 25515 295 1 . 1 1 54 54 ALA N N 54 119.475 119.475 121.317 -1.842 25515 296 1 . 1 1 54 54 ALA HA H 54 4.227 4.227 4.155 0.072 25515 297 1 . 1 1 54 54 ALA C C 54 171.125 171.125 179.272 -8.147 25515 298 1 . 1 1 54 54 ALA CA C 54 55.171 55.171 54.780 0.391 25515 299 1 . 1 1 54 54 ALA CB C 54 17.847 17.847 18.469 -0.622 25515 300 1 . 1 1 54 54 ALA H H 54 7.680 7.680 8.159 -0.479 25515 301 1 . 1 1 55 55 ASP N N 55 120.134 120.134 119.246 0.888 25515 302 1 . 1 1 55 55 ASP HA H 55 4.421 4.421 4.347 0.074 25515 303 1 . 1 1 55 55 ASP C C 55 173.088 173.088 178.699 -5.611 25515 304 1 . 1 1 55 55 ASP CA C 55 57.406 57.406 57.748 -0.342 25515 305 1 . 1 1 55 55 ASP CB C 55 40.329 40.329 40.825 -0.496 25515 306 1 . 1 1 55 55 ASP H H 55 7.983 7.983 8.308 -0.325 25515 307 1 . 1 1 56 56 LYS N N 56 120.915 120.915 119.973 0.942 25515 308 1 . 1 1 56 56 LYS HA H 56 3.910 3.910 3.908 0.002 25515 309 1 . 1 1 56 56 LYS C C 56 173.210 173.210 178.729 -5.519 25515 310 1 . 1 1 56 56 LYS CA C 56 58.481 58.481 58.746 -0.265 25515 311 1 . 1 1 56 56 LYS CB C 56 30.908 30.908 31.603 -0.695 25515 312 1 . 1 1 56 56 LYS H H 56 7.758 7.758 7.935 -0.177 25515 313 1 . 1 1 57 57 PHE N N 57 120.024 120.024 120.171 -0.147 25515 314 1 . 1 1 57 57 PHE HA H 57 4.005 4.005 4.114 -0.109 25515 315 1 . 1 1 57 57 PHE C C 57 174.430 174.430 177.295 -2.865 25515 316 1 . 1 1 57 57 PHE CA C 57 61.540 61.540 60.077 1.463 25515 317 1 . 1 1 57 57 PHE CB C 57 39.088 39.088 38.648 0.440 25515 318 1 . 1 1 57 57 PHE H H 57 8.861 8.861 8.608 0.253 25515 319 1 . 1 1 58 58 LYS N N 58 119.306 119.306 119.848 -0.542 25515 320 1 . 1 1 58 58 LYS HA H 58 3.953 3.953 3.719 0.234 25515 321 1 . 1 1 58 58 LYS C C 58 172.875 172.875 178.564 -5.689 25515 322 1 . 1 1 58 58 LYS CA C 58 59.861 59.861 60.056 -0.196 25515 323 1 . 1 1 58 58 LYS CB C 58 32.309 32.309 32.384 -0.075 25515 324 1 . 1 1 58 58 LYS H H 58 7.846 7.846 8.307 -0.461 25515 325 1 . 1 1 59 59 GLU N N 59 119.732 119.732 118.302 1.430 25515 326 1 . 1 1 59 59 GLU HA H 59 4.049 4.049 4.108 -0.059 25515 327 1 . 1 1 59 59 GLU C C 59 171.935 171.935 179.118 -7.183 25515 328 1 . 1 1 59 59 GLU CA C 59 59.473 59.473 59.038 0.436 25515 329 1 . 1 1 59 59 GLU CB C 59 29.827 29.827 29.254 0.573 25515 330 1 . 1 1 59 59 GLU H H 59 7.732 7.732 8.078 -0.346 25515 331 1 . 1 1 60 60 ILE N N 60 119.074 119.074 121.655 -2.581 25515 332 1 . 1 1 60 60 ILE HA H 60 3.688 3.688 3.685 0.003 25515 333 1 . 1 1 60 60 ILE C C 60 174.424 174.424 178.204 -3.780 25515 334 1 . 1 1 60 60 ILE CA C 60 65.274 65.274 66.043 -0.769 25515 335 1 . 1 1 60 60 ILE CB C 60 38.447 38.447 37.812 0.635 25515 336 1 . 1 1 60 60 ILE H H 60 8.429 8.429 8.524 -0.095 25515 337 1 . 1 1 61 61 ASN N N 61 120.038 120.038 117.340 2.698 25515 338 1 . 1 1 61 61 ASN HA H 61 4.301 4.301 4.397 -0.096 25515 339 1 . 1 1 61 61 ASN C C 61 174.271 174.271 177.445 -3.174 25515 340 1 . 1 1 61 61 ASN CA C 61 56.556 56.556 55.933 0.623 25515 341 1 . 1 1 61 61 ASN CB C 61 38.283 38.283 38.314 -0.031 25515 342 1 . 1 1 61 61 ASN H H 61 8.025 8.025 8.549 -0.524 25515 343 1 . 1 1 62 62 ASN N N 62 119.502 119.502 118.858 0.644 25515 344 1 . 1 1 62 62 ASN HA H 62 4.310 4.310 4.466 -0.156 25515 345 1 . 1 1 62 62 ASN C C 62 176.042 176.042 177.148 -1.106 25515 346 1 . 1 1 62 62 ASN CA C 62 56.548 56.548 56.202 0.346 25515 347 1 . 1 1 62 62 ASN CB C 62 38.721 38.721 38.555 0.166 25515 348 1 . 1 1 62 62 ASN H H 62 8.042 8.042 8.019 0.023 25515 349 1 . 1 1 63 63 ALA N N 63 119.769 119.769 122.598 -2.829 25515 350 1 . 1 1 63 63 ALA HA H 63 3.686 3.686 3.815 -0.129 25515 351 1 . 1 1 63 63 ALA C C 63 173.564 173.564 179.214 -5.650 25515 352 1 . 1 1 63 63 ALA CA C 63 55.540 55.540 54.921 0.619 25515 353 1 . 1 1 63 63 ALA CB C 63 18.506 18.506 17.960 0.546 25515 354 1 . 1 1 63 63 ALA H H 63 7.944 7.944 8.406 -0.462 25515 355 1 . 1 1 64 64 HIS N N 64 115.292 115.292 118.474 -3.182 25515 356 1 . 1 1 64 64 HIS HA H 64 3.527 3.527 4.139 -0.612 25515 357 1 . 1 1 64 64 HIS CA C 64 60.384 60.384 59.239 1.145 25515 358 1 . 1 1 64 64 HIS CB C 64 29.935 29.935 29.529 0.406 25515 359 1 . 1 1 64 64 HIS H H 64 8.055 8.055 8.351 -0.296 25515 360 1 . 1 1 65 65 ALA N N 65 122.093 122.093 120.576 1.517 25515 361 1 . 1 1 65 65 ALA HA H 65 3.506 3.506 3.966 -0.460 25515 362 1 . 1 1 65 65 ALA C C 65 172.454 172.454 179.025 -6.571 25515 363 1 . 1 1 65 65 ALA CA C 65 54.991 54.991 53.693 1.298 25515 364 1 . 1 1 65 65 ALA CB C 65 18.138 18.138 19.415 -1.277 25515 365 1 . 1 1 65 65 ALA H H 65 7.944 7.944 7.629 0.315 25515 366 1 . 1 1 66 66 ILE N N 66 115.954 115.954 118.745 -2.791 25515 367 1 . 1 1 66 66 ILE HA H 66 3.458 3.458 3.658 -0.200 25515 368 1 . 1 1 66 66 ILE C C 66 175.394 175.394 178.180 -2.786 25515 369 1 . 1 1 66 66 ILE CA C 66 63.608 63.608 63.296 0.312 25515 370 1 . 1 1 66 66 ILE CB C 66 37.989 37.989 36.597 1.392 25515 371 1 . 1 1 66 66 ILE H H 66 7.358 7.358 7.853 -0.495 25515 372 1 . 1 1 67 67 LEU N N 67 111.268 111.268 116.675 -5.407 25515 373 1 . 1 1 67 67 LEU HA H 67 3.675 3.675 3.974 -0.299 25515 374 1 . 1 1 67 67 LEU C C 67 174.490 174.490 178.651 -4.161 25515 375 1 . 1 1 67 67 LEU CA C 67 56.567 56.567 56.559 0.008 25515 376 1 . 1 1 67 67 LEU CB C 67 42.054 42.054 40.016 2.038 25515 377 1 . 1 1 67 67 LEU H H 67 7.743 7.743 7.713 0.030 25515 378 1 . 1 1 68 68 THR N N 68 103.399 103.399 109.774 -6.375 25515 379 1 . 1 1 68 68 THR HA H 68 4.023 4.023 4.216 -0.193 25515 380 1 . 1 1 68 68 THR C C 68 178.796 178.796 173.664 5.132 25515 381 1 . 1 1 68 68 THR CA C 68 61.672 61.672 62.010 -0.338 25515 382 1 . 1 1 68 68 THR CB C 68 69.052 69.052 68.607 0.445 25515 383 1 . 1 1 68 68 THR H H 68 7.104 7.104 7.529 -0.425 25515 384 1 . 1 1 69 69 ASP N N 69 125.057 125.057 121.797 3.260 25515 385 1 . 1 1 69 69 ASP HA H 69 4.701 4.701 4.695 0.006 25515 386 1 . 1 1 69 69 ASP C C 69 177.204 177.204 176.065 1.139 25515 387 1 . 1 1 69 69 ASP CA C 69 52.759 52.759 52.863 -0.104 25515 388 1 . 1 1 69 69 ASP CB C 69 42.751 42.751 43.222 -0.471 25515 389 1 . 1 1 69 69 ASP H H 69 7.076 7.076 7.437 -0.361 25515 390 1 . 1 1 70 70 ALA N N 70 128.178 128.178 128.430 -0.252 25515 391 1 . 1 1 70 70 ALA HA H 70 3.897 3.897 4.086 -0.189 25515 392 1 . 1 1 70 70 ALA C C 70 171.909 171.909 178.941 -7.032 25515 393 1 . 1 1 70 70 ALA CA C 70 55.826 55.826 54.970 0.856 25515 394 1 . 1 1 70 70 ALA CB C 70 18.474 18.474 18.880 -0.405 25515 395 1 . 1 1 70 70 ALA H H 70 8.761 8.761 8.718 0.043 25515 396 1 . 1 1 71 71 THR N N 71 113.629 113.629 115.341 -1.712 25515 397 1 . 1 1 71 71 THR HA H 71 3.981 3.981 4.091 -0.110 25515 398 1 . 1 1 71 71 THR C C 71 175.038 175.038 176.642 -1.604 25515 399 1 . 1 1 71 71 THR CA C 71 66.164 66.164 66.357 -0.193 25515 400 1 . 1 1 71 71 THR CB C 71 68.319 68.319 68.874 -0.555 25515 401 1 . 1 1 71 71 THR H H 71 7.957 7.957 8.030 -0.073 25515 402 1 . 1 1 72 72 LYS N N 72 122.501 122.501 120.824 1.677 25515 403 1 . 1 1 72 72 LYS HA H 72 3.810 3.810 4.088 -0.278 25515 404 1 . 1 1 72 72 LYS C C 72 173.814 173.814 178.878 -5.064 25515 405 1 . 1 1 72 72 LYS CA C 72 60.291 60.291 59.514 0.777 25515 406 1 . 1 1 72 72 LYS CB C 72 32.806 32.806 32.235 0.571 25515 407 1 . 1 1 72 72 LYS H H 72 8.309 8.309 8.986 -0.677 25515 408 1 . 1 1 73 73 ARG N N 73 120.595 120.595 118.269 2.326 25515 409 1 . 1 1 73 73 ARG HA H 73 3.603 3.603 4.162 -0.559 25515 410 1 . 1 1 73 73 ARG C C 73 174.477 174.477 177.813 -3.336 25515 411 1 . 1 1 73 73 ARG CA C 73 60.829 60.829 58.584 2.245 25515 412 1 . 1 1 73 73 ARG H H 73 9.258 9.258 7.888 1.370 25515 413 1 . 1 1 74 74 ASN N N 74 115.425 115.425 119.368 -3.943 25515 414 1 . 1 1 74 74 ASN HA H 74 4.431 4.431 4.505 -0.074 25515 415 1 . 1 1 74 74 ASN C C 74 174.296 174.296 177.910 -3.614 25515 416 1 . 1 1 74 74 ASN CA C 74 56.710 56.710 56.699 0.011 25515 417 1 . 1 1 74 74 ASN CB C 74 38.730 38.730 38.440 0.290 25515 418 1 . 1 1 74 74 ASN H H 74 7.534 7.534 7.834 -0.300 25515 419 1 . 1 1 75 75 ILE N N 75 119.020 119.020 118.469 0.551 25515 420 1 . 1 1 75 75 ILE HA H 75 3.633 3.633 3.869 -0.236 25515 421 1 . 1 1 75 75 ILE C C 75 174.667 174.667 177.220 -2.553 25515 422 1 . 1 1 75 75 ILE CA C 75 65.505 65.505 63.908 1.597 25515 423 1 . 1 1 75 75 ILE CB C 75 38.225 38.225 36.398 1.827 25515 424 1 . 1 1 75 75 ILE H H 75 7.656 7.656 8.298 -0.642 25515 425 1 . 1 1 76 76 TYR N N 76 121.913 121.913 122.162 -0.249 25515 426 1 . 1 1 76 76 TYR HA H 76 4.015 4.015 4.064 -0.049 25515 427 1 . 1 1 76 76 TYR C C 76 173.323 173.323 177.042 -3.719 25515 428 1 . 1 1 76 76 TYR CA C 76 61.547 61.547 61.953 -0.406 25515 429 1 . 1 1 76 76 TYR CB C 76 38.753 38.753 38.236 0.517 25515 430 1 . 1 1 76 76 TYR H H 76 8.894 8.894 7.851 1.043 25515 431 1 . 1 1 77 77 ASP N N 77 120.151 120.151 117.337 2.814 25515 432 1 . 1 1 77 77 ASP HA H 77 4.337 4.337 4.291 0.046 25515 433 1 . 1 1 77 77 ASP C C 77 174.321 174.321 177.589 -3.268 25515 434 1 . 1 1 77 77 ASP CA C 77 56.919 56.919 55.674 1.245 25515 435 1 . 1 1 77 77 ASP CB C 77 39.985 39.985 41.142 -1.157 25515 436 1 . 1 1 77 77 ASP H H 77 9.151 9.151 7.922 1.229 25515 437 1 . 1 1 78 78 LYS N N 78 117.659 117.659 118.845 -1.186 25515 438 1 . 1 1 78 78 LYS HA H 78 3.927 3.927 3.995 -0.068 25515 439 1 . 1 1 78 78 LYS C C 78 174.237 174.237 177.284 -3.047 25515 440 1 . 1 1 78 78 LYS CA C 78 58.413 58.413 58.337 0.076 25515 441 1 . 1 1 78 78 LYS CB C 78 33.642 33.642 32.957 0.685 25515 442 1 . 1 1 78 78 LYS H H 78 7.378 7.378 7.790 -0.411 25515 443 1 . 1 1 79 79 TYR N N 79 115.151 115.151 114.873 0.278 25515 444 1 . 1 1 79 79 TYR HA H 79 4.621 4.621 4.631 -0.010 25515 445 1 . 1 1 79 79 TYR C C 79 175.424 175.424 177.508 -2.084 25515 446 1 . 1 1 79 79 TYR CA C 79 56.573 56.573 59.084 -2.511 25515 447 1 . 1 1 79 79 TYR H H 79 8.505 8.505 8.281 0.224 25515 448 1 . 1 1 80 80 GLY N N 80 110.813 110.813 107.527 3.286 25515 449 1 . 1 1 80 80 GLY C C 80 177.481 177.481 175.656 1.825 25515 450 1 . 1 1 80 80 GLY CA C 80 45.545 45.545 46.535 -0.990 25515 451 1 . 1 1 80 80 GLY H H 80 8.222 8.222 8.577 -0.355 25515 452 1 . 1 1 81 81 SER N N 81 117.578 117.578 117.061 0.517 25515 453 1 . 1 1 81 81 SER C C 81 174.532 174.532 176.352 -1.820 25515 454 1 . 1 1 81 81 SER CA C 81 61.579 61.579 60.489 1.090 25515 455 1 . 1 1 81 81 SER H H 81 8.883 8.883 8.157 0.726 25515 456 1 . 1 1 82 82 LEU N N 82 123.998 123.998 121.449 2.549 25515 457 1 . 1 1 82 82 LEU HA H 82 4.271 4.271 4.544 -0.273 25515 458 1 . 1 1 82 82 LEU C C 82 173.400 173.400 178.609 -5.209 25515 459 1 . 1 1 82 82 LEU CA C 82 57.932 57.932 57.121 0.811 25515 460 1 . 1 1 82 82 LEU CB C 82 41.387 41.387 41.754 -0.367 25515 461 1 . 1 1 82 82 LEU H H 82 8.920 8.920 8.115 0.805 25515 462 1 . 1 1 83 83 GLY N N 83 105.677 105.677 107.094 -1.417 25515 463 1 . 1 1 83 83 GLY C C 83 177.230 177.230 176.317 0.913 25515 464 1 . 1 1 83 83 GLY CA C 83 47.648 47.648 47.686 -0.038 25515 465 1 . 1 1 83 83 GLY H H 83 7.565 7.565 8.844 -1.279 25515 466 1 . 1 1 84 84 LEU N N 84 119.542 119.542 122.016 -2.474 25515 467 1 . 1 1 84 84 LEU HA H 84 4.059 4.059 4.219 -0.160 25515 468 1 . 1 1 84 84 LEU C C 84 173.036 173.036 178.003 -4.967 25515 469 1 . 1 1 84 84 LEU CA C 84 57.433 57.433 57.164 0.269 25515 470 1 . 1 1 84 84 LEU H H 84 7.495 7.495 7.668 -0.173 25515 471 1 . 1 1 85 85 TYR N N 85 121.424 121.424 118.672 2.752 25515 472 1 . 1 1 85 85 TYR HA H 85 4.258 4.258 4.439 -0.181 25515 473 1 . 1 1 85 85 TYR CA C 85 60.970 60.970 60.489 0.481 25515 474 1 . 1 1 85 85 TYR CB C 85 38.308 38.308 38.100 0.208 25515 475 1 . 1 1 85 85 TYR H H 85 7.894 7.894 7.735 0.159 25515 476 1 . 1 1 86 86 VAL N N 86 120.088 120.088 119.785 0.303 25515 477 1 . 1 1 86 86 VAL HA H 86 3.276 3.276 3.302 -0.026 25515 478 1 . 1 1 86 86 VAL C C 86 174.300 174.300 177.171 -2.871 25515 479 1 . 1 1 86 86 VAL CA C 86 66.309 66.309 64.255 2.054 25515 480 1 . 1 1 86 86 VAL CB C 86 31.674 31.674 31.380 0.294 25515 481 1 . 1 1 86 86 VAL H H 86 8.402 8.402 8.255 0.147 25515 482 1 . 1 1 87 87 ALA N N 87 121.800 121.800 122.112 -0.312 25515 483 1 . 1 1 87 87 ALA HA H 87 3.737 3.737 4.099 -0.362 25515 484 1 . 1 1 87 87 ALA C C 87 172.312 172.312 179.196 -6.883 25515 485 1 . 1 1 87 87 ALA CA C 87 54.443 54.443 55.107 -0.664 25515 486 1 . 1 1 87 87 ALA CB C 87 18.401 18.401 18.316 0.085 25515 487 1 . 1 1 87 87 ALA H H 87 8.317 8.317 7.760 0.556 25515 488 1 . 1 1 88 88 GLU N N 88 118.012 118.012 117.437 0.575 25515 489 1 . 1 1 88 88 GLU HA H 88 3.875 3.875 4.032 -0.157 25515 490 1 . 1 1 88 88 GLU C C 88 174.071 174.071 178.821 -4.750 25515 491 1 . 1 1 88 88 GLU CA C 88 58.766 58.766 58.730 0.036 25515 492 1 . 1 1 88 88 GLU CB C 88 29.549 29.549 29.573 -0.024 25515 493 1 . 1 1 88 88 GLU H H 88 7.777 7.777 7.858 -0.081 25515 494 1 . 1 1 89 89 GLN N N 89 116.164 116.164 116.935 -0.771 25515 495 1 . 1 1 89 89 GLN HA H 89 3.711 3.711 4.108 -0.397 25515 496 1 . 1 1 89 89 GLN C C 89 174.572 174.572 177.460 -2.889 25515 497 1 . 1 1 89 89 GLN CA C 89 57.045 57.045 57.699 -0.654 25515 498 1 . 1 1 89 89 GLN CB C 89 28.664 28.664 29.175 -0.511 25515 499 1 . 1 1 89 89 GLN H H 89 7.704 7.704 7.666 0.038 25515 500 1 . 1 1 90 90 PHE N N 90 114.734 114.734 117.313 -2.579 25515 501 1 . 1 1 90 90 PHE HA H 90 4.710 4.710 4.523 0.187 25515 502 1 . 1 1 90 90 PHE C C 90 175.715 175.715 175.876 -0.161 25515 503 1 . 1 1 90 90 PHE CA C 90 57.405 57.405 59.153 -1.748 25515 504 1 . 1 1 90 90 PHE CB C 90 40.203 40.203 40.296 -0.093 25515 505 1 . 1 1 90 90 PHE H H 90 8.241 8.241 8.345 -0.104 25515 506 1 . 1 1 91 91 GLY N N 91 111.234 111.234 106.908 4.326 25515 507 1 . 1 1 91 91 GLY C C 91 176.788 176.788 174.437 2.351 25515 508 1 . 1 1 91 91 GLY CA C 91 45.170 45.170 44.747 0.423 25515 509 1 . 1 1 91 91 GLY H H 91 7.668 7.668 7.506 0.162 25515 510 1 . 1 1 92 92 GLU N N 92 123.392 123.392 123.632 -0.240 25515 511 1 . 1 1 92 92 GLU HA H 92 3.842 3.842 3.885 -0.043 25515 512 1 . 1 1 92 92 GLU C C 92 174.798 174.798 177.815 -3.017 25515 513 1 . 1 1 92 92 GLU CA C 92 59.258 59.258 59.820 -0.562 25515 514 1 . 1 1 92 92 GLU CB C 92 29.618 29.618 29.486 0.132 25515 515 1 . 1 1 92 92 GLU H H 92 8.793 8.793 8.718 0.075 25515 516 1 . 1 1 93 93 GLU N N 93 118.621 118.621 117.106 1.515 25515 517 1 . 1 1 93 93 GLU HA H 93 4.185 4.185 4.126 0.059 25515 518 1 . 1 1 93 93 GLU C C 93 175.143 175.143 177.511 -2.368 25515 519 1 . 1 1 93 93 GLU CA C 93 57.885 57.885 58.295 -0.410 25515 520 1 . 1 1 93 93 GLU CB C 93 29.067 29.067 29.030 0.037 25515 521 1 . 1 1 93 93 GLU H H 93 9.356 9.356 8.701 0.655 25515 522 1 . 1 1 94 94 ASN N N 94 116.563 116.563 118.428 -1.865 25515 523 1 . 1 1 94 94 ASN HA H 94 4.911 4.911 4.756 0.155 25515 524 1 . 1 1 94 94 ASN C C 94 176.192 176.192 177.690 -1.498 25515 525 1 . 1 1 94 94 ASN CA C 94 53.311 53.311 55.018 -1.707 25515 526 1 . 1 1 94 94 ASN CB C 94 39.744 39.744 39.182 0.562 25515 527 1 . 1 1 94 94 ASN H H 94 7.881 7.881 7.800 0.081 25515 528 1 . 1 1 95 95 VAL N N 95 119.858 119.858 118.894 0.964 25515 529 1 . 1 1 95 95 VAL HA H 95 3.740 3.740 3.681 0.059 25515 530 1 . 1 1 95 95 VAL C C 95 175.715 175.715 177.039 -1.324 25515 531 1 . 1 1 95 95 VAL CA C 95 65.498 65.498 66.703 -1.205 25515 532 1 . 1 1 95 95 VAL CB C 95 31.966 31.966 31.081 0.885 25515 533 1 . 1 1 95 95 VAL H H 95 7.405 7.405 8.516 -1.110 25515 534 1 . 1 1 96 96 ASN N N 96 116.409 116.409 117.408 -0.999 25515 535 1 . 1 1 96 96 ASN HA H 96 4.458 4.458 4.573 -0.115 25515 536 1 . 1 1 96 96 ASN C C 96 175.322 175.322 176.783 -1.461 25515 537 1 . 1 1 96 96 ASN CA C 96 55.718 55.718 55.747 -0.029 25515 538 1 . 1 1 96 96 ASN CB C 96 38.216 38.216 38.301 -0.085 25515 539 1 . 1 1 96 96 ASN H H 96 8.356 8.356 8.086 0.271 25515 540 1 . 1 1 97 97 THR N N 97 111.266 111.266 113.972 -2.706 25515 541 1 . 1 1 97 97 THR HA H 97 3.993 3.993 4.111 -0.118 25515 542 1 . 1 1 97 97 THR C C 97 177.418 177.418 175.587 1.831 25515 543 1 . 1 1 97 97 THR CA C 97 63.604 63.604 65.311 -1.707 25515 544 1 . 1 1 97 97 THR CB C 97 69.162 69.162 69.000 0.162 25515 545 1 . 1 1 97 97 THR H H 97 7.575 7.575 8.323 -0.748 25515 546 1 . 1 1 98 98 TYR N N 98 119.963 119.963 119.519 0.444 25515 547 1 . 1 1 98 98 TYR HA H 98 4.322 4.322 4.339 -0.017 25515 548 1 . 1 1 98 98 TYR CA C 98 59.198 59.198 59.835 -0.637 25515 549 1 . 1 1 98 98 TYR CB C 98 39.244 39.244 39.310 -0.066 25515 550 1 . 1 1 98 98 TYR H H 98 7.480 7.480 7.816 -0.336 25515 551 1 . 1 1 99 99 PHE HA H 99 4.560 4.560 4.447 0.113 25515 552 1 . 1 1 99 99 PHE C C 99 177.317 177.317 175.654 1.663 25515 553 1 . 1 1 99 99 PHE CA C 99 57.993 57.993 58.147 -0.154 25515 554 1 . 1 1 99 99 PHE CB C 99 40.642 40.642 40.230 0.412 25515 stop_ save_