data_19235 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19235 _Entry.PDB_ID 2M89 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 19235 _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 VAL N N 2 117.791 117.791 122.207 -4.416 19235 2 1 1 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.319 0.127 19235 3 1 1 . 1 1 2 2 VAL C C 2 174.276 174.276 174.330 -0.054 19235 4 1 1 . 1 1 2 2 VAL CA C 2 60.702 60.702 62.119 -1.417 19235 5 1 1 . 1 1 2 2 VAL CB C 2 35.163 35.163 32.939 2.224 19235 6 1 1 . 1 1 2 2 VAL H H 2 8.851 8.851 8.841 0.010 19235 7 1 1 . 1 1 3 3 ASN N N 3 117.814 117.814 121.553 -3.739 19235 8 1 1 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.187 0.264 19235 9 1 1 . 1 1 3 3 ASN C C 3 175.197 175.197 174.036 1.161 19235 10 1 1 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.841 -0.383 19235 11 1 1 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.975 -0.795 19235 12 1 1 . 1 1 3 3 ASN H H 3 8.262 8.262 8.351 -0.089 19235 13 1 1 . 1 1 4 4 ILE N N 4 121.231 121.231 120.721 0.510 19235 14 1 1 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.238 -0.276 19235 15 1 1 . 1 1 4 4 ILE C C 4 175.278 175.278 174.790 0.488 19235 16 1 1 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.257 0.754 19235 17 1 1 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.312 0.025 19235 18 1 1 . 1 1 4 4 ILE H H 4 8.533 8.533 8.787 -0.254 19235 19 1 1 . 1 1 5 5 ASN N N 5 125.228 125.228 125.544 -0.316 19235 20 1 1 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.484 0.082 19235 21 1 1 . 1 1 5 5 ASN C C 5 174.061 174.061 174.037 0.024 19235 22 1 1 . 1 1 5 5 ASN CA C 5 52.660 52.660 51.852 0.808 19235 23 1 1 . 1 1 5 5 ASN CB C 5 41.661 41.661 41.314 0.347 19235 24 1 1 . 1 1 5 5 ASN H H 5 8.109 8.109 8.644 -0.535 19235 25 1 1 . 1 1 6 6 HIS N N 6 120.724 120.724 122.301 -1.577 19235 26 1 1 . 1 1 6 6 HIS HA H 6 5.285 5.285 5.036 0.249 19235 27 1 1 . 1 1 6 6 HIS C C 6 177.102 177.102 173.708 3.394 19235 28 1 1 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.247 0.379 19235 29 1 1 . 1 1 6 6 HIS CB C 6 38.564 38.564 34.020 4.544 19235 30 1 1 . 1 1 6 6 HIS H H 6 9.450 9.450 9.268 0.182 19235 31 1 1 . 1 1 7 7 ARG N N 7 124.674 124.674 121.507 3.167 19235 32 1 1 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.249 -0.410 19235 33 1 1 . 1 1 7 7 ARG C C 7 174.633 174.633 174.630 0.003 19235 34 1 1 . 1 1 7 7 ARG CA C 7 56.600 56.600 55.153 1.447 19235 35 1 1 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.683 -0.101 19235 36 1 1 . 1 1 7 7 ARG H H 7 8.973 8.973 8.767 0.206 19235 37 1 1 . 1 1 8 8 ILE N N 8 120.886 120.886 122.833 -1.947 19235 38 1 1 . 1 1 8 8 ILE H H 8 8.405 8.405 8.275 0.130 19235 39 1 1 . 1 1 10 10 ILE N N 10 120.117 120.117 122.645 -2.528 19235 40 1 1 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.566 -0.883 19235 41 1 1 . 1 1 10 10 ILE C C 10 177.081 177.081 175.310 1.771 19235 42 1 1 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.100 -0.297 19235 43 1 1 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.645 -0.870 19235 44 1 1 . 1 1 10 10 ILE H H 10 8.604 8.604 8.748 -0.144 19235 45 1 1 . 1 1 11 11 LYS N N 11 133.535 133.535 128.172 5.363 19235 46 1 1 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.331 0.160 19235 47 1 1 . 1 1 11 11 LYS C C 11 174.943 174.943 174.913 0.030 19235 48 1 1 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.323 -1.219 19235 49 1 1 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.645 -1.564 19235 50 1 1 . 1 1 11 11 LYS H H 11 10.550 10.550 9.013 1.537 19235 51 1 1 . 1 1 12 12 ALA N N 12 123.135 123.135 122.863 0.272 19235 52 1 1 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.723 -0.202 19235 53 1 1 . 1 1 12 12 ALA C C 12 176.178 176.178 175.351 0.827 19235 54 1 1 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.225 -0.461 19235 55 1 1 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.140 -0.113 19235 56 1 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.106 -0.173 19235 57 1 1 . 1 1 13 13 SER N N 13 116.710 116.710 116.759 -0.049 19235 58 1 1 . 1 1 13 13 SER HA H 13 4.588 4.588 4.558 0.030 19235 59 1 1 . 1 1 13 13 SER C C 13 174.197 174.197 174.602 -0.405 19235 60 1 1 . 1 1 13 13 SER CA C 13 56.147 56.147 55.994 0.153 19235 61 1 1 . 1 1 13 13 SER CB C 13 62.656 62.656 64.486 -1.830 19235 62 1 1 . 1 1 13 13 SER H H 13 8.492 8.492 8.576 -0.084 19235 63 1 1 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.219 -0.167 19235 64 1 1 . 1 1 14 14 PRO C C 14 178.833 178.833 178.202 0.631 19235 65 1 1 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.430 0.117 19235 66 1 1 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.830 -0.521 19235 67 1 1 . 1 1 15 15 GLU N N 15 116.821 116.821 117.694 -0.873 19235 68 1 1 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.303 -0.035 19235 69 1 1 . 1 1 15 15 GLU C C 15 180.574 180.574 178.725 1.849 19235 70 1 1 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.368 0.297 19235 71 1 1 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.427 -0.823 19235 72 1 1 . 1 1 15 15 GLU H H 15 8.821 8.821 8.062 0.759 19235 73 1 1 . 1 1 16 16 LYS N N 16 120.446 120.446 119.272 1.174 19235 74 1 1 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.127 -0.096 19235 75 1 1 . 1 1 16 16 LYS C C 16 181.277 181.277 179.284 1.993 19235 76 1 1 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.403 -0.671 19235 77 1 1 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.523 -0.606 19235 78 1 1 . 1 1 16 16 LYS H H 16 7.634 7.634 7.730 -0.096 19235 79 1 1 . 1 1 17 17 ILE N N 17 120.100 120.100 120.358 -0.258 19235 80 1 1 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.644 -0.214 19235 81 1 1 . 1 1 17 17 ILE C C 17 177.873 177.873 177.728 0.145 19235 82 1 1 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.381 -0.332 19235 83 1 1 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.208 -0.639 19235 84 1 1 . 1 1 17 17 ILE H H 17 7.797 7.797 7.855 -0.058 19235 85 1 1 . 1 1 18 18 TYR N N 18 119.139 119.139 120.293 -1.154 19235 86 1 1 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.994 -0.231 19235 87 1 1 . 1 1 18 18 TYR C C 18 181.847 181.847 178.267 3.580 19235 88 1 1 . 1 1 18 18 TYR CA C 18 62.676 62.676 61.993 0.683 19235 89 1 1 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.513 0.693 19235 90 1 1 . 1 1 18 18 TYR H H 18 9.072 9.072 8.373 0.699 19235 91 1 1 . 1 1 19 19 GLN N N 19 120.579 120.579 118.657 1.922 19235 92 1 1 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.877 -0.002 19235 93 1 1 . 1 1 19 19 GLN C C 19 178.871 178.871 178.568 0.303 19235 94 1 1 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.699 0.908 19235 95 1 1 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.867 -0.685 19235 96 1 1 . 1 1 19 19 GLN H H 19 8.330 8.330 8.474 -0.144 19235 97 1 1 . 1 1 20 20 ALA N N 20 121.903 121.903 121.666 0.237 19235 98 1 1 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.104 0.022 19235 99 1 1 . 1 1 20 20 ALA C C 20 177.058 177.058 178.542 -1.484 19235 100 1 1 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.761 -0.691 19235 101 1 1 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.712 -0.774 19235 102 1 1 . 1 1 20 20 ALA H H 20 7.451 7.451 7.907 -0.456 19235 103 1 1 . 1 1 21 21 LEU N N 21 112.471 112.471 113.123 -0.652 19235 104 1 1 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.214 -0.393 19235 105 1 1 . 1 1 21 21 LEU C C 21 178.910 178.910 176.863 2.047 19235 106 1 1 . 1 1 21 21 LEU CA C 21 54.502 54.502 54.281 0.221 19235 107 1 1 . 1 1 21 21 LEU CB C 21 44.211 44.211 41.643 2.568 19235 108 1 1 . 1 1 21 21 LEU H H 21 7.061 7.061 7.180 -0.119 19235 109 1 1 . 1 1 22 22 THR N N 22 100.722 100.722 107.999 -7.277 19235 110 1 1 . 1 1 22 22 THR HA H 22 4.558 4.558 4.322 0.236 19235 111 1 1 . 1 1 22 22 THR C C 22 175.792 175.792 174.742 1.050 19235 112 1 1 . 1 1 22 22 THR CA C 22 61.081 61.081 61.162 -0.081 19235 113 1 1 . 1 1 22 22 THR CB C 22 71.747 71.747 70.655 1.092 19235 114 1 1 . 1 1 22 22 THR H H 22 7.069 7.069 7.545 -0.476 19235 115 1 1 . 1 1 23 23 THR N N 23 109.777 109.777 112.745 -2.968 19235 116 1 1 . 1 1 23 23 THR HA H 23 4.893 4.893 4.603 0.290 19235 117 1 1 . 1 1 23 23 THR C C 23 174.449 174.449 174.394 0.055 19235 118 1 1 . 1 1 23 23 THR CA C 23 58.343 58.343 59.392 -1.049 19235 119 1 1 . 1 1 23 23 THR CB C 23 72.836 72.836 72.335 0.501 19235 120 1 1 . 1 1 23 23 THR H H 23 7.308 7.308 7.499 -0.191 19235 121 1 1 . 1 1 24 24 ASP N N 24 126.109 126.109 123.626 2.483 19235 122 1 1 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.351 -0.115 19235 123 1 1 . 1 1 24 24 ASP C C 24 179.062 179.062 177.707 1.355 19235 124 1 1 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.786 0.486 19235 125 1 1 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.192 -0.410 19235 126 1 1 . 1 1 24 24 ASP H H 24 9.248 9.248 8.967 0.281 19235 127 1 1 . 1 1 25 25 ASP N N 25 114.688 114.688 118.216 -3.528 19235 128 1 1 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.461 -0.191 19235 129 1 1 . 1 1 25 25 ASP C C 25 179.453 179.453 178.233 1.220 19235 130 1 1 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.779 0.327 19235 131 1 1 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.247 0.157 19235 132 1 1 . 1 1 25 25 ASP H H 25 8.640 8.640 8.593 0.047 19235 133 1 1 . 1 1 26 26 GLY N N 26 108.020 108.020 106.920 1.100 19235 134 1 1 . 1 1 26 26 GLY C C 26 176.629 176.629 176.018 0.611 19235 135 1 1 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.341 1.071 19235 136 1 1 . 1 1 26 26 GLY H H 26 7.756 7.756 7.618 0.138 19235 137 1 1 . 1 1 27 27 LEU N N 27 124.486 124.486 122.229 2.257 19235 138 1 1 . 1 1 27 27 LEU HA H 27 4.548 4.548 4.310 0.238 19235 139 1 1 . 1 1 27 27 LEU C C 27 180.999 180.999 179.125 1.874 19235 140 1 1 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.350 0.805 19235 141 1 1 . 1 1 27 27 LEU CB C 27 44.308 44.308 42.027 2.281 19235 142 1 1 . 1 1 27 27 LEU H H 27 8.401 8.401 8.149 0.252 19235 143 1 1 . 1 1 28 28 LYS N N 28 118.482 118.482 118.324 0.158 19235 144 1 1 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.542 -0.277 19235 145 1 1 . 1 1 28 28 LYS C C 28 179.269 179.269 178.582 0.687 19235 146 1 1 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.984 -2.037 19235 147 1 1 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.298 1.347 19235 148 1 1 . 1 1 28 28 LYS H H 28 7.864 7.864 8.414 -0.550 19235 149 1 1 . 1 1 29 29 LYS N N 29 113.309 113.309 117.774 -4.465 19235 150 1 1 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.323 -0.128 19235 151 1 1 . 1 1 29 29 LYS C C 29 178.869 178.869 177.165 1.704 19235 152 1 1 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.515 -0.689 19235 153 1 1 . 1 1 29 29 LYS CB C 29 32.849 32.849 32.897 -0.048 19235 154 1 1 . 1 1 29 29 LYS H H 29 7.666 7.666 7.494 0.172 19235 155 1 1 . 1 1 30 30 TRP N N 30 108.469 108.469 120.869 -12.400 19235 156 1 1 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.638 0.622 19235 157 1 1 . 1 1 30 30 TRP C C 30 176.975 176.975 177.508 -0.533 19235 158 1 1 . 1 1 30 30 TRP CA C 30 55.592 55.592 59.707 -4.115 19235 159 1 1 . 1 1 30 30 TRP CB C 30 31.448 31.448 30.329 1.119 19235 160 1 1 . 1 1 30 30 TRP H H 30 7.427 7.427 7.580 -0.153 19235 161 1 1 . 1 1 31 31 TRP N N 31 124.489 124.489 119.165 5.324 19235 162 1 1 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.036 1.195 19235 163 1 1 . 1 1 31 31 TRP C C 31 175.907 175.907 176.394 -0.487 19235 164 1 1 . 1 1 31 31 TRP CA C 31 56.687 56.687 58.087 -1.400 19235 165 1 1 . 1 1 31 31 TRP CB C 31 28.988 28.988 31.507 -2.519 19235 166 1 1 . 1 1 31 31 TRP H H 31 7.525 7.525 8.385 -0.860 19235 167 1 1 . 1 1 32 32 THR N N 32 107.670 107.670 109.762 -2.092 19235 168 1 1 . 1 1 32 32 THR HA H 32 5.064 5.064 4.425 0.639 19235 169 1 1 . 1 1 32 32 THR C C 32 171.071 171.071 173.362 -2.291 19235 170 1 1 . 1 1 32 32 THR CA C 32 57.486 57.486 60.005 -2.519 19235 171 1 1 . 1 1 32 32 THR CB C 32 67.302 67.302 69.740 -2.438 19235 172 1 1 . 1 1 32 32 THR H H 32 6.582 6.582 7.640 -1.058 19235 173 1 1 . 1 1 33 33 ASN N N 33 118.705 118.705 119.586 -0.881 19235 174 1 1 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.758 -0.043 19235 175 1 1 . 1 1 33 33 ASN C C 33 176.424 176.424 175.629 0.795 19235 176 1 1 . 1 1 33 33 ASN CA C 33 54.187 54.187 54.822 -0.635 19235 177 1 1 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.997 -1.119 19235 178 1 1 . 1 1 33 33 ASN H H 33 8.281 8.281 8.751 -0.470 19235 179 1 1 . 1 1 34 34 ASP N N 34 121.174 121.174 120.883 0.291 19235 180 1 1 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.809 -0.079 19235 181 1 1 . 1 1 34 34 ASP C C 34 174.163 174.163 173.921 0.242 19235 182 1 1 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.305 -0.606 19235 183 1 1 . 1 1 34 34 ASP CB C 34 40.440 40.440 40.350 0.090 19235 184 1 1 . 1 1 34 34 ASP H H 34 6.751 6.751 7.945 -1.194 19235 185 1 1 . 1 1 35 35 ILE N N 35 120.932 120.932 125.802 -4.870 19235 186 1 1 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.840 -0.277 19235 187 1 1 . 1 1 35 35 ILE C C 35 175.512 175.512 174.391 1.121 19235 188 1 1 . 1 1 35 35 ILE CA C 35 60.429 60.429 60.174 0.255 19235 189 1 1 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.635 0.474 19235 190 1 1 . 1 1 35 35 ILE H H 35 6.805 6.805 7.718 -0.913 19235 191 1 1 . 1 1 36 36 SER N N 36 117.993 117.993 118.673 -0.680 19235 192 1 1 . 1 1 36 36 SER HA H 36 4.600 4.600 4.745 -0.145 19235 193 1 1 . 1 1 36 36 SER C C 36 174.509 174.509 173.921 0.588 19235 194 1 1 . 1 1 36 36 SER CA C 36 56.936 56.936 56.427 0.509 19235 195 1 1 . 1 1 36 36 SER CB C 36 65.556 65.556 66.305 -0.749 19235 196 1 1 . 1 1 36 36 SER H H 36 7.508 7.508 8.549 -1.041 19235 197 1 1 . 1 1 37 37 GLY N N 37 112.153 112.153 109.599 2.554 19235 198 1 1 . 1 1 37 37 GLY C C 37 175.786 175.786 173.435 2.351 19235 199 1 1 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.132 -0.264 19235 200 1 1 . 1 1 37 37 GLY H H 37 8.914 8.914 8.673 0.241 19235 201 1 1 . 1 1 38 38 ALA N N 38 125.303 125.303 126.584 -1.281 19235 202 1 1 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.888 -0.239 19235 203 1 1 . 1 1 38 38 ALA C C 38 179.569 179.569 176.354 3.215 19235 204 1 1 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.254 2.045 19235 205 1 1 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.072 0.194 19235 206 1 1 . 1 1 38 38 ALA H H 38 10.037 10.037 8.196 1.841 19235 207 1 1 . 1 1 39 39 GLY N N 39 110.076 110.076 106.018 4.058 19235 208 1 1 . 1 1 39 39 GLY C C 39 175.023 175.023 173.516 1.507 19235 209 1 1 . 1 1 39 39 GLY CA C 39 45.930 45.930 44.163 1.767 19235 210 1 1 . 1 1 39 39 GLY H H 39 6.982 6.982 8.064 -1.082 19235 211 1 1 . 1 1 40 40 VAL N N 40 114.196 114.196 115.553 -1.357 19235 212 1 1 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.494 -0.210 19235 213 1 1 . 1 1 40 40 VAL C C 40 177.795 177.795 175.414 2.381 19235 214 1 1 . 1 1 40 40 VAL CA C 40 61.133 61.133 59.799 1.334 19235 215 1 1 . 1 1 40 40 VAL CB C 40 32.878 32.878 34.577 -1.698 19235 216 1 1 . 1 1 40 40 VAL H H 40 7.857 7.857 7.823 0.034 19235 217 1 1 . 1 1 41 41 VAL N N 41 120.950 120.950 120.359 0.591 19235 218 1 1 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.638 -0.070 19235 219 1 1 . 1 1 41 41 VAL C C 41 177.788 177.788 176.858 0.930 19235 220 1 1 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.735 1.461 19235 221 1 1 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.096 0.092 19235 222 1 1 . 1 1 41 41 VAL H H 41 8.469 8.469 8.411 0.058 19235 223 1 1 . 1 1 42 42 GLY N N 42 116.155 116.155 116.521 -0.366 19235 224 1 1 . 1 1 42 42 GLY C C 42 176.032 176.032 174.519 1.513 19235 225 1 1 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.871 -0.479 19235 226 1 1 . 1 1 42 42 GLY H H 42 9.266 9.266 8.953 0.313 19235 227 1 1 . 1 1 43 43 SER N N 43 118.352 118.352 118.316 0.036 19235 228 1 1 . 1 1 43 43 SER HA H 43 4.385 4.385 4.748 -0.363 19235 229 1 1 . 1 1 43 43 SER C C 43 173.302 173.302 173.443 -0.141 19235 230 1 1 . 1 1 43 43 SER CA C 43 59.910 59.910 58.668 1.242 19235 231 1 1 . 1 1 43 43 SER CB C 43 63.931 63.931 64.976 -1.045 19235 232 1 1 . 1 1 43 43 SER H H 43 8.408 8.408 8.217 0.191 19235 233 1 1 . 1 1 44 44 THR N N 44 118.418 118.418 116.742 1.676 19235 234 1 1 . 1 1 44 44 THR HA H 44 4.815 4.815 4.823 -0.008 19235 235 1 1 . 1 1 44 44 THR C C 44 173.450 173.450 173.914 -0.464 19235 236 1 1 . 1 1 44 44 THR CA C 44 62.444 62.444 61.722 0.722 19235 237 1 1 . 1 1 44 44 THR CB C 44 69.663 69.663 70.286 -0.623 19235 238 1 1 . 1 1 44 44 THR H H 44 8.386 8.386 8.171 0.215 19235 239 1 1 . 1 1 45 45 ILE N N 45 127.861 127.861 127.809 0.052 19235 240 1 1 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.253 -0.415 19235 241 1 1 . 1 1 45 45 ILE C C 45 176.164 176.164 174.686 1.478 19235 242 1 1 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.622 -0.199 19235 243 1 1 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.651 -1.118 19235 244 1 1 . 1 1 45 45 ILE H H 45 9.423 9.423 9.171 0.252 19235 245 1 1 . 1 1 46 46 LYS N N 46 125.403 125.403 127.015 -1.612 19235 246 1 1 . 1 1 46 46 LYS HA H 46 4.523 4.523 4.933 -0.410 19235 247 1 1 . 1 1 46 46 LYS C C 46 176.574 176.574 175.492 1.082 19235 248 1 1 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.964 0.662 19235 249 1 1 . 1 1 46 46 LYS CB C 46 31.949 31.949 33.593 -1.644 19235 250 1 1 . 1 1 46 46 LYS H H 46 8.388 8.388 8.492 -0.104 19235 251 1 1 . 1 1 47 47 PHE N N 47 124.081 124.081 124.586 -0.505 19235 252 1 1 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.876 -0.475 19235 253 1 1 . 1 1 47 47 PHE C C 47 177.107 177.107 175.460 1.647 19235 254 1 1 . 1 1 47 47 PHE CA C 47 57.154 57.154 57.425 -0.271 19235 255 1 1 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.190 -1.553 19235 256 1 1 . 1 1 47 47 PHE H H 47 8.026 8.026 8.720 -0.694 19235 257 1 1 . 1 1 48 48 ARG N N 48 121.376 121.376 121.843 -0.467 19235 258 1 1 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.822 -0.262 19235 259 1 1 . 1 1 48 48 ARG C C 48 175.042 175.042 174.548 0.494 19235 260 1 1 . 1 1 48 48 ARG CA C 48 52.582 52.582 54.574 -1.992 19235 261 1 1 . 1 1 48 48 ARG CB C 48 32.558 32.558 32.282 0.276 19235 262 1 1 . 1 1 48 48 ARG H H 48 8.521 8.521 8.865 -0.344 19235 263 1 1 . 1 1 49 49 PHE N N 49 121.884 121.884 120.848 1.036 19235 264 1 1 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.746 -0.947 19235 265 1 1 . 1 1 49 49 PHE C C 49 175.580 175.580 173.648 1.932 19235 266 1 1 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.576 -1.270 19235 267 1 1 . 1 1 49 49 PHE CB C 49 37.110 37.110 40.558 -3.448 19235 268 1 1 . 1 1 49 49 PHE H H 49 8.649 8.649 8.087 0.562 19235 269 1 1 . 1 1 50 50 ASN N N 50 121.994 121.994 120.854 1.140 19235 270 1 1 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.640 -0.228 19235 271 1 1 . 1 1 50 50 ASN C C 50 177.277 177.277 175.984 1.293 19235 272 1 1 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.036 0.281 19235 273 1 1 . 1 1 50 50 ASN CB C 50 37.124 37.124 37.449 -0.325 19235 274 1 1 . 1 1 50 50 ASN H H 50 9.296 9.296 9.118 0.178 19235 275 1 1 . 1 1 51 51 GLY N N 51 103.211 103.211 112.370 -9.159 19235 276 1 1 . 1 1 51 51 GLY C C 51 175.077 175.077 173.721 1.356 19235 277 1 1 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.030 0.598 19235 278 1 1 . 1 1 51 51 GLY H H 51 8.532 8.532 8.230 0.302 19235 279 1 1 . 1 1 52 52 GLY N N 52 106.323 106.323 110.362 -4.039 19235 280 1 1 . 1 1 52 52 GLY C C 52 173.770 173.770 173.769 0.001 19235 281 1 1 . 1 1 52 52 GLY CA C 52 43.487 43.487 45.123 -1.636 19235 282 1 1 . 1 1 52 52 GLY H H 52 7.215 7.215 7.027 0.188 19235 283 1 1 . 1 1 53 53 GLY N N 53 109.867 109.867 109.616 0.251 19235 284 1 1 . 1 1 53 53 GLY C C 53 169.984 169.984 173.182 -3.198 19235 285 1 1 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.498 2.006 19235 286 1 1 . 1 1 53 53 GLY H H 53 8.412 8.412 7.849 0.563 19235 287 1 1 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.402 0.961 19235 288 1 1 . 1 1 54 54 PRO C C 54 175.960 175.960 175.217 0.743 19235 289 1 1 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.194 0.440 19235 290 1 1 . 1 1 54 54 PRO CB C 54 33.340 33.340 33.592 -0.252 19235 291 1 1 . 1 1 55 55 ASP N N 55 118.374 118.374 119.395 -1.021 19235 292 1 1 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.361 0.417 19235 293 1 1 . 1 1 55 55 ASP C C 55 176.144 176.144 174.901 1.243 19235 294 1 1 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.275 -1.699 19235 295 1 1 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.438 -2.967 19235 296 1 1 . 1 1 55 55 ASP H H 55 6.732 6.732 8.265 -1.533 19235 297 1 1 . 1 1 56 56 PHE N N 56 116.916 116.916 122.564 -5.648 19235 298 1 1 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.988 0.095 19235 299 1 1 . 1 1 56 56 PHE C C 56 175.088 175.088 174.602 0.486 19235 300 1 1 . 1 1 56 56 PHE CA C 56 57.362 57.362 55.243 2.119 19235 301 1 1 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.525 1.771 19235 302 1 1 . 1 1 56 56 PHE H H 56 9.140 9.140 9.172 -0.032 19235 303 1 1 . 1 1 57 57 LYS N N 57 123.219 123.219 125.230 -2.011 19235 304 1 1 . 1 1 57 57 LYS HA H 57 5.238 5.238 5.014 0.224 19235 305 1 1 . 1 1 57 57 LYS C C 57 177.979 177.979 175.814 2.165 19235 306 1 1 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.070 -0.760 19235 307 1 1 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.699 -0.769 19235 308 1 1 . 1 1 57 57 LYS H H 57 9.574 9.574 9.221 0.353 19235 309 1 1 . 1 1 58 58 VAL N N 58 127.037 127.037 128.137 -1.100 19235 310 1 1 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.155 0.512 19235 311 1 1 . 1 1 58 58 VAL C C 58 178.738 178.738 176.213 2.525 19235 312 1 1 . 1 1 58 58 VAL CA C 58 63.756 63.756 63.393 0.363 19235 313 1 1 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.849 -0.117 19235 314 1 1 . 1 1 58 58 VAL H H 58 9.196 9.196 8.741 0.455 19235 315 1 1 . 1 1 59 59 THR N N 59 120.775 120.775 120.030 0.745 19235 316 1 1 . 1 1 59 59 THR HA H 59 4.716 4.716 4.503 0.213 19235 317 1 1 . 1 1 59 59 THR C C 59 177.001 177.001 174.699 2.302 19235 318 1 1 . 1 1 59 59 THR CA C 59 62.615 62.615 62.127 0.488 19235 319 1 1 . 1 1 59 59 THR CB C 59 69.528 69.528 69.919 -0.391 19235 320 1 1 . 1 1 59 59 THR H H 59 9.470 9.470 9.080 0.390 19235 321 1 1 . 1 1 60 60 LYS N N 60 123.315 123.315 121.635 1.680 19235 322 1 1 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.579 -0.147 19235 323 1 1 . 1 1 60 60 LYS C C 60 174.225 174.225 174.109 0.116 19235 324 1 1 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.447 1.472 19235 325 1 1 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.423 -1.092 19235 326 1 1 . 1 1 60 60 LYS H H 60 7.819 7.819 7.947 -0.128 19235 327 1 1 . 1 1 61 61 LEU N N 61 125.573 125.573 127.033 -1.460 19235 328 1 1 . 1 1 61 61 LEU HA H 61 5.215 5.215 4.877 0.338 19235 329 1 1 . 1 1 61 61 LEU C C 61 177.508 177.508 175.759 1.749 19235 330 1 1 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.866 0.488 19235 331 1 1 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.729 0.040 19235 332 1 1 . 1 1 61 61 LEU H H 61 8.354 8.354 8.607 -0.253 19235 333 1 1 . 1 1 62 62 ILE N N 62 124.326 124.326 124.306 0.020 19235 334 1 1 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.620 0.151 19235 335 1 1 . 1 1 62 62 ILE C C 62 175.200 175.200 173.913 1.287 19235 336 1 1 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.978 0.978 19235 337 1 1 . 1 1 62 62 ILE CB C 62 38.287 38.287 40.422 -2.135 19235 338 1 1 . 1 1 62 62 ILE H H 62 9.340 9.340 8.963 0.377 19235 339 1 1 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.769 -0.481 19235 340 1 1 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.498 0.370 19235 341 1 1 . 1 1 64 64 ASN N N 64 113.559 113.559 115.611 -2.052 19235 342 1 1 . 1 1 64 64 ASN HA H 64 3.455 3.455 4.188 -0.733 19235 343 1 1 . 1 1 64 64 ASN C C 64 174.053 174.053 174.461 -0.408 19235 344 1 1 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.523 0.849 19235 345 1 1 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.546 0.324 19235 346 1 1 . 1 1 64 64 ASN H H 64 4.547 4.547 7.159 -2.612 19235 347 1 1 . 1 1 65 65 LYS N N 65 116.786 116.786 116.940 -0.154 19235 348 1 1 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.492 0.321 19235 349 1 1 . 1 1 65 65 LYS C C 65 176.349 176.349 174.709 1.640 19235 350 1 1 . 1 1 65 65 LYS CA C 65 59.028 59.028 56.126 2.902 19235 351 1 1 . 1 1 65 65 LYS CB C 65 36.436 36.436 34.589 1.847 19235 352 1 1 . 1 1 65 65 LYS H H 65 8.222 8.222 7.917 0.305 19235 353 1 1 . 1 1 66 66 THR N N 66 114.184 114.184 117.804 -3.620 19235 354 1 1 . 1 1 66 66 THR HA H 66 5.462 5.462 4.964 0.498 19235 355 1 1 . 1 1 66 66 THR C C 66 173.770 173.770 173.760 0.010 19235 356 1 1 . 1 1 66 66 THR CA C 66 62.725 62.725 62.675 0.050 19235 357 1 1 . 1 1 66 66 THR CB C 66 73.439 73.439 69.773 3.666 19235 358 1 1 . 1 1 66 66 THR H H 66 8.667 8.667 8.101 0.566 19235 359 1 1 . 1 1 67 67 VAL N N 67 127.075 127.075 127.557 -0.482 19235 360 1 1 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.932 -0.226 19235 361 1 1 . 1 1 67 67 VAL C C 67 176.093 176.093 174.277 1.816 19235 362 1 1 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.535 1.423 19235 363 1 1 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.590 0.587 19235 364 1 1 . 1 1 67 67 VAL H H 67 8.777 8.777 9.437 -0.660 19235 365 1 1 . 1 1 68 68 CYS N N 68 122.749 122.749 125.532 -2.783 19235 366 1 1 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.337 0.146 19235 367 1 1 . 1 1 68 68 CYS C C 68 174.607 174.607 173.103 1.504 19235 368 1 1 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.150 0.987 19235 369 1 1 . 1 1 68 68 CYS CB C 68 30.674 30.674 30.670 0.004 19235 370 1 1 . 1 1 68 68 CYS H H 68 8.987 8.987 8.913 0.074 19235 371 1 1 . 1 1 69 69 TRP N N 69 123.217 123.217 125.419 -2.202 19235 372 1 1 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.423 0.889 19235 373 1 1 . 1 1 69 69 TRP C C 69 178.064 178.064 172.811 5.253 19235 374 1 1 . 1 1 69 69 TRP CA C 69 52.798 52.798 55.224 -2.426 19235 375 1 1 . 1 1 69 69 TRP CB C 69 36.140 36.140 31.589 4.551 19235 376 1 1 . 1 1 69 69 TRP H H 69 9.612 9.612 8.609 1.003 19235 377 1 1 . 1 1 70 70 GLN N N 70 122.556 122.556 119.985 2.571 19235 378 1 1 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.977 0.307 19235 379 1 1 . 1 1 70 70 GLN C C 70 176.295 176.295 174.808 1.487 19235 380 1 1 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.160 0.726 19235 381 1 1 . 1 1 70 70 GLN CB C 70 33.277 33.277 33.649 -0.372 19235 382 1 1 . 1 1 70 70 GLN H H 70 10.132 10.132 9.145 0.987 19235 383 1 1 . 1 1 71 71 HIS N N 71 128.443 128.443 126.969 1.474 19235 384 1 1 . 1 1 71 71 HIS HA H 71 3.986 3.986 5.134 -1.148 19235 385 1 1 . 1 1 71 71 HIS C C 71 175.251 175.251 174.018 1.233 19235 386 1 1 . 1 1 71 71 HIS CA C 71 60.992 60.992 57.992 3.000 19235 387 1 1 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.116 0.110 19235 388 1 1 . 1 1 71 71 HIS H H 71 8.947 8.947 8.632 0.315 19235 389 1 1 . 1 1 72 72 ALA N N 72 131.788 131.788 127.882 3.906 19235 390 1 1 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.879 -0.172 19235 391 1 1 . 1 1 72 72 ALA C C 72 176.274 176.274 175.124 1.150 19235 392 1 1 . 1 1 72 72 ALA CA C 72 50.501 50.501 50.279 0.222 19235 393 1 1 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.573 -1.201 19235 394 1 1 . 1 1 72 72 ALA H H 72 7.954 7.954 8.321 -0.367 19235 395 1 1 . 1 1 73 73 GLY N N 73 107.065 107.065 108.772 -1.707 19235 396 1 1 . 1 1 73 73 GLY C C 73 175.476 175.476 173.035 2.441 19235 397 1 1 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.215 -0.308 19235 398 1 1 . 1 1 73 73 GLY H H 73 8.037 8.037 8.057 -0.020 19235 399 1 1 . 1 1 74 74 ASN N N 74 117.053 117.053 119.266 -2.213 19235 400 1 1 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.954 0.304 19235 401 1 1 . 1 1 74 74 ASN C C 74 175.858 175.858 174.903 0.955 19235 402 1 1 . 1 1 74 74 ASN CA C 74 52.628 52.628 52.649 -0.021 19235 403 1 1 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.302 1.316 19235 404 1 1 . 1 1 74 74 ASN H H 74 8.214 8.214 8.526 -0.312 19235 405 1 1 . 1 1 75 75 MET N N 75 118.795 118.795 120.687 -1.892 19235 406 1 1 . 1 1 75 75 MET HA H 75 4.972 4.972 4.735 0.237 19235 407 1 1 . 1 1 75 75 MET C C 75 176.426 176.426 174.434 1.992 19235 408 1 1 . 1 1 75 75 MET CA C 75 52.203 52.203 52.251 -0.048 19235 409 1 1 . 1 1 75 75 MET CB C 75 35.318 35.318 31.125 4.192 19235 410 1 1 . 1 1 75 75 MET H H 75 8.685 8.685 7.801 0.884 19235 411 1 1 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.541 0.377 19235 412 1 1 . 1 1 76 76 PRO C C 76 179.193 179.193 177.487 1.706 19235 413 1 1 . 1 1 76 76 PRO CA C 76 62.896 62.896 63.011 -0.115 19235 414 1 1 . 1 1 76 76 PRO CB C 76 32.869 32.869 32.651 0.218 19235 415 1 1 . 1 1 77 77 GLU N N 77 124.888 124.888 123.222 1.666 19235 416 1 1 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.926 -0.124 19235 417 1 1 . 1 1 77 77 GLU C C 77 181.035 181.035 178.500 2.535 19235 418 1 1 . 1 1 77 77 GLU CA C 77 60.350 60.350 60.256 0.094 19235 419 1 1 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.628 -0.461 19235 420 1 1 . 1 1 77 77 GLU H H 77 9.141 9.141 8.930 0.211 19235 421 1 1 . 1 1 78 78 SER N N 78 111.049 111.049 112.738 -1.689 19235 422 1 1 . 1 1 78 78 SER HA H 78 4.335 4.335 4.150 0.185 19235 423 1 1 . 1 1 78 78 SER C C 78 174.864 174.864 176.181 -1.317 19235 424 1 1 . 1 1 78 78 SER CA C 78 60.184 60.184 60.869 -0.685 19235 425 1 1 . 1 1 78 78 SER CB C 78 63.543 63.543 62.553 0.990 19235 426 1 1 . 1 1 78 78 SER H H 78 8.349 8.349 8.463 -0.114 19235 427 1 1 . 1 1 79 79 TRP N N 79 115.554 115.554 122.942 -7.388 19235 428 1 1 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.617 -0.302 19235 429 1 1 . 1 1 79 79 TRP C C 79 178.135 178.135 179.509 -1.374 19235 430 1 1 . 1 1 79 79 TRP CA C 79 54.664 54.664 59.055 -4.391 19235 431 1 1 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.644 -2.688 19235 432 1 1 . 1 1 79 79 TRP H H 79 7.492 7.492 8.128 -0.636 19235 433 1 1 . 1 1 80 80 MET N N 80 123.060 123.060 117.257 5.803 19235 434 1 1 . 1 1 80 80 MET HA H 80 4.677 4.677 4.607 0.070 19235 435 1 1 . 1 1 80 80 MET C C 80 179.026 179.026 177.950 1.076 19235 436 1 1 . 1 1 80 80 MET CA C 80 58.410 58.410 57.026 1.384 19235 437 1 1 . 1 1 80 80 MET CB C 80 32.136 32.136 32.392 -0.256 19235 438 1 1 . 1 1 80 80 MET H H 80 7.570 7.570 8.092 -0.522 19235 439 1 1 . 1 1 81 81 GLY N N 81 112.489 112.489 105.220 7.269 19235 440 1 1 . 1 1 81 81 GLY C C 81 176.316 176.316 174.067 2.249 19235 441 1 1 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.542 1.314 19235 442 1 1 . 1 1 81 81 GLY H H 81 9.025 9.025 7.965 1.060 19235 443 1 1 . 1 1 82 82 THR N N 82 110.515 110.515 119.902 -9.387 19235 444 1 1 . 1 1 82 82 THR HA H 82 4.925 4.925 4.302 0.623 19235 445 1 1 . 1 1 82 82 THR C C 82 175.233 175.233 173.030 2.203 19235 446 1 1 . 1 1 82 82 THR CA C 82 61.666 61.666 63.709 -2.043 19235 447 1 1 . 1 1 82 82 THR CB C 82 72.105 72.105 69.121 2.984 19235 448 1 1 . 1 1 82 82 THR H H 82 8.201 8.201 7.476 0.725 19235 449 1 1 . 1 1 83 83 GLU N N 83 117.578 117.578 127.151 -9.573 19235 450 1 1 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.029 0.275 19235 451 1 1 . 1 1 83 83 GLU C C 83 175.305 175.305 174.807 0.498 19235 452 1 1 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.866 -0.037 19235 453 1 1 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.533 0.245 19235 454 1 1 . 1 1 83 83 GLU H H 83 8.098 8.098 9.071 -0.973 19235 455 1 1 . 1 1 84 84 ILE N N 84 122.729 122.729 121.071 1.658 19235 456 1 1 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.359 0.485 19235 457 1 1 . 1 1 84 84 ILE C C 84 175.731 175.731 173.665 2.066 19235 458 1 1 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.608 -0.476 19235 459 1 1 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.179 0.286 19235 460 1 1 . 1 1 84 84 ILE H H 84 9.191 9.191 8.538 0.653 19235 461 1 1 . 1 1 85 85 SER N N 85 119.684 119.684 120.005 -0.321 19235 462 1 1 . 1 1 85 85 SER HA H 85 5.269 5.269 4.695 0.574 19235 463 1 1 . 1 1 85 85 SER C C 85 173.140 173.140 172.347 0.793 19235 464 1 1 . 1 1 85 85 SER CA C 85 55.616 55.616 56.886 -1.270 19235 465 1 1 . 1 1 85 85 SER CB C 85 66.396 66.396 65.816 0.580 19235 466 1 1 . 1 1 85 85 SER H H 85 8.264 8.264 8.590 -0.326 19235 467 1 1 . 1 1 86 86 PHE N N 86 120.734 120.734 125.653 -4.919 19235 468 1 1 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.180 -0.372 19235 469 1 1 . 1 1 86 86 PHE C C 86 175.882 175.882 172.997 2.885 19235 470 1 1 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.707 -0.562 19235 471 1 1 . 1 1 86 86 PHE CB C 86 41.089 41.089 42.338 -1.249 19235 472 1 1 . 1 1 86 86 PHE H H 86 9.202 9.202 9.236 -0.034 19235 473 1 1 . 1 1 87 87 GLN N N 87 120.452 120.452 125.951 -5.499 19235 474 1 1 . 1 1 87 87 GLN HA H 87 5.421 5.421 4.714 0.707 19235 475 1 1 . 1 1 87 87 GLN C C 87 176.561 176.561 173.834 2.727 19235 476 1 1 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.006 -0.056 19235 477 1 1 . 1 1 87 87 GLN CB C 87 30.701 30.701 32.532 -1.831 19235 478 1 1 . 1 1 87 87 GLN H H 87 8.663 8.663 8.804 -0.141 19235 479 1 1 . 1 1 88 88 LEU N N 88 126.610 126.610 123.003 3.607 19235 480 1 1 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.158 0.292 19235 481 1 1 . 1 1 88 88 LEU C C 88 178.015 178.015 176.179 1.836 19235 482 1 1 . 1 1 88 88 LEU CA C 88 54.286 54.286 53.319 0.967 19235 483 1 1 . 1 1 88 88 LEU CB C 88 41.965 41.965 45.014 -3.049 19235 484 1 1 . 1 1 88 88 LEU H H 88 9.315 9.315 8.757 0.558 19235 485 1 1 . 1 1 89 89 GLU N N 89 123.568 123.568 121.734 1.834 19235 486 1 1 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.744 0.048 19235 487 1 1 . 1 1 89 89 GLU C C 89 176.006 176.006 175.112 0.894 19235 488 1 1 . 1 1 89 89 GLU CA C 89 55.458 55.458 55.006 0.452 19235 489 1 1 . 1 1 89 89 GLU CB C 89 32.625 32.625 33.575 -0.950 19235 490 1 1 . 1 1 89 89 GLU H H 89 8.862 8.862 8.984 -0.122 19235 491 1 1 . 1 1 90 90 THR N N 90 124.266 124.266 122.869 1.397 19235 492 1 1 . 1 1 90 90 THR HA H 90 4.828 4.828 4.407 0.421 19235 493 1 1 . 1 1 90 90 THR C C 90 175.572 175.572 174.230 1.342 19235 494 1 1 . 1 1 90 90 THR CA C 90 63.397 63.397 63.852 -0.455 19235 495 1 1 . 1 1 90 90 THR CB C 90 69.628 69.628 69.164 0.464 19235 496 1 1 . 1 1 90 90 THR H H 90 9.120 9.120 8.575 0.545 19235 497 1 1 . 1 1 91 91 VAL N N 91 125.506 125.506 128.102 -2.596 19235 498 1 1 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.311 0.186 19235 499 1 1 . 1 1 91 91 VAL C C 91 176.665 176.665 175.593 1.072 19235 500 1 1 . 1 1 91 91 VAL CA C 91 61.191 61.191 61.386 -0.195 19235 501 1 1 . 1 1 91 91 VAL CB C 91 33.502 33.502 32.805 0.697 19235 502 1 1 . 1 1 91 91 VAL H H 91 8.729 8.729 8.855 -0.126 19235 503 1 1 . 1 1 92 92 GLU C C 92 177.778 177.778 176.396 1.382 19235 504 1 1 . 1 1 93 93 ASN N N 93 115.899 115.899 120.739 -4.840 19235 505 1 1 . 1 1 93 93 ASN C C 93 174.644 174.644 173.972 0.672 19235 506 1 1 . 1 1 93 93 ASN H H 93 8.372 8.372 8.655 -0.283 19235 507 1 1 . 1 1 94 94 GLN N N 94 114.412 114.412 116.955 -2.543 19235 508 1 1 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.739 -0.121 19235 509 1 1 . 1 1 94 94 GLN C C 94 173.810 173.810 173.799 0.011 19235 510 1 1 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.420 0.243 19235 511 1 1 . 1 1 94 94 GLN CB C 94 29.779 29.779 31.476 -1.697 19235 512 1 1 . 1 1 94 94 GLN H H 94 7.505 7.505 7.862 -0.357 19235 513 1 1 . 1 1 95 95 THR N N 95 117.223 117.223 116.385 0.838 19235 514 1 1 . 1 1 95 95 THR HA H 95 4.889 4.889 4.718 0.171 19235 515 1 1 . 1 1 95 95 THR C C 95 175.599 175.599 173.072 2.527 19235 516 1 1 . 1 1 95 95 THR CA C 95 61.633 61.633 62.463 -0.830 19235 517 1 1 . 1 1 95 95 THR CB C 95 70.071 70.071 70.624 -0.553 19235 518 1 1 . 1 1 95 95 THR H H 95 8.975 8.975 8.732 0.243 19235 519 1 1 . 1 1 96 96 PHE N N 96 125.360 125.360 129.202 -3.842 19235 520 1 1 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.723 0.009 19235 521 1 1 . 1 1 96 96 PHE C C 96 176.859 176.859 173.569 3.290 19235 522 1 1 . 1 1 96 96 PHE CA C 96 58.180 58.180 57.097 1.083 19235 523 1 1 . 1 1 96 96 PHE CB C 96 40.094 40.094 41.089 -0.994 19235 524 1 1 . 1 1 96 96 PHE H H 96 9.499 9.499 9.273 0.226 19235 525 1 1 . 1 1 97 97 VAL N N 97 122.027 122.027 127.486 -5.459 19235 526 1 1 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.292 0.225 19235 527 1 1 . 1 1 97 97 VAL C C 97 175.876 175.876 174.618 1.258 19235 528 1 1 . 1 1 97 97 VAL CA C 97 61.363 61.363 60.970 0.393 19235 529 1 1 . 1 1 97 97 VAL CB C 97 32.379 32.379 33.018 -0.639 19235 530 1 1 . 1 1 97 97 VAL H H 97 9.394 9.394 8.505 0.889 19235 531 1 1 . 1 1 98 98 ARG N N 98 126.680 126.680 125.994 0.686 19235 532 1 1 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.898 -0.707 19235 533 1 1 . 1 1 98 98 ARG C C 98 176.185 176.185 174.364 1.821 19235 534 1 1 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.354 0.447 19235 535 1 1 . 1 1 98 98 ARG CB C 98 29.500 29.500 32.117 -2.617 19235 536 1 1 . 1 1 98 98 ARG H H 98 9.245 9.245 8.622 0.623 19235 537 1 1 . 1 1 99 99 PHE N N 99 131.125 131.125 127.573 3.552 19235 538 1 1 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.250 -0.378 19235 539 1 1 . 1 1 99 99 PHE C C 99 174.793 174.793 173.676 1.117 19235 540 1 1 . 1 1 99 99 PHE CA C 99 55.727 55.727 56.006 -0.279 19235 541 1 1 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.890 -0.319 19235 542 1 1 . 1 1 99 99 PHE H H 99 8.723 8.723 9.266 -0.543 19235 543 1 1 . 1 1 100 100 THR N N 100 124.512 124.512 125.454 -0.942 19235 544 1 1 . 1 1 100 100 THR HA H 100 5.062 5.062 4.865 0.197 19235 545 1 1 . 1 1 100 100 THR C C 100 173.105 173.105 171.951 1.154 19235 546 1 1 . 1 1 100 100 THR CA C 100 59.971 59.971 60.972 -1.001 19235 547 1 1 . 1 1 100 100 THR CB C 100 71.127 71.127 70.266 0.861 19235 548 1 1 . 1 1 100 100 THR H H 100 8.020 8.020 8.491 -0.471 19235 549 1 1 . 1 1 101 101 HIS N N 101 127.719 127.719 127.761 -0.042 19235 550 1 1 . 1 1 101 101 HIS HA H 101 5.043 5.043 4.716 0.327 19235 551 1 1 . 1 1 101 101 HIS C C 101 176.440 176.440 174.071 2.369 19235 552 1 1 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.417 -0.512 19235 553 1 1 . 1 1 101 101 HIS CB C 101 32.335 32.335 31.526 0.809 19235 554 1 1 . 1 1 101 101 HIS H H 101 8.714 8.714 9.182 -0.468 19235 555 1 1 . 1 1 102 102 SER N N 102 121.048 121.048 124.457 -3.409 19235 556 1 1 . 1 1 102 102 SER HA H 102 5.023 5.023 4.709 0.314 19235 557 1 1 . 1 1 102 102 SER C C 102 175.564 175.564 173.892 1.672 19235 558 1 1 . 1 1 102 102 SER CA C 102 57.264 57.264 56.899 0.365 19235 559 1 1 . 1 1 102 102 SER CB C 102 66.564 66.564 65.748 0.816 19235 560 1 1 . 1 1 102 102 SER H H 102 9.804 9.804 8.105 1.699 19235 561 1 1 . 1 1 103 103 ASN N N 103 110.931 110.931 114.428 -3.497 19235 562 1 1 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.334 0.058 19235 563 1 1 . 1 1 103 103 ASN C C 103 176.631 176.631 173.905 2.726 19235 564 1 1 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.794 -0.408 19235 565 1 1 . 1 1 103 103 ASN CB C 103 36.533 36.533 37.033 -0.500 19235 566 1 1 . 1 1 103 103 ASN H H 103 8.304 8.304 8.510 -0.206 19235 567 1 1 . 1 1 104 104 TRP N N 104 119.944 119.944 119.568 0.376 19235 568 1 1 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.685 -0.403 19235 569 1 1 . 1 1 104 104 TRP C C 104 179.325 179.325 176.295 3.030 19235 570 1 1 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.561 1.755 19235 571 1 1 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.683 -2.959 19235 572 1 1 . 1 1 104 104 TRP H H 104 8.669 8.669 8.607 0.062 19235 573 1 1 . 1 1 105 105 HIS N N 105 121.315 121.315 123.783 -2.468 19235 574 1 1 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.282 0.184 19235 575 1 1 . 1 1 105 105 HIS C C 105 176.866 176.866 175.196 1.670 19235 576 1 1 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.552 0.874 19235 577 1 1 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.763 0.255 19235 578 1 1 . 1 1 105 105 HIS H H 105 8.919 8.919 8.888 0.031 19235 579 1 1 . 1 1 106 106 GLU N N 106 112.392 112.392 115.184 -2.792 19235 580 1 1 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.484 0.045 19235 581 1 1 . 1 1 106 106 GLU C C 106 175.482 175.482 175.589 -0.107 19235 582 1 1 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.343 -0.997 19235 583 1 1 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.492 0.824 19235 584 1 1 . 1 1 106 106 GLU H H 106 7.800 7.800 7.915 -0.115 19235 585 1 1 . 1 1 107 107 THR N N 107 117.872 117.872 114.028 3.844 19235 586 1 1 . 1 1 107 107 THR HA H 107 4.261 4.261 4.265 -0.004 19235 587 1 1 . 1 1 107 107 THR C C 107 175.517 175.517 174.807 0.710 19235 588 1 1 . 1 1 107 107 THR CA C 107 63.456 63.456 62.033 1.423 19235 589 1 1 . 1 1 107 107 THR CB C 107 68.072 68.072 67.742 0.330 19235 590 1 1 . 1 1 107 107 THR H H 107 8.668 8.668 8.446 0.222 19235 591 1 1 . 1 1 108 108 THR N N 108 116.177 116.177 117.807 -1.630 19235 592 1 1 . 1 1 108 108 THR HA H 108 4.720 4.720 4.504 0.216 19235 593 1 1 . 1 1 108 108 THR C C 108 176.376 176.376 175.445 0.931 19235 594 1 1 . 1 1 108 108 THR CA C 108 59.356 59.356 60.081 -0.725 19235 595 1 1 . 1 1 108 108 THR CB C 108 73.275 73.275 70.834 2.441 19235 596 1 1 . 1 1 108 108 THR H H 108 6.802 6.802 8.126 -1.324 19235 597 1 1 . 1 1 109 109 ASP C C 109 179.100 179.100 177.863 1.237 19235 598 1 1 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.390 1.070 19235 599 1 1 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.368 -0.200 19235 600 1 1 . 1 1 110 110 PHE N N 110 119.151 119.151 118.267 0.884 19235 601 1 1 . 1 1 110 110 PHE HA H 110 4.551 4.551 4.493 0.058 19235 602 1 1 . 1 1 110 110 PHE C C 110 179.054 179.054 177.907 1.147 19235 603 1 1 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.905 -0.194 19235 604 1 1 . 1 1 110 110 PHE CB C 110 38.427 38.427 39.335 -0.908 19235 605 1 1 . 1 1 110 110 PHE H H 110 8.463 8.463 7.754 0.709 19235 606 1 1 . 1 1 111 111 MET N N 111 122.801 122.801 119.894 2.907 19235 607 1 1 . 1 1 111 111 MET HA H 111 3.061 3.061 2.898 0.163 19235 608 1 1 . 1 1 111 111 MET C C 111 178.661 178.661 177.424 1.237 19235 609 1 1 . 1 1 111 111 MET CA C 111 59.888 59.888 58.867 1.021 19235 610 1 1 . 1 1 111 111 MET CB C 111 31.587 31.587 31.996 -0.409 19235 611 1 1 . 1 1 111 111 MET H H 111 8.261 8.261 7.544 0.717 19235 612 1 1 . 1 1 112 112 ALA N N 112 121.236 121.236 120.610 0.626 19235 613 1 1 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.926 -0.089 19235 614 1 1 . 1 1 112 112 ALA C C 112 179.201 179.201 179.548 -0.347 19235 615 1 1 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.841 -0.052 19235 616 1 1 . 1 1 112 112 ALA CB C 112 18.163 18.163 18.136 0.027 19235 617 1 1 . 1 1 112 112 ALA H H 112 7.744 7.744 7.802 -0.058 19235 618 1 1 . 1 1 113 113 HIS N N 113 116.411 116.411 118.063 -1.652 19235 619 1 1 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.210 0.123 19235 620 1 1 . 1 1 113 113 HIS C C 113 178.145 178.145 178.069 0.076 19235 621 1 1 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.831 1.370 19235 622 1 1 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.937 -0.096 19235 623 1 1 . 1 1 113 113 HIS H H 113 8.275 8.275 7.614 0.661 19235 624 1 1 . 1 1 114 114 CYS N N 114 114.740 114.740 117.257 -2.517 19235 625 1 1 . 1 1 114 114 CYS HA H 114 3.961 3.961 4.173 -0.212 19235 626 1 1 . 1 1 114 114 CYS C C 114 177.431 177.431 176.870 0.561 19235 627 1 1 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.598 -0.107 19235 628 1 1 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.945 -0.337 19235 629 1 1 . 1 1 114 114 CYS H H 114 8.456 8.456 8.715 -0.259 19235 630 1 1 . 1 1 115 115 ASN N N 115 120.985 120.985 119.841 1.144 19235 631 1 1 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.975 -0.266 19235 632 1 1 . 1 1 115 115 ASN C C 115 179.521 179.521 177.885 1.636 19235 633 1 1 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.558 1.528 19235 634 1 1 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.540 0.379 19235 635 1 1 . 1 1 115 115 ASN H H 115 8.983 8.983 8.545 0.438 19235 636 1 1 . 1 1 116 116 THR N N 116 119.651 119.651 116.747 2.904 19235 637 1 1 . 1 1 116 116 THR HA H 116 4.227 4.227 4.058 0.169 19235 638 1 1 . 1 1 116 116 THR C C 116 177.405 177.405 176.639 0.766 19235 639 1 1 . 1 1 116 116 THR CA C 116 67.150 67.150 66.667 0.483 19235 640 1 1 . 1 1 116 116 THR CB C 116 68.365 68.365 68.853 -0.488 19235 641 1 1 . 1 1 116 116 THR H H 116 8.704 8.704 8.072 0.632 19235 642 1 1 . 1 1 117 117 LYS N N 117 121.343 121.343 122.086 -0.743 19235 643 1 1 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.857 0.423 19235 644 1 1 . 1 1 117 117 LYS C C 117 180.250 180.250 178.909 1.341 19235 645 1 1 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.680 -2.578 19235 646 1 1 . 1 1 117 117 LYS CB C 117 30.486 30.486 32.175 -1.688 19235 647 1 1 . 1 1 117 117 LYS H H 117 9.148 9.148 7.593 1.555 19235 648 1 1 . 1 1 118 118 TRP N N 118 117.603 117.603 119.685 -2.082 19235 649 1 1 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.417 0.463 19235 650 1 1 . 1 1 118 118 TRP C C 118 180.118 180.118 178.322 1.796 19235 651 1 1 . 1 1 118 118 TRP CA C 118 59.768 59.768 60.062 -0.293 19235 652 1 1 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.200 1.316 19235 653 1 1 . 1 1 118 118 TRP H H 118 9.212 9.212 8.497 0.715 19235 654 1 1 . 1 1 119 119 ALA N N 119 117.358 117.358 120.720 -3.362 19235 655 1 1 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.972 -0.549 19235 656 1 1 . 1 1 119 119 ALA C C 119 179.726 179.726 179.188 0.538 19235 657 1 1 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.645 0.880 19235 658 1 1 . 1 1 119 119 ALA CB C 119 18.390 18.390 18.128 0.262 19235 659 1 1 . 1 1 119 119 ALA H H 119 7.132 7.132 7.457 -0.325 19235 660 1 1 . 1 1 120 120 VAL N N 120 112.004 112.004 119.260 -7.256 19235 661 1 1 . 1 1 120 120 VAL H H 120 7.188 7.188 7.481 -0.293 19235 662 1 1 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.189 0.876 19235 663 1 1 . 1 1 121 121 PHE C C 121 178.810 178.810 178.347 0.463 19235 664 1 1 . 1 1 121 121 PHE CA C 121 61.666 61.666 62.362 -0.696 19235 665 1 1 . 1 1 121 121 PHE CB C 121 37.803 37.803 38.504 -0.701 19235 666 1 1 . 1 1 122 122 LEU N N 122 121.854 121.854 120.573 1.281 19235 667 1 1 . 1 1 122 122 LEU HA H 122 4.001 4.001 4.175 -0.174 19235 668 1 1 . 1 1 122 122 LEU C C 122 180.149 180.149 178.943 1.206 19235 669 1 1 . 1 1 122 122 LEU CA C 122 57.579 57.579 58.120 -0.541 19235 670 1 1 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.808 -2.134 19235 671 1 1 . 1 1 122 122 LEU H H 122 8.598 8.598 8.189 0.409 19235 672 1 1 . 1 1 123 123 LEU N N 123 120.284 120.284 120.247 0.037 19235 673 1 1 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.962 0.048 19235 674 1 1 . 1 1 123 123 LEU C C 123 179.701 179.701 178.382 1.319 19235 675 1 1 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.170 -0.279 19235 676 1 1 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.490 -1.257 19235 677 1 1 . 1 1 123 123 LEU H H 123 8.154 8.154 8.448 -0.294 19235 678 1 1 . 1 1 124 124 SER N N 124 113.478 113.478 115.219 -1.741 19235 679 1 1 . 1 1 124 124 SER HA H 124 4.586 4.586 4.131 0.455 19235 680 1 1 . 1 1 124 124 SER C C 124 177.749 177.749 176.762 0.987 19235 681 1 1 . 1 1 124 124 SER CA C 124 60.660 60.660 61.783 -1.123 19235 682 1 1 . 1 1 124 124 SER CB C 124 62.601 62.601 63.115 -0.514 19235 683 1 1 . 1 1 124 124 SER H H 124 7.537 7.537 8.050 -0.513 19235 684 1 1 . 1 1 125 125 LEU N N 125 120.955 120.955 122.827 -1.872 19235 685 1 1 . 1 1 125 125 LEU HA H 125 3.666 3.666 4.209 -0.543 19235 686 1 1 . 1 1 125 125 LEU C C 125 177.940 177.940 178.006 -0.066 19235 687 1 1 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.876 0.646 19235 688 1 1 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.841 -2.118 19235 689 1 1 . 1 1 125 125 LEU H H 125 8.021 8.021 8.376 -0.355 19235 690 1 1 . 1 1 126 126 LYS N N 126 118.428 118.428 119.609 -1.181 19235 691 1 1 . 1 1 126 126 LYS HA H 126 4.571 4.571 4.014 0.557 19235 692 1 1 . 1 1 126 126 LYS C C 126 178.885 178.885 178.386 0.499 19235 693 1 1 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.964 0.202 19235 694 1 1 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.355 0.741 19235 695 1 1 . 1 1 126 126 LYS H H 126 7.899 7.899 8.035 -0.136 19235 696 1 1 . 1 1 127 127 ASP N N 127 119.536 119.536 119.572 -0.036 19235 697 1 1 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.497 0.036 19235 698 1 1 . 1 1 127 127 ASP C C 127 180.864 180.864 178.607 2.257 19235 699 1 1 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.209 0.537 19235 700 1 1 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.422 -0.586 19235 701 1 1 . 1 1 127 127 ASP H H 127 8.620 8.620 8.145 0.475 19235 702 1 1 . 1 1 128 128 ALA N N 128 123.280 123.280 122.463 0.817 19235 703 1 1 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.332 -0.605 19235 704 1 1 . 1 1 128 128 ALA C C 128 181.336 181.336 179.893 1.443 19235 705 1 1 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.179 0.341 19235 706 1 1 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.634 -1.486 19235 707 1 1 . 1 1 128 128 ALA H H 128 9.439 9.439 8.148 1.291 19235 708 1 1 . 1 1 129 129 LEU N N 129 115.298 115.298 117.578 -2.280 19235 709 1 1 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.044 0.161 19235 710 1 1 . 1 1 129 129 LEU C C 129 179.484 179.484 178.752 0.732 19235 711 1 1 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.490 -1.838 19235 712 1 1 . 1 1 129 129 LEU CB C 129 41.519 41.519 42.066 -0.547 19235 713 1 1 . 1 1 129 129 LEU H H 129 7.664 7.664 7.536 0.128 19235 714 1 1 . 1 1 130 130 GLU N N 130 117.821 117.821 117.267 0.554 19235 715 1 1 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.185 0.113 19235 716 1 1 . 1 1 130 130 GLU C C 130 179.567 179.567 178.187 1.380 19235 717 1 1 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.545 0.339 19235 718 1 1 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.431 0.370 19235 719 1 1 . 1 1 130 130 GLU H H 130 8.605 8.605 7.994 0.611 19235 720 1 1 . 1 1 131 131 ILE N N 131 112.140 112.140 116.108 -3.968 19235 721 1 1 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.277 0.437 19235 722 1 1 . 1 1 131 131 ILE C C 131 178.233 178.233 177.230 1.003 19235 723 1 1 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.550 -0.557 19235 724 1 1 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.787 -0.211 19235 725 1 1 . 1 1 131 131 ILE H H 131 8.552 8.552 7.967 0.585 19235 726 1 1 . 1 1 132 132 GLY N N 132 108.998 108.998 107.604 1.394 19235 727 1 1 . 1 1 132 132 GLY C C 132 174.957 174.957 174.902 0.055 19235 728 1 1 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.069 1.010 19235 729 1 1 . 1 1 132 132 GLY H H 132 7.269 7.269 8.333 -1.064 19235 730 1 1 . 1 1 133 133 LYS N N 133 120.920 120.920 119.926 0.994 19235 731 1 1 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.126 0.526 19235 732 1 1 . 1 1 133 133 LYS C C 133 175.857 175.857 177.885 -2.028 19235 733 1 1 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.464 -1.703 19235 734 1 1 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.743 1.222 19235 735 1 1 . 1 1 133 133 LYS H H 133 7.024 7.024 7.789 -0.765 19235 736 1 2 . 1 1 2 2 VAL N N 2 117.791 117.791 122.543 -4.752 19235 737 1 2 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.486 -0.040 19235 738 1 2 . 1 1 2 2 VAL C C 2 174.276 174.276 174.331 -0.055 19235 739 1 2 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.900 -1.198 19235 740 1 2 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.143 2.020 19235 741 1 2 . 1 1 2 2 VAL H H 2 8.851 8.851 8.726 0.125 19235 742 1 2 . 1 1 3 3 ASN N N 3 117.814 117.814 122.387 -4.573 19235 743 1 2 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.595 -0.144 19235 744 1 2 . 1 1 3 3 ASN C C 3 175.197 175.197 174.297 0.900 19235 745 1 2 . 1 1 3 3 ASN CA C 3 51.458 51.458 52.097 -0.639 19235 746 1 2 . 1 1 3 3 ASN CB C 3 41.180 41.180 42.027 -0.847 19235 747 1 2 . 1 1 3 3 ASN H H 3 8.262 8.262 8.556 -0.294 19235 748 1 2 . 1 1 4 4 ILE N N 4 121.231 121.231 121.075 0.156 19235 749 1 2 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.391 -0.429 19235 750 1 2 . 1 1 4 4 ILE C C 4 175.278 175.278 174.620 0.658 19235 751 1 2 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.721 0.290 19235 752 1 2 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.834 -0.497 19235 753 1 2 . 1 1 4 4 ILE H H 4 8.533 8.533 9.139 -0.606 19235 754 1 2 . 1 1 5 5 ASN N N 5 125.228 125.228 126.995 -1.767 19235 755 1 2 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.146 0.420 19235 756 1 2 . 1 1 5 5 ASN C C 5 174.061 174.061 173.872 0.189 19235 757 1 2 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.605 0.055 19235 758 1 2 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.897 1.764 19235 759 1 2 . 1 1 5 5 ASN H H 5 8.109 8.109 8.809 -0.700 19235 760 1 2 . 1 1 6 6 HIS N N 6 120.724 120.724 125.978 -5.254 19235 761 1 2 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.978 0.307 19235 762 1 2 . 1 1 6 6 HIS C C 6 177.102 177.102 172.709 4.393 19235 763 1 2 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.673 -0.047 19235 764 1 2 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.338 5.226 19235 765 1 2 . 1 1 6 6 HIS H H 6 9.450 9.450 9.134 0.316 19235 766 1 2 . 1 1 7 7 ARG N N 7 124.674 124.674 123.742 0.932 19235 767 1 2 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.493 -0.654 19235 768 1 2 . 1 1 7 7 ARG C C 7 174.633 174.633 173.840 0.793 19235 769 1 2 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.285 2.315 19235 770 1 2 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.889 -0.307 19235 771 1 2 . 1 1 7 7 ARG H H 7 8.973 8.973 7.647 1.326 19235 772 1 2 . 1 1 8 8 ILE N N 8 120.886 120.886 121.710 -0.824 19235 773 1 2 . 1 1 8 8 ILE H H 8 8.405 8.405 8.879 -0.474 19235 774 1 2 . 1 1 10 10 ILE N N 10 120.117 120.117 123.487 -3.370 19235 775 1 2 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.411 -0.728 19235 776 1 2 . 1 1 10 10 ILE C C 10 177.081 177.081 175.168 1.913 19235 777 1 2 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.336 -0.533 19235 778 1 2 . 1 1 10 10 ILE CB C 10 40.775 40.775 42.199 -1.424 19235 779 1 2 . 1 1 10 10 ILE H H 10 8.604 8.604 8.791 -0.187 19235 780 1 2 . 1 1 11 11 LYS N N 11 133.535 133.535 127.025 6.510 19235 781 1 2 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.302 0.189 19235 782 1 2 . 1 1 11 11 LYS C C 11 174.943 174.943 174.945 -0.002 19235 783 1 2 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.340 -1.236 19235 784 1 2 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.581 -1.500 19235 785 1 2 . 1 1 11 11 LYS H H 11 10.550 10.550 8.928 1.622 19235 786 1 2 . 1 1 12 12 ALA N N 12 123.135 123.135 122.844 0.291 19235 787 1 2 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.645 -0.124 19235 788 1 2 . 1 1 12 12 ALA C C 12 176.178 176.178 175.132 1.046 19235 789 1 2 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.404 -0.640 19235 790 1 2 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.174 -0.147 19235 791 1 2 . 1 1 12 12 ALA H H 12 7.933 7.933 8.135 -0.202 19235 792 1 2 . 1 1 13 13 SER N N 13 116.710 116.710 114.532 2.178 19235 793 1 2 . 1 1 13 13 SER HA H 13 4.588 4.588 4.783 -0.195 19235 794 1 2 . 1 1 13 13 SER C C 13 174.197 174.197 174.415 -0.218 19235 795 1 2 . 1 1 13 13 SER CA C 13 56.147 56.147 55.921 0.226 19235 796 1 2 . 1 1 13 13 SER CB C 13 62.656 62.656 63.340 -0.685 19235 797 1 2 . 1 1 13 13 SER H H 13 8.492 8.492 8.492 0.000 19235 798 1 2 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.306 -0.254 19235 799 1 2 . 1 1 14 14 PRO C C 14 178.833 178.833 178.392 0.441 19235 800 1 2 . 1 1 14 14 PRO CA C 14 65.547 65.547 64.986 0.561 19235 801 1 2 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.888 -0.579 19235 802 1 2 . 1 1 15 15 GLU N N 15 116.821 116.821 119.944 -3.123 19235 803 1 2 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.458 -0.190 19235 804 1 2 . 1 1 15 15 GLU C C 15 180.574 180.574 178.925 1.649 19235 805 1 2 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.577 0.089 19235 806 1 2 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.031 -0.427 19235 807 1 2 . 1 1 15 15 GLU H H 15 8.821 8.821 8.526 0.295 19235 808 1 2 . 1 1 16 16 LYS N N 16 120.446 120.446 119.973 0.473 19235 809 1 2 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.141 -0.110 19235 810 1 2 . 1 1 16 16 LYS C C 16 181.277 181.277 179.288 1.989 19235 811 1 2 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.522 -0.790 19235 812 1 2 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.614 -0.697 19235 813 1 2 . 1 1 16 16 LYS H H 16 7.634 7.634 7.950 -0.316 19235 814 1 2 . 1 1 17 17 ILE N N 17 120.100 120.100 119.896 0.204 19235 815 1 2 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.674 -0.244 19235 816 1 2 . 1 1 17 17 ILE C C 17 177.873 177.873 177.794 0.079 19235 817 1 2 . 1 1 17 17 ILE CA C 17 65.049 65.049 64.970 0.079 19235 818 1 2 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.031 -0.462 19235 819 1 2 . 1 1 17 17 ILE H H 17 7.797 7.797 7.899 -0.102 19235 820 1 2 . 1 1 18 18 TYR N N 18 119.139 119.139 119.827 -0.688 19235 821 1 2 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.989 -0.226 19235 822 1 2 . 1 1 18 18 TYR C C 18 181.847 181.847 178.471 3.376 19235 823 1 2 . 1 1 18 18 TYR CA C 18 62.676 62.676 61.981 0.695 19235 824 1 2 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.438 0.768 19235 825 1 2 . 1 1 18 18 TYR H H 18 9.072 9.072 8.048 1.024 19235 826 1 2 . 1 1 19 19 GLN N N 19 120.579 120.579 118.928 1.651 19235 827 1 2 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.908 -0.033 19235 828 1 2 . 1 1 19 19 GLN C C 19 178.871 178.871 178.060 0.811 19235 829 1 2 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.604 1.003 19235 830 1 2 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.921 -0.739 19235 831 1 2 . 1 1 19 19 GLN H H 19 8.330 8.330 8.292 0.038 19235 832 1 2 . 1 1 20 20 ALA N N 20 121.903 121.903 120.331 1.572 19235 833 1 2 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.215 -0.089 19235 834 1 2 . 1 1 20 20 ALA C C 20 177.058 177.058 178.437 -1.379 19235 835 1 2 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.840 -0.770 19235 836 1 2 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.765 -0.827 19235 837 1 2 . 1 1 20 20 ALA H H 20 7.451 7.451 7.841 -0.390 19235 838 1 2 . 1 1 21 21 LEU N N 21 112.471 112.471 113.494 -1.023 19235 839 1 2 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.362 -0.541 19235 840 1 2 . 1 1 21 21 LEU C C 21 178.910 178.910 177.256 1.654 19235 841 1 2 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.588 -1.086 19235 842 1 2 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.233 1.978 19235 843 1 2 . 1 1 21 21 LEU H H 21 7.061 7.061 7.444 -0.383 19235 844 1 2 . 1 1 22 22 THR N N 22 100.722 100.722 106.411 -5.689 19235 845 1 2 . 1 1 22 22 THR HA H 22 4.558 4.558 4.401 0.157 19235 846 1 2 . 1 1 22 22 THR C C 22 175.792 175.792 174.721 1.071 19235 847 1 2 . 1 1 22 22 THR CA C 22 61.081 61.081 61.281 -0.200 19235 848 1 2 . 1 1 22 22 THR CB C 22 71.747 71.747 70.081 1.666 19235 849 1 2 . 1 1 22 22 THR H H 22 7.069 7.069 7.395 -0.326 19235 850 1 2 . 1 1 23 23 THR N N 23 109.777 109.777 118.778 -9.001 19235 851 1 2 . 1 1 23 23 THR HA H 23 4.893 4.893 4.521 0.372 19235 852 1 2 . 1 1 23 23 THR C C 23 174.449 174.449 173.835 0.614 19235 853 1 2 . 1 1 23 23 THR CA C 23 58.343 58.343 61.041 -2.698 19235 854 1 2 . 1 1 23 23 THR CB C 23 72.836 72.836 71.748 1.088 19235 855 1 2 . 1 1 23 23 THR H H 23 7.308 7.308 7.683 -0.375 19235 856 1 2 . 1 1 24 24 ASP N N 24 126.109 126.109 126.112 -0.003 19235 857 1 2 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.176 0.060 19235 858 1 2 . 1 1 24 24 ASP C C 24 179.062 179.062 177.572 1.490 19235 859 1 2 . 1 1 24 24 ASP CA C 24 58.272 58.272 58.044 0.228 19235 860 1 2 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.177 -0.395 19235 861 1 2 . 1 1 24 24 ASP H H 24 9.248 9.248 8.893 0.355 19235 862 1 2 . 1 1 25 25 ASP N N 25 114.688 114.688 117.711 -3.023 19235 863 1 2 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.410 -0.140 19235 864 1 2 . 1 1 25 25 ASP C C 25 179.453 179.453 178.432 1.021 19235 865 1 2 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.978 0.127 19235 866 1 2 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.016 0.388 19235 867 1 2 . 1 1 25 25 ASP H H 25 8.640 8.640 8.613 0.027 19235 868 1 2 . 1 1 26 26 GLY N N 26 108.020 108.020 107.458 0.562 19235 869 1 2 . 1 1 26 26 GLY C C 26 176.629 176.629 176.250 0.379 19235 870 1 2 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.334 1.078 19235 871 1 2 . 1 1 26 26 GLY H H 26 7.756 7.756 8.133 -0.377 19235 872 1 2 . 1 1 27 27 LEU N N 27 124.486 124.486 123.069 1.417 19235 873 1 2 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.660 0.888 19235 874 1 2 . 1 1 27 27 LEU C C 27 180.999 180.999 179.207 1.792 19235 875 1 2 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.254 0.901 19235 876 1 2 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.559 2.749 19235 877 1 2 . 1 1 27 27 LEU H H 27 8.401 8.401 8.187 0.214 19235 878 1 2 . 1 1 28 28 LYS N N 28 118.482 118.482 117.480 1.002 19235 879 1 2 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.214 0.051 19235 880 1 2 . 1 1 28 28 LYS C C 28 179.269 179.269 177.906 1.363 19235 881 1 2 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.711 -1.764 19235 882 1 2 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.155 1.490 19235 883 1 2 . 1 1 28 28 LYS H H 28 7.864 7.864 7.900 -0.036 19235 884 1 2 . 1 1 29 29 LYS N N 29 113.309 113.309 116.206 -2.897 19235 885 1 2 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.203 -0.008 19235 886 1 2 . 1 1 29 29 LYS C C 29 178.869 178.869 177.238 1.631 19235 887 1 2 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.524 -0.698 19235 888 1 2 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.140 -0.291 19235 889 1 2 . 1 1 29 29 LYS H H 29 7.666 7.666 7.674 -0.008 19235 890 1 2 . 1 1 30 30 TRP N N 30 108.469 108.469 113.832 -5.363 19235 891 1 2 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.992 0.268 19235 892 1 2 . 1 1 30 30 TRP C C 30 176.975 176.975 175.155 1.820 19235 893 1 2 . 1 1 30 30 TRP CA C 30 55.592 55.592 55.907 -0.315 19235 894 1 2 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.115 2.333 19235 895 1 2 . 1 1 30 30 TRP H H 30 7.427 7.427 7.735 -0.308 19235 896 1 2 . 1 1 31 31 TRP N N 31 124.489 124.489 121.201 3.288 19235 897 1 2 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.273 0.958 19235 898 1 2 . 1 1 31 31 TRP C C 31 175.907 175.907 175.684 0.223 19235 899 1 2 . 1 1 31 31 TRP CA C 31 56.687 56.687 58.453 -1.766 19235 900 1 2 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.455 -1.467 19235 901 1 2 . 1 1 31 31 TRP H H 31 7.525 7.525 7.667 -0.142 19235 902 1 2 . 1 1 32 32 THR N N 32 107.670 107.670 109.200 -1.530 19235 903 1 2 . 1 1 32 32 THR HA H 32 5.064 5.064 4.662 0.402 19235 904 1 2 . 1 1 32 32 THR C C 32 171.071 171.071 174.488 -3.417 19235 905 1 2 . 1 1 32 32 THR CA C 32 57.486 57.486 60.703 -3.217 19235 906 1 2 . 1 1 32 32 THR CB C 32 67.302 67.302 72.165 -4.863 19235 907 1 2 . 1 1 32 32 THR H H 32 6.582 6.582 8.081 -1.499 19235 908 1 2 . 1 1 33 33 ASN N N 33 118.705 118.705 116.318 2.387 19235 909 1 2 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.792 -0.077 19235 910 1 2 . 1 1 33 33 ASN C C 33 176.424 176.424 174.370 2.054 19235 911 1 2 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.976 0.211 19235 912 1 2 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.758 -0.880 19235 913 1 2 . 1 1 33 33 ASN H H 33 8.281 8.281 8.701 -0.420 19235 914 1 2 . 1 1 34 34 ASP N N 34 121.174 121.174 119.632 1.542 19235 915 1 2 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.748 -0.018 19235 916 1 2 . 1 1 34 34 ASP C C 34 174.163 174.163 173.671 0.492 19235 917 1 2 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.518 -0.819 19235 918 1 2 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.707 -1.267 19235 919 1 2 . 1 1 34 34 ASP H H 34 6.751 6.751 7.671 -0.920 19235 920 1 2 . 1 1 35 35 ILE N N 35 120.932 120.932 122.925 -1.993 19235 921 1 2 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.698 -0.135 19235 922 1 2 . 1 1 35 35 ILE C C 35 175.512 175.512 174.788 0.724 19235 923 1 2 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.589 0.840 19235 924 1 2 . 1 1 35 35 ILE CB C 35 42.109 42.109 40.965 1.144 19235 925 1 2 . 1 1 35 35 ILE H H 35 6.805 6.805 8.160 -1.355 19235 926 1 2 . 1 1 36 36 SER N N 36 117.993 117.993 121.016 -3.023 19235 927 1 2 . 1 1 36 36 SER HA H 36 4.600 4.600 4.827 -0.227 19235 928 1 2 . 1 1 36 36 SER C C 36 174.509 174.509 173.473 1.036 19235 929 1 2 . 1 1 36 36 SER CA C 36 56.936 56.936 56.466 0.470 19235 930 1 2 . 1 1 36 36 SER CB C 36 65.556 65.556 64.559 0.997 19235 931 1 2 . 1 1 36 36 SER H H 36 7.508 7.508 8.462 -0.954 19235 932 1 2 . 1 1 37 37 GLY N N 37 112.153 112.153 114.276 -2.123 19235 933 1 2 . 1 1 37 37 GLY C C 37 175.786 175.786 172.395 3.391 19235 934 1 2 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.487 -0.619 19235 935 1 2 . 1 1 37 37 GLY H H 37 8.914 8.914 8.911 0.003 19235 936 1 2 . 1 1 38 38 ALA N N 38 125.303 125.303 123.076 2.227 19235 937 1 2 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.926 -0.277 19235 938 1 2 . 1 1 38 38 ALA C C 38 179.569 179.569 176.272 3.297 19235 939 1 2 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.462 1.837 19235 940 1 2 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.155 0.111 19235 941 1 2 . 1 1 38 38 ALA H H 38 10.037 10.037 8.254 1.783 19235 942 1 2 . 1 1 39 39 GLY N N 39 110.076 110.076 106.855 3.221 19235 943 1 2 . 1 1 39 39 GLY C C 39 175.023 175.023 174.438 0.585 19235 944 1 2 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.888 2.042 19235 945 1 2 . 1 1 39 39 GLY H H 39 6.982 6.982 7.772 -0.790 19235 946 1 2 . 1 1 40 40 VAL N N 40 114.196 114.196 117.492 -3.296 19235 947 1 2 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.305 -0.021 19235 948 1 2 . 1 1 40 40 VAL C C 40 177.795 177.795 176.360 1.435 19235 949 1 2 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.521 -0.388 19235 950 1 2 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.178 -0.300 19235 951 1 2 . 1 1 40 40 VAL H H 40 7.857 7.857 7.820 0.037 19235 952 1 2 . 1 1 41 41 VAL N N 41 120.950 120.950 121.387 -0.437 19235 953 1 2 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.559 0.009 19235 954 1 2 . 1 1 41 41 VAL C C 41 177.788 177.788 176.811 0.977 19235 955 1 2 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.687 1.509 19235 956 1 2 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.201 -0.013 19235 957 1 2 . 1 1 41 41 VAL H H 41 8.469 8.469 8.454 0.015 19235 958 1 2 . 1 1 42 42 GLY N N 42 116.155 116.155 115.596 0.559 19235 959 1 2 . 1 1 42 42 GLY C C 42 176.032 176.032 174.127 1.905 19235 960 1 2 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.631 -0.239 19235 961 1 2 . 1 1 42 42 GLY H H 42 9.266 9.266 8.906 0.360 19235 962 1 2 . 1 1 43 43 SER N N 43 118.352 118.352 117.348 1.004 19235 963 1 2 . 1 1 43 43 SER HA H 43 4.385 4.385 4.422 -0.037 19235 964 1 2 . 1 1 43 43 SER C C 43 173.302 173.302 173.914 -0.612 19235 965 1 2 . 1 1 43 43 SER CA C 43 59.910 59.910 58.500 1.410 19235 966 1 2 . 1 1 43 43 SER CB C 43 63.931 63.931 64.407 -0.476 19235 967 1 2 . 1 1 43 43 SER H H 43 8.408 8.408 8.227 0.181 19235 968 1 2 . 1 1 44 44 THR N N 44 118.418 118.418 121.588 -3.170 19235 969 1 2 . 1 1 44 44 THR HA H 44 4.815 4.815 4.651 0.164 19235 970 1 2 . 1 1 44 44 THR C C 44 173.450 173.450 173.875 -0.425 19235 971 1 2 . 1 1 44 44 THR CA C 44 62.444 62.444 61.373 1.071 19235 972 1 2 . 1 1 44 44 THR CB C 44 69.663 69.663 70.633 -0.970 19235 973 1 2 . 1 1 44 44 THR H H 44 8.386 8.386 8.105 0.281 19235 974 1 2 . 1 1 45 45 ILE N N 45 127.861 127.861 127.688 0.173 19235 975 1 2 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.137 -0.299 19235 976 1 2 . 1 1 45 45 ILE C C 45 176.164 176.164 174.209 1.955 19235 977 1 2 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.420 0.003 19235 978 1 2 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.571 -1.038 19235 979 1 2 . 1 1 45 45 ILE H H 45 9.423 9.423 8.867 0.556 19235 980 1 2 . 1 1 46 46 LYS N N 46 125.403 125.403 127.564 -2.161 19235 981 1 2 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.029 -0.506 19235 982 1 2 . 1 1 46 46 LYS C C 46 176.574 176.574 174.998 1.576 19235 983 1 2 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.394 1.232 19235 984 1 2 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.341 -3.392 19235 985 1 2 . 1 1 46 46 LYS H H 46 8.388 8.388 8.474 -0.086 19235 986 1 2 . 1 1 47 47 PHE N N 47 124.081 124.081 124.670 -0.589 19235 987 1 2 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.696 -0.295 19235 988 1 2 . 1 1 47 47 PHE C C 47 177.107 177.107 174.940 2.167 19235 989 1 2 . 1 1 47 47 PHE CA C 47 57.154 57.154 57.031 0.123 19235 990 1 2 . 1 1 47 47 PHE CB C 47 39.637 39.637 42.113 -2.476 19235 991 1 2 . 1 1 47 47 PHE H H 47 8.026 8.026 8.714 -0.688 19235 992 1 2 . 1 1 48 48 ARG N N 48 121.376 121.376 121.404 -0.028 19235 993 1 2 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.382 0.178 19235 994 1 2 . 1 1 48 48 ARG C C 48 175.042 175.042 175.125 -0.083 19235 995 1 2 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.808 -4.226 19235 996 1 2 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.087 1.472 19235 997 1 2 . 1 1 48 48 ARG H H 48 8.521 8.521 8.523 -0.002 19235 998 1 2 . 1 1 49 49 PHE N N 49 121.884 121.884 124.879 -2.995 19235 999 1 2 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.760 -0.961 19235 1000 1 2 . 1 1 49 49 PHE C C 49 175.580 175.580 174.282 1.298 19235 1001 1 2 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.852 -1.546 19235 1002 1 2 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.829 -4.719 19235 1003 1 2 . 1 1 49 49 PHE H H 49 8.649 8.649 8.350 0.299 19235 1004 1 2 . 1 1 50 50 ASN N N 50 121.994 121.994 121.617 0.377 19235 1005 1 2 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.437 -0.025 19235 1006 1 2 . 1 1 50 50 ASN C C 50 177.277 177.277 175.553 1.724 19235 1007 1 2 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.678 -0.361 19235 1008 1 2 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.188 -1.064 19235 1009 1 2 . 1 1 50 50 ASN H H 50 9.296 9.296 7.778 1.518 19235 1010 1 2 . 1 1 51 51 GLY N N 51 103.211 103.211 108.046 -4.835 19235 1011 1 2 . 1 1 51 51 GLY C C 51 175.077 175.077 174.821 0.256 19235 1012 1 2 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.119 0.509 19235 1013 1 2 . 1 1 51 51 GLY H H 51 8.532 8.532 7.637 0.895 19235 1014 1 2 . 1 1 52 52 GLY N N 52 106.323 106.323 109.389 -3.066 19235 1015 1 2 . 1 1 52 52 GLY C C 52 173.770 173.770 174.828 -1.058 19235 1016 1 2 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.580 -1.093 19235 1017 1 2 . 1 1 52 52 GLY H H 52 7.215 7.215 8.369 -1.154 19235 1018 1 2 . 1 1 53 53 GLY N N 53 109.867 109.867 109.863 0.004 19235 1019 1 2 . 1 1 53 53 GLY C C 53 169.984 169.984 173.544 -3.560 19235 1020 1 2 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.423 2.081 19235 1021 1 2 . 1 1 53 53 GLY H H 53 8.412 8.412 8.555 -0.143 19235 1022 1 2 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.296 1.067 19235 1023 1 2 . 1 1 54 54 PRO C C 54 175.960 175.960 175.336 0.624 19235 1024 1 2 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.330 0.305 19235 1025 1 2 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.795 0.545 19235 1026 1 2 . 1 1 55 55 ASP N N 55 118.374 118.374 120.682 -2.308 19235 1027 1 2 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.568 0.210 19235 1028 1 2 . 1 1 55 55 ASP C C 55 176.144 176.144 174.524 1.620 19235 1029 1 2 . 1 1 55 55 ASP CA C 55 51.576 51.576 52.695 -1.119 19235 1030 1 2 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.758 -3.287 19235 1031 1 2 . 1 1 55 55 ASP H H 55 6.732 6.732 7.982 -1.250 19235 1032 1 2 . 1 1 56 56 PHE N N 56 116.916 116.916 120.180 -3.264 19235 1033 1 2 . 1 1 56 56 PHE HA H 56 5.083 5.083 5.038 0.045 19235 1034 1 2 . 1 1 56 56 PHE C C 56 175.088 175.088 174.684 0.404 19235 1035 1 2 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.572 0.790 19235 1036 1 2 . 1 1 56 56 PHE CB C 56 43.296 43.296 42.587 0.709 19235 1037 1 2 . 1 1 56 56 PHE H H 56 9.140 9.140 8.971 0.169 19235 1038 1 2 . 1 1 57 57 LYS N N 57 123.219 123.219 124.654 -1.435 19235 1039 1 2 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.641 0.597 19235 1040 1 2 . 1 1 57 57 LYS C C 57 177.979 177.979 175.699 2.280 19235 1041 1 2 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.455 -1.145 19235 1042 1 2 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.490 -0.560 19235 1043 1 2 . 1 1 57 57 LYS H H 57 9.574 9.574 9.073 0.501 19235 1044 1 2 . 1 1 58 58 VAL N N 58 127.037 127.037 128.271 -1.234 19235 1045 1 2 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.597 0.070 19235 1046 1 2 . 1 1 58 58 VAL C C 58 178.738 178.738 176.347 2.391 19235 1047 1 2 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.895 0.861 19235 1048 1 2 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.649 0.084 19235 1049 1 2 . 1 1 58 58 VAL H H 58 9.196 9.196 8.817 0.379 19235 1050 1 2 . 1 1 59 59 THR N N 59 120.775 120.775 120.185 0.590 19235 1051 1 2 . 1 1 59 59 THR HA H 59 4.716 4.716 4.474 0.242 19235 1052 1 2 . 1 1 59 59 THR C C 59 177.001 177.001 174.642 2.359 19235 1053 1 2 . 1 1 59 59 THR CA C 59 62.615 62.615 62.069 0.546 19235 1054 1 2 . 1 1 59 59 THR CB C 59 69.528 69.528 69.767 -0.239 19235 1055 1 2 . 1 1 59 59 THR H H 59 9.470 9.470 9.204 0.266 19235 1056 1 2 . 1 1 60 60 LYS N N 60 123.315 123.315 121.670 1.645 19235 1057 1 2 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.560 -0.128 19235 1058 1 2 . 1 1 60 60 LYS C C 60 174.225 174.225 174.022 0.203 19235 1059 1 2 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.603 1.315 19235 1060 1 2 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.106 -0.775 19235 1061 1 2 . 1 1 60 60 LYS H H 60 7.819 7.819 7.649 0.170 19235 1062 1 2 . 1 1 61 61 LEU N N 61 125.573 125.573 127.225 -1.652 19235 1063 1 2 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.175 0.040 19235 1064 1 2 . 1 1 61 61 LEU C C 61 177.508 177.508 175.897 1.611 19235 1065 1 2 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.631 0.723 19235 1066 1 2 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.489 0.280 19235 1067 1 2 . 1 1 61 61 LEU H H 61 8.354 8.354 8.608 -0.254 19235 1068 1 2 . 1 1 62 62 ILE N N 62 124.326 124.326 124.639 -0.313 19235 1069 1 2 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.622 0.149 19235 1070 1 2 . 1 1 62 62 ILE C C 62 175.200 175.200 174.162 1.038 19235 1071 1 2 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.942 1.014 19235 1072 1 2 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.771 -1.484 19235 1073 1 2 . 1 1 62 62 ILE H H 62 9.340 9.340 9.047 0.293 19235 1074 1 2 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.884 -0.596 19235 1075 1 2 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.261 0.607 19235 1076 1 2 . 1 1 64 64 ASN N N 64 113.559 113.559 115.850 -2.291 19235 1077 1 2 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.929 -0.474 19235 1078 1 2 . 1 1 64 64 ASN C C 64 174.053 174.053 174.305 -0.252 19235 1079 1 2 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.372 1.000 19235 1080 1 2 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.605 0.265 19235 1081 1 2 . 1 1 64 64 ASN H H 64 4.547 4.547 7.042 -2.495 19235 1082 1 2 . 1 1 65 65 LYS N N 65 116.786 116.786 116.017 0.769 19235 1083 1 2 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.543 0.270 19235 1084 1 2 . 1 1 65 65 LYS C C 65 176.349 176.349 175.142 1.207 19235 1085 1 2 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.491 1.537 19235 1086 1 2 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.855 0.582 19235 1087 1 2 . 1 1 65 65 LYS H H 65 8.222 8.222 8.094 0.128 19235 1088 1 2 . 1 1 66 66 THR N N 66 114.184 114.184 116.756 -2.572 19235 1089 1 2 . 1 1 66 66 THR HA H 66 5.462 5.462 5.436 0.026 19235 1090 1 2 . 1 1 66 66 THR C C 66 173.770 173.770 172.857 0.913 19235 1091 1 2 . 1 1 66 66 THR CA C 66 62.725 62.725 61.641 1.084 19235 1092 1 2 . 1 1 66 66 THR CB C 66 73.439 73.439 72.176 1.263 19235 1093 1 2 . 1 1 66 66 THR H H 66 8.667 8.667 7.900 0.767 19235 1094 1 2 . 1 1 67 67 VAL N N 67 127.075 127.075 127.034 0.041 19235 1095 1 2 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.827 -0.121 19235 1096 1 2 . 1 1 67 67 VAL C C 67 176.093 176.093 174.110 1.983 19235 1097 1 2 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.666 1.292 19235 1098 1 2 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.352 0.825 19235 1099 1 2 . 1 1 67 67 VAL H H 67 8.777 8.777 8.819 -0.042 19235 1100 1 2 . 1 1 68 68 CYS N N 68 122.749 122.749 127.234 -4.485 19235 1101 1 2 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.343 0.140 19235 1102 1 2 . 1 1 68 68 CYS C C 68 174.607 174.607 173.520 1.087 19235 1103 1 2 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.759 0.378 19235 1104 1 2 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.900 0.774 19235 1105 1 2 . 1 1 68 68 CYS H H 68 8.987 8.987 8.792 0.195 19235 1106 1 2 . 1 1 69 69 TRP N N 69 123.217 123.217 127.946 -4.729 19235 1107 1 2 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.762 0.550 19235 1108 1 2 . 1 1 69 69 TRP C C 69 178.064 178.064 175.520 2.544 19235 1109 1 2 . 1 1 69 69 TRP CA C 69 52.798 52.798 53.950 -1.152 19235 1110 1 2 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.089 4.051 19235 1111 1 2 . 1 1 69 69 TRP H H 69 9.612 9.612 9.402 0.210 19235 1112 1 2 . 1 1 70 70 GLN N N 70 122.556 122.556 120.944 1.612 19235 1113 1 2 . 1 1 70 70 GLN HA H 70 5.284 5.284 5.028 0.256 19235 1114 1 2 . 1 1 70 70 GLN C C 70 176.295 176.295 174.883 1.412 19235 1115 1 2 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.286 0.600 19235 1116 1 2 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.925 0.352 19235 1117 1 2 . 1 1 70 70 GLN H H 70 10.132 10.132 9.210 0.922 19235 1118 1 2 . 1 1 71 71 HIS N N 71 128.443 128.443 127.656 0.787 19235 1119 1 2 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.377 -0.391 19235 1120 1 2 . 1 1 71 71 HIS C C 71 175.251 175.251 173.902 1.349 19235 1121 1 2 . 1 1 71 71 HIS CA C 71 60.992 60.992 58.064 2.928 19235 1122 1 2 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.110 0.116 19235 1123 1 2 . 1 1 71 71 HIS H H 71 8.947 8.947 8.789 0.158 19235 1124 1 2 . 1 1 72 72 ALA N N 72 131.788 131.788 127.228 4.560 19235 1125 1 2 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.597 0.110 19235 1126 1 2 . 1 1 72 72 ALA C C 72 176.274 176.274 174.569 1.705 19235 1127 1 2 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.401 -0.900 19235 1128 1 2 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.277 -0.905 19235 1129 1 2 . 1 1 72 72 ALA H H 72 7.954 7.954 7.917 0.037 19235 1130 1 2 . 1 1 73 73 GLY N N 73 107.065 107.065 108.081 -1.016 19235 1131 1 2 . 1 1 73 73 GLY C C 73 175.476 175.476 172.939 2.537 19235 1132 1 2 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.281 -0.374 19235 1133 1 2 . 1 1 73 73 GLY H H 73 8.037 8.037 7.972 0.065 19235 1134 1 2 . 1 1 74 74 ASN N N 74 117.053 117.053 118.711 -1.658 19235 1135 1 2 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.834 0.424 19235 1136 1 2 . 1 1 74 74 ASN C C 74 175.858 175.858 175.411 0.447 19235 1137 1 2 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.092 -0.464 19235 1138 1 2 . 1 1 74 74 ASN CB C 74 39.618 39.618 39.047 0.571 19235 1139 1 2 . 1 1 74 74 ASN H H 74 8.214 8.214 8.646 -0.432 19235 1140 1 2 . 1 1 75 75 MET N N 75 118.795 118.795 120.781 -1.986 19235 1141 1 2 . 1 1 75 75 MET HA H 75 4.972 4.972 4.470 0.502 19235 1142 1 2 . 1 1 75 75 MET C C 75 176.426 176.426 174.185 2.241 19235 1143 1 2 . 1 1 75 75 MET CA C 75 52.203 52.203 54.172 -1.969 19235 1144 1 2 . 1 1 75 75 MET CB C 75 35.318 35.318 32.422 2.896 19235 1145 1 2 . 1 1 75 75 MET H H 75 8.685 8.685 7.651 1.034 19235 1146 1 2 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.196 0.722 19235 1147 1 2 . 1 1 76 76 PRO C C 76 179.193 179.193 177.155 2.038 19235 1148 1 2 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.925 -0.029 19235 1149 1 2 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.868 1.001 19235 1150 1 2 . 1 1 77 77 GLU N N 77 124.888 124.888 122.577 2.311 19235 1151 1 2 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.899 -0.097 19235 1152 1 2 . 1 1 77 77 GLU C C 77 181.035 181.035 178.701 2.334 19235 1153 1 2 . 1 1 77 77 GLU CA C 77 60.350 60.350 59.901 0.449 19235 1154 1 2 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.402 -0.235 19235 1155 1 2 . 1 1 77 77 GLU H H 77 9.141 9.141 8.755 0.386 19235 1156 1 2 . 1 1 78 78 SER N N 78 111.049 111.049 112.888 -1.839 19235 1157 1 2 . 1 1 78 78 SER HA H 78 4.335 4.335 4.284 0.051 19235 1158 1 2 . 1 1 78 78 SER C C 78 174.864 174.864 175.375 -0.511 19235 1159 1 2 . 1 1 78 78 SER CA C 78 60.184 60.184 60.583 -0.399 19235 1160 1 2 . 1 1 78 78 SER CB C 78 63.543 63.543 62.804 0.739 19235 1161 1 2 . 1 1 78 78 SER H H 78 8.349 8.349 8.196 0.153 19235 1162 1 2 . 1 1 79 79 TRP N N 79 115.554 115.554 120.179 -4.625 19235 1163 1 2 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.713 -0.398 19235 1164 1 2 . 1 1 79 79 TRP C C 79 178.135 178.135 177.864 0.271 19235 1165 1 2 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.444 -1.780 19235 1166 1 2 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.627 -2.671 19235 1167 1 2 . 1 1 79 79 TRP H H 79 7.492 7.492 7.538 -0.046 19235 1168 1 2 . 1 1 80 80 MET N N 80 123.060 123.060 119.415 3.645 19235 1169 1 2 . 1 1 80 80 MET HA H 80 4.677 4.677 4.808 -0.131 19235 1170 1 2 . 1 1 80 80 MET C C 80 179.026 179.026 179.052 -0.026 19235 1171 1 2 . 1 1 80 80 MET CA C 80 58.410 58.410 58.968 -0.557 19235 1172 1 2 . 1 1 80 80 MET CB C 80 32.136 32.136 33.275 -1.139 19235 1173 1 2 . 1 1 80 80 MET H H 80 7.570 7.570 8.200 -0.630 19235 1174 1 2 . 1 1 81 81 GLY N N 81 112.489 112.489 107.997 4.492 19235 1175 1 2 . 1 1 81 81 GLY C C 81 176.316 176.316 173.823 2.493 19235 1176 1 2 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.730 1.126 19235 1177 1 2 . 1 1 81 81 GLY H H 81 9.025 9.025 8.010 1.015 19235 1178 1 2 . 1 1 82 82 THR N N 82 110.515 110.515 111.824 -1.309 19235 1179 1 2 . 1 1 82 82 THR HA H 82 4.925 4.925 4.522 0.403 19235 1180 1 2 . 1 1 82 82 THR C C 82 175.233 175.233 173.114 2.119 19235 1181 1 2 . 1 1 82 82 THR CA C 82 61.666 61.666 59.986 1.680 19235 1182 1 2 . 1 1 82 82 THR CB C 82 72.105 72.105 71.545 0.560 19235 1183 1 2 . 1 1 82 82 THR H H 82 8.201 8.201 7.776 0.425 19235 1184 1 2 . 1 1 83 83 GLU N N 83 117.578 117.578 120.789 -3.211 19235 1185 1 2 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.225 0.079 19235 1186 1 2 . 1 1 83 83 GLU C C 83 175.305 175.305 174.618 0.687 19235 1187 1 2 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.980 -0.151 19235 1188 1 2 . 1 1 83 83 GLU CB C 83 33.779 33.779 34.278 -0.499 19235 1189 1 2 . 1 1 83 83 GLU H H 83 8.098 8.098 8.446 -0.348 19235 1190 1 2 . 1 1 84 84 ILE N N 84 122.729 122.729 120.928 1.801 19235 1191 1 2 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.595 0.249 19235 1192 1 2 . 1 1 84 84 ILE C C 84 175.731 175.731 174.171 1.560 19235 1193 1 2 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.745 -0.612 19235 1194 1 2 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.545 -0.080 19235 1195 1 2 . 1 1 84 84 ILE H H 84 9.191 9.191 8.966 0.225 19235 1196 1 2 . 1 1 85 85 SER N N 85 119.684 119.684 120.189 -0.505 19235 1197 1 2 . 1 1 85 85 SER HA H 85 5.269 5.269 4.903 0.366 19235 1198 1 2 . 1 1 85 85 SER C C 85 173.140 173.140 173.016 0.124 19235 1199 1 2 . 1 1 85 85 SER CA C 85 55.616 55.616 55.859 -0.243 19235 1200 1 2 . 1 1 85 85 SER CB C 85 66.396 66.396 64.874 1.522 19235 1201 1 2 . 1 1 85 85 SER H H 85 8.264 8.264 8.443 -0.179 19235 1202 1 2 . 1 1 86 86 PHE N N 86 120.734 120.734 125.463 -4.729 19235 1203 1 2 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.113 -0.305 19235 1204 1 2 . 1 1 86 86 PHE C C 86 175.882 175.882 174.600 1.282 19235 1205 1 2 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.312 -0.167 19235 1206 1 2 . 1 1 86 86 PHE CB C 86 41.089 41.089 39.765 1.324 19235 1207 1 2 . 1 1 86 86 PHE H H 86 9.202 9.202 9.187 0.015 19235 1208 1 2 . 1 1 87 87 GLN N N 87 120.452 120.452 124.463 -4.011 19235 1209 1 2 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.120 0.301 19235 1210 1 2 . 1 1 87 87 GLN C C 87 176.561 176.561 174.724 1.837 19235 1211 1 2 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.115 -0.165 19235 1212 1 2 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.501 0.200 19235 1213 1 2 . 1 1 87 87 GLN H H 87 8.663 8.663 8.837 -0.174 19235 1214 1 2 . 1 1 88 88 LEU N N 88 126.610 126.610 129.275 -2.665 19235 1215 1 2 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.166 0.284 19235 1216 1 2 . 1 1 88 88 LEU C C 88 178.015 178.015 176.735 1.280 19235 1217 1 2 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.018 0.268 19235 1218 1 2 . 1 1 88 88 LEU CB C 88 41.965 41.965 42.993 -1.028 19235 1219 1 2 . 1 1 88 88 LEU H H 88 9.315 9.315 8.802 0.513 19235 1220 1 2 . 1 1 89 89 GLU N N 89 123.568 123.568 124.932 -1.364 19235 1221 1 2 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.699 0.093 19235 1222 1 2 . 1 1 89 89 GLU C C 89 176.006 176.006 175.475 0.531 19235 1223 1 2 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.447 1.011 19235 1224 1 2 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.938 -0.313 19235 1225 1 2 . 1 1 89 89 GLU H H 89 8.862 8.862 9.108 -0.246 19235 1226 1 2 . 1 1 90 90 THR N N 90 124.266 124.266 123.131 1.135 19235 1227 1 2 . 1 1 90 90 THR HA H 90 4.828 4.828 4.040 0.788 19235 1228 1 2 . 1 1 90 90 THR C C 90 175.572 175.572 174.056 1.516 19235 1229 1 2 . 1 1 90 90 THR CA C 90 63.397 63.397 63.900 -0.503 19235 1230 1 2 . 1 1 90 90 THR CB C 90 69.628 69.628 69.244 0.384 19235 1231 1 2 . 1 1 90 90 THR H H 90 9.120 9.120 8.587 0.533 19235 1232 1 2 . 1 1 91 91 VAL N N 91 125.506 125.506 126.049 -0.543 19235 1233 1 2 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.121 0.376 19235 1234 1 2 . 1 1 91 91 VAL C C 91 176.665 176.665 175.618 1.047 19235 1235 1 2 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.963 1.228 19235 1236 1 2 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.845 -0.343 19235 1237 1 2 . 1 1 91 91 VAL H H 91 8.729 8.729 8.170 0.559 19235 1238 1 2 . 1 1 92 92 GLU C C 92 177.778 177.778 176.851 0.927 19235 1239 1 2 . 1 1 93 93 ASN N N 93 115.899 115.899 115.021 0.878 19235 1240 1 2 . 1 1 93 93 ASN C C 93 174.644 174.644 175.200 -0.556 19235 1241 1 2 . 1 1 93 93 ASN H H 93 8.372 8.372 8.266 0.106 19235 1242 1 2 . 1 1 94 94 GLN N N 94 114.412 114.412 116.831 -2.419 19235 1243 1 2 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.536 0.082 19235 1244 1 2 . 1 1 94 94 GLN C C 94 173.810 173.810 173.970 -0.160 19235 1245 1 2 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.589 0.074 19235 1246 1 2 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.662 -2.883 19235 1247 1 2 . 1 1 94 94 GLN H H 94 7.505 7.505 7.644 -0.139 19235 1248 1 2 . 1 1 95 95 THR N N 95 117.223 117.223 116.606 0.617 19235 1249 1 2 . 1 1 95 95 THR HA H 95 4.889 4.889 4.846 0.043 19235 1250 1 2 . 1 1 95 95 THR C C 95 175.599 175.599 173.427 2.172 19235 1251 1 2 . 1 1 95 95 THR CA C 95 61.633 61.633 61.726 -0.093 19235 1252 1 2 . 1 1 95 95 THR CB C 95 70.071 70.071 70.839 -0.768 19235 1253 1 2 . 1 1 95 95 THR H H 95 8.975 8.975 8.615 0.360 19235 1254 1 2 . 1 1 96 96 PHE N N 96 125.360 125.360 125.727 -0.367 19235 1255 1 2 . 1 1 96 96 PHE HA H 96 4.732 4.732 5.014 -0.282 19235 1256 1 2 . 1 1 96 96 PHE C C 96 176.859 176.859 175.150 1.709 19235 1257 1 2 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.504 3.676 19235 1258 1 2 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.249 -0.155 19235 1259 1 2 . 1 1 96 96 PHE H H 96 9.499 9.499 9.284 0.215 19235 1260 1 2 . 1 1 97 97 VAL N N 97 122.027 122.027 124.248 -2.221 19235 1261 1 2 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.366 0.151 19235 1262 1 2 . 1 1 97 97 VAL C C 97 175.876 175.876 175.225 0.651 19235 1263 1 2 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.680 -0.317 19235 1264 1 2 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.785 -0.406 19235 1265 1 2 . 1 1 97 97 VAL H H 97 9.394 9.394 9.143 0.251 19235 1266 1 2 . 1 1 98 98 ARG N N 98 126.680 126.680 127.520 -0.840 19235 1267 1 2 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.859 -0.668 19235 1268 1 2 . 1 1 98 98 ARG C C 98 176.185 176.185 174.778 1.407 19235 1269 1 2 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.893 -0.092 19235 1270 1 2 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.329 -1.829 19235 1271 1 2 . 1 1 98 98 ARG H H 98 9.245 9.245 9.132 0.113 19235 1272 1 2 . 1 1 99 99 PHE N N 99 131.125 131.125 128.644 2.481 19235 1273 1 2 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.184 -0.312 19235 1274 1 2 . 1 1 99 99 PHE C C 99 174.793 174.793 173.987 0.806 19235 1275 1 2 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.998 -0.271 19235 1276 1 2 . 1 1 99 99 PHE CB C 99 42.571 42.571 41.576 0.995 19235 1277 1 2 . 1 1 99 99 PHE H H 99 8.723 8.723 9.221 -0.498 19235 1278 1 2 . 1 1 100 100 THR N N 100 124.512 124.512 126.657 -2.145 19235 1279 1 2 . 1 1 100 100 THR HA H 100 5.062 5.062 5.143 -0.081 19235 1280 1 2 . 1 1 100 100 THR C C 100 173.105 173.105 172.243 0.862 19235 1281 1 2 . 1 1 100 100 THR CA C 100 59.971 59.971 60.980 -1.009 19235 1282 1 2 . 1 1 100 100 THR CB C 100 71.127 71.127 70.557 0.570 19235 1283 1 2 . 1 1 100 100 THR H H 100 8.020 8.020 8.137 -0.117 19235 1284 1 2 . 1 1 101 101 HIS N N 101 127.719 127.719 127.323 0.396 19235 1285 1 2 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.423 -0.380 19235 1286 1 2 . 1 1 101 101 HIS C C 101 176.440 176.440 173.539 2.901 19235 1287 1 2 . 1 1 101 101 HIS CA C 101 52.905 52.905 54.545 -1.640 19235 1288 1 2 . 1 1 101 101 HIS CB C 101 32.335 32.335 33.002 -0.667 19235 1289 1 2 . 1 1 101 101 HIS H H 101 8.714 8.714 8.692 0.022 19235 1290 1 2 . 1 1 102 102 SER N N 102 121.048 121.048 122.714 -1.666 19235 1291 1 2 . 1 1 102 102 SER HA H 102 5.023 5.023 4.960 0.063 19235 1292 1 2 . 1 1 102 102 SER C C 102 175.564 175.564 173.753 1.811 19235 1293 1 2 . 1 1 102 102 SER CA C 102 57.264 57.264 56.986 0.278 19235 1294 1 2 . 1 1 102 102 SER CB C 102 66.564 66.564 65.416 1.148 19235 1295 1 2 . 1 1 102 102 SER H H 102 9.804 9.804 7.725 2.079 19235 1296 1 2 . 1 1 103 103 ASN N N 103 110.931 110.931 114.808 -3.877 19235 1297 1 2 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.437 -0.045 19235 1298 1 2 . 1 1 103 103 ASN C C 103 176.631 176.631 173.998 2.633 19235 1299 1 2 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.363 0.023 19235 1300 1 2 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.442 0.091 19235 1301 1 2 . 1 1 103 103 ASN H H 103 8.304 8.304 8.574 -0.270 19235 1302 1 2 . 1 1 104 104 TRP N N 104 119.944 119.944 120.104 -0.160 19235 1303 1 2 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.830 -0.548 19235 1304 1 2 . 1 1 104 104 TRP C C 104 179.325 179.325 176.679 2.646 19235 1305 1 2 . 1 1 104 104 TRP CA C 104 58.316 58.316 57.316 1.000 19235 1306 1 2 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.081 -2.358 19235 1307 1 2 . 1 1 104 104 TRP H H 104 8.669 8.669 8.812 -0.143 19235 1308 1 2 . 1 1 105 105 HIS N N 105 121.315 121.315 123.602 -2.287 19235 1309 1 2 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.406 0.060 19235 1310 1 2 . 1 1 105 105 HIS C C 105 176.866 176.866 174.365 2.501 19235 1311 1 2 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.306 1.120 19235 1312 1 2 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.977 0.041 19235 1313 1 2 . 1 1 105 105 HIS H H 105 8.919 8.919 9.161 -0.242 19235 1314 1 2 . 1 1 106 106 GLU N N 106 112.392 112.392 115.912 -3.520 19235 1315 1 2 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.531 -0.002 19235 1316 1 2 . 1 1 106 106 GLU C C 106 175.482 175.482 175.505 -0.023 19235 1317 1 2 . 1 1 106 106 GLU CA C 106 54.346 54.346 54.332 0.014 19235 1318 1 2 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.853 0.463 19235 1319 1 2 . 1 1 106 106 GLU H H 106 7.800 7.800 8.089 -0.289 19235 1320 1 2 . 1 1 107 107 THR N N 107 117.872 117.872 113.942 3.930 19235 1321 1 2 . 1 1 107 107 THR HA H 107 4.261 4.261 4.209 0.052 19235 1322 1 2 . 1 1 107 107 THR C C 107 175.517 175.517 174.525 0.992 19235 1323 1 2 . 1 1 107 107 THR CA C 107 63.456 63.456 61.941 1.514 19235 1324 1 2 . 1 1 107 107 THR CB C 107 68.072 68.072 67.694 0.378 19235 1325 1 2 . 1 1 107 107 THR H H 107 8.668 8.668 8.432 0.236 19235 1326 1 2 . 1 1 108 108 THR N N 108 116.177 116.177 117.399 -1.222 19235 1327 1 2 . 1 1 108 108 THR HA H 108 4.720 4.720 4.469 0.251 19235 1328 1 2 . 1 1 108 108 THR C C 108 176.376 176.376 175.379 0.997 19235 1329 1 2 . 1 1 108 108 THR CA C 108 59.356 59.356 59.944 -0.588 19235 1330 1 2 . 1 1 108 108 THR CB C 108 73.275 73.275 70.825 2.450 19235 1331 1 2 . 1 1 108 108 THR H H 108 6.802 6.802 7.914 -1.112 19235 1332 1 2 . 1 1 109 109 ASP C C 109 179.100 179.100 177.585 1.515 19235 1333 1 2 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.621 0.839 19235 1334 1 2 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.304 -0.137 19235 1335 1 2 . 1 1 110 110 PHE N N 110 119.151 119.151 120.964 -1.813 19235 1336 1 2 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.909 0.642 19235 1337 1 2 . 1 1 110 110 PHE C C 110 179.054 179.054 176.976 2.078 19235 1338 1 2 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.744 -0.033 19235 1339 1 2 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.855 -0.429 19235 1340 1 2 . 1 1 110 110 PHE H H 110 8.463 8.463 7.490 0.973 19235 1341 1 2 . 1 1 111 111 MET N N 111 122.801 122.801 118.676 4.125 19235 1342 1 2 . 1 1 111 111 MET HA H 111 3.061 3.061 3.315 -0.254 19235 1343 1 2 . 1 1 111 111 MET C C 111 178.661 178.661 177.238 1.423 19235 1344 1 2 . 1 1 111 111 MET CA C 111 59.888 59.888 57.720 2.168 19235 1345 1 2 . 1 1 111 111 MET CB C 111 31.587 31.587 30.968 0.619 19235 1346 1 2 . 1 1 111 111 MET H H 111 8.261 8.261 7.849 0.412 19235 1347 1 2 . 1 1 112 112 ALA N N 112 121.236 121.236 120.969 0.267 19235 1348 1 2 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.642 0.195 19235 1349 1 2 . 1 1 112 112 ALA C C 112 179.201 179.201 179.229 -0.028 19235 1350 1 2 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.729 0.060 19235 1351 1 2 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.640 0.523 19235 1352 1 2 . 1 1 112 112 ALA H H 112 7.744 7.744 7.434 0.310 19235 1353 1 2 . 1 1 113 113 HIS N N 113 116.411 116.411 117.691 -1.280 19235 1354 1 2 . 1 1 113 113 HIS HA H 113 4.333 4.333 3.980 0.353 19235 1355 1 2 . 1 1 113 113 HIS C C 113 178.145 178.145 177.376 0.769 19235 1356 1 2 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.586 1.615 19235 1357 1 2 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.620 0.221 19235 1358 1 2 . 1 1 113 113 HIS H H 113 8.275 8.275 7.785 0.490 19235 1359 1 2 . 1 1 114 114 CYS N N 114 114.740 114.740 116.874 -2.134 19235 1360 1 2 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.459 0.502 19235 1361 1 2 . 1 1 114 114 CYS C C 114 177.431 177.431 175.672 1.759 19235 1362 1 2 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.063 0.428 19235 1363 1 2 . 1 1 114 114 CYS CB C 114 26.608 26.608 25.843 0.765 19235 1364 1 2 . 1 1 114 114 CYS H H 114 8.456 8.456 7.779 0.677 19235 1365 1 2 . 1 1 115 115 ASN N N 115 120.985 120.985 117.831 3.154 19235 1366 1 2 . 1 1 115 115 ASN HA H 115 4.709 4.709 3.859 0.850 19235 1367 1 2 . 1 1 115 115 ASN C C 115 179.521 179.521 176.941 2.580 19235 1368 1 2 . 1 1 115 115 ASN CA C 115 58.086 58.086 55.965 2.122 19235 1369 1 2 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.201 0.718 19235 1370 1 2 . 1 1 115 115 ASN H H 115 8.983 8.983 7.641 1.342 19235 1371 1 2 . 1 1 116 116 THR N N 116 119.651 119.651 117.032 2.619 19235 1372 1 2 . 1 1 116 116 THR HA H 116 4.227 4.227 3.645 0.582 19235 1373 1 2 . 1 1 116 116 THR C C 116 177.405 177.405 176.280 1.125 19235 1374 1 2 . 1 1 116 116 THR CA C 116 67.150 67.150 66.844 0.306 19235 1375 1 2 . 1 1 116 116 THR CB C 116 68.365 68.365 68.563 -0.198 19235 1376 1 2 . 1 1 116 116 THR H H 116 8.704 8.704 7.867 0.837 19235 1377 1 2 . 1 1 117 117 LYS N N 117 121.343 121.343 121.362 -0.019 19235 1378 1 2 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.402 0.878 19235 1379 1 2 . 1 1 117 117 LYS C C 117 180.250 180.250 178.584 1.666 19235 1380 1 2 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.038 -1.936 19235 1381 1 2 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.666 -1.180 19235 1382 1 2 . 1 1 117 117 LYS H H 117 9.148 9.148 7.459 1.689 19235 1383 1 2 . 1 1 118 118 TRP N N 118 117.603 117.603 119.789 -2.186 19235 1384 1 2 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.137 0.743 19235 1385 1 2 . 1 1 118 118 TRP C C 118 180.118 180.118 178.338 1.780 19235 1386 1 2 . 1 1 118 118 TRP CA C 118 59.768 59.768 58.421 1.347 19235 1387 1 2 . 1 1 118 118 TRP CB C 118 30.516 30.516 28.020 2.496 19235 1388 1 2 . 1 1 118 118 TRP H H 118 9.212 9.212 7.896 1.316 19235 1389 1 2 . 1 1 119 119 ALA N N 119 117.358 117.358 121.466 -4.108 19235 1390 1 2 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.814 -0.391 19235 1391 1 2 . 1 1 119 119 ALA C C 119 179.726 179.726 179.341 0.385 19235 1392 1 2 . 1 1 119 119 ALA CA C 119 55.525 55.525 55.126 0.399 19235 1393 1 2 . 1 1 119 119 ALA CB C 119 18.390 18.390 18.013 0.377 19235 1394 1 2 . 1 1 119 119 ALA H H 119 7.132 7.132 7.768 -0.636 19235 1395 1 2 . 1 1 120 120 VAL N N 120 112.004 112.004 118.798 -6.794 19235 1396 1 2 . 1 1 120 120 VAL H H 120 7.188 7.188 7.675 -0.487 19235 1397 1 2 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.415 0.650 19235 1398 1 2 . 1 1 121 121 PHE C C 121 178.810 178.810 178.764 0.046 19235 1399 1 2 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.436 2.230 19235 1400 1 2 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.804 -0.001 19235 1401 1 2 . 1 1 122 122 LEU N N 122 121.854 121.854 119.890 1.964 19235 1402 1 2 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.852 0.149 19235 1403 1 2 . 1 1 122 122 LEU C C 122 180.149 180.149 178.880 1.269 19235 1404 1 2 . 1 1 122 122 LEU CA C 122 57.579 57.579 58.122 -0.543 19235 1405 1 2 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.734 -2.060 19235 1406 1 2 . 1 1 122 122 LEU H H 122 8.598 8.598 8.343 0.255 19235 1407 1 2 . 1 1 123 123 LEU N N 123 120.284 120.284 119.266 1.018 19235 1408 1 2 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.809 0.201 19235 1409 1 2 . 1 1 123 123 LEU C C 123 179.701 179.701 179.073 0.628 19235 1410 1 2 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.404 -0.513 19235 1411 1 2 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.249 -1.016 19235 1412 1 2 . 1 1 123 123 LEU H H 123 8.154 8.154 8.372 -0.218 19235 1413 1 2 . 1 1 124 124 SER N N 124 113.478 113.478 115.108 -1.630 19235 1414 1 2 . 1 1 124 124 SER HA H 124 4.586 4.586 4.172 0.414 19235 1415 1 2 . 1 1 124 124 SER C C 124 177.749 177.749 176.607 1.142 19235 1416 1 2 . 1 1 124 124 SER CA C 124 60.660 60.660 61.474 -0.814 19235 1417 1 2 . 1 1 124 124 SER CB C 124 62.601 62.601 63.322 -0.721 19235 1418 1 2 . 1 1 124 124 SER H H 124 7.537 7.537 8.217 -0.680 19235 1419 1 2 . 1 1 125 125 LEU N N 125 120.955 120.955 123.160 -2.205 19235 1420 1 2 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.559 0.107 19235 1421 1 2 . 1 1 125 125 LEU C C 125 177.940 177.940 177.611 0.329 19235 1422 1 2 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.325 1.197 19235 1423 1 2 . 1 1 125 125 LEU CB C 125 39.723 39.723 40.930 -1.207 19235 1424 1 2 . 1 1 125 125 LEU H H 125 8.021 8.021 8.114 -0.093 19235 1425 1 2 . 1 1 126 126 LYS N N 126 118.428 118.428 119.594 -1.166 19235 1426 1 2 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.885 0.686 19235 1427 1 2 . 1 1 126 126 LYS C C 126 178.885 178.885 178.597 0.288 19235 1428 1 2 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.936 0.230 19235 1429 1 2 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.106 0.990 19235 1430 1 2 . 1 1 126 126 LYS H H 126 7.899 7.899 8.125 -0.226 19235 1431 1 2 . 1 1 127 127 ASP N N 127 119.536 119.536 119.598 -0.062 19235 1432 1 2 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.470 0.063 19235 1433 1 2 . 1 1 127 127 ASP C C 127 180.864 180.864 178.458 2.406 19235 1434 1 2 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.122 0.624 19235 1435 1 2 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.412 -0.576 19235 1436 1 2 . 1 1 127 127 ASP H H 127 8.620 8.620 8.112 0.508 19235 1437 1 2 . 1 1 128 128 ALA N N 128 123.280 123.280 122.821 0.459 19235 1438 1 2 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.307 -0.580 19235 1439 1 2 . 1 1 128 128 ALA C C 128 181.336 181.336 179.871 1.465 19235 1440 1 2 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.161 0.359 19235 1441 1 2 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.568 -1.420 19235 1442 1 2 . 1 1 128 128 ALA H H 128 9.439 9.439 8.144 1.295 19235 1443 1 2 . 1 1 129 129 LEU N N 129 115.298 115.298 117.765 -2.467 19235 1444 1 2 . 1 1 129 129 LEU HA H 129 4.205 4.205 3.962 0.243 19235 1445 1 2 . 1 1 129 129 LEU C C 129 179.484 179.484 178.914 0.570 19235 1446 1 2 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.760 -2.108 19235 1447 1 2 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.991 -0.472 19235 1448 1 2 . 1 1 129 129 LEU H H 129 7.664 7.664 7.777 -0.113 19235 1449 1 2 . 1 1 130 130 GLU N N 130 117.821 117.821 116.905 0.916 19235 1450 1 2 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.130 0.168 19235 1451 1 2 . 1 1 130 130 GLU C C 130 179.567 179.567 178.179 1.388 19235 1452 1 2 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.554 0.330 19235 1453 1 2 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.268 0.533 19235 1454 1 2 . 1 1 130 130 GLU H H 130 8.605 8.605 7.889 0.716 19235 1455 1 2 . 1 1 131 131 ILE N N 131 112.140 112.140 116.267 -4.127 19235 1456 1 2 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.250 0.464 19235 1457 1 2 . 1 1 131 131 ILE C C 131 178.233 178.233 177.295 0.938 19235 1458 1 2 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.578 -0.585 19235 1459 1 2 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.593 -0.017 19235 1460 1 2 . 1 1 131 131 ILE H H 131 8.552 8.552 7.905 0.647 19235 1461 1 2 . 1 1 132 132 GLY N N 132 108.998 108.998 107.332 1.666 19235 1462 1 2 . 1 1 132 132 GLY C C 132 174.957 174.957 174.871 0.086 19235 1463 1 2 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.041 1.038 19235 1464 1 2 . 1 1 132 132 GLY H H 132 7.269 7.269 8.346 -1.077 19235 1465 1 2 . 1 1 133 133 LYS N N 133 120.920 120.920 119.962 0.958 19235 1466 1 2 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.157 0.495 19235 1467 1 2 . 1 1 133 133 LYS C C 133 175.857 175.857 177.927 -2.070 19235 1468 1 2 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.445 -1.684 19235 1469 1 2 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.776 1.189 19235 1470 1 2 . 1 1 133 133 LYS H H 133 7.024 7.024 7.783 -0.759 19235 1471 1 3 . 1 1 2 2 VAL N N 2 117.791 117.791 122.179 -4.388 19235 1472 1 3 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.266 0.180 19235 1473 1 3 . 1 1 2 2 VAL C C 2 174.276 174.276 174.356 -0.080 19235 1474 1 3 . 1 1 2 2 VAL CA C 2 60.702 60.702 62.366 -1.664 19235 1475 1 3 . 1 1 2 2 VAL CB C 2 35.163 35.163 32.742 2.421 19235 1476 1 3 . 1 1 2 2 VAL H H 2 8.851 8.851 8.848 0.003 19235 1477 1 3 . 1 1 3 3 ASN N N 3 117.814 117.814 121.756 -3.942 19235 1478 1 3 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.479 -0.028 19235 1479 1 3 . 1 1 3 3 ASN C C 3 175.197 175.197 174.269 0.928 19235 1480 1 3 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.525 -0.067 19235 1481 1 3 . 1 1 3 3 ASN CB C 3 41.180 41.180 42.054 -0.874 19235 1482 1 3 . 1 1 3 3 ASN H H 3 8.262 8.262 8.291 -0.029 19235 1483 1 3 . 1 1 4 4 ILE N N 4 121.231 121.231 120.534 0.697 19235 1484 1 3 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.152 -0.190 19235 1485 1 3 . 1 1 4 4 ILE C C 4 175.278 175.278 174.928 0.350 19235 1486 1 3 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.605 0.406 19235 1487 1 3 . 1 1 4 4 ILE CB C 4 40.337 40.337 39.297 1.040 19235 1488 1 3 . 1 1 4 4 ILE H H 4 8.533 8.533 8.683 -0.150 19235 1489 1 3 . 1 1 5 5 ASN N N 5 125.228 125.228 126.814 -1.586 19235 1490 1 3 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.192 0.374 19235 1491 1 3 . 1 1 5 5 ASN C C 5 174.061 174.061 173.906 0.155 19235 1492 1 3 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.072 0.588 19235 1493 1 3 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.606 2.055 19235 1494 1 3 . 1 1 5 5 ASN H H 5 8.109 8.109 8.784 -0.675 19235 1495 1 3 . 1 1 6 6 HIS N N 6 120.724 120.724 126.185 -5.461 19235 1496 1 3 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.916 0.369 19235 1497 1 3 . 1 1 6 6 HIS C C 6 177.102 177.102 172.931 4.171 19235 1498 1 3 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.440 0.186 19235 1499 1 3 . 1 1 6 6 HIS CB C 6 38.564 38.564 34.088 4.476 19235 1500 1 3 . 1 1 6 6 HIS H H 6 9.450 9.450 8.965 0.485 19235 1501 1 3 . 1 1 7 7 ARG N N 7 124.674 124.674 125.965 -1.291 19235 1502 1 3 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.409 -0.570 19235 1503 1 3 . 1 1 7 7 ARG C C 7 174.633 174.633 174.157 0.476 19235 1504 1 3 . 1 1 7 7 ARG CA C 7 56.600 56.600 55.074 1.526 19235 1505 1 3 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.318 0.264 19235 1506 1 3 . 1 1 7 7 ARG H H 7 8.973 8.973 8.023 0.950 19235 1507 1 3 . 1 1 8 8 ILE N N 8 120.886 120.886 126.079 -5.193 19235 1508 1 3 . 1 1 8 8 ILE H H 8 8.405 8.405 8.864 -0.459 19235 1509 1 3 . 1 1 10 10 ILE N N 10 120.117 120.117 123.443 -3.326 19235 1510 1 3 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.314 -0.631 19235 1511 1 3 . 1 1 10 10 ILE C C 10 177.081 177.081 175.213 1.868 19235 1512 1 3 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.369 -0.566 19235 1513 1 3 . 1 1 10 10 ILE CB C 10 40.775 40.775 42.103 -1.328 19235 1514 1 3 . 1 1 10 10 ILE H H 10 8.604 8.604 8.844 -0.240 19235 1515 1 3 . 1 1 11 11 LYS N N 11 133.535 133.535 127.167 6.368 19235 1516 1 3 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.324 0.167 19235 1517 1 3 . 1 1 11 11 LYS C C 11 174.943 174.943 174.937 0.006 19235 1518 1 3 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.320 -1.216 19235 1519 1 3 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.585 -1.504 19235 1520 1 3 . 1 1 11 11 LYS H H 11 10.550 10.550 8.960 1.590 19235 1521 1 3 . 1 1 12 12 ALA N N 12 123.135 123.135 122.703 0.432 19235 1522 1 3 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.676 -0.155 19235 1523 1 3 . 1 1 12 12 ALA C C 12 176.178 176.178 175.211 0.967 19235 1524 1 3 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.428 -0.664 19235 1525 1 3 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.217 -0.190 19235 1526 1 3 . 1 1 12 12 ALA H H 12 7.933 7.933 8.120 -0.187 19235 1527 1 3 . 1 1 13 13 SER N N 13 116.710 116.710 114.930 1.780 19235 1528 1 3 . 1 1 13 13 SER HA H 13 4.588 4.588 4.797 -0.209 19235 1529 1 3 . 1 1 13 13 SER C C 13 174.197 174.197 174.028 0.169 19235 1530 1 3 . 1 1 13 13 SER CA C 13 56.147 56.147 56.350 -0.203 19235 1531 1 3 . 1 1 13 13 SER CB C 13 62.656 62.656 62.953 -0.297 19235 1532 1 3 . 1 1 13 13 SER H H 13 8.492 8.492 8.534 -0.042 19235 1533 1 3 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.226 -0.174 19235 1534 1 3 . 1 1 14 14 PRO C C 14 178.833 178.833 178.402 0.431 19235 1535 1 3 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.643 -0.096 19235 1536 1 3 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.727 -0.418 19235 1537 1 3 . 1 1 15 15 GLU N N 15 116.821 116.821 117.805 -0.984 19235 1538 1 3 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.412 -0.144 19235 1539 1 3 . 1 1 15 15 GLU C C 15 180.574 180.574 179.080 1.494 19235 1540 1 3 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.529 0.136 19235 1541 1 3 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.197 -0.593 19235 1542 1 3 . 1 1 15 15 GLU H H 15 8.821 8.821 8.647 0.174 19235 1543 1 3 . 1 1 16 16 LYS N N 16 120.446 120.446 120.249 0.197 19235 1544 1 3 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.141 -0.110 19235 1545 1 3 . 1 1 16 16 LYS C C 16 181.277 181.277 179.314 1.963 19235 1546 1 3 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.713 -0.981 19235 1547 1 3 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.627 -0.710 19235 1548 1 3 . 1 1 16 16 LYS H H 16 7.634 7.634 7.941 -0.307 19235 1549 1 3 . 1 1 17 17 ILE N N 17 120.100 120.100 120.219 -0.119 19235 1550 1 3 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.759 -0.329 19235 1551 1 3 . 1 1 17 17 ILE C C 17 177.873 177.873 177.860 0.013 19235 1552 1 3 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.455 -0.406 19235 1553 1 3 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.237 -0.668 19235 1554 1 3 . 1 1 17 17 ILE H H 17 7.797 7.797 8.030 -0.233 19235 1555 1 3 . 1 1 18 18 TYR N N 18 119.139 119.139 119.879 -0.740 19235 1556 1 3 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.988 -0.225 19235 1557 1 3 . 1 1 18 18 TYR C C 18 181.847 181.847 178.484 3.363 19235 1558 1 3 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.076 0.600 19235 1559 1 3 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.408 0.798 19235 1560 1 3 . 1 1 18 18 TYR H H 18 9.072 9.072 8.195 0.877 19235 1561 1 3 . 1 1 19 19 GLN N N 19 120.579 120.579 118.839 1.740 19235 1562 1 3 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.911 -0.036 19235 1563 1 3 . 1 1 19 19 GLN C C 19 178.871 178.871 178.574 0.297 19235 1564 1 3 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.763 0.844 19235 1565 1 3 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.903 -0.721 19235 1566 1 3 . 1 1 19 19 GLN H H 19 8.330 8.330 8.416 -0.086 19235 1567 1 3 . 1 1 20 20 ALA N N 20 121.903 121.903 121.485 0.418 19235 1568 1 3 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.207 -0.081 19235 1569 1 3 . 1 1 20 20 ALA C C 20 177.058 177.058 178.928 -1.870 19235 1570 1 3 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.896 -0.826 19235 1571 1 3 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.863 -0.924 19235 1572 1 3 . 1 1 20 20 ALA H H 20 7.451 7.451 7.993 -0.542 19235 1573 1 3 . 1 1 21 21 LEU N N 21 112.471 112.471 115.247 -2.776 19235 1574 1 3 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.520 -0.699 19235 1575 1 3 . 1 1 21 21 LEU C C 21 178.910 178.910 177.828 1.082 19235 1576 1 3 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.806 -1.304 19235 1577 1 3 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.203 2.009 19235 1578 1 3 . 1 1 21 21 LEU H H 21 7.061 7.061 7.556 -0.495 19235 1579 1 3 . 1 1 22 22 THR N N 22 100.722 100.722 108.273 -7.551 19235 1580 1 3 . 1 1 22 22 THR HA H 22 4.558 4.558 4.424 0.134 19235 1581 1 3 . 1 1 22 22 THR C C 22 175.792 175.792 175.027 0.765 19235 1582 1 3 . 1 1 22 22 THR CA C 22 61.081 61.081 61.539 -0.458 19235 1583 1 3 . 1 1 22 22 THR CB C 22 71.747 71.747 69.958 1.789 19235 1584 1 3 . 1 1 22 22 THR H H 22 7.069 7.069 7.623 -0.554 19235 1585 1 3 . 1 1 23 23 THR N N 23 109.777 109.777 114.038 -4.261 19235 1586 1 3 . 1 1 23 23 THR HA H 23 4.893 4.893 4.556 0.337 19235 1587 1 3 . 1 1 23 23 THR C C 23 174.449 174.449 174.626 -0.177 19235 1588 1 3 . 1 1 23 23 THR CA C 23 58.343 58.343 59.721 -1.378 19235 1589 1 3 . 1 1 23 23 THR CB C 23 72.836 72.836 72.038 0.798 19235 1590 1 3 . 1 1 23 23 THR H H 23 7.308 7.308 7.703 -0.395 19235 1591 1 3 . 1 1 24 24 ASP N N 24 126.109 126.109 122.796 3.313 19235 1592 1 3 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.281 -0.045 19235 1593 1 3 . 1 1 24 24 ASP C C 24 179.062 179.062 177.505 1.557 19235 1594 1 3 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.451 0.821 19235 1595 1 3 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.011 -0.229 19235 1596 1 3 . 1 1 24 24 ASP H H 24 9.248 9.248 8.782 0.466 19235 1597 1 3 . 1 1 25 25 ASP N N 25 114.688 114.688 116.942 -2.254 19235 1598 1 3 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.374 -0.104 19235 1599 1 3 . 1 1 25 25 ASP C C 25 179.453 179.453 178.099 1.354 19235 1600 1 3 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.591 0.514 19235 1601 1 3 . 1 1 25 25 ASP CB C 25 40.404 40.404 39.979 0.425 19235 1602 1 3 . 1 1 25 25 ASP H H 25 8.640 8.640 8.557 0.083 19235 1603 1 3 . 1 1 26 26 GLY N N 26 108.020 108.020 106.235 1.785 19235 1604 1 3 . 1 1 26 26 GLY C C 26 176.629 176.629 175.683 0.946 19235 1605 1 3 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.158 1.254 19235 1606 1 3 . 1 1 26 26 GLY H H 26 7.756 7.756 7.686 0.070 19235 1607 1 3 . 1 1 27 27 LEU N N 27 124.486 124.486 122.074 2.412 19235 1608 1 3 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.330 1.218 19235 1609 1 3 . 1 1 27 27 LEU C C 27 180.999 180.999 178.214 2.785 19235 1610 1 3 . 1 1 27 27 LEU CA C 27 58.155 58.155 56.245 1.910 19235 1611 1 3 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.643 2.665 19235 1612 1 3 . 1 1 27 27 LEU H H 27 8.401 8.401 7.264 1.137 19235 1613 1 3 . 1 1 28 28 LYS N N 28 118.482 118.482 118.405 0.077 19235 1614 1 3 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.152 0.113 19235 1615 1 3 . 1 1 28 28 LYS C C 28 179.269 179.269 177.536 1.733 19235 1616 1 3 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.384 -1.437 19235 1617 1 3 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.001 1.644 19235 1618 1 3 . 1 1 28 28 LYS H H 28 7.864 7.864 7.897 -0.033 19235 1619 1 3 . 1 1 29 29 LYS N N 29 113.309 113.309 116.463 -3.154 19235 1620 1 3 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.046 0.149 19235 1621 1 3 . 1 1 29 29 LYS C C 29 178.869 178.869 177.393 1.476 19235 1622 1 3 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.241 -0.415 19235 1623 1 3 . 1 1 29 29 LYS CB C 29 32.849 32.849 32.924 -0.075 19235 1624 1 3 . 1 1 29 29 LYS H H 29 7.666 7.666 7.209 0.457 19235 1625 1 3 . 1 1 30 30 TRP N N 30 108.469 108.469 115.037 -6.568 19235 1626 1 3 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.809 0.451 19235 1627 1 3 . 1 1 30 30 TRP C C 30 176.975 176.975 174.390 2.585 19235 1628 1 3 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.020 -0.428 19235 1629 1 3 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.355 2.094 19235 1630 1 3 . 1 1 30 30 TRP H H 30 7.427 7.427 7.111 0.316 19235 1631 1 3 . 1 1 31 31 TRP N N 31 124.489 124.489 120.499 3.990 19235 1632 1 3 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.511 0.720 19235 1633 1 3 . 1 1 31 31 TRP C C 31 175.907 175.907 176.292 -0.385 19235 1634 1 3 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.644 -0.957 19235 1635 1 3 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.456 -1.468 19235 1636 1 3 . 1 1 31 31 TRP H H 31 7.525 7.525 7.574 -0.049 19235 1637 1 3 . 1 1 32 32 THR N N 32 107.670 107.670 110.537 -2.867 19235 1638 1 3 . 1 1 32 32 THR HA H 32 5.064 5.064 4.564 0.500 19235 1639 1 3 . 1 1 32 32 THR C C 32 171.071 171.071 174.111 -3.040 19235 1640 1 3 . 1 1 32 32 THR CA C 32 57.486 57.486 60.261 -2.775 19235 1641 1 3 . 1 1 32 32 THR CB C 32 67.302 67.302 70.320 -3.018 19235 1642 1 3 . 1 1 32 32 THR H H 32 6.582 6.582 7.912 -1.330 19235 1643 1 3 . 1 1 33 33 ASN N N 33 118.705 118.705 118.713 -0.008 19235 1644 1 3 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.771 -0.056 19235 1645 1 3 . 1 1 33 33 ASN C C 33 176.424 176.424 174.617 1.807 19235 1646 1 3 . 1 1 33 33 ASN CA C 33 54.187 54.187 54.453 -0.266 19235 1647 1 3 . 1 1 33 33 ASN CB C 33 37.878 37.878 39.223 -1.345 19235 1648 1 3 . 1 1 33 33 ASN H H 33 8.281 8.281 8.814 -0.533 19235 1649 1 3 . 1 1 34 34 ASP N N 34 121.174 121.174 120.496 0.678 19235 1650 1 3 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.799 -0.069 19235 1651 1 3 . 1 1 34 34 ASP C C 34 174.163 174.163 173.670 0.493 19235 1652 1 3 . 1 1 34 34 ASP CA C 34 52.699 52.699 52.627 0.072 19235 1653 1 3 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.079 -0.639 19235 1654 1 3 . 1 1 34 34 ASP H H 34 6.751 6.751 7.751 -1.000 19235 1655 1 3 . 1 1 35 35 ILE N N 35 120.932 120.932 125.948 -5.016 19235 1656 1 3 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.798 -0.235 19235 1657 1 3 . 1 1 35 35 ILE C C 35 175.512 175.512 174.953 0.559 19235 1658 1 3 . 1 1 35 35 ILE CA C 35 60.429 60.429 60.087 0.342 19235 1659 1 3 . 1 1 35 35 ILE CB C 35 42.109 42.109 39.959 2.150 19235 1660 1 3 . 1 1 35 35 ILE H H 35 6.805 6.805 8.100 -1.295 19235 1661 1 3 . 1 1 36 36 SER N N 36 117.993 117.993 120.567 -2.574 19235 1662 1 3 . 1 1 36 36 SER HA H 36 4.600 4.600 4.773 -0.173 19235 1663 1 3 . 1 1 36 36 SER C C 36 174.509 174.509 174.157 0.352 19235 1664 1 3 . 1 1 36 36 SER CA C 36 56.936 56.936 56.505 0.431 19235 1665 1 3 . 1 1 36 36 SER CB C 36 65.556 65.556 65.861 -0.305 19235 1666 1 3 . 1 1 36 36 SER H H 36 7.508 7.508 8.350 -0.842 19235 1667 1 3 . 1 1 37 37 GLY N N 37 112.153 112.153 110.116 2.037 19235 1668 1 3 . 1 1 37 37 GLY C C 37 175.786 175.786 173.204 2.582 19235 1669 1 3 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.153 -0.285 19235 1670 1 3 . 1 1 37 37 GLY H H 37 8.914 8.914 8.489 0.425 19235 1671 1 3 . 1 1 38 38 ALA N N 38 125.303 125.303 124.151 1.152 19235 1672 1 3 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.910 -0.261 19235 1673 1 3 . 1 1 38 38 ALA C C 38 179.569 179.569 176.252 3.317 19235 1674 1 3 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.585 1.714 19235 1675 1 3 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.208 0.058 19235 1676 1 3 . 1 1 38 38 ALA H H 38 10.037 10.037 8.248 1.789 19235 1677 1 3 . 1 1 39 39 GLY N N 39 110.076 110.076 106.809 3.267 19235 1678 1 3 . 1 1 39 39 GLY C C 39 175.023 175.023 174.215 0.808 19235 1679 1 3 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.942 1.988 19235 1680 1 3 . 1 1 39 39 GLY H H 39 6.982 6.982 7.739 -0.757 19235 1681 1 3 . 1 1 40 40 VAL N N 40 114.196 114.196 117.103 -2.907 19235 1682 1 3 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.444 -0.160 19235 1683 1 3 . 1 1 40 40 VAL C C 40 177.795 177.795 176.186 1.609 19235 1684 1 3 . 1 1 40 40 VAL CA C 40 61.133 61.133 60.924 0.209 19235 1685 1 3 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.581 -0.703 19235 1686 1 3 . 1 1 40 40 VAL H H 40 7.857 7.857 7.788 0.069 19235 1687 1 3 . 1 1 41 41 VAL N N 41 120.950 120.950 120.791 0.159 19235 1688 1 3 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.552 0.016 19235 1689 1 3 . 1 1 41 41 VAL C C 41 177.788 177.788 176.712 1.076 19235 1690 1 3 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.757 1.439 19235 1691 1 3 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.216 -0.028 19235 1692 1 3 . 1 1 41 41 VAL H H 41 8.469 8.469 8.432 0.037 19235 1693 1 3 . 1 1 42 42 GLY N N 42 116.155 116.155 115.956 0.199 19235 1694 1 3 . 1 1 42 42 GLY C C 42 176.032 176.032 174.220 1.812 19235 1695 1 3 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.654 -0.262 19235 1696 1 3 . 1 1 42 42 GLY H H 42 9.266 9.266 8.843 0.423 19235 1697 1 3 . 1 1 43 43 SER N N 43 118.352 118.352 117.508 0.844 19235 1698 1 3 . 1 1 43 43 SER HA H 43 4.385 4.385 4.439 -0.054 19235 1699 1 3 . 1 1 43 43 SER C C 43 173.302 173.302 174.073 -0.771 19235 1700 1 3 . 1 1 43 43 SER CA C 43 59.910 59.910 58.478 1.432 19235 1701 1 3 . 1 1 43 43 SER CB C 43 63.931 63.931 64.357 -0.426 19235 1702 1 3 . 1 1 43 43 SER H H 43 8.408 8.408 8.157 0.251 19235 1703 1 3 . 1 1 44 44 THR N N 44 118.418 118.418 123.009 -4.591 19235 1704 1 3 . 1 1 44 44 THR HA H 44 4.815 4.815 4.523 0.292 19235 1705 1 3 . 1 1 44 44 THR C C 44 173.450 173.450 173.831 -0.381 19235 1706 1 3 . 1 1 44 44 THR CA C 44 62.444 62.444 61.864 0.580 19235 1707 1 3 . 1 1 44 44 THR CB C 44 69.663 69.663 69.841 -0.178 19235 1708 1 3 . 1 1 44 44 THR H H 44 8.386 8.386 8.294 0.092 19235 1709 1 3 . 1 1 45 45 ILE N N 45 127.861 127.861 128.815 -0.954 19235 1710 1 3 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.327 -0.489 19235 1711 1 3 . 1 1 45 45 ILE C C 45 176.164 176.164 174.436 1.728 19235 1712 1 3 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.465 -0.042 19235 1713 1 3 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.418 -0.885 19235 1714 1 3 . 1 1 45 45 ILE H H 45 9.423 9.423 8.897 0.526 19235 1715 1 3 . 1 1 46 46 LYS N N 46 125.403 125.403 127.771 -2.368 19235 1716 1 3 . 1 1 46 46 LYS HA H 46 4.523 4.523 4.852 -0.329 19235 1717 1 3 . 1 1 46 46 LYS C C 46 176.574 176.574 174.827 1.747 19235 1718 1 3 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.383 1.243 19235 1719 1 3 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.298 -3.349 19235 1720 1 3 . 1 1 46 46 LYS H H 46 8.388 8.388 8.443 -0.055 19235 1721 1 3 . 1 1 47 47 PHE N N 47 124.081 124.081 126.006 -1.925 19235 1722 1 3 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.622 -0.221 19235 1723 1 3 . 1 1 47 47 PHE C C 47 177.107 177.107 174.086 3.021 19235 1724 1 3 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.675 0.479 19235 1725 1 3 . 1 1 47 47 PHE CB C 47 39.637 39.637 39.331 0.305 19235 1726 1 3 . 1 1 47 47 PHE H H 47 8.026 8.026 8.380 -0.354 19235 1727 1 3 . 1 1 48 48 ARG N N 48 121.376 121.376 124.628 -3.252 19235 1728 1 3 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.466 0.094 19235 1729 1 3 . 1 1 48 48 ARG C C 48 175.042 175.042 175.198 -0.156 19235 1730 1 3 . 1 1 48 48 ARG CA C 48 52.582 52.582 55.504 -2.922 19235 1731 1 3 . 1 1 48 48 ARG CB C 48 32.558 32.558 30.970 1.588 19235 1732 1 3 . 1 1 48 48 ARG H H 48 8.521 8.521 8.359 0.162 19235 1733 1 3 . 1 1 49 49 PHE N N 49 121.884 121.884 126.955 -5.071 19235 1734 1 3 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.879 -1.080 19235 1735 1 3 . 1 1 49 49 PHE C C 49 175.580 175.580 177.843 -2.263 19235 1736 1 3 . 1 1 49 49 PHE CA C 49 55.306 55.306 54.899 0.407 19235 1737 1 3 . 1 1 49 49 PHE CB C 49 37.110 37.110 39.879 -2.769 19235 1738 1 3 . 1 1 49 49 PHE H H 49 8.649 8.649 8.170 0.479 19235 1739 1 3 . 1 1 50 50 ASN N N 50 121.994 121.994 119.187 2.807 19235 1740 1 3 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.595 -0.183 19235 1741 1 3 . 1 1 50 50 ASN C C 50 177.277 177.277 176.287 0.990 19235 1742 1 3 . 1 1 50 50 ASN CA C 50 54.317 54.317 55.287 -0.970 19235 1743 1 3 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.216 -1.092 19235 1744 1 3 . 1 1 50 50 ASN H H 50 9.296 9.296 8.894 0.402 19235 1745 1 3 . 1 1 51 51 GLY N N 51 103.211 103.211 103.893 -0.682 19235 1746 1 3 . 1 1 51 51 GLY C C 51 175.077 175.077 173.542 1.535 19235 1747 1 3 . 1 1 51 51 GLY CA C 51 45.628 45.628 44.531 1.097 19235 1748 1 3 . 1 1 51 51 GLY H H 51 8.532 8.532 8.332 0.200 19235 1749 1 3 . 1 1 52 52 GLY N N 52 106.323 106.323 107.899 -1.576 19235 1750 1 3 . 1 1 52 52 GLY C C 52 173.770 173.770 173.283 0.487 19235 1751 1 3 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.650 -1.163 19235 1752 1 3 . 1 1 52 52 GLY H H 52 7.215 7.215 7.501 -0.286 19235 1753 1 3 . 1 1 53 53 GLY N N 53 109.867 109.867 108.771 1.096 19235 1754 1 3 . 1 1 53 53 GLY C C 53 169.984 169.984 171.749 -1.765 19235 1755 1 3 . 1 1 53 53 GLY CA C 53 45.504 45.504 42.551 2.953 19235 1756 1 3 . 1 1 53 53 GLY H H 53 8.412 8.412 7.959 0.453 19235 1757 1 3 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.397 0.966 19235 1758 1 3 . 1 1 54 54 PRO C C 54 175.960 175.960 175.020 0.940 19235 1759 1 3 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.416 0.219 19235 1760 1 3 . 1 1 54 54 PRO CB C 54 33.340 33.340 33.304 0.036 19235 1761 1 3 . 1 1 55 55 ASP N N 55 118.374 118.374 118.854 -0.480 19235 1762 1 3 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.480 0.298 19235 1763 1 3 . 1 1 55 55 ASP C C 55 176.144 176.144 174.626 1.518 19235 1764 1 3 . 1 1 55 55 ASP CA C 55 51.576 51.576 52.930 -1.354 19235 1765 1 3 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.870 -3.399 19235 1766 1 3 . 1 1 55 55 ASP H H 55 6.732 6.732 7.545 -0.813 19235 1767 1 3 . 1 1 56 56 PHE N N 56 116.916 116.916 121.212 -4.296 19235 1768 1 3 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.882 0.201 19235 1769 1 3 . 1 1 56 56 PHE C C 56 175.088 175.088 174.611 0.477 19235 1770 1 3 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.597 0.765 19235 1771 1 3 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.832 1.464 19235 1772 1 3 . 1 1 56 56 PHE H H 56 9.140 9.140 9.005 0.135 19235 1773 1 3 . 1 1 57 57 LYS N N 57 123.219 123.219 124.948 -1.729 19235 1774 1 3 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.740 0.498 19235 1775 1 3 . 1 1 57 57 LYS C C 57 177.979 177.979 175.809 2.170 19235 1776 1 3 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.240 -0.930 19235 1777 1 3 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.509 -0.579 19235 1778 1 3 . 1 1 57 57 LYS H H 57 9.574 9.574 9.100 0.474 19235 1779 1 3 . 1 1 58 58 VAL N N 58 127.037 127.037 128.193 -1.156 19235 1780 1 3 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.469 0.198 19235 1781 1 3 . 1 1 58 58 VAL C C 58 178.738 178.738 176.557 2.181 19235 1782 1 3 . 1 1 58 58 VAL CA C 58 63.756 63.756 63.183 0.573 19235 1783 1 3 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.816 -0.083 19235 1784 1 3 . 1 1 58 58 VAL H H 58 9.196 9.196 8.722 0.474 19235 1785 1 3 . 1 1 59 59 THR N N 59 120.775 120.775 120.269 0.506 19235 1786 1 3 . 1 1 59 59 THR HA H 59 4.716 4.716 4.483 0.233 19235 1787 1 3 . 1 1 59 59 THR C C 59 177.001 177.001 174.679 2.322 19235 1788 1 3 . 1 1 59 59 THR CA C 59 62.615 62.615 62.183 0.432 19235 1789 1 3 . 1 1 59 59 THR CB C 59 69.528 69.528 69.868 -0.340 19235 1790 1 3 . 1 1 59 59 THR H H 59 9.470 9.470 9.324 0.146 19235 1791 1 3 . 1 1 60 60 LYS N N 60 123.315 123.315 121.338 1.977 19235 1792 1 3 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.557 -0.125 19235 1793 1 3 . 1 1 60 60 LYS C C 60 174.225 174.225 174.039 0.186 19235 1794 1 3 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.632 1.287 19235 1795 1 3 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.210 -0.879 19235 1796 1 3 . 1 1 60 60 LYS H H 60 7.819 7.819 7.685 0.134 19235 1797 1 3 . 1 1 61 61 LEU N N 61 125.573 125.573 126.540 -0.967 19235 1798 1 3 . 1 1 61 61 LEU HA H 61 5.215 5.215 4.831 0.384 19235 1799 1 3 . 1 1 61 61 LEU C C 61 177.508 177.508 175.797 1.711 19235 1800 1 3 . 1 1 61 61 LEU CA C 61 54.354 54.354 54.026 0.328 19235 1801 1 3 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.369 0.400 19235 1802 1 3 . 1 1 61 61 LEU H H 61 8.354 8.354 8.607 -0.253 19235 1803 1 3 . 1 1 62 62 ILE N N 62 124.326 124.326 124.739 -0.413 19235 1804 1 3 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.616 0.155 19235 1805 1 3 . 1 1 62 62 ILE C C 62 175.200 175.200 174.298 0.902 19235 1806 1 3 . 1 1 62 62 ILE CA C 62 57.956 57.956 57.102 0.854 19235 1807 1 3 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.673 -1.386 19235 1808 1 3 . 1 1 62 62 ILE H H 62 9.340 9.340 9.050 0.290 19235 1809 1 3 . 1 1 63 63 PRO HA H 63 3.288 3.288 4.014 -0.726 19235 1810 1 3 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.678 0.190 19235 1811 1 3 . 1 1 64 64 ASN N N 64 113.559 113.559 116.823 -3.264 19235 1812 1 3 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.783 -0.328 19235 1813 1 3 . 1 1 64 64 ASN C C 64 174.053 174.053 174.224 -0.171 19235 1814 1 3 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.082 1.290 19235 1815 1 3 . 1 1 64 64 ASN CB C 64 36.870 36.870 37.155 -0.285 19235 1816 1 3 . 1 1 64 64 ASN H H 64 4.547 4.547 7.052 -2.505 19235 1817 1 3 . 1 1 65 65 LYS N N 65 116.786 116.786 117.072 -0.286 19235 1818 1 3 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.438 0.375 19235 1819 1 3 . 1 1 65 65 LYS C C 65 176.349 176.349 174.386 1.963 19235 1820 1 3 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.452 1.576 19235 1821 1 3 . 1 1 65 65 LYS CB C 65 36.436 36.436 34.523 1.913 19235 1822 1 3 . 1 1 65 65 LYS H H 65 8.222 8.222 7.812 0.410 19235 1823 1 3 . 1 1 66 66 THR N N 66 114.184 114.184 117.600 -3.416 19235 1824 1 3 . 1 1 66 66 THR HA H 66 5.462 5.462 5.437 0.025 19235 1825 1 3 . 1 1 66 66 THR C C 66 173.770 173.770 172.771 0.999 19235 1826 1 3 . 1 1 66 66 THR CA C 66 62.725 62.725 61.728 0.997 19235 1827 1 3 . 1 1 66 66 THR CB C 66 73.439 73.439 71.948 1.491 19235 1828 1 3 . 1 1 66 66 THR H H 66 8.667 8.667 7.787 0.880 19235 1829 1 3 . 1 1 67 67 VAL N N 67 127.075 127.075 126.693 0.382 19235 1830 1 3 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.780 -0.074 19235 1831 1 3 . 1 1 67 67 VAL C C 67 176.093 176.093 174.446 1.647 19235 1832 1 3 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.572 1.386 19235 1833 1 3 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.586 0.591 19235 1834 1 3 . 1 1 67 67 VAL H H 67 8.777 8.777 9.095 -0.318 19235 1835 1 3 . 1 1 68 68 CYS N N 68 122.749 122.749 125.874 -3.125 19235 1836 1 3 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.354 0.129 19235 1837 1 3 . 1 1 68 68 CYS C C 68 174.607 174.607 174.499 0.108 19235 1838 1 3 . 1 1 68 68 CYS CA C 68 57.137 57.137 57.512 -0.375 19235 1839 1 3 . 1 1 68 68 CYS CB C 68 30.674 30.674 28.685 1.989 19235 1840 1 3 . 1 1 68 68 CYS H H 68 8.987 8.987 8.857 0.130 19235 1841 1 3 . 1 1 69 69 TRP N N 69 123.217 123.217 124.490 -1.273 19235 1842 1 3 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.565 0.747 19235 1843 1 3 . 1 1 69 69 TRP C C 69 178.064 178.064 175.308 2.756 19235 1844 1 3 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.265 -1.467 19235 1845 1 3 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.651 3.489 19235 1846 1 3 . 1 1 69 69 TRP H H 69 9.612 9.612 9.565 0.047 19235 1847 1 3 . 1 1 70 70 GLN N N 70 122.556 122.556 120.161 2.395 19235 1848 1 3 . 1 1 70 70 GLN HA H 70 5.284 5.284 5.236 0.048 19235 1849 1 3 . 1 1 70 70 GLN C C 70 176.295 176.295 174.541 1.754 19235 1850 1 3 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.413 0.473 19235 1851 1 3 . 1 1 70 70 GLN CB C 70 33.277 33.277 33.196 0.081 19235 1852 1 3 . 1 1 70 70 GLN H H 70 10.132 10.132 9.308 0.824 19235 1853 1 3 . 1 1 71 71 HIS N N 71 128.443 128.443 127.207 1.236 19235 1854 1 3 . 1 1 71 71 HIS HA H 71 3.986 3.986 5.060 -1.074 19235 1855 1 3 . 1 1 71 71 HIS C C 71 175.251 175.251 173.512 1.739 19235 1856 1 3 . 1 1 71 71 HIS CA C 71 60.992 60.992 56.207 4.785 19235 1857 1 3 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.876 -0.650 19235 1858 1 3 . 1 1 71 71 HIS H H 71 8.947 8.947 8.883 0.064 19235 1859 1 3 . 1 1 72 72 ALA N N 72 131.788 131.788 127.174 4.614 19235 1860 1 3 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.745 -0.038 19235 1861 1 3 . 1 1 72 72 ALA C C 72 176.274 176.274 174.907 1.367 19235 1862 1 3 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.242 -0.741 19235 1863 1 3 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.098 -0.726 19235 1864 1 3 . 1 1 72 72 ALA H H 72 7.954 7.954 7.997 -0.043 19235 1865 1 3 . 1 1 73 73 GLY N N 73 107.065 107.065 107.989 -0.924 19235 1866 1 3 . 1 1 73 73 GLY C C 73 175.476 175.476 173.727 1.749 19235 1867 1 3 . 1 1 73 73 GLY CA C 73 44.907 44.907 44.792 0.115 19235 1868 1 3 . 1 1 73 73 GLY H H 73 8.037 8.037 8.418 -0.381 19235 1869 1 3 . 1 1 74 74 ASN N N 74 117.053 117.053 118.582 -1.529 19235 1870 1 3 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.914 0.344 19235 1871 1 3 . 1 1 74 74 ASN C C 74 175.858 175.858 175.273 0.585 19235 1872 1 3 . 1 1 74 74 ASN CA C 74 52.628 52.628 52.648 -0.020 19235 1873 1 3 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.667 0.951 19235 1874 1 3 . 1 1 74 74 ASN H H 74 8.214 8.214 8.546 -0.332 19235 1875 1 3 . 1 1 75 75 MET N N 75 118.795 118.795 120.495 -1.700 19235 1876 1 3 . 1 1 75 75 MET HA H 75 4.972 4.972 4.612 0.360 19235 1877 1 3 . 1 1 75 75 MET C C 75 176.426 176.426 174.891 1.535 19235 1878 1 3 . 1 1 75 75 MET CA C 75 52.203 52.203 52.509 -0.306 19235 1879 1 3 . 1 1 75 75 MET CB C 75 35.318 35.318 31.469 3.849 19235 1880 1 3 . 1 1 75 75 MET H H 75 8.685 8.685 7.618 1.067 19235 1881 1 3 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.519 0.399 19235 1882 1 3 . 1 1 76 76 PRO C C 76 179.193 179.193 177.635 1.558 19235 1883 1 3 . 1 1 76 76 PRO CA C 76 62.896 62.896 63.190 -0.294 19235 1884 1 3 . 1 1 76 76 PRO CB C 76 32.869 32.869 32.523 0.346 19235 1885 1 3 . 1 1 77 77 GLU N N 77 124.888 124.888 120.860 4.028 19235 1886 1 3 . 1 1 77 77 GLU HA H 77 3.802 3.802 4.014 -0.212 19235 1887 1 3 . 1 1 77 77 GLU C C 77 181.035 181.035 176.958 4.077 19235 1888 1 3 . 1 1 77 77 GLU CA C 77 60.350 60.350 58.759 1.591 19235 1889 1 3 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.446 -0.279 19235 1890 1 3 . 1 1 77 77 GLU H H 77 9.141 9.141 8.772 0.369 19235 1891 1 3 . 1 1 78 78 SER N N 78 111.049 111.049 112.312 -1.263 19235 1892 1 3 . 1 1 78 78 SER HA H 78 4.335 4.335 4.059 0.276 19235 1893 1 3 . 1 1 78 78 SER C C 78 174.864 174.864 174.130 0.734 19235 1894 1 3 . 1 1 78 78 SER CA C 78 60.184 60.184 60.271 -0.087 19235 1895 1 3 . 1 1 78 78 SER CB C 78 63.543 63.543 62.997 0.546 19235 1896 1 3 . 1 1 78 78 SER H H 78 8.349 8.349 8.212 0.137 19235 1897 1 3 . 1 1 79 79 TRP N N 79 115.554 115.554 119.810 -4.256 19235 1898 1 3 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.489 -0.174 19235 1899 1 3 . 1 1 79 79 TRP C C 79 178.135 178.135 176.123 2.012 19235 1900 1 3 . 1 1 79 79 TRP CA C 79 54.664 54.664 57.726 -3.062 19235 1901 1 3 . 1 1 79 79 TRP CB C 79 26.956 26.956 31.026 -4.069 19235 1902 1 3 . 1 1 79 79 TRP H H 79 7.492 7.492 7.695 -0.203 19235 1903 1 3 . 1 1 80 80 MET N N 80 123.060 123.060 116.049 7.011 19235 1904 1 3 . 1 1 80 80 MET HA H 80 4.677 4.677 5.240 -0.563 19235 1905 1 3 . 1 1 80 80 MET C C 80 179.026 179.026 176.803 2.223 19235 1906 1 3 . 1 1 80 80 MET CA C 80 58.410 58.410 55.816 2.594 19235 1907 1 3 . 1 1 80 80 MET CB C 80 32.136 32.136 33.929 -1.793 19235 1908 1 3 . 1 1 80 80 MET H H 80 7.570 7.570 8.075 -0.505 19235 1909 1 3 . 1 1 81 81 GLY N N 81 112.489 112.489 111.305 1.184 19235 1910 1 3 . 1 1 81 81 GLY C C 81 176.316 176.316 174.197 2.119 19235 1911 1 3 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.949 0.907 19235 1912 1 3 . 1 1 81 81 GLY H H 81 9.025 9.025 9.172 -0.147 19235 1913 1 3 . 1 1 82 82 THR N N 82 110.515 110.515 113.800 -3.285 19235 1914 1 3 . 1 1 82 82 THR HA H 82 4.925 4.925 4.358 0.567 19235 1915 1 3 . 1 1 82 82 THR C C 82 175.233 175.233 173.922 1.311 19235 1916 1 3 . 1 1 82 82 THR CA C 82 61.666 61.666 61.248 0.418 19235 1917 1 3 . 1 1 82 82 THR CB C 82 72.105 72.105 70.448 1.657 19235 1918 1 3 . 1 1 82 82 THR H H 82 8.201 8.201 7.417 0.784 19235 1919 1 3 . 1 1 83 83 GLU N N 83 117.578 117.578 121.975 -4.397 19235 1920 1 3 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.255 0.049 19235 1921 1 3 . 1 1 83 83 GLU C C 83 175.305 175.305 175.234 0.071 19235 1922 1 3 . 1 1 83 83 GLU CA C 83 54.829 54.829 55.380 -0.551 19235 1923 1 3 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.155 0.624 19235 1924 1 3 . 1 1 83 83 GLU H H 83 8.098 8.098 8.516 -0.418 19235 1925 1 3 . 1 1 84 84 ILE N N 84 122.729 122.729 123.207 -0.478 19235 1926 1 3 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.765 0.079 19235 1927 1 3 . 1 1 84 84 ILE C C 84 175.731 175.731 174.230 1.501 19235 1928 1 3 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.980 -0.848 19235 1929 1 3 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.276 0.189 19235 1930 1 3 . 1 1 84 84 ILE H H 84 9.191 9.191 9.170 0.021 19235 1931 1 3 . 1 1 85 85 SER N N 85 119.684 119.684 119.759 -0.075 19235 1932 1 3 . 1 1 85 85 SER HA H 85 5.269 5.269 5.127 0.142 19235 1933 1 3 . 1 1 85 85 SER C C 85 173.140 173.140 172.838 0.302 19235 1934 1 3 . 1 1 85 85 SER CA C 85 55.616 55.616 55.815 -0.199 19235 1935 1 3 . 1 1 85 85 SER CB C 85 66.396 66.396 65.017 1.379 19235 1936 1 3 . 1 1 85 85 SER H H 85 8.264 8.264 8.587 -0.323 19235 1937 1 3 . 1 1 86 86 PHE N N 86 120.734 120.734 124.690 -3.956 19235 1938 1 3 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.234 -0.426 19235 1939 1 3 . 1 1 86 86 PHE C C 86 175.882 175.882 174.364 1.518 19235 1940 1 3 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.276 -0.131 19235 1941 1 3 . 1 1 86 86 PHE CB C 86 41.089 41.089 40.547 0.542 19235 1942 1 3 . 1 1 86 86 PHE H H 86 9.202 9.202 9.333 -0.131 19235 1943 1 3 . 1 1 87 87 GLN N N 87 120.452 120.452 124.503 -4.051 19235 1944 1 3 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.240 0.181 19235 1945 1 3 . 1 1 87 87 GLN C C 87 176.561 176.561 174.474 2.087 19235 1946 1 3 . 1 1 87 87 GLN CA C 87 53.950 53.950 53.990 -0.040 19235 1947 1 3 . 1 1 87 87 GLN CB C 87 30.701 30.701 31.514 -0.813 19235 1948 1 3 . 1 1 87 87 GLN H H 87 8.663 8.663 9.009 -0.346 19235 1949 1 3 . 1 1 88 88 LEU N N 88 126.610 126.610 129.182 -2.572 19235 1950 1 3 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.246 0.204 19235 1951 1 3 . 1 1 88 88 LEU C C 88 178.015 178.015 177.084 0.931 19235 1952 1 3 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.069 0.217 19235 1953 1 3 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.251 -1.286 19235 1954 1 3 . 1 1 88 88 LEU H H 88 9.315 9.315 8.748 0.567 19235 1955 1 3 . 1 1 89 89 GLU N N 89 123.568 123.568 123.836 -0.268 19235 1956 1 3 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.720 0.072 19235 1957 1 3 . 1 1 89 89 GLU C C 89 176.006 176.006 175.567 0.439 19235 1958 1 3 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.783 0.675 19235 1959 1 3 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.825 -0.200 19235 1960 1 3 . 1 1 89 89 GLU H H 89 8.862 8.862 9.094 -0.232 19235 1961 1 3 . 1 1 90 90 THR N N 90 124.266 124.266 121.825 2.441 19235 1962 1 3 . 1 1 90 90 THR HA H 90 4.828 4.828 4.053 0.775 19235 1963 1 3 . 1 1 90 90 THR C C 90 175.572 175.572 174.078 1.494 19235 1964 1 3 . 1 1 90 90 THR CA C 90 63.397 63.397 63.657 -0.260 19235 1965 1 3 . 1 1 90 90 THR CB C 90 69.628 69.628 69.228 0.400 19235 1966 1 3 . 1 1 90 90 THR H H 90 9.120 9.120 8.567 0.553 19235 1967 1 3 . 1 1 91 91 VAL N N 91 125.506 125.506 126.563 -1.057 19235 1968 1 3 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.127 0.370 19235 1969 1 3 . 1 1 91 91 VAL C C 91 176.665 176.665 175.216 1.449 19235 1970 1 3 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.912 1.279 19235 1971 1 3 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.062 0.440 19235 1972 1 3 . 1 1 91 91 VAL H H 91 8.729 8.729 8.291 0.438 19235 1973 1 3 . 1 1 92 92 GLU C C 92 177.778 177.778 176.874 0.904 19235 1974 1 3 . 1 1 93 93 ASN N N 93 115.899 115.899 115.061 0.838 19235 1975 1 3 . 1 1 93 93 ASN C C 93 174.644 174.644 175.257 -0.613 19235 1976 1 3 . 1 1 93 93 ASN H H 93 8.372 8.372 8.281 0.091 19235 1977 1 3 . 1 1 94 94 GLN N N 94 114.412 114.412 116.842 -2.430 19235 1978 1 3 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.563 0.055 19235 1979 1 3 . 1 1 94 94 GLN C C 94 173.810 173.810 174.034 -0.224 19235 1980 1 3 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.629 0.034 19235 1981 1 3 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.714 -2.935 19235 1982 1 3 . 1 1 94 94 GLN H H 94 7.505 7.505 7.663 -0.158 19235 1983 1 3 . 1 1 95 95 THR N N 95 117.223 117.223 116.693 0.530 19235 1984 1 3 . 1 1 95 95 THR HA H 95 4.889 4.889 4.899 -0.010 19235 1985 1 3 . 1 1 95 95 THR C C 95 175.599 175.599 173.511 2.088 19235 1986 1 3 . 1 1 95 95 THR CA C 95 61.633 61.633 61.777 -0.144 19235 1987 1 3 . 1 1 95 95 THR CB C 95 70.071 70.071 70.846 -0.775 19235 1988 1 3 . 1 1 95 95 THR H H 95 8.975 8.975 8.700 0.275 19235 1989 1 3 . 1 1 96 96 PHE N N 96 125.360 125.360 125.838 -0.478 19235 1990 1 3 . 1 1 96 96 PHE HA H 96 4.732 4.732 5.012 -0.280 19235 1991 1 3 . 1 1 96 96 PHE C C 96 176.859 176.859 175.193 1.666 19235 1992 1 3 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.653 3.527 19235 1993 1 3 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.165 -0.071 19235 1994 1 3 . 1 1 96 96 PHE H H 96 9.499 9.499 9.332 0.167 19235 1995 1 3 . 1 1 97 97 VAL N N 97 122.027 122.027 124.170 -2.143 19235 1996 1 3 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.416 0.101 19235 1997 1 3 . 1 1 97 97 VAL C C 97 175.876 175.876 175.210 0.666 19235 1998 1 3 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.717 -0.354 19235 1999 1 3 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.867 -0.488 19235 2000 1 3 . 1 1 97 97 VAL H H 97 9.394 9.394 9.276 0.118 19235 2001 1 3 . 1 1 98 98 ARG N N 98 126.680 126.680 127.322 -0.642 19235 2002 1 3 . 1 1 98 98 ARG HA H 98 4.191 4.191 5.062 -0.871 19235 2003 1 3 . 1 1 98 98 ARG C C 98 176.185 176.185 174.771 1.414 19235 2004 1 3 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.781 0.020 19235 2005 1 3 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.975 -2.475 19235 2006 1 3 . 1 1 98 98 ARG H H 98 9.245 9.245 9.281 -0.036 19235 2007 1 3 . 1 1 99 99 PHE N N 99 131.125 131.125 128.270 2.855 19235 2008 1 3 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.141 -0.269 19235 2009 1 3 . 1 1 99 99 PHE C C 99 174.793 174.793 173.703 1.090 19235 2010 1 3 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.987 -0.260 19235 2011 1 3 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.346 0.225 19235 2012 1 3 . 1 1 99 99 PHE H H 99 8.723 8.723 9.263 -0.540 19235 2013 1 3 . 1 1 100 100 THR N N 100 124.512 124.512 125.634 -1.122 19235 2014 1 3 . 1 1 100 100 THR HA H 100 5.062 5.062 5.073 -0.011 19235 2015 1 3 . 1 1 100 100 THR C C 100 173.105 173.105 172.049 1.056 19235 2016 1 3 . 1 1 100 100 THR CA C 100 59.971 59.971 60.571 -0.600 19235 2017 1 3 . 1 1 100 100 THR CB C 100 71.127 71.127 70.712 0.415 19235 2018 1 3 . 1 1 100 100 THR H H 100 8.020 8.020 8.065 -0.045 19235 2019 1 3 . 1 1 101 101 HIS N N 101 127.719 127.719 127.584 0.135 19235 2020 1 3 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.267 -0.224 19235 2021 1 3 . 1 1 101 101 HIS C C 101 176.440 176.440 174.255 2.185 19235 2022 1 3 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.460 -0.555 19235 2023 1 3 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.081 0.254 19235 2024 1 3 . 1 1 101 101 HIS H H 101 8.714 8.714 8.399 0.315 19235 2025 1 3 . 1 1 102 102 SER N N 102 121.048 121.048 123.749 -2.701 19235 2026 1 3 . 1 1 102 102 SER HA H 102 5.023 5.023 4.990 0.033 19235 2027 1 3 . 1 1 102 102 SER C C 102 175.564 175.564 174.167 1.397 19235 2028 1 3 . 1 1 102 102 SER CA C 102 57.264 57.264 57.002 0.262 19235 2029 1 3 . 1 1 102 102 SER CB C 102 66.564 66.564 65.591 0.973 19235 2030 1 3 . 1 1 102 102 SER H H 102 9.804 9.804 8.883 0.921 19235 2031 1 3 . 1 1 103 103 ASN N N 103 110.931 110.931 114.778 -3.847 19235 2032 1 3 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.400 -0.008 19235 2033 1 3 . 1 1 103 103 ASN C C 103 176.631 176.631 173.778 2.853 19235 2034 1 3 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.357 0.029 19235 2035 1 3 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.546 -0.013 19235 2036 1 3 . 1 1 103 103 ASN H H 103 8.304 8.304 8.681 -0.377 19235 2037 1 3 . 1 1 104 104 TRP N N 104 119.944 119.944 118.592 1.352 19235 2038 1 3 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.795 -0.513 19235 2039 1 3 . 1 1 104 104 TRP C C 104 179.325 179.325 176.649 2.676 19235 2040 1 3 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.087 2.229 19235 2041 1 3 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.870 -3.147 19235 2042 1 3 . 1 1 104 104 TRP H H 104 8.669 8.669 8.435 0.234 19235 2043 1 3 . 1 1 105 105 HIS N N 105 121.315 121.315 121.763 -0.448 19235 2044 1 3 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.313 0.153 19235 2045 1 3 . 1 1 105 105 HIS C C 105 176.866 176.866 175.082 1.784 19235 2046 1 3 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.601 0.825 19235 2047 1 3 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.850 0.168 19235 2048 1 3 . 1 1 105 105 HIS H H 105 8.919 8.919 8.946 -0.027 19235 2049 1 3 . 1 1 106 106 GLU N N 106 112.392 112.392 114.562 -2.170 19235 2050 1 3 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.439 0.090 19235 2051 1 3 . 1 1 106 106 GLU C C 106 175.482 175.482 175.373 0.109 19235 2052 1 3 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.400 -1.054 19235 2053 1 3 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.474 0.842 19235 2054 1 3 . 1 1 106 106 GLU H H 106 7.800 7.800 7.870 -0.070 19235 2055 1 3 . 1 1 107 107 THR N N 107 117.872 117.872 113.093 4.779 19235 2056 1 3 . 1 1 107 107 THR HA H 107 4.261 4.261 4.157 0.104 19235 2057 1 3 . 1 1 107 107 THR C C 107 175.517 175.517 174.382 1.135 19235 2058 1 3 . 1 1 107 107 THR CA C 107 63.456 63.456 62.176 1.280 19235 2059 1 3 . 1 1 107 107 THR CB C 107 68.072 68.072 67.589 0.483 19235 2060 1 3 . 1 1 107 107 THR H H 107 8.668 8.668 8.366 0.302 19235 2061 1 3 . 1 1 108 108 THR N N 108 116.177 116.177 117.433 -1.256 19235 2062 1 3 . 1 1 108 108 THR HA H 108 4.720 4.720 4.402 0.318 19235 2063 1 3 . 1 1 108 108 THR C C 108 176.376 176.376 175.273 1.103 19235 2064 1 3 . 1 1 108 108 THR CA C 108 59.356 59.356 59.741 -0.385 19235 2065 1 3 . 1 1 108 108 THR CB C 108 73.275 73.275 70.676 2.599 19235 2066 1 3 . 1 1 108 108 THR H H 108 6.802 6.802 7.943 -1.141 19235 2067 1 3 . 1 1 109 109 ASP C C 109 179.100 179.100 177.972 1.128 19235 2068 1 3 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.769 0.691 19235 2069 1 3 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.122 0.046 19235 2070 1 3 . 1 1 110 110 PHE N N 110 119.151 119.151 117.692 1.459 19235 2071 1 3 . 1 1 110 110 PHE HA H 110 4.551 4.551 4.569 -0.018 19235 2072 1 3 . 1 1 110 110 PHE C C 110 179.054 179.054 177.750 1.304 19235 2073 1 3 . 1 1 110 110 PHE CA C 110 60.711 60.711 59.389 1.322 19235 2074 1 3 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.229 0.198 19235 2075 1 3 . 1 1 110 110 PHE H H 110 8.463 8.463 7.505 0.958 19235 2076 1 3 . 1 1 111 111 MET N N 111 122.801 122.801 118.482 4.319 19235 2077 1 3 . 1 1 111 111 MET HA H 111 3.061 3.061 3.383 -0.322 19235 2078 1 3 . 1 1 111 111 MET C C 111 178.661 178.661 178.213 0.448 19235 2079 1 3 . 1 1 111 111 MET CA C 111 59.888 59.888 57.253 2.635 19235 2080 1 3 . 1 1 111 111 MET CB C 111 31.587 31.587 31.163 0.424 19235 2081 1 3 . 1 1 111 111 MET H H 111 8.261 8.261 7.431 0.830 19235 2082 1 3 . 1 1 112 112 ALA N N 112 121.236 121.236 122.366 -1.130 19235 2083 1 3 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.899 -0.062 19235 2084 1 3 . 1 1 112 112 ALA C C 112 179.201 179.201 179.581 -0.380 19235 2085 1 3 . 1 1 112 112 ALA CA C 112 54.789 54.789 55.115 -0.326 19235 2086 1 3 . 1 1 112 112 ALA CB C 112 18.163 18.163 18.217 -0.054 19235 2087 1 3 . 1 1 112 112 ALA H H 112 7.744 7.744 7.771 -0.027 19235 2088 1 3 . 1 1 113 113 HIS N N 113 116.411 116.411 118.082 -1.671 19235 2089 1 3 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.277 0.056 19235 2090 1 3 . 1 1 113 113 HIS C C 113 178.145 178.145 177.667 0.478 19235 2091 1 3 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.763 1.438 19235 2092 1 3 . 1 1 113 113 HIS CB C 113 29.841 29.841 30.192 -0.351 19235 2093 1 3 . 1 1 113 113 HIS H H 113 8.275 8.275 8.310 -0.035 19235 2094 1 3 . 1 1 114 114 CYS N N 114 114.740 114.740 118.276 -3.536 19235 2095 1 3 . 1 1 114 114 CYS HA H 114 3.961 3.961 4.351 -0.390 19235 2096 1 3 . 1 1 114 114 CYS C C 114 177.431 177.431 176.725 0.706 19235 2097 1 3 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.767 -0.276 19235 2098 1 3 . 1 1 114 114 CYS CB C 114 26.608 26.608 27.963 -1.355 19235 2099 1 3 . 1 1 114 114 CYS H H 114 8.456 8.456 8.588 -0.132 19235 2100 1 3 . 1 1 115 115 ASN N N 115 120.985 120.985 117.755 3.230 19235 2101 1 3 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.484 0.225 19235 2102 1 3 . 1 1 115 115 ASN C C 115 179.521 179.521 177.662 1.859 19235 2103 1 3 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.308 1.778 19235 2104 1 3 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.242 0.677 19235 2105 1 3 . 1 1 115 115 ASN H H 115 8.983 8.983 8.459 0.524 19235 2106 1 3 . 1 1 116 116 THR N N 116 119.651 119.651 117.585 2.066 19235 2107 1 3 . 1 1 116 116 THR HA H 116 4.227 4.227 3.837 0.390 19235 2108 1 3 . 1 1 116 116 THR C C 116 177.405 177.405 176.310 1.095 19235 2109 1 3 . 1 1 116 116 THR CA C 116 67.150 67.150 67.138 0.012 19235 2110 1 3 . 1 1 116 116 THR CB C 116 68.365 68.365 68.767 -0.402 19235 2111 1 3 . 1 1 116 116 THR H H 116 8.704 8.704 8.194 0.510 19235 2112 1 3 . 1 1 117 117 LYS N N 117 121.343 121.343 121.621 -0.278 19235 2113 1 3 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.499 0.781 19235 2114 1 3 . 1 1 117 117 LYS C C 117 180.250 180.250 178.271 1.979 19235 2115 1 3 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.233 -2.131 19235 2116 1 3 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.927 -1.441 19235 2117 1 3 . 1 1 117 117 LYS H H 117 9.148 9.148 7.883 1.265 19235 2118 1 3 . 1 1 118 118 TRP N N 118 117.603 117.603 119.515 -1.912 19235 2119 1 3 . 1 1 118 118 TRP HA H 118 4.880 4.880 3.948 0.932 19235 2120 1 3 . 1 1 118 118 TRP C C 118 180.118 180.118 178.015 2.103 19235 2121 1 3 . 1 1 118 118 TRP CA C 118 59.768 59.768 60.111 -0.343 19235 2122 1 3 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.043 1.473 19235 2123 1 3 . 1 1 118 118 TRP H H 118 9.212 9.212 8.107 1.105 19235 2124 1 3 . 1 1 119 119 ALA N N 119 117.358 117.358 122.066 -4.708 19235 2125 1 3 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.554 -0.131 19235 2126 1 3 . 1 1 119 119 ALA C C 119 179.726 179.726 179.228 0.498 19235 2127 1 3 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.954 0.571 19235 2128 1 3 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.777 0.613 19235 2129 1 3 . 1 1 119 119 ALA H H 119 7.132 7.132 7.749 -0.617 19235 2130 1 3 . 1 1 120 120 VAL N N 120 112.004 112.004 118.676 -6.672 19235 2131 1 3 . 1 1 120 120 VAL H H 120 7.188 7.188 7.383 -0.195 19235 2132 1 3 . 1 1 121 121 PHE HA H 121 5.065 5.065 3.885 1.180 19235 2133 1 3 . 1 1 121 121 PHE C C 121 178.810 178.810 177.823 0.987 19235 2134 1 3 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.262 2.404 19235 2135 1 3 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.140 0.663 19235 2136 1 3 . 1 1 122 122 LEU N N 122 121.854 121.854 119.617 2.237 19235 2137 1 3 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.784 0.217 19235 2138 1 3 . 1 1 122 122 LEU C C 122 180.149 180.149 178.683 1.466 19235 2139 1 3 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.740 -0.161 19235 2140 1 3 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.644 -1.970 19235 2141 1 3 . 1 1 122 122 LEU H H 122 8.598 8.598 7.952 0.646 19235 2142 1 3 . 1 1 123 123 LEU N N 123 120.284 120.284 119.303 0.981 19235 2143 1 3 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.741 0.269 19235 2144 1 3 . 1 1 123 123 LEU C C 123 179.701 179.701 179.041 0.660 19235 2145 1 3 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.438 -0.547 19235 2146 1 3 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.181 -0.947 19235 2147 1 3 . 1 1 123 123 LEU H H 123 8.154 8.154 8.202 -0.048 19235 2148 1 3 . 1 1 124 124 SER N N 124 113.478 113.478 114.706 -1.228 19235 2149 1 3 . 1 1 124 124 SER HA H 124 4.586 4.586 4.204 0.382 19235 2150 1 3 . 1 1 124 124 SER C C 124 177.749 177.749 176.655 1.094 19235 2151 1 3 . 1 1 124 124 SER CA C 124 60.660 60.660 61.611 -0.951 19235 2152 1 3 . 1 1 124 124 SER CB C 124 62.601 62.601 63.193 -0.592 19235 2153 1 3 . 1 1 124 124 SER H H 124 7.537 7.537 7.931 -0.394 19235 2154 1 3 . 1 1 125 125 LEU N N 125 120.955 120.955 122.707 -1.752 19235 2155 1 3 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.558 0.108 19235 2156 1 3 . 1 1 125 125 LEU C C 125 177.940 177.940 177.935 0.005 19235 2157 1 3 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.437 1.085 19235 2158 1 3 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.405 -1.682 19235 2159 1 3 . 1 1 125 125 LEU H H 125 8.021 8.021 7.532 0.489 19235 2160 1 3 . 1 1 126 126 LYS N N 126 118.428 118.428 118.899 -0.471 19235 2161 1 3 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.959 0.612 19235 2162 1 3 . 1 1 126 126 LYS C C 126 178.885 178.885 178.311 0.574 19235 2163 1 3 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.799 0.367 19235 2164 1 3 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.346 0.750 19235 2165 1 3 . 1 1 126 126 LYS H H 126 7.899 7.899 7.925 -0.026 19235 2166 1 3 . 1 1 127 127 ASP N N 127 119.536 119.536 119.619 -0.083 19235 2167 1 3 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.555 -0.022 19235 2168 1 3 . 1 1 127 127 ASP C C 127 180.864 180.864 178.458 2.406 19235 2169 1 3 . 1 1 127 127 ASP CA C 127 57.746 57.746 56.830 0.916 19235 2170 1 3 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.515 -0.679 19235 2171 1 3 . 1 1 127 127 ASP H H 127 8.620 8.620 7.987 0.633 19235 2172 1 3 . 1 1 128 128 ALA N N 128 123.280 123.280 122.541 0.739 19235 2173 1 3 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.221 -0.494 19235 2174 1 3 . 1 1 128 128 ALA C C 128 181.336 181.336 179.438 1.898 19235 2175 1 3 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.479 0.041 19235 2176 1 3 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.717 -1.569 19235 2177 1 3 . 1 1 128 128 ALA H H 128 9.439 9.439 8.469 0.970 19235 2178 1 3 . 1 1 129 129 LEU N N 129 115.298 115.298 116.877 -1.579 19235 2179 1 3 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.179 0.026 19235 2180 1 3 . 1 1 129 129 LEU C C 129 179.484 179.484 178.858 0.626 19235 2181 1 3 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.285 -1.633 19235 2182 1 3 . 1 1 129 129 LEU CB C 129 41.519 41.519 42.126 -0.607 19235 2183 1 3 . 1 1 129 129 LEU H H 129 7.664 7.664 7.329 0.335 19235 2184 1 3 . 1 1 130 130 GLU N N 130 117.821 117.821 117.768 0.053 19235 2185 1 3 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.180 0.118 19235 2186 1 3 . 1 1 130 130 GLU C C 130 179.567 179.567 178.205 1.362 19235 2187 1 3 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.718 0.166 19235 2188 1 3 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.341 0.460 19235 2189 1 3 . 1 1 130 130 GLU H H 130 8.605 8.605 7.972 0.633 19235 2190 1 3 . 1 1 131 131 ILE N N 131 112.140 112.140 116.501 -4.361 19235 2191 1 3 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.198 0.516 19235 2192 1 3 . 1 1 131 131 ILE C C 131 178.233 178.233 177.186 1.047 19235 2193 1 3 . 1 1 131 131 ILE CA C 131 60.993 60.993 62.398 -1.405 19235 2194 1 3 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.977 -0.401 19235 2195 1 3 . 1 1 131 131 ILE H H 131 8.552 8.552 7.910 0.642 19235 2196 1 3 . 1 1 132 132 GLY N N 132 108.998 108.998 107.255 1.743 19235 2197 1 3 . 1 1 132 132 GLY C C 132 174.957 174.957 173.129 1.828 19235 2198 1 3 . 1 1 132 132 GLY CA C 132 46.079 46.079 44.696 1.383 19235 2199 1 3 . 1 1 132 132 GLY H H 132 7.269 7.269 8.329 -1.060 19235 2200 1 3 . 1 1 133 133 LYS N N 133 120.920 120.920 121.502 -0.582 19235 2201 1 3 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.656 -0.004 19235 2202 1 3 . 1 1 133 133 LYS C C 133 175.857 175.857 175.445 0.412 19235 2203 1 3 . 1 1 133 133 LYS CA C 133 55.761 55.761 55.554 0.207 19235 2204 1 3 . 1 1 133 133 LYS CB C 133 33.965 33.965 34.298 -0.333 19235 2205 1 3 . 1 1 133 133 LYS H H 133 7.024 7.024 7.671 -0.647 19235 2206 1 4 . 1 1 2 2 VAL N N 2 117.791 117.791 122.617 -4.826 19235 2207 1 4 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.383 0.063 19235 2208 1 4 . 1 1 2 2 VAL C C 2 174.276 174.276 174.389 -0.113 19235 2209 1 4 . 1 1 2 2 VAL CA C 2 60.702 60.702 62.084 -1.382 19235 2210 1 4 . 1 1 2 2 VAL CB C 2 35.163 35.163 32.897 2.267 19235 2211 1 4 . 1 1 2 2 VAL H H 2 8.851 8.851 8.624 0.227 19235 2212 1 4 . 1 1 3 3 ASN N N 3 117.814 117.814 122.751 -4.937 19235 2213 1 4 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.617 -0.166 19235 2214 1 4 . 1 1 3 3 ASN C C 3 175.197 175.197 174.279 0.918 19235 2215 1 4 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.737 -0.279 19235 2216 1 4 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.990 -0.810 19235 2217 1 4 . 1 1 3 3 ASN H H 3 8.262 8.262 8.511 -0.249 19235 2218 1 4 . 1 1 4 4 ILE N N 4 121.231 121.231 120.783 0.448 19235 2219 1 4 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.248 -0.286 19235 2220 1 4 . 1 1 4 4 ILE C C 4 175.278 175.278 174.831 0.447 19235 2221 1 4 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.325 0.686 19235 2222 1 4 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.439 -0.102 19235 2223 1 4 . 1 1 4 4 ILE H H 4 8.533 8.533 8.889 -0.356 19235 2224 1 4 . 1 1 5 5 ASN N N 5 125.228 125.228 126.007 -0.779 19235 2225 1 4 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.413 0.153 19235 2226 1 4 . 1 1 5 5 ASN C C 5 174.061 174.061 174.083 -0.022 19235 2227 1 4 . 1 1 5 5 ASN CA C 5 52.660 52.660 51.857 0.803 19235 2228 1 4 . 1 1 5 5 ASN CB C 5 41.661 41.661 40.471 1.190 19235 2229 1 4 . 1 1 5 5 ASN H H 5 8.109 8.109 8.638 -0.529 19235 2230 1 4 . 1 1 6 6 HIS N N 6 120.724 120.724 122.932 -2.208 19235 2231 1 4 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.979 0.306 19235 2232 1 4 . 1 1 6 6 HIS C C 6 177.102 177.102 173.853 3.249 19235 2233 1 4 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.224 0.402 19235 2234 1 4 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.409 5.155 19235 2235 1 4 . 1 1 6 6 HIS H H 6 9.450 9.450 9.216 0.234 19235 2236 1 4 . 1 1 7 7 ARG N N 7 124.674 124.674 121.714 2.960 19235 2237 1 4 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.243 -0.404 19235 2238 1 4 . 1 1 7 7 ARG C C 7 174.633 174.633 174.903 -0.270 19235 2239 1 4 . 1 1 7 7 ARG CA C 7 56.600 56.600 55.156 1.444 19235 2240 1 4 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.755 -0.173 19235 2241 1 4 . 1 1 7 7 ARG H H 7 8.973 8.973 8.766 0.207 19235 2242 1 4 . 1 1 8 8 ILE N N 8 120.886 120.886 122.892 -2.006 19235 2243 1 4 . 1 1 8 8 ILE H H 8 8.405 8.405 8.560 -0.155 19235 2244 1 4 . 1 1 10 10 ILE N N 10 120.117 120.117 122.971 -2.854 19235 2245 1 4 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.394 -0.711 19235 2246 1 4 . 1 1 10 10 ILE C C 10 177.081 177.081 175.135 1.946 19235 2247 1 4 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.304 -0.501 19235 2248 1 4 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.689 -0.914 19235 2249 1 4 . 1 1 10 10 ILE H H 10 8.604 8.604 8.675 -0.071 19235 2250 1 4 . 1 1 11 11 LYS N N 11 133.535 133.535 127.627 5.908 19235 2251 1 4 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.289 0.202 19235 2252 1 4 . 1 1 11 11 LYS C C 11 174.943 174.943 174.928 0.015 19235 2253 1 4 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.283 -1.179 19235 2254 1 4 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.601 -1.520 19235 2255 1 4 . 1 1 11 11 LYS H H 11 10.550 10.550 9.012 1.538 19235 2256 1 4 . 1 1 12 12 ALA N N 12 123.135 123.135 122.484 0.651 19235 2257 1 4 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.657 -0.136 19235 2258 1 4 . 1 1 12 12 ALA C C 12 176.178 176.178 175.461 0.717 19235 2259 1 4 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.182 -0.418 19235 2260 1 4 . 1 1 12 12 ALA CB C 12 22.027 22.027 21.912 0.115 19235 2261 1 4 . 1 1 12 12 ALA H H 12 7.933 7.933 8.088 -0.155 19235 2262 1 4 . 1 1 13 13 SER N N 13 116.710 116.710 116.474 0.236 19235 2263 1 4 . 1 1 13 13 SER HA H 13 4.588 4.588 4.581 0.007 19235 2264 1 4 . 1 1 13 13 SER C C 13 174.197 174.197 174.776 -0.579 19235 2265 1 4 . 1 1 13 13 SER CA C 13 56.147 56.147 56.331 -0.184 19235 2266 1 4 . 1 1 13 13 SER CB C 13 62.656 62.656 63.821 -1.165 19235 2267 1 4 . 1 1 13 13 SER H H 13 8.492 8.492 8.540 -0.048 19235 2268 1 4 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.266 -0.214 19235 2269 1 4 . 1 1 14 14 PRO C C 14 178.833 178.833 178.552 0.281 19235 2270 1 4 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.053 0.494 19235 2271 1 4 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.882 -0.573 19235 2272 1 4 . 1 1 15 15 GLU N N 15 116.821 116.821 119.718 -2.897 19235 2273 1 4 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.418 -0.150 19235 2274 1 4 . 1 1 15 15 GLU C C 15 180.574 180.574 179.039 1.535 19235 2275 1 4 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.629 0.036 19235 2276 1 4 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.044 -0.440 19235 2277 1 4 . 1 1 15 15 GLU H H 15 8.821 8.821 8.572 0.249 19235 2278 1 4 . 1 1 16 16 LYS N N 16 120.446 120.446 119.966 0.480 19235 2279 1 4 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.114 -0.083 19235 2280 1 4 . 1 1 16 16 LYS C C 16 181.277 181.277 179.240 2.037 19235 2281 1 4 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.581 -0.850 19235 2282 1 4 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.613 -0.696 19235 2283 1 4 . 1 1 16 16 LYS H H 16 7.634 7.634 7.856 -0.222 19235 2284 1 4 . 1 1 17 17 ILE N N 17 120.100 120.100 120.053 0.047 19235 2285 1 4 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.585 -0.155 19235 2286 1 4 . 1 1 17 17 ILE C C 17 177.873 177.873 177.545 0.328 19235 2287 1 4 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.201 -0.152 19235 2288 1 4 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.115 -0.546 19235 2289 1 4 . 1 1 17 17 ILE H H 17 7.797 7.797 7.943 -0.146 19235 2290 1 4 . 1 1 18 18 TYR N N 18 119.139 119.139 120.143 -1.004 19235 2291 1 4 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.826 -0.063 19235 2292 1 4 . 1 1 18 18 TYR C C 18 181.847 181.847 177.735 4.112 19235 2293 1 4 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.087 0.589 19235 2294 1 4 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.284 0.922 19235 2295 1 4 . 1 1 18 18 TYR H H 18 9.072 9.072 8.086 0.986 19235 2296 1 4 . 1 1 19 19 GLN N N 19 120.579 120.579 117.806 2.773 19235 2297 1 4 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.824 0.051 19235 2298 1 4 . 1 1 19 19 GLN C C 19 178.871 178.871 178.741 0.130 19235 2299 1 4 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.627 0.980 19235 2300 1 4 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.851 -0.669 19235 2301 1 4 . 1 1 19 19 GLN H H 19 8.330 8.330 8.253 0.077 19235 2302 1 4 . 1 1 20 20 ALA N N 20 121.903 121.903 121.708 0.195 19235 2303 1 4 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.244 -0.118 19235 2304 1 4 . 1 1 20 20 ALA C C 20 177.058 177.058 178.977 -1.919 19235 2305 1 4 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.997 -0.927 19235 2306 1 4 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.537 -0.599 19235 2307 1 4 . 1 1 20 20 ALA H H 20 7.451 7.451 8.001 -0.550 19235 2308 1 4 . 1 1 21 21 LEU N N 21 112.471 112.471 113.124 -0.653 19235 2309 1 4 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.403 -0.582 19235 2310 1 4 . 1 1 21 21 LEU C C 21 178.910 178.910 177.780 1.130 19235 2311 1 4 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.780 -1.278 19235 2312 1 4 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.275 1.936 19235 2313 1 4 . 1 1 21 21 LEU H H 21 7.061 7.061 7.308 -0.247 19235 2314 1 4 . 1 1 22 22 THR N N 22 100.722 100.722 106.835 -6.113 19235 2315 1 4 . 1 1 22 22 THR HA H 22 4.558 4.558 4.539 0.019 19235 2316 1 4 . 1 1 22 22 THR C C 22 175.792 175.792 174.847 0.945 19235 2317 1 4 . 1 1 22 22 THR CA C 22 61.081 61.081 61.371 -0.290 19235 2318 1 4 . 1 1 22 22 THR CB C 22 71.747 71.747 70.195 1.552 19235 2319 1 4 . 1 1 22 22 THR H H 22 7.069 7.069 7.389 -0.320 19235 2320 1 4 . 1 1 23 23 THR N N 23 109.777 109.777 112.596 -2.819 19235 2321 1 4 . 1 1 23 23 THR HA H 23 4.893 4.893 4.695 0.198 19235 2322 1 4 . 1 1 23 23 THR C C 23 174.449 174.449 174.459 -0.010 19235 2323 1 4 . 1 1 23 23 THR CA C 23 58.343 58.343 59.209 -0.866 19235 2324 1 4 . 1 1 23 23 THR CB C 23 72.836 72.836 72.280 0.556 19235 2325 1 4 . 1 1 23 23 THR H H 23 7.308 7.308 7.641 -0.333 19235 2326 1 4 . 1 1 24 24 ASP N N 24 126.109 126.109 123.692 2.417 19235 2327 1 4 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.358 -0.122 19235 2328 1 4 . 1 1 24 24 ASP C C 24 179.062 179.062 177.814 1.248 19235 2329 1 4 . 1 1 24 24 ASP CA C 24 58.272 58.272 58.262 0.010 19235 2330 1 4 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.107 -0.325 19235 2331 1 4 . 1 1 24 24 ASP H H 24 9.248 9.248 9.006 0.242 19235 2332 1 4 . 1 1 25 25 ASP N N 25 114.688 114.688 117.538 -2.850 19235 2333 1 4 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.425 -0.155 19235 2334 1 4 . 1 1 25 25 ASP C C 25 179.453 179.453 178.060 1.393 19235 2335 1 4 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.659 0.446 19235 2336 1 4 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.107 0.297 19235 2337 1 4 . 1 1 25 25 ASP H H 25 8.640 8.640 8.525 0.115 19235 2338 1 4 . 1 1 26 26 GLY N N 26 108.020 108.020 106.364 1.656 19235 2339 1 4 . 1 1 26 26 GLY C C 26 176.629 176.629 176.756 -0.127 19235 2340 1 4 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.343 1.069 19235 2341 1 4 . 1 1 26 26 GLY H H 26 7.756 7.756 7.739 0.017 19235 2342 1 4 . 1 1 27 27 LEU N N 27 124.486 124.486 123.348 1.138 19235 2343 1 4 . 1 1 27 27 LEU HA H 27 4.548 4.548 4.098 0.450 19235 2344 1 4 . 1 1 27 27 LEU C C 27 180.999 180.999 178.619 2.380 19235 2345 1 4 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.059 1.097 19235 2346 1 4 . 1 1 27 27 LEU CB C 27 44.308 44.308 42.014 2.294 19235 2347 1 4 . 1 1 27 27 LEU H H 27 8.401 8.401 8.298 0.103 19235 2348 1 4 . 1 1 28 28 LYS N N 28 118.482 118.482 116.970 1.512 19235 2349 1 4 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.389 -0.124 19235 2350 1 4 . 1 1 28 28 LYS C C 28 179.269 179.269 178.128 1.141 19235 2351 1 4 . 1 1 28 28 LYS CA C 28 56.947 56.947 57.827 -0.880 19235 2352 1 4 . 1 1 28 28 LYS CB C 28 33.645 33.645 31.989 1.656 19235 2353 1 4 . 1 1 28 28 LYS H H 28 7.864 7.864 7.940 -0.076 19235 2354 1 4 . 1 1 29 29 LYS N N 29 113.309 113.309 118.131 -4.822 19235 2355 1 4 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.203 -0.008 19235 2356 1 4 . 1 1 29 29 LYS C C 29 178.869 178.869 177.447 1.422 19235 2357 1 4 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.494 -0.668 19235 2358 1 4 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.324 -0.475 19235 2359 1 4 . 1 1 29 29 LYS H H 29 7.666 7.666 7.640 0.026 19235 2360 1 4 . 1 1 30 30 TRP N N 30 108.469 108.469 116.151 -7.682 19235 2361 1 4 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.945 0.315 19235 2362 1 4 . 1 1 30 30 TRP C C 30 176.975 176.975 175.604 1.371 19235 2363 1 4 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.497 -0.905 19235 2364 1 4 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.850 1.598 19235 2365 1 4 . 1 1 30 30 TRP H H 30 7.427 7.427 7.200 0.227 19235 2366 1 4 . 1 1 31 31 TRP N N 31 124.489 124.489 122.013 2.476 19235 2367 1 4 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.244 0.987 19235 2368 1 4 . 1 1 31 31 TRP C C 31 175.907 175.907 175.898 0.009 19235 2369 1 4 . 1 1 31 31 TRP CA C 31 56.687 56.687 58.480 -1.794 19235 2370 1 4 . 1 1 31 31 TRP CB C 31 28.988 28.988 29.836 -0.848 19235 2371 1 4 . 1 1 31 31 TRP H H 31 7.525 7.525 7.312 0.213 19235 2372 1 4 . 1 1 32 32 THR N N 32 107.670 107.670 109.432 -1.762 19235 2373 1 4 . 1 1 32 32 THR HA H 32 5.064 5.064 4.455 0.609 19235 2374 1 4 . 1 1 32 32 THR C C 32 171.071 171.071 173.313 -2.242 19235 2375 1 4 . 1 1 32 32 THR CA C 32 57.486 57.486 60.658 -3.172 19235 2376 1 4 . 1 1 32 32 THR CB C 32 67.302 67.302 69.782 -2.480 19235 2377 1 4 . 1 1 32 32 THR H H 32 6.582 6.582 7.241 -0.659 19235 2378 1 4 . 1 1 33 33 ASN N N 33 118.705 118.705 118.541 0.164 19235 2379 1 4 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.559 0.156 19235 2380 1 4 . 1 1 33 33 ASN C C 33 176.424 176.424 175.064 1.360 19235 2381 1 4 . 1 1 33 33 ASN CA C 33 54.187 54.187 54.783 -0.596 19235 2382 1 4 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.750 -0.872 19235 2383 1 4 . 1 1 33 33 ASN H H 33 8.281 8.281 8.354 -0.073 19235 2384 1 4 . 1 1 34 34 ASP N N 34 121.174 121.174 120.963 0.211 19235 2385 1 4 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.739 -0.009 19235 2386 1 4 . 1 1 34 34 ASP C C 34 174.163 174.163 173.800 0.363 19235 2387 1 4 . 1 1 34 34 ASP CA C 34 52.699 52.699 52.725 -0.026 19235 2388 1 4 . 1 1 34 34 ASP CB C 34 40.440 40.440 40.580 -0.140 19235 2389 1 4 . 1 1 34 34 ASP H H 34 6.751 6.751 7.960 -1.209 19235 2390 1 4 . 1 1 35 35 ILE N N 35 120.932 120.932 125.038 -4.106 19235 2391 1 4 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.775 -0.212 19235 2392 1 4 . 1 1 35 35 ILE C C 35 175.512 175.512 173.907 1.605 19235 2393 1 4 . 1 1 35 35 ILE CA C 35 60.429 60.429 60.181 0.248 19235 2394 1 4 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.672 0.437 19235 2395 1 4 . 1 1 35 35 ILE H H 35 6.805 6.805 7.686 -0.880 19235 2396 1 4 . 1 1 36 36 SER N N 36 117.993 117.993 118.904 -0.911 19235 2397 1 4 . 1 1 36 36 SER HA H 36 4.600 4.600 4.945 -0.345 19235 2398 1 4 . 1 1 36 36 SER C C 36 174.509 174.509 173.238 1.271 19235 2399 1 4 . 1 1 36 36 SER CA C 36 56.936 56.936 57.303 -0.367 19235 2400 1 4 . 1 1 36 36 SER CB C 36 65.556 65.556 64.475 1.081 19235 2401 1 4 . 1 1 36 36 SER H H 36 7.508 7.508 8.266 -0.758 19235 2402 1 4 . 1 1 37 37 GLY N N 37 112.153 112.153 113.687 -1.534 19235 2403 1 4 . 1 1 37 37 GLY C C 37 175.786 175.786 173.200 2.586 19235 2404 1 4 . 1 1 37 37 GLY CA C 37 44.868 44.868 44.890 -0.022 19235 2405 1 4 . 1 1 37 37 GLY H H 37 8.914 8.914 9.106 -0.192 19235 2406 1 4 . 1 1 38 38 ALA N N 38 125.303 125.303 124.604 0.699 19235 2407 1 4 . 1 1 38 38 ALA HA H 38 3.649 3.649 4.317 -0.668 19235 2408 1 4 . 1 1 38 38 ALA C C 38 179.569 179.569 176.709 2.860 19235 2409 1 4 . 1 1 38 38 ALA CA C 38 54.299 54.299 53.297 1.002 19235 2410 1 4 . 1 1 38 38 ALA CB C 38 17.266 17.266 19.313 -2.047 19235 2411 1 4 . 1 1 38 38 ALA H H 38 10.037 10.037 8.377 1.660 19235 2412 1 4 . 1 1 39 39 GLY N N 39 110.076 110.076 110.779 -0.703 19235 2413 1 4 . 1 1 39 39 GLY C C 39 175.023 175.023 173.826 1.197 19235 2414 1 4 . 1 1 39 39 GLY CA C 39 45.930 45.930 45.282 0.648 19235 2415 1 4 . 1 1 39 39 GLY H H 39 6.982 6.982 8.130 -1.148 19235 2416 1 4 . 1 1 40 40 VAL N N 40 114.196 114.196 116.699 -2.503 19235 2417 1 4 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.701 -0.417 19235 2418 1 4 . 1 1 40 40 VAL C C 40 177.795 177.795 174.999 2.796 19235 2419 1 4 . 1 1 40 40 VAL CA C 40 61.133 61.133 58.797 2.336 19235 2420 1 4 . 1 1 40 40 VAL CB C 40 32.878 32.878 35.067 -2.189 19235 2421 1 4 . 1 1 40 40 VAL H H 40 7.857 7.857 7.976 -0.119 19235 2422 1 4 . 1 1 41 41 VAL N N 41 120.950 120.950 120.775 0.175 19235 2423 1 4 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.790 -0.222 19235 2424 1 4 . 1 1 41 41 VAL C C 41 177.788 177.788 177.169 0.619 19235 2425 1 4 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.659 1.537 19235 2426 1 4 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.273 -0.086 19235 2427 1 4 . 1 1 41 41 VAL H H 41 8.469 8.469 8.344 0.125 19235 2428 1 4 . 1 1 42 42 GLY N N 42 116.155 116.155 115.888 0.267 19235 2429 1 4 . 1 1 42 42 GLY C C 42 176.032 176.032 174.852 1.180 19235 2430 1 4 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.785 -0.393 19235 2431 1 4 . 1 1 42 42 GLY H H 42 9.266 9.266 9.049 0.217 19235 2432 1 4 . 1 1 43 43 SER N N 43 118.352 118.352 118.331 0.021 19235 2433 1 4 . 1 1 43 43 SER HA H 43 4.385 4.385 4.568 -0.183 19235 2434 1 4 . 1 1 43 43 SER C C 43 173.302 173.302 173.890 -0.588 19235 2435 1 4 . 1 1 43 43 SER CA C 43 59.910 59.910 60.099 -0.189 19235 2436 1 4 . 1 1 43 43 SER CB C 43 63.931 63.931 64.281 -0.350 19235 2437 1 4 . 1 1 43 43 SER H H 43 8.408 8.408 8.257 0.151 19235 2438 1 4 . 1 1 44 44 THR N N 44 118.418 118.418 118.853 -0.435 19235 2439 1 4 . 1 1 44 44 THR HA H 44 4.815 4.815 4.578 0.237 19235 2440 1 4 . 1 1 44 44 THR C C 44 173.450 173.450 173.713 -0.263 19235 2441 1 4 . 1 1 44 44 THR CA C 44 62.444 62.444 61.586 0.858 19235 2442 1 4 . 1 1 44 44 THR CB C 44 69.663 69.663 70.236 -0.573 19235 2443 1 4 . 1 1 44 44 THR H H 44 8.386 8.386 8.491 -0.105 19235 2444 1 4 . 1 1 45 45 ILE N N 45 127.861 127.861 128.149 -0.288 19235 2445 1 4 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.177 -0.339 19235 2446 1 4 . 1 1 45 45 ILE C C 45 176.164 176.164 174.648 1.516 19235 2447 1 4 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.875 -0.452 19235 2448 1 4 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.913 -1.380 19235 2449 1 4 . 1 1 45 45 ILE H H 45 9.423 9.423 9.067 0.356 19235 2450 1 4 . 1 1 46 46 LYS N N 46 125.403 125.403 128.813 -3.410 19235 2451 1 4 . 1 1 46 46 LYS HA H 46 4.523 4.523 4.864 -0.341 19235 2452 1 4 . 1 1 46 46 LYS C C 46 176.574 176.574 174.884 1.690 19235 2453 1 4 . 1 1 46 46 LYS CA C 46 55.626 55.626 55.422 0.204 19235 2454 1 4 . 1 1 46 46 LYS CB C 46 31.949 31.949 34.516 -2.567 19235 2455 1 4 . 1 1 46 46 LYS H H 46 8.388 8.388 8.880 -0.492 19235 2456 1 4 . 1 1 47 47 PHE N N 47 124.081 124.081 128.240 -4.159 19235 2457 1 4 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.674 -0.273 19235 2458 1 4 . 1 1 47 47 PHE C C 47 177.107 177.107 173.744 3.363 19235 2459 1 4 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.142 1.012 19235 2460 1 4 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.916 -2.279 19235 2461 1 4 . 1 1 47 47 PHE H H 47 8.026 8.026 8.643 -0.617 19235 2462 1 4 . 1 1 48 48 ARG N N 48 121.376 121.376 127.998 -6.622 19235 2463 1 4 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.066 0.494 19235 2464 1 4 . 1 1 48 48 ARG C C 48 175.042 175.042 173.992 1.050 19235 2465 1 4 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.434 -3.853 19235 2466 1 4 . 1 1 48 48 ARG CB C 48 32.558 32.558 30.892 1.666 19235 2467 1 4 . 1 1 48 48 ARG H H 48 8.521 8.521 7.431 1.090 19235 2468 1 4 . 1 1 49 49 PHE N N 49 121.884 121.884 124.751 -2.867 19235 2469 1 4 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.574 -0.775 19235 2470 1 4 . 1 1 49 49 PHE C C 49 175.580 175.580 173.459 2.121 19235 2471 1 4 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.768 -1.462 19235 2472 1 4 . 1 1 49 49 PHE CB C 49 37.110 37.110 43.295 -6.185 19235 2473 1 4 . 1 1 49 49 PHE H H 49 8.649 8.649 8.242 0.407 19235 2474 1 4 . 1 1 50 50 ASN N N 50 121.994 121.994 125.301 -3.307 19235 2475 1 4 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.490 -0.078 19235 2476 1 4 . 1 1 50 50 ASN C C 50 177.277 177.277 175.019 2.258 19235 2477 1 4 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.165 0.152 19235 2478 1 4 . 1 1 50 50 ASN CB C 50 37.124 37.124 37.370 -0.245 19235 2479 1 4 . 1 1 50 50 ASN H H 50 9.296 9.296 8.342 0.954 19235 2480 1 4 . 1 1 51 51 GLY N N 51 103.211 103.211 111.720 -8.509 19235 2481 1 4 . 1 1 51 51 GLY C C 51 175.077 175.077 173.954 1.123 19235 2482 1 4 . 1 1 51 51 GLY CA C 51 45.628 45.628 44.811 0.817 19235 2483 1 4 . 1 1 51 51 GLY H H 51 8.532 8.532 8.118 0.414 19235 2484 1 4 . 1 1 52 52 GLY N N 52 106.323 106.323 109.081 -2.758 19235 2485 1 4 . 1 1 52 52 GLY C C 52 173.770 173.770 174.351 -0.581 19235 2486 1 4 . 1 1 52 52 GLY CA C 52 43.487 43.487 45.044 -1.557 19235 2487 1 4 . 1 1 52 52 GLY H H 52 7.215 7.215 7.980 -0.765 19235 2488 1 4 . 1 1 53 53 GLY N N 53 109.867 109.867 110.375 -0.508 19235 2489 1 4 . 1 1 53 53 GLY C C 53 169.984 169.984 173.682 -3.698 19235 2490 1 4 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.614 1.891 19235 2491 1 4 . 1 1 53 53 GLY H H 53 8.412 8.412 8.436 -0.024 19235 2492 1 4 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.395 0.968 19235 2493 1 4 . 1 1 54 54 PRO C C 54 175.960 175.960 175.221 0.739 19235 2494 1 4 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.329 0.306 19235 2495 1 4 . 1 1 54 54 PRO CB C 54 33.340 33.340 33.058 0.282 19235 2496 1 4 . 1 1 55 55 ASP N N 55 118.374 118.374 119.381 -1.007 19235 2497 1 4 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.491 0.287 19235 2498 1 4 . 1 1 55 55 ASP C C 55 176.144 176.144 174.839 1.305 19235 2499 1 4 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.181 -1.605 19235 2500 1 4 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.830 -3.359 19235 2501 1 4 . 1 1 55 55 ASP H H 55 6.732 6.732 7.791 -1.059 19235 2502 1 4 . 1 1 56 56 PHE N N 56 116.916 116.916 120.464 -3.548 19235 2503 1 4 . 1 1 56 56 PHE HA H 56 5.083 5.083 5.347 -0.264 19235 2504 1 4 . 1 1 56 56 PHE C C 56 175.088 175.088 175.287 -0.199 19235 2505 1 4 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.554 0.808 19235 2506 1 4 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.597 1.699 19235 2507 1 4 . 1 1 56 56 PHE H H 56 9.140 9.140 9.057 0.083 19235 2508 1 4 . 1 1 57 57 LYS N N 57 123.219 123.219 123.581 -0.362 19235 2509 1 4 . 1 1 57 57 LYS HA H 57 5.238 5.238 5.084 0.154 19235 2510 1 4 . 1 1 57 57 LYS C C 57 177.979 177.979 176.230 1.749 19235 2511 1 4 . 1 1 57 57 LYS CA C 57 54.310 54.310 54.971 -0.661 19235 2512 1 4 . 1 1 57 57 LYS CB C 57 33.930 33.930 35.218 -1.288 19235 2513 1 4 . 1 1 57 57 LYS H H 57 9.574 9.574 9.137 0.437 19235 2514 1 4 . 1 1 58 58 VAL N N 58 127.037 127.037 124.606 2.431 19235 2515 1 4 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.391 0.276 19235 2516 1 4 . 1 1 58 58 VAL C C 58 178.738 178.738 176.816 1.922 19235 2517 1 4 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.756 1.000 19235 2518 1 4 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.573 0.160 19235 2519 1 4 . 1 1 58 58 VAL H H 58 9.196 9.196 8.531 0.665 19235 2520 1 4 . 1 1 59 59 THR N N 59 120.775 120.775 120.239 0.536 19235 2521 1 4 . 1 1 59 59 THR HA H 59 4.716 4.716 4.479 0.237 19235 2522 1 4 . 1 1 59 59 THR C C 59 177.001 177.001 174.760 2.241 19235 2523 1 4 . 1 1 59 59 THR CA C 59 62.615 62.615 62.135 0.480 19235 2524 1 4 . 1 1 59 59 THR CB C 59 69.528 69.528 69.768 -0.240 19235 2525 1 4 . 1 1 59 59 THR H H 59 9.470 9.470 9.239 0.231 19235 2526 1 4 . 1 1 60 60 LYS N N 60 123.315 123.315 121.226 2.089 19235 2527 1 4 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.557 -0.125 19235 2528 1 4 . 1 1 60 60 LYS C C 60 174.225 174.225 173.846 0.379 19235 2529 1 4 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.602 1.317 19235 2530 1 4 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.408 -1.077 19235 2531 1 4 . 1 1 60 60 LYS H H 60 7.819 7.819 7.840 -0.021 19235 2532 1 4 . 1 1 61 61 LEU N N 61 125.573 125.573 126.580 -1.007 19235 2533 1 4 . 1 1 61 61 LEU HA H 61 5.215 5.215 4.791 0.424 19235 2534 1 4 . 1 1 61 61 LEU C C 61 177.508 177.508 174.782 2.726 19235 2535 1 4 . 1 1 61 61 LEU CA C 61 54.354 54.354 54.818 -0.464 19235 2536 1 4 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.420 0.349 19235 2537 1 4 . 1 1 61 61 LEU H H 61 8.354 8.354 8.580 -0.226 19235 2538 1 4 . 1 1 62 62 ILE N N 62 124.326 124.326 127.894 -3.568 19235 2539 1 4 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.631 0.140 19235 2540 1 4 . 1 1 62 62 ILE C C 62 175.200 175.200 173.706 1.494 19235 2541 1 4 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.681 1.275 19235 2542 1 4 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.140 -0.853 19235 2543 1 4 . 1 1 62 62 ILE H H 62 9.340 9.340 8.895 0.445 19235 2544 1 4 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.813 -0.525 19235 2545 1 4 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.561 0.306 19235 2546 1 4 . 1 1 64 64 ASN N N 64 113.559 113.559 116.805 -3.246 19235 2547 1 4 . 1 1 64 64 ASN HA H 64 3.455 3.455 4.060 -0.605 19235 2548 1 4 . 1 1 64 64 ASN C C 64 174.053 174.053 174.264 -0.211 19235 2549 1 4 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.312 1.060 19235 2550 1 4 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.916 -0.046 19235 2551 1 4 . 1 1 64 64 ASN H H 64 4.547 4.547 7.507 -2.960 19235 2552 1 4 . 1 1 65 65 LYS N N 65 116.786 116.786 117.171 -0.385 19235 2553 1 4 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.436 0.377 19235 2554 1 4 . 1 1 65 65 LYS C C 65 176.349 176.349 174.348 2.001 19235 2555 1 4 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.376 1.653 19235 2556 1 4 . 1 1 65 65 LYS CB C 65 36.436 36.436 34.519 1.917 19235 2557 1 4 . 1 1 65 65 LYS H H 65 8.222 8.222 7.873 0.349 19235 2558 1 4 . 1 1 66 66 THR N N 66 114.184 114.184 117.282 -3.098 19235 2559 1 4 . 1 1 66 66 THR HA H 66 5.462 5.462 5.473 -0.011 19235 2560 1 4 . 1 1 66 66 THR C C 66 173.770 173.770 172.693 1.077 19235 2561 1 4 . 1 1 66 66 THR CA C 66 62.725 62.725 61.543 1.182 19235 2562 1 4 . 1 1 66 66 THR CB C 66 73.439 73.439 72.015 1.424 19235 2563 1 4 . 1 1 66 66 THR H H 66 8.667 8.667 7.737 0.930 19235 2564 1 4 . 1 1 67 67 VAL N N 67 127.075 127.075 126.299 0.776 19235 2565 1 4 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.732 -0.026 19235 2566 1 4 . 1 1 67 67 VAL C C 67 176.093 176.093 173.914 2.179 19235 2567 1 4 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.538 1.420 19235 2568 1 4 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.534 0.643 19235 2569 1 4 . 1 1 67 67 VAL H H 67 8.777 8.777 9.042 -0.265 19235 2570 1 4 . 1 1 68 68 CYS N N 68 122.749 122.749 126.855 -4.106 19235 2571 1 4 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.344 0.139 19235 2572 1 4 . 1 1 68 68 CYS C C 68 174.607 174.607 173.656 0.951 19235 2573 1 4 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.404 0.733 19235 2574 1 4 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.914 0.760 19235 2575 1 4 . 1 1 68 68 CYS H H 68 8.987 8.987 9.117 -0.130 19235 2576 1 4 . 1 1 69 69 TRP N N 69 123.217 123.217 127.360 -4.143 19235 2577 1 4 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.683 0.629 19235 2578 1 4 . 1 1 69 69 TRP C C 69 178.064 178.064 175.121 2.943 19235 2579 1 4 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.166 -1.369 19235 2580 1 4 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.236 3.904 19235 2581 1 4 . 1 1 69 69 TRP H H 69 9.612 9.612 9.322 0.290 19235 2582 1 4 . 1 1 70 70 GLN N N 70 122.556 122.556 120.995 1.561 19235 2583 1 4 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.772 0.512 19235 2584 1 4 . 1 1 70 70 GLN C C 70 176.295 176.295 174.567 1.728 19235 2585 1 4 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.148 0.738 19235 2586 1 4 . 1 1 70 70 GLN CB C 70 33.277 33.277 31.596 1.681 19235 2587 1 4 . 1 1 70 70 GLN H H 70 10.132 10.132 9.318 0.814 19235 2588 1 4 . 1 1 71 71 HIS N N 71 128.443 128.443 128.067 0.376 19235 2589 1 4 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.827 -0.841 19235 2590 1 4 . 1 1 71 71 HIS C C 71 175.251 175.251 173.747 1.504 19235 2591 1 4 . 1 1 71 71 HIS CA C 71 60.992 60.992 55.079 5.913 19235 2592 1 4 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.645 -0.419 19235 2593 1 4 . 1 1 71 71 HIS H H 71 8.947 8.947 8.873 0.074 19235 2594 1 4 . 1 1 72 72 ALA N N 72 131.788 131.788 129.414 2.374 19235 2595 1 4 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.411 0.296 19235 2596 1 4 . 1 1 72 72 ALA C C 72 176.274 176.274 175.230 1.044 19235 2597 1 4 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.342 -0.841 19235 2598 1 4 . 1 1 72 72 ALA CB C 72 21.372 21.372 20.105 1.267 19235 2599 1 4 . 1 1 72 72 ALA H H 72 7.954 7.954 8.576 -0.622 19235 2600 1 4 . 1 1 73 73 GLY N N 73 107.065 107.065 108.845 -1.780 19235 2601 1 4 . 1 1 73 73 GLY C C 73 175.476 175.476 173.626 1.850 19235 2602 1 4 . 1 1 73 73 GLY CA C 73 44.907 44.907 43.552 1.355 19235 2603 1 4 . 1 1 73 73 GLY H H 73 8.037 8.037 7.489 0.548 19235 2604 1 4 . 1 1 74 74 ASN N N 74 117.053 117.053 118.949 -1.896 19235 2605 1 4 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.692 0.566 19235 2606 1 4 . 1 1 74 74 ASN C C 74 175.858 175.858 174.481 1.377 19235 2607 1 4 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.078 -0.450 19235 2608 1 4 . 1 1 74 74 ASN CB C 74 39.618 39.618 37.233 2.385 19235 2609 1 4 . 1 1 74 74 ASN H H 74 8.214 8.214 8.641 -0.427 19235 2610 1 4 . 1 1 75 75 MET N N 75 118.795 118.795 120.753 -1.958 19235 2611 1 4 . 1 1 75 75 MET HA H 75 4.972 4.972 4.888 0.084 19235 2612 1 4 . 1 1 75 75 MET C C 75 176.426 176.426 173.600 2.826 19235 2613 1 4 . 1 1 75 75 MET CA C 75 52.203 52.203 52.123 0.080 19235 2614 1 4 . 1 1 75 75 MET CB C 75 35.318 35.318 34.452 0.866 19235 2615 1 4 . 1 1 75 75 MET H H 75 8.685 8.685 7.737 0.948 19235 2616 1 4 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.557 0.361 19235 2617 1 4 . 1 1 76 76 PRO C C 76 179.193 179.193 177.288 1.905 19235 2618 1 4 . 1 1 76 76 PRO CA C 76 62.896 62.896 63.172 -0.276 19235 2619 1 4 . 1 1 76 76 PRO CB C 76 32.869 32.869 32.614 0.255 19235 2620 1 4 . 1 1 77 77 GLU N N 77 124.888 124.888 125.146 -0.258 19235 2621 1 4 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.875 -0.073 19235 2622 1 4 . 1 1 77 77 GLU C C 77 181.035 181.035 178.173 2.862 19235 2623 1 4 . 1 1 77 77 GLU CA C 77 60.350 60.350 60.587 -0.238 19235 2624 1 4 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.736 -0.569 19235 2625 1 4 . 1 1 77 77 GLU H H 77 9.141 9.141 8.985 0.156 19235 2626 1 4 . 1 1 78 78 SER N N 78 111.049 111.049 110.190 0.859 19235 2627 1 4 . 1 1 78 78 SER HA H 78 4.335 4.335 4.200 0.135 19235 2628 1 4 . 1 1 78 78 SER C C 78 174.864 174.864 174.901 -0.037 19235 2629 1 4 . 1 1 78 78 SER CA C 78 60.184 60.184 59.990 0.194 19235 2630 1 4 . 1 1 78 78 SER CB C 78 63.543 63.543 62.632 0.911 19235 2631 1 4 . 1 1 78 78 SER H H 78 8.349 8.349 8.400 -0.051 19235 2632 1 4 . 1 1 79 79 TRP N N 79 115.554 115.554 120.605 -5.051 19235 2633 1 4 . 1 1 79 79 TRP HA H 79 4.315 4.315 5.137 -0.822 19235 2634 1 4 . 1 1 79 79 TRP C C 79 178.135 178.135 175.571 2.564 19235 2635 1 4 . 1 1 79 79 TRP CA C 79 54.664 54.664 57.087 -2.423 19235 2636 1 4 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.806 -2.850 19235 2637 1 4 . 1 1 79 79 TRP H H 79 7.492 7.492 8.256 -0.764 19235 2638 1 4 . 1 1 80 80 MET N N 80 123.060 123.060 120.159 2.901 19235 2639 1 4 . 1 1 80 80 MET HA H 80 4.677 4.677 4.655 0.022 19235 2640 1 4 . 1 1 80 80 MET C C 80 179.026 179.026 175.860 3.166 19235 2641 1 4 . 1 1 80 80 MET CA C 80 58.410 58.410 56.841 1.569 19235 2642 1 4 . 1 1 80 80 MET CB C 80 32.136 32.136 35.036 -2.900 19235 2643 1 4 . 1 1 80 80 MET H H 80 7.570 7.570 7.875 -0.305 19235 2644 1 4 . 1 1 81 81 GLY N N 81 112.489 112.489 109.681 2.808 19235 2645 1 4 . 1 1 81 81 GLY C C 81 176.316 176.316 174.128 2.188 19235 2646 1 4 . 1 1 81 81 GLY CA C 81 45.856 45.856 45.148 0.708 19235 2647 1 4 . 1 1 81 81 GLY H H 81 9.025 9.025 7.792 1.233 19235 2648 1 4 . 1 1 82 82 THR N N 82 110.515 110.515 113.181 -2.666 19235 2649 1 4 . 1 1 82 82 THR HA H 82 4.925 4.925 4.447 0.478 19235 2650 1 4 . 1 1 82 82 THR C C 82 175.233 175.233 172.868 2.365 19235 2651 1 4 . 1 1 82 82 THR CA C 82 61.666 61.666 60.011 1.655 19235 2652 1 4 . 1 1 82 82 THR CB C 82 72.105 72.105 71.716 0.389 19235 2653 1 4 . 1 1 82 82 THR H H 82 8.201 8.201 7.743 0.458 19235 2654 1 4 . 1 1 83 83 GLU N N 83 117.578 117.578 121.832 -4.254 19235 2655 1 4 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.155 0.149 19235 2656 1 4 . 1 1 83 83 GLU C C 83 175.305 175.305 174.337 0.968 19235 2657 1 4 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.367 0.461 19235 2658 1 4 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.660 0.119 19235 2659 1 4 . 1 1 83 83 GLU H H 83 8.098 8.098 8.426 -0.328 19235 2660 1 4 . 1 1 84 84 ILE N N 84 122.729 122.729 125.481 -2.752 19235 2661 1 4 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.446 0.398 19235 2662 1 4 . 1 1 84 84 ILE C C 84 175.731 175.731 173.929 1.802 19235 2663 1 4 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.729 -0.597 19235 2664 1 4 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.157 0.308 19235 2665 1 4 . 1 1 84 84 ILE H H 84 9.191 9.191 8.957 0.234 19235 2666 1 4 . 1 1 85 85 SER N N 85 119.684 119.684 120.051 -0.367 19235 2667 1 4 . 1 1 85 85 SER HA H 85 5.269 5.269 5.117 0.152 19235 2668 1 4 . 1 1 85 85 SER C C 85 173.140 173.140 172.669 0.471 19235 2669 1 4 . 1 1 85 85 SER CA C 85 55.616 55.616 55.571 0.046 19235 2670 1 4 . 1 1 85 85 SER CB C 85 66.396 66.396 65.301 1.095 19235 2671 1 4 . 1 1 85 85 SER H H 85 8.264 8.264 8.512 -0.248 19235 2672 1 4 . 1 1 86 86 PHE N N 86 120.734 120.734 123.866 -3.132 19235 2673 1 4 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.082 -0.274 19235 2674 1 4 . 1 1 86 86 PHE C C 86 175.882 175.882 174.236 1.646 19235 2675 1 4 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.410 -0.265 19235 2676 1 4 . 1 1 86 86 PHE CB C 86 41.089 41.089 41.452 -0.363 19235 2677 1 4 . 1 1 86 86 PHE H H 86 9.202 9.202 9.118 0.084 19235 2678 1 4 . 1 1 87 87 GLN N N 87 120.452 120.452 124.094 -3.642 19235 2679 1 4 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.256 0.165 19235 2680 1 4 . 1 1 87 87 GLN C C 87 176.561 176.561 174.296 2.265 19235 2681 1 4 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.009 -0.059 19235 2682 1 4 . 1 1 87 87 GLN CB C 87 30.701 30.701 31.691 -0.990 19235 2683 1 4 . 1 1 87 87 GLN H H 87 8.663 8.663 8.932 -0.269 19235 2684 1 4 . 1 1 88 88 LEU N N 88 126.610 126.610 129.048 -2.438 19235 2685 1 4 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.225 0.225 19235 2686 1 4 . 1 1 88 88 LEU C C 88 178.015 178.015 176.746 1.269 19235 2687 1 4 . 1 1 88 88 LEU CA C 88 54.286 54.286 53.945 0.341 19235 2688 1 4 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.562 -1.597 19235 2689 1 4 . 1 1 88 88 LEU H H 88 9.315 9.315 8.750 0.565 19235 2690 1 4 . 1 1 89 89 GLU N N 89 123.568 123.568 122.440 1.128 19235 2691 1 4 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.784 0.008 19235 2692 1 4 . 1 1 89 89 GLU C C 89 176.006 176.006 175.583 0.423 19235 2693 1 4 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.884 0.574 19235 2694 1 4 . 1 1 89 89 GLU CB C 89 32.625 32.625 33.589 -0.964 19235 2695 1 4 . 1 1 89 89 GLU H H 89 8.862 8.862 9.036 -0.174 19235 2696 1 4 . 1 1 90 90 THR N N 90 124.266 124.266 121.357 2.909 19235 2697 1 4 . 1 1 90 90 THR HA H 90 4.828 4.828 4.249 0.579 19235 2698 1 4 . 1 1 90 90 THR C C 90 175.572 175.572 174.401 1.171 19235 2699 1 4 . 1 1 90 90 THR CA C 90 63.397 63.397 64.134 -0.737 19235 2700 1 4 . 1 1 90 90 THR CB C 90 69.628 69.628 69.027 0.601 19235 2701 1 4 . 1 1 90 90 THR H H 90 9.120 9.120 8.540 0.580 19235 2702 1 4 . 1 1 91 91 VAL N N 91 125.506 125.506 123.647 1.859 19235 2703 1 4 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.648 -0.151 19235 2704 1 4 . 1 1 91 91 VAL C C 91 176.665 176.665 176.888 -0.223 19235 2705 1 4 . 1 1 91 91 VAL CA C 91 61.191 61.191 58.877 2.314 19235 2706 1 4 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.628 -0.126 19235 2707 1 4 . 1 1 91 91 VAL H H 91 8.729 8.729 8.416 0.313 19235 2708 1 4 . 1 1 92 92 GLU C C 92 177.778 177.778 176.486 1.292 19235 2709 1 4 . 1 1 93 93 ASN N N 93 115.899 115.899 115.073 0.826 19235 2710 1 4 . 1 1 93 93 ASN C C 93 174.644 174.644 173.724 0.920 19235 2711 1 4 . 1 1 93 93 ASN H H 93 8.372 8.372 8.385 -0.013 19235 2712 1 4 . 1 1 94 94 GLN N N 94 114.412 114.412 116.456 -2.044 19235 2713 1 4 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.662 -0.044 19235 2714 1 4 . 1 1 94 94 GLN C C 94 173.810 173.810 173.917 -0.107 19235 2715 1 4 . 1 1 94 94 GLN CA C 94 54.663 54.663 55.204 -0.541 19235 2716 1 4 . 1 1 94 94 GLN CB C 94 29.779 29.779 30.367 -0.588 19235 2717 1 4 . 1 1 94 94 GLN H H 94 7.505 7.505 7.406 0.099 19235 2718 1 4 . 1 1 95 95 THR N N 95 117.223 117.223 116.229 0.994 19235 2719 1 4 . 1 1 95 95 THR HA H 95 4.889 4.889 4.767 0.122 19235 2720 1 4 . 1 1 95 95 THR C C 95 175.599 175.599 173.077 2.522 19235 2721 1 4 . 1 1 95 95 THR CA C 95 61.633 61.633 62.523 -0.890 19235 2722 1 4 . 1 1 95 95 THR CB C 95 70.071 70.071 70.618 -0.547 19235 2723 1 4 . 1 1 95 95 THR H H 95 8.975 8.975 8.430 0.545 19235 2724 1 4 . 1 1 96 96 PHE N N 96 125.360 125.360 129.217 -3.857 19235 2725 1 4 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.745 -0.013 19235 2726 1 4 . 1 1 96 96 PHE C C 96 176.859 176.859 173.273 3.586 19235 2727 1 4 . 1 1 96 96 PHE CA C 96 58.180 58.180 56.660 1.520 19235 2728 1 4 . 1 1 96 96 PHE CB C 96 40.094 40.094 41.075 -0.981 19235 2729 1 4 . 1 1 96 96 PHE H H 96 9.499 9.499 9.399 0.100 19235 2730 1 4 . 1 1 97 97 VAL N N 97 122.027 122.027 127.972 -5.945 19235 2731 1 4 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.276 0.241 19235 2732 1 4 . 1 1 97 97 VAL C C 97 175.876 175.876 173.588 2.288 19235 2733 1 4 . 1 1 97 97 VAL CA C 97 61.363 61.363 60.660 0.703 19235 2734 1 4 . 1 1 97 97 VAL CB C 97 32.379 32.379 33.214 -0.835 19235 2735 1 4 . 1 1 97 97 VAL H H 97 9.394 9.394 8.708 0.686 19235 2736 1 4 . 1 1 98 98 ARG N N 98 126.680 126.680 127.698 -1.018 19235 2737 1 4 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.814 -0.623 19235 2738 1 4 . 1 1 98 98 ARG C C 98 176.185 176.185 173.869 2.316 19235 2739 1 4 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.173 0.627 19235 2740 1 4 . 1 1 98 98 ARG CB C 98 29.500 29.500 33.305 -3.805 19235 2741 1 4 . 1 1 98 98 ARG H H 98 9.245 9.245 8.859 0.386 19235 2742 1 4 . 1 1 99 99 PHE N N 99 131.125 131.125 129.422 1.703 19235 2743 1 4 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.191 -0.319 19235 2744 1 4 . 1 1 99 99 PHE C C 99 174.793 174.793 173.591 1.202 19235 2745 1 4 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.752 -0.025 19235 2746 1 4 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.566 0.005 19235 2747 1 4 . 1 1 99 99 PHE H H 99 8.723 8.723 9.198 -0.475 19235 2748 1 4 . 1 1 100 100 THR N N 100 124.512 124.512 125.218 -0.706 19235 2749 1 4 . 1 1 100 100 THR HA H 100 5.062 5.062 4.785 0.277 19235 2750 1 4 . 1 1 100 100 THR C C 100 173.105 173.105 171.740 1.365 19235 2751 1 4 . 1 1 100 100 THR CA C 100 59.971 59.971 60.797 -0.826 19235 2752 1 4 . 1 1 100 100 THR CB C 100 71.127 71.127 70.644 0.483 19235 2753 1 4 . 1 1 100 100 THR H H 100 8.020 8.020 8.060 -0.040 19235 2754 1 4 . 1 1 101 101 HIS N N 101 127.719 127.719 127.274 0.445 19235 2755 1 4 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.279 -0.236 19235 2756 1 4 . 1 1 101 101 HIS C C 101 176.440 176.440 174.136 2.304 19235 2757 1 4 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.387 -0.482 19235 2758 1 4 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.103 0.232 19235 2759 1 4 . 1 1 101 101 HIS H H 101 8.714 8.714 8.913 -0.199 19235 2760 1 4 . 1 1 102 102 SER N N 102 121.048 121.048 122.746 -1.698 19235 2761 1 4 . 1 1 102 102 SER HA H 102 5.023 5.023 5.086 -0.063 19235 2762 1 4 . 1 1 102 102 SER C C 102 175.564 175.564 173.879 1.685 19235 2763 1 4 . 1 1 102 102 SER CA C 102 57.264 57.264 56.511 0.753 19235 2764 1 4 . 1 1 102 102 SER CB C 102 66.564 66.564 66.029 0.535 19235 2765 1 4 . 1 1 102 102 SER H H 102 9.804 9.804 9.158 0.646 19235 2766 1 4 . 1 1 103 103 ASN N N 103 110.931 110.931 115.222 -4.291 19235 2767 1 4 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.341 0.051 19235 2768 1 4 . 1 1 103 103 ASN C C 103 176.631 176.631 174.226 2.405 19235 2769 1 4 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.159 0.227 19235 2770 1 4 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.461 0.073 19235 2771 1 4 . 1 1 103 103 ASN H H 103 8.304 8.304 8.692 -0.388 19235 2772 1 4 . 1 1 104 104 TRP N N 104 119.944 119.944 118.941 1.003 19235 2773 1 4 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.718 -0.436 19235 2774 1 4 . 1 1 104 104 TRP C C 104 179.325 179.325 177.225 2.100 19235 2775 1 4 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.793 1.523 19235 2776 1 4 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.295 -2.572 19235 2777 1 4 . 1 1 104 104 TRP H H 104 8.669 8.669 8.502 0.167 19235 2778 1 4 . 1 1 105 105 HIS N N 105 121.315 121.315 121.604 -0.289 19235 2779 1 4 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.056 0.410 19235 2780 1 4 . 1 1 105 105 HIS C C 105 176.866 176.866 174.425 2.441 19235 2781 1 4 . 1 1 105 105 HIS CA C 105 59.426 59.426 57.936 1.490 19235 2782 1 4 . 1 1 105 105 HIS CB C 105 31.018 31.018 29.992 1.026 19235 2783 1 4 . 1 1 105 105 HIS H H 105 8.919 8.919 8.587 0.332 19235 2784 1 4 . 1 1 106 106 GLU N N 106 112.392 112.392 114.873 -2.481 19235 2785 1 4 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.540 -0.011 19235 2786 1 4 . 1 1 106 106 GLU C C 106 175.482 175.482 174.622 0.860 19235 2787 1 4 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.217 -0.871 19235 2788 1 4 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.670 0.646 19235 2789 1 4 . 1 1 106 106 GLU H H 106 7.800 7.800 7.949 -0.149 19235 2790 1 4 . 1 1 107 107 THR N N 107 117.872 117.872 117.614 0.258 19235 2791 1 4 . 1 1 107 107 THR HA H 107 4.261 4.261 4.341 -0.080 19235 2792 1 4 . 1 1 107 107 THR C C 107 175.517 175.517 174.064 1.453 19235 2793 1 4 . 1 1 107 107 THR CA C 107 63.456 63.456 64.108 -0.652 19235 2794 1 4 . 1 1 107 107 THR CB C 107 68.072 68.072 68.982 -0.910 19235 2795 1 4 . 1 1 107 107 THR H H 107 8.668 8.668 8.541 0.127 19235 2796 1 4 . 1 1 108 108 THR N N 108 116.177 116.177 119.725 -3.548 19235 2797 1 4 . 1 1 108 108 THR HA H 108 4.720 4.720 4.591 0.129 19235 2798 1 4 . 1 1 108 108 THR C C 108 176.376 176.376 174.232 2.144 19235 2799 1 4 . 1 1 108 108 THR CA C 108 59.356 59.356 59.508 -0.152 19235 2800 1 4 . 1 1 108 108 THR CB C 108 73.275 73.275 69.936 3.339 19235 2801 1 4 . 1 1 108 108 THR H H 108 6.802 6.802 7.860 -1.058 19235 2802 1 4 . 1 1 109 109 ASP C C 109 179.100 179.100 178.476 0.624 19235 2803 1 4 . 1 1 109 109 ASP CA C 109 57.460 57.460 57.086 0.374 19235 2804 1 4 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.362 -0.194 19235 2805 1 4 . 1 1 110 110 PHE N N 110 119.151 119.151 116.846 2.305 19235 2806 1 4 . 1 1 110 110 PHE HA H 110 4.551 4.551 4.180 0.371 19235 2807 1 4 . 1 1 110 110 PHE C C 110 179.054 179.054 177.647 1.407 19235 2808 1 4 . 1 1 110 110 PHE CA C 110 60.711 60.711 61.267 -0.556 19235 2809 1 4 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.465 -0.038 19235 2810 1 4 . 1 1 110 110 PHE H H 110 8.463 8.463 7.749 0.714 19235 2811 1 4 . 1 1 111 111 MET N N 111 122.801 122.801 117.760 5.041 19235 2812 1 4 . 1 1 111 111 MET HA H 111 3.061 3.061 4.029 -0.968 19235 2813 1 4 . 1 1 111 111 MET C C 111 178.661 178.661 178.175 0.486 19235 2814 1 4 . 1 1 111 111 MET CA C 111 59.888 59.888 56.031 3.857 19235 2815 1 4 . 1 1 111 111 MET CB C 111 31.587 31.587 31.313 0.274 19235 2816 1 4 . 1 1 111 111 MET H H 111 8.261 8.261 7.968 0.293 19235 2817 1 4 . 1 1 112 112 ALA N N 112 121.236 121.236 122.329 -1.093 19235 2818 1 4 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.918 -0.081 19235 2819 1 4 . 1 1 112 112 ALA C C 112 179.201 179.201 179.937 -0.736 19235 2820 1 4 . 1 1 112 112 ALA CA C 112 54.789 54.789 55.103 -0.314 19235 2821 1 4 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.902 0.261 19235 2822 1 4 . 1 1 112 112 ALA H H 112 7.744 7.744 7.906 -0.162 19235 2823 1 4 . 1 1 113 113 HIS N N 113 116.411 116.411 116.702 -0.291 19235 2824 1 4 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.404 -0.071 19235 2825 1 4 . 1 1 113 113 HIS C C 113 178.145 178.145 177.778 0.367 19235 2826 1 4 . 1 1 113 113 HIS CA C 113 60.201 60.201 59.212 0.989 19235 2827 1 4 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.842 -0.001 19235 2828 1 4 . 1 1 113 113 HIS H H 113 8.275 8.275 7.666 0.609 19235 2829 1 4 . 1 1 114 114 CYS N N 114 114.740 114.740 118.362 -3.622 19235 2830 1 4 . 1 1 114 114 CYS HA H 114 3.961 3.961 4.035 -0.074 19235 2831 1 4 . 1 1 114 114 CYS C C 114 177.431 177.431 176.927 0.504 19235 2832 1 4 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.425 0.067 19235 2833 1 4 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.359 0.249 19235 2834 1 4 . 1 1 114 114 CYS H H 114 8.456 8.456 8.406 0.050 19235 2835 1 4 . 1 1 115 115 ASN N N 115 120.985 120.985 118.798 2.187 19235 2836 1 4 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.840 -0.131 19235 2837 1 4 . 1 1 115 115 ASN C C 115 179.521 179.521 177.916 1.605 19235 2838 1 4 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.543 1.543 19235 2839 1 4 . 1 1 115 115 ASN CB C 115 38.919 38.919 37.902 1.017 19235 2840 1 4 . 1 1 115 115 ASN H H 115 8.983 8.983 8.400 0.583 19235 2841 1 4 . 1 1 116 116 THR N N 116 119.651 119.651 117.611 2.040 19235 2842 1 4 . 1 1 116 116 THR HA H 116 4.227 4.227 4.053 0.174 19235 2843 1 4 . 1 1 116 116 THR C C 116 177.405 177.405 176.106 1.299 19235 2844 1 4 . 1 1 116 116 THR CA C 116 67.150 67.150 66.216 0.934 19235 2845 1 4 . 1 1 116 116 THR CB C 116 68.365 68.365 68.740 -0.375 19235 2846 1 4 . 1 1 116 116 THR H H 116 8.704 8.704 7.716 0.988 19235 2847 1 4 . 1 1 117 117 LYS N N 117 121.343 121.343 122.247 -0.904 19235 2848 1 4 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.467 0.813 19235 2849 1 4 . 1 1 117 117 LYS C C 117 180.250 180.250 178.333 1.917 19235 2850 1 4 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.444 -2.342 19235 2851 1 4 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.897 -1.411 19235 2852 1 4 . 1 1 117 117 LYS H H 117 9.148 9.148 7.684 1.464 19235 2853 1 4 . 1 1 118 118 TRP N N 118 117.603 117.603 118.824 -1.221 19235 2854 1 4 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.115 0.765 19235 2855 1 4 . 1 1 118 118 TRP C C 118 180.118 180.118 177.980 2.138 19235 2856 1 4 . 1 1 118 118 TRP CA C 118 59.768 59.768 59.586 0.182 19235 2857 1 4 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.184 1.332 19235 2858 1 4 . 1 1 118 118 TRP H H 118 9.212 9.212 8.153 1.059 19235 2859 1 4 . 1 1 119 119 ALA N N 119 117.358 117.358 121.942 -4.584 19235 2860 1 4 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.764 -0.341 19235 2861 1 4 . 1 1 119 119 ALA C C 119 179.726 179.726 178.830 0.896 19235 2862 1 4 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.789 0.736 19235 2863 1 4 . 1 1 119 119 ALA CB C 119 18.390 18.390 18.177 0.213 19235 2864 1 4 . 1 1 119 119 ALA H H 119 7.132 7.132 7.289 -0.157 19235 2865 1 4 . 1 1 120 120 VAL N N 120 112.004 112.004 117.981 -5.977 19235 2866 1 4 . 1 1 120 120 VAL H H 120 7.188 7.188 7.709 -0.521 19235 2867 1 4 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.416 0.649 19235 2868 1 4 . 1 1 121 121 PHE C C 121 178.810 178.810 177.826 0.984 19235 2869 1 4 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.709 1.957 19235 2870 1 4 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.645 0.158 19235 2871 1 4 . 1 1 122 122 LEU N N 122 121.854 121.854 119.688 2.166 19235 2872 1 4 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.732 0.269 19235 2873 1 4 . 1 1 122 122 LEU C C 122 180.149 180.149 178.892 1.257 19235 2874 1 4 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.908 -0.329 19235 2875 1 4 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.584 -1.910 19235 2876 1 4 . 1 1 122 122 LEU H H 122 8.598 8.598 7.881 0.717 19235 2877 1 4 . 1 1 123 123 LEU N N 123 120.284 120.284 118.888 1.396 19235 2878 1 4 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.842 0.168 19235 2879 1 4 . 1 1 123 123 LEU C C 123 179.701 179.701 179.057 0.644 19235 2880 1 4 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.196 -0.305 19235 2881 1 4 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.221 -0.988 19235 2882 1 4 . 1 1 123 123 LEU H H 123 8.154 8.154 8.239 -0.085 19235 2883 1 4 . 1 1 124 124 SER N N 124 113.478 113.478 115.494 -2.016 19235 2884 1 4 . 1 1 124 124 SER HA H 124 4.586 4.586 4.223 0.363 19235 2885 1 4 . 1 1 124 124 SER C C 124 177.749 177.749 176.559 1.190 19235 2886 1 4 . 1 1 124 124 SER CA C 124 60.660 60.660 61.619 -0.959 19235 2887 1 4 . 1 1 124 124 SER CB C 124 62.601 62.601 63.359 -0.758 19235 2888 1 4 . 1 1 124 124 SER H H 124 7.537 7.537 8.082 -0.545 19235 2889 1 4 . 1 1 125 125 LEU N N 125 120.955 120.955 122.448 -1.493 19235 2890 1 4 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.637 0.029 19235 2891 1 4 . 1 1 125 125 LEU C C 125 177.940 177.940 177.737 0.203 19235 2892 1 4 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.277 1.245 19235 2893 1 4 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.053 -1.330 19235 2894 1 4 . 1 1 125 125 LEU H H 125 8.021 8.021 7.905 0.116 19235 2895 1 4 . 1 1 126 126 LYS N N 126 118.428 118.428 119.248 -0.820 19235 2896 1 4 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.897 0.674 19235 2897 1 4 . 1 1 126 126 LYS C C 126 178.885 178.885 178.242 0.643 19235 2898 1 4 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.747 0.419 19235 2899 1 4 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.273 0.823 19235 2900 1 4 . 1 1 126 126 LYS H H 126 7.899 7.899 7.865 0.034 19235 2901 1 4 . 1 1 127 127 ASP N N 127 119.536 119.536 119.858 -0.322 19235 2902 1 4 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.484 0.049 19235 2903 1 4 . 1 1 127 127 ASP C C 127 180.864 180.864 178.548 2.316 19235 2904 1 4 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.138 0.608 19235 2905 1 4 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.458 -0.622 19235 2906 1 4 . 1 1 127 127 ASP H H 127 8.620 8.620 8.127 0.493 19235 2907 1 4 . 1 1 128 128 ALA N N 128 123.280 123.280 122.278 1.002 19235 2908 1 4 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.092 -0.365 19235 2909 1 4 . 1 1 128 128 ALA C C 128 181.336 181.336 179.352 1.984 19235 2910 1 4 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.305 0.215 19235 2911 1 4 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.737 -1.589 19235 2912 1 4 . 1 1 128 128 ALA H H 128 9.439 9.439 8.045 1.394 19235 2913 1 4 . 1 1 129 129 LEU N N 129 115.298 115.298 117.403 -2.105 19235 2914 1 4 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.050 0.155 19235 2915 1 4 . 1 1 129 129 LEU C C 129 179.484 179.484 178.865 0.619 19235 2916 1 4 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.367 -1.715 19235 2917 1 4 . 1 1 129 129 LEU CB C 129 41.519 41.519 42.054 -0.535 19235 2918 1 4 . 1 1 129 129 LEU H H 129 7.664 7.664 7.405 0.259 19235 2919 1 4 . 1 1 130 130 GLU N N 130 117.821 117.821 117.696 0.125 19235 2920 1 4 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.153 0.145 19235 2921 1 4 . 1 1 130 130 GLU C C 130 179.567 179.567 178.388 1.179 19235 2922 1 4 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.728 0.156 19235 2923 1 4 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.318 0.483 19235 2924 1 4 . 1 1 130 130 GLU H H 130 8.605 8.605 7.954 0.651 19235 2925 1 4 . 1 1 131 131 ILE N N 131 112.140 112.140 116.241 -4.101 19235 2926 1 4 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.170 0.544 19235 2927 1 4 . 1 1 131 131 ILE C C 131 178.233 178.233 177.379 0.854 19235 2928 1 4 . 1 1 131 131 ILE CA C 131 60.993 60.993 62.386 -1.393 19235 2929 1 4 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.877 -0.301 19235 2930 1 4 . 1 1 131 131 ILE H H 131 8.552 8.552 8.014 0.538 19235 2931 1 4 . 1 1 132 132 GLY N N 132 108.998 108.998 106.785 2.213 19235 2932 1 4 . 1 1 132 132 GLY C C 132 174.957 174.957 174.818 0.139 19235 2933 1 4 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.343 0.736 19235 2934 1 4 . 1 1 132 132 GLY H H 132 7.269 7.269 8.398 -1.129 19235 2935 1 4 . 1 1 133 133 LYS N N 133 120.920 120.920 120.168 0.752 19235 2936 1 4 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.498 0.154 19235 2937 1 4 . 1 1 133 133 LYS C C 133 175.857 175.857 177.454 -1.597 19235 2938 1 4 . 1 1 133 133 LYS CA C 133 55.761 55.761 55.442 0.319 19235 2939 1 4 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.838 1.127 19235 2940 1 4 . 1 1 133 133 LYS H H 133 7.024 7.024 8.255 -1.231 19235 2941 1 5 . 1 1 2 2 VAL N N 2 117.791 117.791 122.783 -4.992 19235 2942 1 5 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.402 0.044 19235 2943 1 5 . 1 1 2 2 VAL C C 2 174.276 174.276 174.232 0.044 19235 2944 1 5 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.943 -1.241 19235 2945 1 5 . 1 1 2 2 VAL CB C 2 35.163 35.163 32.894 2.269 19235 2946 1 5 . 1 1 2 2 VAL H H 2 8.851 8.851 8.705 0.146 19235 2947 1 5 . 1 1 3 3 ASN N N 3 117.814 117.814 122.862 -5.048 19235 2948 1 5 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.551 -0.100 19235 2949 1 5 . 1 1 3 3 ASN C C 3 175.197 175.197 174.261 0.936 19235 2950 1 5 . 1 1 3 3 ASN CA C 3 51.458 51.458 52.156 -0.698 19235 2951 1 5 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.792 -0.612 19235 2952 1 5 . 1 1 3 3 ASN H H 3 8.262 8.262 8.604 -0.342 19235 2953 1 5 . 1 1 4 4 ILE N N 4 121.231 121.231 121.852 -0.621 19235 2954 1 5 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.353 -0.391 19235 2955 1 5 . 1 1 4 4 ILE C C 4 175.278 175.278 175.053 0.225 19235 2956 1 5 . 1 1 4 4 ILE CA C 4 61.011 61.011 59.335 1.676 19235 2957 1 5 . 1 1 4 4 ILE CB C 4 40.337 40.337 38.392 1.946 19235 2958 1 5 . 1 1 4 4 ILE H H 4 8.533 8.533 8.910 -0.377 19235 2959 1 5 . 1 1 5 5 ASN N N 5 125.228 125.228 125.842 -0.614 19235 2960 1 5 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.694 -0.128 19235 2961 1 5 . 1 1 5 5 ASN C C 5 174.061 174.061 174.530 -0.469 19235 2962 1 5 . 1 1 5 5 ASN CA C 5 52.660 52.660 51.968 0.692 19235 2963 1 5 . 1 1 5 5 ASN CB C 5 41.661 41.661 41.167 0.493 19235 2964 1 5 . 1 1 5 5 ASN H H 5 8.109 8.109 8.781 -0.672 19235 2965 1 5 . 1 1 6 6 HIS N N 6 120.724 120.724 122.851 -2.127 19235 2966 1 5 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.811 0.474 19235 2967 1 5 . 1 1 6 6 HIS C C 6 177.102 177.102 173.057 4.045 19235 2968 1 5 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.985 -0.359 19235 2969 1 5 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.577 4.987 19235 2970 1 5 . 1 1 6 6 HIS H H 6 9.450 9.450 9.199 0.251 19235 2971 1 5 . 1 1 7 7 ARG N N 7 124.674 124.674 126.420 -1.746 19235 2972 1 5 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.278 -0.439 19235 2973 1 5 . 1 1 7 7 ARG C C 7 174.633 174.633 175.412 -0.779 19235 2974 1 5 . 1 1 7 7 ARG CA C 7 56.600 56.600 55.102 1.498 19235 2975 1 5 . 1 1 7 7 ARG CB C 7 33.582 33.582 32.046 1.536 19235 2976 1 5 . 1 1 7 7 ARG H H 7 8.973 8.973 8.368 0.605 19235 2977 1 5 . 1 1 8 8 ILE N N 8 120.886 120.886 125.993 -5.107 19235 2978 1 5 . 1 1 8 8 ILE H H 8 8.405 8.405 8.900 -0.495 19235 2979 1 5 . 1 1 10 10 ILE N N 10 120.117 120.117 123.630 -3.513 19235 2980 1 5 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.487 -0.804 19235 2981 1 5 . 1 1 10 10 ILE C C 10 177.081 177.081 175.197 1.884 19235 2982 1 5 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.206 -0.403 19235 2983 1 5 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.974 -1.199 19235 2984 1 5 . 1 1 10 10 ILE H H 10 8.604 8.604 9.161 -0.557 19235 2985 1 5 . 1 1 11 11 LYS N N 11 133.535 133.535 127.845 5.690 19235 2986 1 5 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.244 0.247 19235 2987 1 5 . 1 1 11 11 LYS C C 11 174.943 174.943 174.944 -0.001 19235 2988 1 5 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.556 -1.452 19235 2989 1 5 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.652 -1.571 19235 2990 1 5 . 1 1 11 11 LYS H H 11 10.550 10.550 8.860 1.690 19235 2991 1 5 . 1 1 12 12 ALA N N 12 123.135 123.135 122.651 0.484 19235 2992 1 5 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.623 -0.102 19235 2993 1 5 . 1 1 12 12 ALA C C 12 176.178 176.178 175.006 1.172 19235 2994 1 5 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.663 -0.899 19235 2995 1 5 . 1 1 12 12 ALA CB C 12 22.027 22.027 21.923 0.104 19235 2996 1 5 . 1 1 12 12 ALA H H 12 7.933 7.933 8.117 -0.184 19235 2997 1 5 . 1 1 13 13 SER N N 13 116.710 116.710 114.151 2.559 19235 2998 1 5 . 1 1 13 13 SER HA H 13 4.588 4.588 4.833 -0.245 19235 2999 1 5 . 1 1 13 13 SER C C 13 174.197 174.197 174.434 -0.237 19235 3000 1 5 . 1 1 13 13 SER CA C 13 56.147 56.147 55.876 0.271 19235 3001 1 5 . 1 1 13 13 SER CB C 13 62.656 62.656 63.368 -0.712 19235 3002 1 5 . 1 1 13 13 SER H H 13 8.492 8.492 8.472 0.020 19235 3003 1 5 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.324 -0.272 19235 3004 1 5 . 1 1 14 14 PRO C C 14 178.833 178.833 178.397 0.436 19235 3005 1 5 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.026 0.521 19235 3006 1 5 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.898 -0.589 19235 3007 1 5 . 1 1 15 15 GLU N N 15 116.821 116.821 119.822 -3.001 19235 3008 1 5 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.454 -0.186 19235 3009 1 5 . 1 1 15 15 GLU C C 15 180.574 180.574 178.956 1.618 19235 3010 1 5 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.543 0.122 19235 3011 1 5 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.028 -0.424 19235 3012 1 5 . 1 1 15 15 GLU H H 15 8.821 8.821 8.552 0.269 19235 3013 1 5 . 1 1 16 16 LYS N N 16 120.446 120.446 120.006 0.440 19235 3014 1 5 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.152 -0.121 19235 3015 1 5 . 1 1 16 16 LYS C C 16 181.277 181.277 179.259 2.018 19235 3016 1 5 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.578 -0.846 19235 3017 1 5 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.622 -0.705 19235 3018 1 5 . 1 1 16 16 LYS H H 16 7.634 7.634 7.960 -0.326 19235 3019 1 5 . 1 1 17 17 ILE N N 17 120.100 120.100 119.709 0.391 19235 3020 1 5 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.717 -0.287 19235 3021 1 5 . 1 1 17 17 ILE C C 17 177.873 177.873 177.866 0.007 19235 3022 1 5 . 1 1 17 17 ILE CA C 17 65.049 65.049 64.865 0.184 19235 3023 1 5 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.089 -0.520 19235 3024 1 5 . 1 1 17 17 ILE H H 17 7.797 7.797 7.786 0.011 19235 3025 1 5 . 1 1 18 18 TYR N N 18 119.139 119.139 119.883 -0.744 19235 3026 1 5 . 1 1 18 18 TYR HA H 18 3.763 3.763 4.013 -0.250 19235 3027 1 5 . 1 1 18 18 TYR C C 18 181.847 181.847 178.423 3.424 19235 3028 1 5 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.005 0.671 19235 3029 1 5 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.533 0.673 19235 3030 1 5 . 1 1 18 18 TYR H H 18 9.072 9.072 7.995 1.077 19235 3031 1 5 . 1 1 19 19 GLN N N 19 120.579 120.579 118.963 1.616 19235 3032 1 5 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.952 -0.077 19235 3033 1 5 . 1 1 19 19 GLN C C 19 178.871 178.871 178.086 0.785 19235 3034 1 5 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.504 1.103 19235 3035 1 5 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.927 -0.745 19235 3036 1 5 . 1 1 19 19 GLN H H 19 8.330 8.330 8.364 -0.034 19235 3037 1 5 . 1 1 20 20 ALA N N 20 121.903 121.903 120.496 1.407 19235 3038 1 5 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.250 -0.124 19235 3039 1 5 . 1 1 20 20 ALA C C 20 177.058 177.058 178.374 -1.316 19235 3040 1 5 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.810 -0.740 19235 3041 1 5 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.845 -0.907 19235 3042 1 5 . 1 1 20 20 ALA H H 20 7.451 7.451 7.832 -0.381 19235 3043 1 5 . 1 1 21 21 LEU N N 21 112.471 112.471 113.308 -0.837 19235 3044 1 5 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.516 -0.695 19235 3045 1 5 . 1 1 21 21 LEU C C 21 178.910 178.910 177.506 1.404 19235 3046 1 5 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.337 -0.835 19235 3047 1 5 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.371 1.840 19235 3048 1 5 . 1 1 21 21 LEU H H 21 7.061 7.061 7.477 -0.416 19235 3049 1 5 . 1 1 22 22 THR N N 22 100.722 100.722 106.776 -6.054 19235 3050 1 5 . 1 1 22 22 THR HA H 22 4.558 4.558 4.435 0.123 19235 3051 1 5 . 1 1 22 22 THR C C 22 175.792 175.792 174.814 0.978 19235 3052 1 5 . 1 1 22 22 THR CA C 22 61.081 61.081 61.350 -0.269 19235 3053 1 5 . 1 1 22 22 THR CB C 22 71.747 71.747 70.309 1.438 19235 3054 1 5 . 1 1 22 22 THR H H 22 7.069 7.069 7.478 -0.409 19235 3055 1 5 . 1 1 23 23 THR N N 23 109.777 109.777 118.856 -9.079 19235 3056 1 5 . 1 1 23 23 THR HA H 23 4.893 4.893 4.530 0.363 19235 3057 1 5 . 1 1 23 23 THR C C 23 174.449 174.449 173.795 0.654 19235 3058 1 5 . 1 1 23 23 THR CA C 23 58.343 58.343 61.083 -2.740 19235 3059 1 5 . 1 1 23 23 THR CB C 23 72.836 72.836 71.731 1.105 19235 3060 1 5 . 1 1 23 23 THR H H 23 7.308 7.308 7.603 -0.295 19235 3061 1 5 . 1 1 24 24 ASP N N 24 126.109 126.109 126.263 -0.154 19235 3062 1 5 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.180 0.056 19235 3063 1 5 . 1 1 24 24 ASP C C 24 179.062 179.062 177.539 1.523 19235 3064 1 5 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.990 0.282 19235 3065 1 5 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.219 -0.437 19235 3066 1 5 . 1 1 24 24 ASP H H 24 9.248 9.248 8.878 0.370 19235 3067 1 5 . 1 1 25 25 ASP N N 25 114.688 114.688 117.711 -3.023 19235 3068 1 5 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.417 -0.147 19235 3069 1 5 . 1 1 25 25 ASP C C 25 179.453 179.453 178.313 1.140 19235 3070 1 5 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.809 0.296 19235 3071 1 5 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.029 0.375 19235 3072 1 5 . 1 1 25 25 ASP H H 25 8.640 8.640 8.583 0.057 19235 3073 1 5 . 1 1 26 26 GLY N N 26 108.020 108.020 107.526 0.494 19235 3074 1 5 . 1 1 26 26 GLY C C 26 176.629 176.629 176.018 0.611 19235 3075 1 5 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.276 1.137 19235 3076 1 5 . 1 1 26 26 GLY H H 26 7.756 7.756 8.095 -0.339 19235 3077 1 5 . 1 1 27 27 LEU N N 27 124.486 124.486 122.422 2.064 19235 3078 1 5 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.414 1.134 19235 3079 1 5 . 1 1 27 27 LEU C C 27 180.999 180.999 178.814 2.185 19235 3080 1 5 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.065 1.090 19235 3081 1 5 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.487 2.821 19235 3082 1 5 . 1 1 27 27 LEU H H 27 8.401 8.401 8.079 0.322 19235 3083 1 5 . 1 1 28 28 LYS N N 28 118.482 118.482 117.403 1.079 19235 3084 1 5 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.136 0.129 19235 3085 1 5 . 1 1 28 28 LYS C C 28 179.269 179.269 177.937 1.332 19235 3086 1 5 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.489 -1.542 19235 3087 1 5 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.144 1.501 19235 3088 1 5 . 1 1 28 28 LYS H H 28 7.864 7.864 7.742 0.122 19235 3089 1 5 . 1 1 29 29 LYS N N 29 113.309 113.309 116.337 -3.028 19235 3090 1 5 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.165 0.030 19235 3091 1 5 . 1 1 29 29 LYS C C 29 178.869 178.869 177.143 1.726 19235 3092 1 5 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.549 -0.723 19235 3093 1 5 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.113 -0.264 19235 3094 1 5 . 1 1 29 29 LYS H H 29 7.666 7.666 7.631 0.035 19235 3095 1 5 . 1 1 30 30 TRP N N 30 108.469 108.469 114.684 -6.215 19235 3096 1 5 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.925 0.335 19235 3097 1 5 . 1 1 30 30 TRP C C 30 176.975 176.975 174.553 2.422 19235 3098 1 5 . 1 1 30 30 TRP CA C 30 55.592 55.592 55.463 0.129 19235 3099 1 5 . 1 1 30 30 TRP CB C 30 31.448 31.448 28.629 2.819 19235 3100 1 5 . 1 1 30 30 TRP H H 30 7.427 7.427 7.565 -0.138 19235 3101 1 5 . 1 1 31 31 TRP N N 31 124.489 124.489 122.052 2.437 19235 3102 1 5 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.295 0.936 19235 3103 1 5 . 1 1 31 31 TRP C C 31 175.907 175.907 175.905 0.002 19235 3104 1 5 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.916 -1.228 19235 3105 1 5 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.492 -1.504 19235 3106 1 5 . 1 1 31 31 TRP H H 31 7.525 7.525 7.761 -0.236 19235 3107 1 5 . 1 1 32 32 THR N N 32 107.670 107.670 109.029 -1.359 19235 3108 1 5 . 1 1 32 32 THR HA H 32 5.064 5.064 4.593 0.471 19235 3109 1 5 . 1 1 32 32 THR C C 32 171.071 171.071 174.157 -3.086 19235 3110 1 5 . 1 1 32 32 THR CA C 32 57.486 57.486 60.078 -2.592 19235 3111 1 5 . 1 1 32 32 THR CB C 32 67.302 67.302 71.733 -4.431 19235 3112 1 5 . 1 1 32 32 THR H H 32 6.582 6.582 7.824 -1.242 19235 3113 1 5 . 1 1 33 33 ASN N N 33 118.705 118.705 116.685 2.020 19235 3114 1 5 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.784 -0.069 19235 3115 1 5 . 1 1 33 33 ASN C C 33 176.424 176.424 174.138 2.286 19235 3116 1 5 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.346 0.841 19235 3117 1 5 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.789 -0.911 19235 3118 1 5 . 1 1 33 33 ASN H H 33 8.281 8.281 8.615 -0.334 19235 3119 1 5 . 1 1 34 34 ASP N N 34 121.174 121.174 120.353 0.821 19235 3120 1 5 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.754 -0.024 19235 3121 1 5 . 1 1 34 34 ASP C C 34 174.163 174.163 173.646 0.517 19235 3122 1 5 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.619 -0.920 19235 3123 1 5 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.600 -1.160 19235 3124 1 5 . 1 1 34 34 ASP H H 34 6.751 6.751 7.797 -1.046 19235 3125 1 5 . 1 1 35 35 ILE N N 35 120.932 120.932 122.693 -1.761 19235 3126 1 5 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.620 -0.057 19235 3127 1 5 . 1 1 35 35 ILE C C 35 175.512 175.512 173.974 1.538 19235 3128 1 5 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.849 0.580 19235 3129 1 5 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.413 0.696 19235 3130 1 5 . 1 1 35 35 ILE H H 35 6.805 6.805 8.027 -1.222 19235 3131 1 5 . 1 1 36 36 SER N N 36 117.993 117.993 119.577 -1.584 19235 3132 1 5 . 1 1 36 36 SER HA H 36 4.600 4.600 4.860 -0.260 19235 3133 1 5 . 1 1 36 36 SER C C 36 174.509 174.509 173.565 0.944 19235 3134 1 5 . 1 1 36 36 SER CA C 36 56.936 56.936 56.386 0.550 19235 3135 1 5 . 1 1 36 36 SER CB C 36 65.556 65.556 64.353 1.204 19235 3136 1 5 . 1 1 36 36 SER H H 36 7.508 7.508 8.223 -0.715 19235 3137 1 5 . 1 1 37 37 GLY N N 37 112.153 112.153 114.321 -2.168 19235 3138 1 5 . 1 1 37 37 GLY C C 37 175.786 175.786 172.376 3.410 19235 3139 1 5 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.459 -0.591 19235 3140 1 5 . 1 1 37 37 GLY H H 37 8.914 8.914 8.849 0.065 19235 3141 1 5 . 1 1 38 38 ALA N N 38 125.303 125.303 122.910 2.393 19235 3142 1 5 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.934 -0.285 19235 3143 1 5 . 1 1 38 38 ALA C C 38 179.569 179.569 176.243 3.326 19235 3144 1 5 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.491 1.808 19235 3145 1 5 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.171 0.095 19235 3146 1 5 . 1 1 38 38 ALA H H 38 10.037 10.037 8.246 1.791 19235 3147 1 5 . 1 1 39 39 GLY N N 39 110.076 110.076 106.837 3.239 19235 3148 1 5 . 1 1 39 39 GLY C C 39 175.023 175.023 174.445 0.578 19235 3149 1 5 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.920 2.010 19235 3150 1 5 . 1 1 39 39 GLY H H 39 6.982 6.982 7.769 -0.787 19235 3151 1 5 . 1 1 40 40 VAL N N 40 114.196 114.196 117.307 -3.111 19235 3152 1 5 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.360 -0.076 19235 3153 1 5 . 1 1 40 40 VAL C C 40 177.795 177.795 176.341 1.454 19235 3154 1 5 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.313 -0.180 19235 3155 1 5 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.318 -0.440 19235 3156 1 5 . 1 1 40 40 VAL H H 40 7.857 7.857 7.817 0.040 19235 3157 1 5 . 1 1 41 41 VAL N N 41 120.950 120.950 121.276 -0.326 19235 3158 1 5 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.442 0.126 19235 3159 1 5 . 1 1 41 41 VAL C C 41 177.788 177.788 176.679 1.109 19235 3160 1 5 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.748 1.448 19235 3161 1 5 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.286 -0.098 19235 3162 1 5 . 1 1 41 41 VAL H H 41 8.469 8.469 8.459 0.010 19235 3163 1 5 . 1 1 42 42 GLY N N 42 116.155 116.155 115.490 0.665 19235 3164 1 5 . 1 1 42 42 GLY C C 42 176.032 176.032 174.120 1.912 19235 3165 1 5 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.636 -0.244 19235 3166 1 5 . 1 1 42 42 GLY H H 42 9.266 9.266 8.833 0.433 19235 3167 1 5 . 1 1 43 43 SER N N 43 118.352 118.352 117.287 1.065 19235 3168 1 5 . 1 1 43 43 SER HA H 43 4.385 4.385 4.448 -0.063 19235 3169 1 5 . 1 1 43 43 SER C C 43 173.302 173.302 173.855 -0.553 19235 3170 1 5 . 1 1 43 43 SER CA C 43 59.910 59.910 58.304 1.606 19235 3171 1 5 . 1 1 43 43 SER CB C 43 63.931 63.931 64.519 -0.588 19235 3172 1 5 . 1 1 43 43 SER H H 43 8.408 8.408 8.155 0.253 19235 3173 1 5 . 1 1 44 44 THR N N 44 118.418 118.418 121.349 -2.931 19235 3174 1 5 . 1 1 44 44 THR HA H 44 4.815 4.815 4.677 0.138 19235 3175 1 5 . 1 1 44 44 THR C C 44 173.450 173.450 173.846 -0.396 19235 3176 1 5 . 1 1 44 44 THR CA C 44 62.444 62.444 61.283 1.161 19235 3177 1 5 . 1 1 44 44 THR CB C 44 69.663 69.663 70.688 -1.025 19235 3178 1 5 . 1 1 44 44 THR H H 44 8.386 8.386 8.114 0.272 19235 3179 1 5 . 1 1 45 45 ILE N N 45 127.861 127.861 127.821 0.040 19235 3180 1 5 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.075 -0.237 19235 3181 1 5 . 1 1 45 45 ILE C C 45 176.164 176.164 174.177 1.987 19235 3182 1 5 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.547 -0.124 19235 3183 1 5 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.401 -0.868 19235 3184 1 5 . 1 1 45 45 ILE H H 45 9.423 9.423 8.864 0.559 19235 3185 1 5 . 1 1 46 46 LYS N N 46 125.403 125.403 127.736 -2.333 19235 3186 1 5 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.046 -0.523 19235 3187 1 5 . 1 1 46 46 LYS C C 46 176.574 176.574 174.908 1.666 19235 3188 1 5 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.352 1.274 19235 3189 1 5 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.346 -3.397 19235 3190 1 5 . 1 1 46 46 LYS H H 46 8.388 8.388 8.460 -0.072 19235 3191 1 5 . 1 1 47 47 PHE N N 47 124.081 124.081 124.503 -0.422 19235 3192 1 5 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.663 -0.262 19235 3193 1 5 . 1 1 47 47 PHE C C 47 177.107 177.107 175.047 2.060 19235 3194 1 5 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.833 0.321 19235 3195 1 5 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.999 -2.362 19235 3196 1 5 . 1 1 47 47 PHE H H 47 8.026 8.026 8.599 -0.573 19235 3197 1 5 . 1 1 48 48 ARG N N 48 121.376 121.376 121.217 0.159 19235 3198 1 5 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.359 0.201 19235 3199 1 5 . 1 1 48 48 ARG C C 48 175.042 175.042 175.199 -0.157 19235 3200 1 5 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.872 -4.290 19235 3201 1 5 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.065 1.493 19235 3202 1 5 . 1 1 48 48 ARG H H 48 8.521 8.521 8.435 0.086 19235 3203 1 5 . 1 1 49 49 PHE N N 49 121.884 121.884 124.788 -2.904 19235 3204 1 5 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.742 -0.943 19235 3205 1 5 . 1 1 49 49 PHE C C 49 175.580 175.580 174.313 1.267 19235 3206 1 5 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.866 -1.560 19235 3207 1 5 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.789 -4.679 19235 3208 1 5 . 1 1 49 49 PHE H H 49 8.649 8.649 8.346 0.303 19235 3209 1 5 . 1 1 50 50 ASN N N 50 121.994 121.994 121.572 0.422 19235 3210 1 5 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.435 -0.023 19235 3211 1 5 . 1 1 50 50 ASN C C 50 177.277 177.277 175.554 1.723 19235 3212 1 5 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.666 -0.348 19235 3213 1 5 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.205 -1.081 19235 3214 1 5 . 1 1 50 50 ASN H H 50 9.296 9.296 7.771 1.525 19235 3215 1 5 . 1 1 51 51 GLY N N 51 103.211 103.211 108.062 -4.851 19235 3216 1 5 . 1 1 51 51 GLY C C 51 175.077 175.077 174.819 0.258 19235 3217 1 5 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.124 0.503 19235 3218 1 5 . 1 1 51 51 GLY H H 51 8.532 8.532 7.676 0.856 19235 3219 1 5 . 1 1 52 52 GLY N N 52 106.323 106.323 109.461 -3.138 19235 3220 1 5 . 1 1 52 52 GLY C C 52 173.770 173.770 174.876 -1.106 19235 3221 1 5 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.583 -1.096 19235 3222 1 5 . 1 1 52 52 GLY H H 52 7.215 7.215 8.359 -1.144 19235 3223 1 5 . 1 1 53 53 GLY N N 53 109.867 109.867 109.720 0.147 19235 3224 1 5 . 1 1 53 53 GLY C C 53 169.984 169.984 173.340 -3.356 19235 3225 1 5 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.439 2.065 19235 3226 1 5 . 1 1 53 53 GLY H H 53 8.412 8.412 8.556 -0.144 19235 3227 1 5 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.262 1.101 19235 3228 1 5 . 1 1 54 54 PRO C C 54 175.960 175.960 175.352 0.608 19235 3229 1 5 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.437 0.198 19235 3230 1 5 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.772 0.568 19235 3231 1 5 . 1 1 55 55 ASP N N 55 118.374 118.374 120.820 -2.446 19235 3232 1 5 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.551 0.227 19235 3233 1 5 . 1 1 55 55 ASP C C 55 176.144 176.144 174.489 1.655 19235 3234 1 5 . 1 1 55 55 ASP CA C 55 51.576 51.576 52.900 -1.324 19235 3235 1 5 . 1 1 55 55 ASP CB C 55 41.471 41.471 45.096 -3.626 19235 3236 1 5 . 1 1 55 55 ASP H H 55 6.732 6.732 7.968 -1.236 19235 3237 1 5 . 1 1 56 56 PHE N N 56 116.916 116.916 120.020 -3.104 19235 3238 1 5 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.993 0.090 19235 3239 1 5 . 1 1 56 56 PHE C C 56 175.088 175.088 174.640 0.448 19235 3240 1 5 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.547 0.815 19235 3241 1 5 . 1 1 56 56 PHE CB C 56 43.296 43.296 42.323 0.973 19235 3242 1 5 . 1 1 56 56 PHE H H 56 9.140 9.140 8.932 0.208 19235 3243 1 5 . 1 1 57 57 LYS N N 57 123.219 123.219 124.681 -1.462 19235 3244 1 5 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.686 0.552 19235 3245 1 5 . 1 1 57 57 LYS C C 57 177.979 177.979 175.758 2.221 19235 3246 1 5 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.352 -1.042 19235 3247 1 5 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.589 -0.659 19235 3248 1 5 . 1 1 57 57 LYS H H 57 9.574 9.574 9.066 0.508 19235 3249 1 5 . 1 1 58 58 VAL N N 58 127.037 127.037 128.225 -1.188 19235 3250 1 5 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.604 0.063 19235 3251 1 5 . 1 1 58 58 VAL C C 58 178.738 178.738 176.500 2.238 19235 3252 1 5 . 1 1 58 58 VAL CA C 58 63.756 63.756 63.037 0.719 19235 3253 1 5 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.737 -0.004 19235 3254 1 5 . 1 1 58 58 VAL H H 58 9.196 9.196 8.839 0.357 19235 3255 1 5 . 1 1 59 59 THR N N 59 120.775 120.775 120.266 0.509 19235 3256 1 5 . 1 1 59 59 THR HA H 59 4.716 4.716 4.473 0.243 19235 3257 1 5 . 1 1 59 59 THR C C 59 177.001 177.001 174.653 2.348 19235 3258 1 5 . 1 1 59 59 THR CA C 59 62.615 62.615 62.104 0.511 19235 3259 1 5 . 1 1 59 59 THR CB C 59 69.528 69.528 69.813 -0.285 19235 3260 1 5 . 1 1 59 59 THR H H 59 9.470 9.470 9.302 0.168 19235 3261 1 5 . 1 1 60 60 LYS N N 60 123.315 123.315 121.302 2.013 19235 3262 1 5 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.542 -0.110 19235 3263 1 5 . 1 1 60 60 LYS C C 60 174.225 174.225 173.964 0.261 19235 3264 1 5 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.670 1.249 19235 3265 1 5 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.100 -0.769 19235 3266 1 5 . 1 1 60 60 LYS H H 60 7.819 7.819 7.647 0.172 19235 3267 1 5 . 1 1 61 61 LEU N N 61 125.573 125.573 126.423 -0.850 19235 3268 1 5 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.132 0.083 19235 3269 1 5 . 1 1 61 61 LEU C C 61 177.508 177.508 175.868 1.640 19235 3270 1 5 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.711 0.643 19235 3271 1 5 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.687 0.082 19235 3272 1 5 . 1 1 61 61 LEU H H 61 8.354 8.354 8.589 -0.235 19235 3273 1 5 . 1 1 62 62 ILE N N 62 124.326 124.326 124.565 -0.239 19235 3274 1 5 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.623 0.148 19235 3275 1 5 . 1 1 62 62 ILE C C 62 175.200 175.200 174.194 1.006 19235 3276 1 5 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.979 0.977 19235 3277 1 5 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.686 -1.399 19235 3278 1 5 . 1 1 62 62 ILE H H 62 9.340 9.340 9.062 0.278 19235 3279 1 5 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.926 -0.638 19235 3280 1 5 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.287 0.581 19235 3281 1 5 . 1 1 64 64 ASN N N 64 113.559 113.559 115.528 -1.969 19235 3282 1 5 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.857 -0.402 19235 3283 1 5 . 1 1 64 64 ASN C C 64 174.053 174.053 174.214 -0.161 19235 3284 1 5 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.299 1.073 19235 3285 1 5 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.651 0.219 19235 3286 1 5 . 1 1 64 64 ASN H H 64 4.547 4.547 6.993 -2.446 19235 3287 1 5 . 1 1 65 65 LYS N N 65 116.786 116.786 118.005 -1.219 19235 3288 1 5 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.498 0.315 19235 3289 1 5 . 1 1 65 65 LYS C C 65 176.349 176.349 174.595 1.754 19235 3290 1 5 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.618 1.410 19235 3291 1 5 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.615 0.821 19235 3292 1 5 . 1 1 65 65 LYS H H 65 8.222 8.222 8.113 0.109 19235 3293 1 5 . 1 1 66 66 THR N N 66 114.184 114.184 116.941 -2.757 19235 3294 1 5 . 1 1 66 66 THR HA H 66 5.462 5.462 5.441 0.021 19235 3295 1 5 . 1 1 66 66 THR C C 66 173.770 173.770 172.836 0.934 19235 3296 1 5 . 1 1 66 66 THR CA C 66 62.725 62.725 61.592 1.133 19235 3297 1 5 . 1 1 66 66 THR CB C 66 73.439 73.439 72.215 1.224 19235 3298 1 5 . 1 1 66 66 THR H H 66 8.667 8.667 7.761 0.905 19235 3299 1 5 . 1 1 67 67 VAL N N 67 127.075 127.075 126.854 0.221 19235 3300 1 5 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.714 -0.008 19235 3301 1 5 . 1 1 67 67 VAL C C 67 176.093 176.093 174.473 1.620 19235 3302 1 5 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.663 1.295 19235 3303 1 5 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.198 0.979 19235 3304 1 5 . 1 1 67 67 VAL H H 67 8.777 8.777 8.810 -0.033 19235 3305 1 5 . 1 1 68 68 CYS N N 68 122.749 122.749 126.219 -3.470 19235 3306 1 5 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.294 0.189 19235 3307 1 5 . 1 1 68 68 CYS C C 68 174.607 174.607 174.349 0.258 19235 3308 1 5 . 1 1 68 68 CYS CA C 68 57.137 57.137 57.388 -0.251 19235 3309 1 5 . 1 1 68 68 CYS CB C 68 30.674 30.674 28.774 1.900 19235 3310 1 5 . 1 1 68 68 CYS H H 68 8.987 8.987 8.798 0.189 19235 3311 1 5 . 1 1 69 69 TRP N N 69 123.217 123.217 124.424 -1.207 19235 3312 1 5 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.739 0.573 19235 3313 1 5 . 1 1 69 69 TRP C C 69 178.064 178.064 175.242 2.822 19235 3314 1 5 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.121 -1.323 19235 3315 1 5 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.797 3.344 19235 3316 1 5 . 1 1 69 69 TRP H H 69 9.612 9.612 9.424 0.188 19235 3317 1 5 . 1 1 70 70 GLN N N 70 122.556 122.556 120.474 2.082 19235 3318 1 5 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.886 0.398 19235 3319 1 5 . 1 1 70 70 GLN C C 70 176.295 176.295 174.848 1.447 19235 3320 1 5 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.261 0.625 19235 3321 1 5 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.944 0.333 19235 3322 1 5 . 1 1 70 70 GLN H H 70 10.132 10.132 9.163 0.969 19235 3323 1 5 . 1 1 71 71 HIS N N 71 128.443 128.443 127.600 0.843 19235 3324 1 5 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.554 -0.568 19235 3325 1 5 . 1 1 71 71 HIS C C 71 175.251 175.251 173.956 1.295 19235 3326 1 5 . 1 1 71 71 HIS CA C 71 60.992 60.992 58.164 2.828 19235 3327 1 5 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.100 0.126 19235 3328 1 5 . 1 1 71 71 HIS H H 71 8.947 8.947 8.547 0.400 19235 3329 1 5 . 1 1 72 72 ALA N N 72 131.788 131.788 127.301 4.487 19235 3330 1 5 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.636 0.071 19235 3331 1 5 . 1 1 72 72 ALA C C 72 176.274 176.274 174.668 1.606 19235 3332 1 5 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.452 -0.951 19235 3333 1 5 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.260 -0.888 19235 3334 1 5 . 1 1 72 72 ALA H H 72 7.954 7.954 8.091 -0.137 19235 3335 1 5 . 1 1 73 73 GLY N N 73 107.065 107.065 107.770 -0.705 19235 3336 1 5 . 1 1 73 73 GLY C C 73 175.476 175.476 173.506 1.970 19235 3337 1 5 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.045 -0.138 19235 3338 1 5 . 1 1 73 73 GLY H H 73 8.037 8.037 8.099 -0.062 19235 3339 1 5 . 1 1 74 74 ASN N N 74 117.053 117.053 118.634 -1.581 19235 3340 1 5 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.836 0.422 19235 3341 1 5 . 1 1 74 74 ASN C C 74 175.858 175.858 175.448 0.410 19235 3342 1 5 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.010 -0.382 19235 3343 1 5 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.748 0.870 19235 3344 1 5 . 1 1 74 74 ASN H H 74 8.214 8.214 8.606 -0.392 19235 3345 1 5 . 1 1 75 75 MET N N 75 118.795 118.795 120.739 -1.944 19235 3346 1 5 . 1 1 75 75 MET HA H 75 4.972 4.972 4.490 0.482 19235 3347 1 5 . 1 1 75 75 MET C C 75 176.426 176.426 174.132 2.294 19235 3348 1 5 . 1 1 75 75 MET CA C 75 52.203 52.203 53.966 -1.763 19235 3349 1 5 . 1 1 75 75 MET CB C 75 35.318 35.318 32.416 2.902 19235 3350 1 5 . 1 1 75 75 MET H H 75 8.685 8.685 7.628 1.057 19235 3351 1 5 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.190 0.728 19235 3352 1 5 . 1 1 76 76 PRO C C 76 179.193 179.193 177.137 2.056 19235 3353 1 5 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.926 -0.030 19235 3354 1 5 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.852 1.016 19235 3355 1 5 . 1 1 77 77 GLU N N 77 124.888 124.888 122.646 2.242 19235 3356 1 5 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.901 -0.099 19235 3357 1 5 . 1 1 77 77 GLU C C 77 181.035 181.035 178.667 2.368 19235 3358 1 5 . 1 1 77 77 GLU CA C 77 60.350 60.350 59.901 0.449 19235 3359 1 5 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.425 -0.259 19235 3360 1 5 . 1 1 77 77 GLU H H 77 9.141 9.141 8.756 0.385 19235 3361 1 5 . 1 1 78 78 SER N N 78 111.049 111.049 112.874 -1.825 19235 3362 1 5 . 1 1 78 78 SER HA H 78 4.335 4.335 4.309 0.026 19235 3363 1 5 . 1 1 78 78 SER C C 78 174.864 174.864 175.514 -0.650 19235 3364 1 5 . 1 1 78 78 SER CA C 78 60.184 60.184 60.615 -0.431 19235 3365 1 5 . 1 1 78 78 SER CB C 78 63.543 63.543 62.831 0.712 19235 3366 1 5 . 1 1 78 78 SER H H 78 8.349 8.349 8.227 0.122 19235 3367 1 5 . 1 1 79 79 TRP N N 79 115.554 115.554 120.609 -5.055 19235 3368 1 5 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.638 -0.323 19235 3369 1 5 . 1 1 79 79 TRP C C 79 178.135 178.135 177.607 0.528 19235 3370 1 5 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.893 -2.229 19235 3371 1 5 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.264 -2.308 19235 3372 1 5 . 1 1 79 79 TRP H H 79 7.492 7.492 7.632 -0.140 19235 3373 1 5 . 1 1 80 80 MET N N 80 123.060 123.060 116.816 6.244 19235 3374 1 5 . 1 1 80 80 MET HA H 80 4.677 4.677 4.733 -0.056 19235 3375 1 5 . 1 1 80 80 MET C C 80 179.026 179.026 178.613 0.413 19235 3376 1 5 . 1 1 80 80 MET CA C 80 58.410 58.410 58.241 0.169 19235 3377 1 5 . 1 1 80 80 MET CB C 80 32.136 32.136 33.525 -1.389 19235 3378 1 5 . 1 1 80 80 MET H H 80 7.570 7.570 7.893 -0.323 19235 3379 1 5 . 1 1 81 81 GLY N N 81 112.489 112.489 108.562 3.927 19235 3380 1 5 . 1 1 81 81 GLY C C 81 176.316 176.316 173.504 2.812 19235 3381 1 5 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.822 1.034 19235 3382 1 5 . 1 1 81 81 GLY H H 81 9.025 9.025 7.995 1.030 19235 3383 1 5 . 1 1 82 82 THR N N 82 110.515 110.515 112.211 -1.696 19235 3384 1 5 . 1 1 82 82 THR HA H 82 4.925 4.925 4.628 0.297 19235 3385 1 5 . 1 1 82 82 THR C C 82 175.233 175.233 173.133 2.100 19235 3386 1 5 . 1 1 82 82 THR CA C 82 61.666 61.666 60.071 1.595 19235 3387 1 5 . 1 1 82 82 THR CB C 82 72.105 72.105 71.549 0.556 19235 3388 1 5 . 1 1 82 82 THR H H 82 8.201 8.201 7.656 0.545 19235 3389 1 5 . 1 1 83 83 GLU N N 83 117.578 117.578 121.725 -4.147 19235 3390 1 5 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.211 0.093 19235 3391 1 5 . 1 1 83 83 GLU C C 83 175.305 175.305 174.717 0.588 19235 3392 1 5 . 1 1 83 83 GLU CA C 83 54.829 54.829 55.075 -0.246 19235 3393 1 5 . 1 1 83 83 GLU CB C 83 33.779 33.779 34.253 -0.474 19235 3394 1 5 . 1 1 83 83 GLU H H 83 8.098 8.098 8.180 -0.082 19235 3395 1 5 . 1 1 84 84 ILE N N 84 122.729 122.729 121.970 0.759 19235 3396 1 5 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.693 0.151 19235 3397 1 5 . 1 1 84 84 ILE C C 84 175.731 175.731 174.049 1.682 19235 3398 1 5 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.553 -0.421 19235 3399 1 5 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.651 -0.187 19235 3400 1 5 . 1 1 84 84 ILE H H 84 9.191 9.191 9.130 0.061 19235 3401 1 5 . 1 1 85 85 SER N N 85 119.684 119.684 119.379 0.305 19235 3402 1 5 . 1 1 85 85 SER HA H 85 5.269 5.269 5.107 0.162 19235 3403 1 5 . 1 1 85 85 SER C C 85 173.140 173.140 172.760 0.380 19235 3404 1 5 . 1 1 85 85 SER CA C 85 55.616 55.616 55.541 0.075 19235 3405 1 5 . 1 1 85 85 SER CB C 85 66.396 66.396 65.373 1.023 19235 3406 1 5 . 1 1 85 85 SER H H 85 8.264 8.264 8.480 -0.216 19235 3407 1 5 . 1 1 86 86 PHE N N 86 120.734 120.734 124.222 -3.488 19235 3408 1 5 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.055 -0.247 19235 3409 1 5 . 1 1 86 86 PHE C C 86 175.882 175.882 174.469 1.413 19235 3410 1 5 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.409 -0.264 19235 3411 1 5 . 1 1 86 86 PHE CB C 86 41.089 41.089 40.191 0.898 19235 3412 1 5 . 1 1 86 86 PHE H H 86 9.202 9.202 9.154 0.048 19235 3413 1 5 . 1 1 87 87 GLN N N 87 120.452 120.452 124.618 -4.166 19235 3414 1 5 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.092 0.329 19235 3415 1 5 . 1 1 87 87 GLN C C 87 176.561 176.561 174.667 1.894 19235 3416 1 5 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.107 -0.157 19235 3417 1 5 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.472 0.229 19235 3418 1 5 . 1 1 87 87 GLN H H 87 8.663 8.663 8.864 -0.201 19235 3419 1 5 . 1 1 88 88 LEU N N 88 126.610 126.610 129.128 -2.518 19235 3420 1 5 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.077 0.373 19235 3421 1 5 . 1 1 88 88 LEU C C 88 178.015 178.015 176.817 1.198 19235 3422 1 5 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.202 0.084 19235 3423 1 5 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.024 -1.059 19235 3424 1 5 . 1 1 88 88 LEU H H 88 9.315 9.315 8.788 0.527 19235 3425 1 5 . 1 1 89 89 GLU N N 89 123.568 123.568 124.631 -1.063 19235 3426 1 5 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.704 0.088 19235 3427 1 5 . 1 1 89 89 GLU C C 89 176.006 176.006 175.413 0.593 19235 3428 1 5 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.490 0.968 19235 3429 1 5 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.978 -0.353 19235 3430 1 5 . 1 1 89 89 GLU H H 89 8.862 8.862 9.196 -0.334 19235 3431 1 5 . 1 1 90 90 THR N N 90 124.266 124.266 123.264 1.002 19235 3432 1 5 . 1 1 90 90 THR HA H 90 4.828 4.828 4.076 0.752 19235 3433 1 5 . 1 1 90 90 THR C C 90 175.572 175.572 174.042 1.530 19235 3434 1 5 . 1 1 90 90 THR CA C 90 63.397 63.397 63.775 -0.378 19235 3435 1 5 . 1 1 90 90 THR CB C 90 69.628 69.628 69.232 0.396 19235 3436 1 5 . 1 1 90 90 THR H H 90 9.120 9.120 8.592 0.528 19235 3437 1 5 . 1 1 91 91 VAL N N 91 125.506 125.506 126.225 -0.719 19235 3438 1 5 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.152 0.345 19235 3439 1 5 . 1 1 91 91 VAL C C 91 176.665 176.665 175.538 1.127 19235 3440 1 5 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.989 1.202 19235 3441 1 5 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.931 -0.429 19235 3442 1 5 . 1 1 91 91 VAL H H 91 8.729 8.729 8.057 0.672 19235 3443 1 5 . 1 1 92 92 GLU C C 92 177.778 177.778 176.855 0.923 19235 3444 1 5 . 1 1 93 93 ASN N N 93 115.899 115.899 116.002 -0.103 19235 3445 1 5 . 1 1 93 93 ASN C C 93 174.644 174.644 175.458 -0.814 19235 3446 1 5 . 1 1 93 93 ASN H H 93 8.372 8.372 8.261 0.111 19235 3447 1 5 . 1 1 94 94 GLN N N 94 114.412 114.412 116.650 -2.238 19235 3448 1 5 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.513 0.105 19235 3449 1 5 . 1 1 94 94 GLN C C 94 173.810 173.810 174.187 -0.377 19235 3450 1 5 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.685 -0.022 19235 3451 1 5 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.456 -2.677 19235 3452 1 5 . 1 1 94 94 GLN H H 94 7.505 7.505 7.668 -0.163 19235 3453 1 5 . 1 1 95 95 THR N N 95 117.223 117.223 116.965 0.258 19235 3454 1 5 . 1 1 95 95 THR HA H 95 4.889 4.889 4.881 0.008 19235 3455 1 5 . 1 1 95 95 THR C C 95 175.599 175.599 173.558 2.041 19235 3456 1 5 . 1 1 95 95 THR CA C 95 61.633 61.633 61.842 -0.209 19235 3457 1 5 . 1 1 95 95 THR CB C 95 70.071 70.071 70.507 -0.436 19235 3458 1 5 . 1 1 95 95 THR H H 95 8.975 8.975 8.411 0.564 19235 3459 1 5 . 1 1 96 96 PHE N N 96 125.360 125.360 126.356 -0.996 19235 3460 1 5 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.835 -0.103 19235 3461 1 5 . 1 1 96 96 PHE C C 96 176.859 176.859 174.976 1.883 19235 3462 1 5 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.544 3.636 19235 3463 1 5 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.209 -0.115 19235 3464 1 5 . 1 1 96 96 PHE H H 96 9.499 9.499 9.367 0.132 19235 3465 1 5 . 1 1 97 97 VAL N N 97 122.027 122.027 124.278 -2.251 19235 3466 1 5 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.358 0.159 19235 3467 1 5 . 1 1 97 97 VAL C C 97 175.876 175.876 175.331 0.545 19235 3468 1 5 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.783 -0.420 19235 3469 1 5 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.692 -0.313 19235 3470 1 5 . 1 1 97 97 VAL H H 97 9.394 9.394 9.202 0.192 19235 3471 1 5 . 1 1 98 98 ARG N N 98 126.680 126.680 127.489 -0.809 19235 3472 1 5 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.820 -0.629 19235 3473 1 5 . 1 1 98 98 ARG C C 98 176.185 176.185 174.954 1.231 19235 3474 1 5 . 1 1 98 98 ARG CA C 98 54.801 54.801 55.018 -0.217 19235 3475 1 5 . 1 1 98 98 ARG CB C 98 29.500 29.500 30.704 -1.204 19235 3476 1 5 . 1 1 98 98 ARG H H 98 9.245 9.245 9.244 0.001 19235 3477 1 5 . 1 1 99 99 PHE N N 99 131.125 131.125 128.549 2.576 19235 3478 1 5 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.074 -0.202 19235 3479 1 5 . 1 1 99 99 PHE C C 99 174.793 174.793 173.955 0.838 19235 3480 1 5 . 1 1 99 99 PHE CA C 99 55.727 55.727 56.396 -0.669 19235 3481 1 5 . 1 1 99 99 PHE CB C 99 42.571 42.571 41.751 0.820 19235 3482 1 5 . 1 1 99 99 PHE H H 99 8.723 8.723 9.346 -0.623 19235 3483 1 5 . 1 1 100 100 THR N N 100 124.512 124.512 125.639 -1.127 19235 3484 1 5 . 1 1 100 100 THR HA H 100 5.062 5.062 4.877 0.185 19235 3485 1 5 . 1 1 100 100 THR C C 100 173.105 173.105 172.009 1.096 19235 3486 1 5 . 1 1 100 100 THR CA C 100 59.971 59.971 60.909 -0.938 19235 3487 1 5 . 1 1 100 100 THR CB C 100 71.127 71.127 70.366 0.761 19235 3488 1 5 . 1 1 100 100 THR H H 100 8.020 8.020 8.093 -0.073 19235 3489 1 5 . 1 1 101 101 HIS N N 101 127.719 127.719 127.973 -0.254 19235 3490 1 5 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.375 -0.332 19235 3491 1 5 . 1 1 101 101 HIS C C 101 176.440 176.440 174.257 2.183 19235 3492 1 5 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.385 -0.480 19235 3493 1 5 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.219 0.116 19235 3494 1 5 . 1 1 101 101 HIS H H 101 8.714 8.714 8.903 -0.189 19235 3495 1 5 . 1 1 102 102 SER N N 102 121.048 121.048 122.681 -1.633 19235 3496 1 5 . 1 1 102 102 SER HA H 102 5.023 5.023 5.129 -0.106 19235 3497 1 5 . 1 1 102 102 SER C C 102 175.564 175.564 174.049 1.515 19235 3498 1 5 . 1 1 102 102 SER CA C 102 57.264 57.264 56.696 0.568 19235 3499 1 5 . 1 1 102 102 SER CB C 102 66.564 66.564 66.068 0.496 19235 3500 1 5 . 1 1 102 102 SER H H 102 9.804 9.804 9.026 0.778 19235 3501 1 5 . 1 1 103 103 ASN N N 103 110.931 110.931 115.339 -4.408 19235 3502 1 5 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.399 -0.007 19235 3503 1 5 . 1 1 103 103 ASN C C 103 176.631 176.631 173.845 2.786 19235 3504 1 5 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.380 0.006 19235 3505 1 5 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.544 -0.011 19235 3506 1 5 . 1 1 103 103 ASN H H 103 8.304 8.304 8.698 -0.394 19235 3507 1 5 . 1 1 104 104 TRP N N 104 119.944 119.944 118.927 1.017 19235 3508 1 5 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.794 -0.512 19235 3509 1 5 . 1 1 104 104 TRP C C 104 179.325 179.325 177.033 2.292 19235 3510 1 5 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.456 1.860 19235 3511 1 5 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.351 -2.628 19235 3512 1 5 . 1 1 104 104 TRP H H 104 8.669 8.669 8.544 0.125 19235 3513 1 5 . 1 1 105 105 HIS N N 105 121.315 121.315 122.681 -1.366 19235 3514 1 5 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.371 0.095 19235 3515 1 5 . 1 1 105 105 HIS C C 105 176.866 176.866 175.149 1.717 19235 3516 1 5 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.604 0.822 19235 3517 1 5 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.925 0.093 19235 3518 1 5 . 1 1 105 105 HIS H H 105 8.919 8.919 9.088 -0.169 19235 3519 1 5 . 1 1 106 106 GLU N N 106 112.392 112.392 115.781 -3.389 19235 3520 1 5 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.525 0.004 19235 3521 1 5 . 1 1 106 106 GLU C C 106 175.482 175.482 175.519 -0.037 19235 3522 1 5 . 1 1 106 106 GLU CA C 106 54.346 54.346 54.779 -0.433 19235 3523 1 5 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.262 1.054 19235 3524 1 5 . 1 1 106 106 GLU H H 106 7.800 7.800 8.052 -0.252 19235 3525 1 5 . 1 1 107 107 THR N N 107 117.872 117.872 113.563 4.309 19235 3526 1 5 . 1 1 107 107 THR HA H 107 4.261 4.261 4.146 0.115 19235 3527 1 5 . 1 1 107 107 THR C C 107 175.517 175.517 174.517 1.000 19235 3528 1 5 . 1 1 107 107 THR CA C 107 63.456 63.456 62.070 1.386 19235 3529 1 5 . 1 1 107 107 THR CB C 107 68.072 68.072 67.710 0.362 19235 3530 1 5 . 1 1 107 107 THR H H 107 8.668 8.668 8.395 0.273 19235 3531 1 5 . 1 1 108 108 THR N N 108 116.177 116.177 117.888 -1.711 19235 3532 1 5 . 1 1 108 108 THR HA H 108 4.720 4.720 4.450 0.270 19235 3533 1 5 . 1 1 108 108 THR C C 108 176.376 176.376 175.382 0.994 19235 3534 1 5 . 1 1 108 108 THR CA C 108 59.356 59.356 59.914 -0.558 19235 3535 1 5 . 1 1 108 108 THR CB C 108 73.275 73.275 70.754 2.521 19235 3536 1 5 . 1 1 108 108 THR H H 108 6.802 6.802 7.859 -1.057 19235 3537 1 5 . 1 1 109 109 ASP C C 109 179.100 179.100 177.672 1.428 19235 3538 1 5 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.765 0.695 19235 3539 1 5 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.340 -0.172 19235 3540 1 5 . 1 1 110 110 PHE N N 110 119.151 119.151 120.578 -1.427 19235 3541 1 5 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.796 0.755 19235 3542 1 5 . 1 1 110 110 PHE C C 110 179.054 179.054 176.920 2.134 19235 3543 1 5 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.712 -0.001 19235 3544 1 5 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.506 -0.079 19235 3545 1 5 . 1 1 110 110 PHE H H 110 8.463 8.463 7.542 0.921 19235 3546 1 5 . 1 1 111 111 MET N N 111 122.801 122.801 118.669 4.132 19235 3547 1 5 . 1 1 111 111 MET HA H 111 3.061 3.061 3.182 -0.121 19235 3548 1 5 . 1 1 111 111 MET C C 111 178.661 178.661 177.390 1.271 19235 3549 1 5 . 1 1 111 111 MET CA C 111 59.888 59.888 57.845 2.043 19235 3550 1 5 . 1 1 111 111 MET CB C 111 31.587 31.587 30.850 0.737 19235 3551 1 5 . 1 1 111 111 MET H H 111 8.261 8.261 7.669 0.592 19235 3552 1 5 . 1 1 112 112 ALA N N 112 121.236 121.236 120.676 0.560 19235 3553 1 5 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.835 0.002 19235 3554 1 5 . 1 1 112 112 ALA C C 112 179.201 179.201 179.452 -0.251 19235 3555 1 5 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.786 0.003 19235 3556 1 5 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.909 0.254 19235 3557 1 5 . 1 1 112 112 ALA H H 112 7.744 7.744 7.458 0.286 19235 3558 1 5 . 1 1 113 113 HIS N N 113 116.411 116.411 118.228 -1.817 19235 3559 1 5 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.174 0.159 19235 3560 1 5 . 1 1 113 113 HIS C C 113 178.145 178.145 177.960 0.185 19235 3561 1 5 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.517 1.683 19235 3562 1 5 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.811 0.030 19235 3563 1 5 . 1 1 113 113 HIS H H 113 8.275 8.275 8.189 0.086 19235 3564 1 5 . 1 1 114 114 CYS N N 114 114.740 114.740 116.918 -2.178 19235 3565 1 5 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.941 0.020 19235 3566 1 5 . 1 1 114 114 CYS C C 114 177.431 177.431 176.628 0.803 19235 3567 1 5 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.493 -0.002 19235 3568 1 5 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.491 0.117 19235 3569 1 5 . 1 1 114 114 CYS H H 114 8.456 8.456 7.971 0.485 19235 3570 1 5 . 1 1 115 115 ASN N N 115 120.985 120.985 119.359 1.626 19235 3571 1 5 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.639 0.070 19235 3572 1 5 . 1 1 115 115 ASN C C 115 179.521 179.521 177.224 2.297 19235 3573 1 5 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.605 1.480 19235 3574 1 5 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.545 0.374 19235 3575 1 5 . 1 1 115 115 ASN H H 115 8.983 8.983 8.193 0.790 19235 3576 1 5 . 1 1 116 116 THR N N 116 119.651 119.651 111.676 7.975 19235 3577 1 5 . 1 1 116 116 THR HA H 116 4.227 4.227 3.979 0.248 19235 3578 1 5 . 1 1 116 116 THR C C 116 177.405 177.405 176.442 0.963 19235 3579 1 5 . 1 1 116 116 THR CA C 116 67.150 67.150 65.591 1.559 19235 3580 1 5 . 1 1 116 116 THR CB C 116 68.365 68.365 68.641 -0.276 19235 3581 1 5 . 1 1 116 116 THR H H 116 8.704 8.704 7.983 0.721 19235 3582 1 5 . 1 1 117 117 LYS N N 117 121.343 121.343 122.358 -1.015 19235 3583 1 5 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.415 0.865 19235 3584 1 5 . 1 1 117 117 LYS C C 117 180.250 180.250 178.135 2.115 19235 3585 1 5 . 1 1 117 117 LYS CA C 117 57.102 57.102 58.928 -1.826 19235 3586 1 5 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.602 -1.116 19235 3587 1 5 . 1 1 117 117 LYS H H 117 9.148 9.148 7.444 1.704 19235 3588 1 5 . 1 1 118 118 TRP N N 118 117.603 117.603 119.628 -2.025 19235 3589 1 5 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.181 0.699 19235 3590 1 5 . 1 1 118 118 TRP C C 118 180.118 180.118 178.070 2.048 19235 3591 1 5 . 1 1 118 118 TRP CA C 118 59.768 59.768 60.214 -0.446 19235 3592 1 5 . 1 1 118 118 TRP CB C 118 30.516 30.516 28.875 1.641 19235 3593 1 5 . 1 1 118 118 TRP H H 118 9.212 9.212 8.064 1.148 19235 3594 1 5 . 1 1 119 119 ALA N N 119 117.358 117.358 121.477 -4.119 19235 3595 1 5 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.764 -0.341 19235 3596 1 5 . 1 1 119 119 ALA C C 119 179.726 179.726 179.062 0.664 19235 3597 1 5 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.894 0.631 19235 3598 1 5 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.779 0.611 19235 3599 1 5 . 1 1 119 119 ALA H H 119 7.132 7.132 7.506 -0.374 19235 3600 1 5 . 1 1 120 120 VAL N N 120 112.004 112.004 118.924 -6.920 19235 3601 1 5 . 1 1 120 120 VAL H H 120 7.188 7.188 7.536 -0.348 19235 3602 1 5 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.268 0.797 19235 3603 1 5 . 1 1 121 121 PHE C C 121 178.810 178.810 178.575 0.235 19235 3604 1 5 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.543 2.123 19235 3605 1 5 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.617 0.186 19235 3606 1 5 . 1 1 122 122 LEU N N 122 121.854 121.854 119.444 2.410 19235 3607 1 5 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.748 0.253 19235 3608 1 5 . 1 1 122 122 LEU C C 122 180.149 180.149 178.835 1.314 19235 3609 1 5 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.504 0.075 19235 3610 1 5 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.730 -2.057 19235 3611 1 5 . 1 1 122 122 LEU H H 122 8.598 8.598 8.077 0.521 19235 3612 1 5 . 1 1 123 123 LEU N N 123 120.284 120.284 120.634 -0.350 19235 3613 1 5 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.797 0.213 19235 3614 1 5 . 1 1 123 123 LEU C C 123 179.701 179.701 178.233 1.468 19235 3615 1 5 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.298 -0.407 19235 3616 1 5 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.401 -1.168 19235 3617 1 5 . 1 1 123 123 LEU H H 123 8.154 8.154 8.299 -0.145 19235 3618 1 5 . 1 1 124 124 SER N N 124 113.478 113.478 114.726 -1.248 19235 3619 1 5 . 1 1 124 124 SER HA H 124 4.586 4.586 4.091 0.495 19235 3620 1 5 . 1 1 124 124 SER C C 124 177.749 177.749 176.576 1.173 19235 3621 1 5 . 1 1 124 124 SER CA C 124 60.660 60.660 61.528 -0.868 19235 3622 1 5 . 1 1 124 124 SER CB C 124 62.601 62.601 63.179 -0.578 19235 3623 1 5 . 1 1 124 124 SER H H 124 7.537 7.537 8.158 -0.621 19235 3624 1 5 . 1 1 125 125 LEU N N 125 120.955 120.955 122.595 -1.640 19235 3625 1 5 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.454 0.212 19235 3626 1 5 . 1 1 125 125 LEU C C 125 177.940 177.940 177.614 0.326 19235 3627 1 5 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.211 1.311 19235 3628 1 5 . 1 1 125 125 LEU CB C 125 39.723 39.723 40.894 -1.171 19235 3629 1 5 . 1 1 125 125 LEU H H 125 8.021 8.021 7.926 0.095 19235 3630 1 5 . 1 1 126 126 LYS N N 126 118.428 118.428 119.520 -1.092 19235 3631 1 5 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.929 0.642 19235 3632 1 5 . 1 1 126 126 LYS C C 126 178.885 178.885 178.592 0.293 19235 3633 1 5 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.780 0.386 19235 3634 1 5 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.096 1.000 19235 3635 1 5 . 1 1 126 126 LYS H H 126 7.899 7.899 7.948 -0.049 19235 3636 1 5 . 1 1 127 127 ASP N N 127 119.536 119.536 120.035 -0.499 19235 3637 1 5 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.471 0.062 19235 3638 1 5 . 1 1 127 127 ASP C C 127 180.864 180.864 178.464 2.400 19235 3639 1 5 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.131 0.615 19235 3640 1 5 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.387 -0.551 19235 3641 1 5 . 1 1 127 127 ASP H H 127 8.620 8.620 8.013 0.607 19235 3642 1 5 . 1 1 128 128 ALA N N 128 123.280 123.280 122.715 0.565 19235 3643 1 5 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.307 -0.580 19235 3644 1 5 . 1 1 128 128 ALA C C 128 181.336 181.336 179.927 1.409 19235 3645 1 5 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.126 0.394 19235 3646 1 5 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.581 -1.433 19235 3647 1 5 . 1 1 128 128 ALA H H 128 9.439 9.439 8.114 1.325 19235 3648 1 5 . 1 1 129 129 LEU N N 129 115.298 115.298 118.209 -2.911 19235 3649 1 5 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.010 0.195 19235 3650 1 5 . 1 1 129 129 LEU C C 129 179.484 179.484 178.852 0.632 19235 3651 1 5 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.505 -1.853 19235 3652 1 5 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.929 -0.410 19235 3653 1 5 . 1 1 129 129 LEU H H 129 7.664 7.664 7.796 -0.132 19235 3654 1 5 . 1 1 130 130 GLU N N 130 117.821 117.821 118.597 -0.776 19235 3655 1 5 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.089 0.209 19235 3656 1 5 . 1 1 130 130 GLU C C 130 179.567 179.567 177.919 1.648 19235 3657 1 5 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.824 0.060 19235 3658 1 5 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.309 0.492 19235 3659 1 5 . 1 1 130 130 GLU H H 130 8.605 8.605 7.946 0.659 19235 3660 1 5 . 1 1 131 131 ILE N N 131 112.140 112.140 115.993 -3.853 19235 3661 1 5 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.283 0.431 19235 3662 1 5 . 1 1 131 131 ILE C C 131 178.233 178.233 177.214 1.019 19235 3663 1 5 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.739 -0.746 19235 3664 1 5 . 1 1 131 131 ILE CB C 131 39.576 39.576 40.223 -0.647 19235 3665 1 5 . 1 1 131 131 ILE H H 131 8.552 8.552 7.807 0.745 19235 3666 1 5 . 1 1 132 132 GLY N N 132 108.998 108.998 107.242 1.756 19235 3667 1 5 . 1 1 132 132 GLY C C 132 174.957 174.957 174.849 0.108 19235 3668 1 5 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.000 1.079 19235 3669 1 5 . 1 1 132 132 GLY H H 132 7.269 7.269 8.311 -1.042 19235 3670 1 5 . 1 1 133 133 LYS N N 133 120.920 120.920 120.094 0.826 19235 3671 1 5 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.147 0.505 19235 3672 1 5 . 1 1 133 133 LYS C C 133 175.857 175.857 177.898 -2.041 19235 3673 1 5 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.466 -1.705 19235 3674 1 5 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.741 1.224 19235 3675 1 5 . 1 1 133 133 LYS H H 133 7.024 7.024 7.822 -0.798 19235 3676 1 6 . 1 1 2 2 VAL N N 2 117.791 117.791 122.524 -4.733 19235 3677 1 6 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.537 -0.091 19235 3678 1 6 . 1 1 2 2 VAL C C 2 174.276 174.276 174.179 0.097 19235 3679 1 6 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.701 -0.999 19235 3680 1 6 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.415 1.748 19235 3681 1 6 . 1 1 2 2 VAL H H 2 8.851 8.851 8.645 0.206 19235 3682 1 6 . 1 1 3 3 ASN N N 3 117.814 117.814 122.193 -4.379 19235 3683 1 6 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.458 -0.007 19235 3684 1 6 . 1 1 3 3 ASN C C 3 175.197 175.197 174.237 0.960 19235 3685 1 6 . 1 1 3 3 ASN CA C 3 51.458 51.458 52.168 -0.710 19235 3686 1 6 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.992 -0.812 19235 3687 1 6 . 1 1 3 3 ASN H H 3 8.262 8.262 8.561 -0.299 19235 3688 1 6 . 1 1 4 4 ILE N N 4 121.231 121.231 120.225 1.006 19235 3689 1 6 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.478 -0.516 19235 3690 1 6 . 1 1 4 4 ILE C C 4 175.278 175.278 174.121 1.157 19235 3691 1 6 . 1 1 4 4 ILE CA C 4 61.011 61.011 61.037 -0.026 19235 3692 1 6 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.982 -0.645 19235 3693 1 6 . 1 1 4 4 ILE H H 4 8.533 8.533 9.129 -0.596 19235 3694 1 6 . 1 1 5 5 ASN N N 5 125.228 125.228 127.239 -2.011 19235 3695 1 6 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.403 0.163 19235 3696 1 6 . 1 1 5 5 ASN C C 5 174.061 174.061 174.220 -0.159 19235 3697 1 6 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.607 0.053 19235 3698 1 6 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.953 1.708 19235 3699 1 6 . 1 1 5 5 ASN H H 5 8.109 8.109 8.893 -0.784 19235 3700 1 6 . 1 1 6 6 HIS N N 6 120.724 120.724 123.102 -2.378 19235 3701 1 6 . 1 1 6 6 HIS HA H 6 5.285 5.285 5.163 0.122 19235 3702 1 6 . 1 1 6 6 HIS C C 6 177.102 177.102 172.817 4.285 19235 3703 1 6 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.086 0.540 19235 3704 1 6 . 1 1 6 6 HIS CB C 6 38.564 38.564 32.840 5.724 19235 3705 1 6 . 1 1 6 6 HIS H H 6 9.450 9.450 8.741 0.709 19235 3706 1 6 . 1 1 7 7 ARG N N 7 124.674 124.674 120.186 4.488 19235 3707 1 6 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.531 -0.692 19235 3708 1 6 . 1 1 7 7 ARG C C 7 174.633 174.633 174.236 0.397 19235 3709 1 6 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.803 1.797 19235 3710 1 6 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.979 -0.397 19235 3711 1 6 . 1 1 7 7 ARG H H 7 8.973 8.973 8.798 0.175 19235 3712 1 6 . 1 1 8 8 ILE N N 8 120.886 120.886 120.984 -0.098 19235 3713 1 6 . 1 1 8 8 ILE H H 8 8.405 8.405 8.803 -0.398 19235 3714 1 6 . 1 1 10 10 ILE N N 10 120.117 120.117 123.611 -3.494 19235 3715 1 6 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.482 -0.799 19235 3716 1 6 . 1 1 10 10 ILE C C 10 177.081 177.081 175.245 1.836 19235 3717 1 6 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.199 -0.396 19235 3718 1 6 . 1 1 10 10 ILE CB C 10 40.775 40.775 42.036 -1.261 19235 3719 1 6 . 1 1 10 10 ILE H H 10 8.604 8.604 9.044 -0.440 19235 3720 1 6 . 1 1 11 11 LYS N N 11 133.535 133.535 127.809 5.726 19235 3721 1 6 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.243 0.248 19235 3722 1 6 . 1 1 11 11 LYS C C 11 174.943 174.943 174.979 -0.036 19235 3723 1 6 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.552 -1.448 19235 3724 1 6 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.665 -1.584 19235 3725 1 6 . 1 1 11 11 LYS H H 11 10.550 10.550 8.874 1.676 19235 3726 1 6 . 1 1 12 12 ALA N N 12 123.135 123.135 122.909 0.226 19235 3727 1 6 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.634 -0.113 19235 3728 1 6 . 1 1 12 12 ALA C C 12 176.178 176.178 175.040 1.138 19235 3729 1 6 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.548 -0.784 19235 3730 1 6 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.085 -0.058 19235 3731 1 6 . 1 1 12 12 ALA H H 12 7.933 7.933 8.173 -0.240 19235 3732 1 6 . 1 1 13 13 SER N N 13 116.710 116.710 114.512 2.198 19235 3733 1 6 . 1 1 13 13 SER HA H 13 4.588 4.588 4.785 -0.197 19235 3734 1 6 . 1 1 13 13 SER C C 13 174.197 174.197 174.422 -0.225 19235 3735 1 6 . 1 1 13 13 SER CA C 13 56.147 56.147 56.004 0.143 19235 3736 1 6 . 1 1 13 13 SER CB C 13 62.656 62.656 63.302 -0.646 19235 3737 1 6 . 1 1 13 13 SER H H 13 8.492 8.492 8.491 0.001 19235 3738 1 6 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.303 -0.251 19235 3739 1 6 . 1 1 14 14 PRO C C 14 178.833 178.833 178.415 0.418 19235 3740 1 6 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.052 0.495 19235 3741 1 6 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.859 -0.550 19235 3742 1 6 . 1 1 15 15 GLU N N 15 116.821 116.821 119.823 -3.002 19235 3743 1 6 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.456 -0.188 19235 3744 1 6 . 1 1 15 15 GLU C C 15 180.574 180.574 178.953 1.621 19235 3745 1 6 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.531 0.134 19235 3746 1 6 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.043 -0.438 19235 3747 1 6 . 1 1 15 15 GLU H H 15 8.821 8.821 8.545 0.276 19235 3748 1 6 . 1 1 16 16 LYS N N 16 120.446 120.446 120.093 0.353 19235 3749 1 6 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.141 -0.110 19235 3750 1 6 . 1 1 16 16 LYS C C 16 181.277 181.277 179.292 1.985 19235 3751 1 6 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.562 -0.830 19235 3752 1 6 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.627 -0.710 19235 3753 1 6 . 1 1 16 16 LYS H H 16 7.634 7.634 7.987 -0.353 19235 3754 1 6 . 1 1 17 17 ILE N N 17 120.100 120.100 119.795 0.305 19235 3755 1 6 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.685 -0.255 19235 3756 1 6 . 1 1 17 17 ILE C C 17 177.873 177.873 177.762 0.111 19235 3757 1 6 . 1 1 17 17 ILE CA C 17 65.049 65.049 64.945 0.104 19235 3758 1 6 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.040 -0.471 19235 3759 1 6 . 1 1 17 17 ILE H H 17 7.797 7.797 7.939 -0.142 19235 3760 1 6 . 1 1 18 18 TYR N N 18 119.139 119.139 119.891 -0.752 19235 3761 1 6 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.978 -0.215 19235 3762 1 6 . 1 1 18 18 TYR C C 18 181.847 181.847 178.455 3.392 19235 3763 1 6 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.015 0.661 19235 3764 1 6 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.437 0.769 19235 3765 1 6 . 1 1 18 18 TYR H H 18 9.072 9.072 7.951 1.121 19235 3766 1 6 . 1 1 19 19 GLN N N 19 120.579 120.579 118.847 1.732 19235 3767 1 6 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.919 -0.044 19235 3768 1 6 . 1 1 19 19 GLN C C 19 178.871 178.871 178.087 0.784 19235 3769 1 6 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.589 1.018 19235 3770 1 6 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.937 -0.755 19235 3771 1 6 . 1 1 19 19 GLN H H 19 8.330 8.330 8.332 -0.002 19235 3772 1 6 . 1 1 20 20 ALA N N 20 121.903 121.903 120.259 1.644 19235 3773 1 6 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.248 -0.122 19235 3774 1 6 . 1 1 20 20 ALA C C 20 177.058 177.058 179.006 -1.948 19235 3775 1 6 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.807 -0.737 19235 3776 1 6 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.736 -0.798 19235 3777 1 6 . 1 1 20 20 ALA H H 20 7.451 7.451 7.826 -0.375 19235 3778 1 6 . 1 1 21 21 LEU N N 21 112.471 112.471 113.805 -1.334 19235 3779 1 6 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.452 -0.631 19235 3780 1 6 . 1 1 21 21 LEU C C 21 178.910 178.910 177.057 1.853 19235 3781 1 6 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.397 -0.895 19235 3782 1 6 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.348 1.863 19235 3783 1 6 . 1 1 21 21 LEU H H 21 7.061 7.061 7.414 -0.353 19235 3784 1 6 . 1 1 22 22 THR N N 22 100.722 100.722 106.613 -5.891 19235 3785 1 6 . 1 1 22 22 THR HA H 22 4.558 4.558 4.430 0.128 19235 3786 1 6 . 1 1 22 22 THR C C 22 175.792 175.792 174.683 1.109 19235 3787 1 6 . 1 1 22 22 THR CA C 22 61.081 61.081 61.216 -0.135 19235 3788 1 6 . 1 1 22 22 THR CB C 22 71.747 71.747 70.100 1.647 19235 3789 1 6 . 1 1 22 22 THR H H 22 7.069 7.069 7.419 -0.350 19235 3790 1 6 . 1 1 23 23 THR N N 23 109.777 109.777 118.605 -8.828 19235 3791 1 6 . 1 1 23 23 THR HA H 23 4.893 4.893 4.543 0.350 19235 3792 1 6 . 1 1 23 23 THR C C 23 174.449 174.449 173.845 0.604 19235 3793 1 6 . 1 1 23 23 THR CA C 23 58.343 58.343 60.945 -2.602 19235 3794 1 6 . 1 1 23 23 THR CB C 23 72.836 72.836 71.851 0.985 19235 3795 1 6 . 1 1 23 23 THR H H 23 7.308 7.308 7.688 -0.380 19235 3796 1 6 . 1 1 24 24 ASP N N 24 126.109 126.109 126.252 -0.143 19235 3797 1 6 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.174 0.062 19235 3798 1 6 . 1 1 24 24 ASP C C 24 179.062 179.062 177.308 1.754 19235 3799 1 6 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.712 0.560 19235 3800 1 6 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.474 -0.692 19235 3801 1 6 . 1 1 24 24 ASP H H 24 9.248 9.248 8.760 0.488 19235 3802 1 6 . 1 1 25 25 ASP N N 25 114.688 114.688 118.236 -3.548 19235 3803 1 6 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.380 -0.110 19235 3804 1 6 . 1 1 25 25 ASP C C 25 179.453 179.453 178.181 1.272 19235 3805 1 6 . 1 1 25 25 ASP CA C 25 57.105 57.105 57.326 -0.221 19235 3806 1 6 . 1 1 25 25 ASP CB C 25 40.404 40.404 39.670 0.734 19235 3807 1 6 . 1 1 25 25 ASP H H 25 8.640 8.640 8.603 0.037 19235 3808 1 6 . 1 1 26 26 GLY N N 26 108.020 108.020 107.367 0.653 19235 3809 1 6 . 1 1 26 26 GLY C C 26 176.629 176.629 176.289 0.340 19235 3810 1 6 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.343 1.069 19235 3811 1 6 . 1 1 26 26 GLY H H 26 7.756 7.756 8.149 -0.393 19235 3812 1 6 . 1 1 27 27 LEU N N 27 124.486 124.486 122.982 1.504 19235 3813 1 6 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.866 0.682 19235 3814 1 6 . 1 1 27 27 LEU C C 27 180.999 180.999 179.258 1.741 19235 3815 1 6 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.332 0.823 19235 3816 1 6 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.690 2.618 19235 3817 1 6 . 1 1 27 27 LEU H H 27 8.401 8.401 8.164 0.237 19235 3818 1 6 . 1 1 28 28 LYS N N 28 118.482 118.482 117.344 1.138 19235 3819 1 6 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.242 0.023 19235 3820 1 6 . 1 1 28 28 LYS C C 28 179.269 179.269 177.807 1.462 19235 3821 1 6 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.597 -1.650 19235 3822 1 6 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.135 1.510 19235 3823 1 6 . 1 1 28 28 LYS H H 28 7.864 7.864 7.949 -0.085 19235 3824 1 6 . 1 1 29 29 LYS N N 29 113.309 113.309 116.503 -3.194 19235 3825 1 6 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.212 -0.017 19235 3826 1 6 . 1 1 29 29 LYS C C 29 178.869 178.869 177.319 1.550 19235 3827 1 6 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.797 -0.971 19235 3828 1 6 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.174 -0.325 19235 3829 1 6 . 1 1 29 29 LYS H H 29 7.666 7.666 7.634 0.032 19235 3830 1 6 . 1 1 30 30 TRP N N 30 108.469 108.469 114.511 -6.042 19235 3831 1 6 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.891 0.369 19235 3832 1 6 . 1 1 30 30 TRP C C 30 176.975 176.975 175.117 1.858 19235 3833 1 6 . 1 1 30 30 TRP CA C 30 55.592 55.592 55.854 -0.262 19235 3834 1 6 . 1 1 30 30 TRP CB C 30 31.448 31.448 28.983 2.465 19235 3835 1 6 . 1 1 30 30 TRP H H 30 7.427 7.427 7.768 -0.341 19235 3836 1 6 . 1 1 31 31 TRP N N 31 124.489 124.489 121.770 2.719 19235 3837 1 6 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.340 0.891 19235 3838 1 6 . 1 1 31 31 TRP C C 31 175.907 175.907 175.941 -0.034 19235 3839 1 6 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.626 -0.939 19235 3840 1 6 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.589 -1.601 19235 3841 1 6 . 1 1 31 31 TRP H H 31 7.525 7.525 7.735 -0.210 19235 3842 1 6 . 1 1 32 32 THR N N 32 107.670 107.670 109.235 -1.565 19235 3843 1 6 . 1 1 32 32 THR HA H 32 5.064 5.064 4.613 0.451 19235 3844 1 6 . 1 1 32 32 THR C C 32 171.071 171.071 174.233 -3.162 19235 3845 1 6 . 1 1 32 32 THR CA C 32 57.486 57.486 60.007 -2.521 19235 3846 1 6 . 1 1 32 32 THR CB C 32 67.302 67.302 71.873 -4.571 19235 3847 1 6 . 1 1 32 32 THR H H 32 6.582 6.582 7.847 -1.265 19235 3848 1 6 . 1 1 33 33 ASN N N 33 118.705 118.705 116.159 2.546 19235 3849 1 6 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.808 -0.093 19235 3850 1 6 . 1 1 33 33 ASN C C 33 176.424 176.424 173.990 2.434 19235 3851 1 6 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.702 0.485 19235 3852 1 6 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.889 -1.011 19235 3853 1 6 . 1 1 33 33 ASN H H 33 8.281 8.281 8.648 -0.367 19235 3854 1 6 . 1 1 34 34 ASP N N 34 121.174 121.174 119.870 1.304 19235 3855 1 6 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.773 -0.043 19235 3856 1 6 . 1 1 34 34 ASP C C 34 174.163 174.163 173.698 0.465 19235 3857 1 6 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.529 -0.830 19235 3858 1 6 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.484 -1.044 19235 3859 1 6 . 1 1 34 34 ASP H H 34 6.751 6.751 7.591 -0.840 19235 3860 1 6 . 1 1 35 35 ILE N N 35 120.932 120.932 122.508 -1.576 19235 3861 1 6 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.651 -0.088 19235 3862 1 6 . 1 1 35 35 ILE C C 35 175.512 175.512 174.753 0.759 19235 3863 1 6 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.647 0.782 19235 3864 1 6 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.051 1.058 19235 3865 1 6 . 1 1 35 35 ILE H H 35 6.805 6.805 8.106 -1.301 19235 3866 1 6 . 1 1 36 36 SER N N 36 117.993 117.993 121.044 -3.051 19235 3867 1 6 . 1 1 36 36 SER HA H 36 4.600 4.600 4.832 -0.232 19235 3868 1 6 . 1 1 36 36 SER C C 36 174.509 174.509 173.467 1.042 19235 3869 1 6 . 1 1 36 36 SER CA C 36 56.936 56.936 56.493 0.443 19235 3870 1 6 . 1 1 36 36 SER CB C 36 65.556 65.556 64.557 0.999 19235 3871 1 6 . 1 1 36 36 SER H H 36 7.508 7.508 8.422 -0.914 19235 3872 1 6 . 1 1 37 37 GLY N N 37 112.153 112.153 114.292 -2.139 19235 3873 1 6 . 1 1 37 37 GLY C C 37 175.786 175.786 172.405 3.381 19235 3874 1 6 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.494 -0.626 19235 3875 1 6 . 1 1 37 37 GLY H H 37 8.914 8.914 8.930 -0.016 19235 3876 1 6 . 1 1 38 38 ALA N N 38 125.303 125.303 123.035 2.268 19235 3877 1 6 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.948 -0.299 19235 3878 1 6 . 1 1 38 38 ALA C C 38 179.569 179.569 176.302 3.267 19235 3879 1 6 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.480 1.819 19235 3880 1 6 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.215 0.051 19235 3881 1 6 . 1 1 38 38 ALA H H 38 10.037 10.037 8.270 1.767 19235 3882 1 6 . 1 1 39 39 GLY N N 39 110.076 110.076 106.782 3.294 19235 3883 1 6 . 1 1 39 39 GLY C C 39 175.023 175.023 174.414 0.609 19235 3884 1 6 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.844 2.086 19235 3885 1 6 . 1 1 39 39 GLY H H 39 6.982 6.982 7.773 -0.791 19235 3886 1 6 . 1 1 40 40 VAL N N 40 114.196 114.196 117.574 -3.378 19235 3887 1 6 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.277 0.007 19235 3888 1 6 . 1 1 40 40 VAL C C 40 177.795 177.795 176.373 1.422 19235 3889 1 6 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.645 -0.513 19235 3890 1 6 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.122 -0.244 19235 3891 1 6 . 1 1 40 40 VAL H H 40 7.857 7.857 7.836 0.021 19235 3892 1 6 . 1 1 41 41 VAL N N 41 120.950 120.950 121.564 -0.614 19235 3893 1 6 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.558 0.010 19235 3894 1 6 . 1 1 41 41 VAL C C 41 177.788 177.788 176.811 0.977 19235 3895 1 6 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.693 1.503 19235 3896 1 6 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.195 -0.007 19235 3897 1 6 . 1 1 41 41 VAL H H 41 8.469 8.469 8.462 0.007 19235 3898 1 6 . 1 1 42 42 GLY N N 42 116.155 116.155 115.579 0.576 19235 3899 1 6 . 1 1 42 42 GLY C C 42 176.032 176.032 174.119 1.913 19235 3900 1 6 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.633 -0.241 19235 3901 1 6 . 1 1 42 42 GLY H H 42 9.266 9.266 8.899 0.367 19235 3902 1 6 . 1 1 43 43 SER N N 43 118.352 118.352 117.379 0.973 19235 3903 1 6 . 1 1 43 43 SER HA H 43 4.385 4.385 4.430 -0.045 19235 3904 1 6 . 1 1 43 43 SER C C 43 173.302 173.302 173.915 -0.613 19235 3905 1 6 . 1 1 43 43 SER CA C 43 59.910 59.910 58.470 1.440 19235 3906 1 6 . 1 1 43 43 SER CB C 43 63.931 63.931 64.444 -0.513 19235 3907 1 6 . 1 1 43 43 SER H H 43 8.408 8.408 8.134 0.274 19235 3908 1 6 . 1 1 44 44 THR N N 44 118.418 118.418 121.558 -3.140 19235 3909 1 6 . 1 1 44 44 THR HA H 44 4.815 4.815 4.637 0.178 19235 3910 1 6 . 1 1 44 44 THR C C 44 173.450 173.450 173.865 -0.415 19235 3911 1 6 . 1 1 44 44 THR CA C 44 62.444 62.444 61.333 1.111 19235 3912 1 6 . 1 1 44 44 THR CB C 44 69.663 69.663 70.667 -1.004 19235 3913 1 6 . 1 1 44 44 THR H H 44 8.386 8.386 8.120 0.266 19235 3914 1 6 . 1 1 45 45 ILE N N 45 127.861 127.861 127.868 -0.007 19235 3915 1 6 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.146 -0.307 19235 3916 1 6 . 1 1 45 45 ILE C C 45 176.164 176.164 174.284 1.880 19235 3917 1 6 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.542 -0.119 19235 3918 1 6 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.511 -0.978 19235 3919 1 6 . 1 1 45 45 ILE H H 45 9.423 9.423 8.835 0.588 19235 3920 1 6 . 1 1 46 46 LYS N N 46 125.403 125.403 127.716 -2.313 19235 3921 1 6 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.117 -0.594 19235 3922 1 6 . 1 1 46 46 LYS C C 46 176.574 176.574 175.047 1.527 19235 3923 1 6 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.324 1.302 19235 3924 1 6 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.440 -3.490 19235 3925 1 6 . 1 1 46 46 LYS H H 46 8.388 8.388 8.501 -0.113 19235 3926 1 6 . 1 1 47 47 PHE N N 47 124.081 124.081 124.420 -0.339 19235 3927 1 6 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.659 -0.258 19235 3928 1 6 . 1 1 47 47 PHE C C 47 177.107 177.107 175.024 2.083 19235 3929 1 6 . 1 1 47 47 PHE CA C 47 57.154 57.154 57.008 0.146 19235 3930 1 6 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.999 -2.362 19235 3931 1 6 . 1 1 47 47 PHE H H 47 8.026 8.026 8.592 -0.566 19235 3932 1 6 . 1 1 48 48 ARG N N 48 121.376 121.376 121.148 0.228 19235 3933 1 6 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.338 0.222 19235 3934 1 6 . 1 1 48 48 ARG C C 48 175.042 175.042 175.222 -0.180 19235 3935 1 6 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.971 -4.389 19235 3936 1 6 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.047 1.512 19235 3937 1 6 . 1 1 48 48 ARG H H 48 8.521 8.521 8.409 0.112 19235 3938 1 6 . 1 1 49 49 PHE N N 49 121.884 121.884 124.848 -2.964 19235 3939 1 6 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.748 -0.949 19235 3940 1 6 . 1 1 49 49 PHE C C 49 175.580 175.580 174.311 1.269 19235 3941 1 6 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.867 -1.561 19235 3942 1 6 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.767 -4.657 19235 3943 1 6 . 1 1 49 49 PHE H H 49 8.649 8.649 8.332 0.317 19235 3944 1 6 . 1 1 50 50 ASN N N 50 121.994 121.994 121.569 0.425 19235 3945 1 6 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.440 -0.028 19235 3946 1 6 . 1 1 50 50 ASN C C 50 177.277 177.277 175.562 1.715 19235 3947 1 6 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.663 -0.346 19235 3948 1 6 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.207 -1.083 19235 3949 1 6 . 1 1 50 50 ASN H H 50 9.296 9.296 7.771 1.525 19235 3950 1 6 . 1 1 51 51 GLY N N 51 103.211 103.211 108.070 -4.859 19235 3951 1 6 . 1 1 51 51 GLY C C 51 175.077 175.077 174.814 0.263 19235 3952 1 6 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.121 0.507 19235 3953 1 6 . 1 1 51 51 GLY H H 51 8.532 8.532 7.688 0.844 19235 3954 1 6 . 1 1 52 52 GLY N N 52 106.323 106.323 109.398 -3.075 19235 3955 1 6 . 1 1 52 52 GLY C C 52 173.770 173.770 174.815 -1.045 19235 3956 1 6 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.556 -1.069 19235 3957 1 6 . 1 1 52 52 GLY H H 52 7.215 7.215 8.350 -1.135 19235 3958 1 6 . 1 1 53 53 GLY N N 53 109.867 109.867 109.750 0.117 19235 3959 1 6 . 1 1 53 53 GLY C C 53 169.984 169.984 173.476 -3.492 19235 3960 1 6 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.440 2.064 19235 3961 1 6 . 1 1 53 53 GLY H H 53 8.412 8.412 8.540 -0.128 19235 3962 1 6 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.215 1.148 19235 3963 1 6 . 1 1 54 54 PRO C C 54 175.960 175.960 175.343 0.617 19235 3964 1 6 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.382 0.253 19235 3965 1 6 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.731 0.609 19235 3966 1 6 . 1 1 55 55 ASP N N 55 118.374 118.374 120.991 -2.617 19235 3967 1 6 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.416 0.362 19235 3968 1 6 . 1 1 55 55 ASP C C 55 176.144 176.144 174.353 1.791 19235 3969 1 6 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.048 -1.472 19235 3970 1 6 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.632 -3.161 19235 3971 1 6 . 1 1 55 55 ASP H H 55 6.732 6.732 7.971 -1.239 19235 3972 1 6 . 1 1 56 56 PHE N N 56 116.916 116.916 120.757 -3.841 19235 3973 1 6 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.970 0.113 19235 3974 1 6 . 1 1 56 56 PHE C C 56 175.088 175.088 174.798 0.290 19235 3975 1 6 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.449 0.913 19235 3976 1 6 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.783 1.513 19235 3977 1 6 . 1 1 56 56 PHE H H 56 9.140 9.140 9.022 0.118 19235 3978 1 6 . 1 1 57 57 LYS N N 57 123.219 123.219 124.817 -1.598 19235 3979 1 6 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.586 0.652 19235 3980 1 6 . 1 1 57 57 LYS C C 57 177.979 177.979 175.695 2.284 19235 3981 1 6 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.684 -1.374 19235 3982 1 6 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.276 -0.346 19235 3983 1 6 . 1 1 57 57 LYS H H 57 9.574 9.574 9.014 0.560 19235 3984 1 6 . 1 1 58 58 VAL N N 58 127.037 127.037 128.293 -1.256 19235 3985 1 6 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.626 0.041 19235 3986 1 6 . 1 1 58 58 VAL C C 58 178.738 178.738 176.343 2.395 19235 3987 1 6 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.835 0.921 19235 3988 1 6 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.678 0.055 19235 3989 1 6 . 1 1 58 58 VAL H H 58 9.196 9.196 8.839 0.357 19235 3990 1 6 . 1 1 59 59 THR N N 59 120.775 120.775 120.038 0.737 19235 3991 1 6 . 1 1 59 59 THR HA H 59 4.716 4.716 4.478 0.238 19235 3992 1 6 . 1 1 59 59 THR C C 59 177.001 177.001 174.611 2.390 19235 3993 1 6 . 1 1 59 59 THR CA C 59 62.615 62.615 61.958 0.657 19235 3994 1 6 . 1 1 59 59 THR CB C 59 69.528 69.528 69.747 -0.219 19235 3995 1 6 . 1 1 59 59 THR H H 59 9.470 9.470 9.182 0.288 19235 3996 1 6 . 1 1 60 60 LYS N N 60 123.315 123.315 121.592 1.723 19235 3997 1 6 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.549 -0.117 19235 3998 1 6 . 1 1 60 60 LYS C C 60 174.225 174.225 173.993 0.232 19235 3999 1 6 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.637 1.282 19235 4000 1 6 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.092 -0.761 19235 4001 1 6 . 1 1 60 60 LYS H H 60 7.819 7.819 7.646 0.173 19235 4002 1 6 . 1 1 61 61 LEU N N 61 125.573 125.573 126.948 -1.375 19235 4003 1 6 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.181 0.034 19235 4004 1 6 . 1 1 61 61 LEU C C 61 177.508 177.508 175.875 1.633 19235 4005 1 6 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.639 0.715 19235 4006 1 6 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.576 0.193 19235 4007 1 6 . 1 1 61 61 LEU H H 61 8.354 8.354 8.599 -0.245 19235 4008 1 6 . 1 1 62 62 ILE N N 62 124.326 124.326 124.594 -0.268 19235 4009 1 6 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.622 0.149 19235 4010 1 6 . 1 1 62 62 ILE C C 62 175.200 175.200 174.180 1.020 19235 4011 1 6 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.950 1.006 19235 4012 1 6 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.710 -1.423 19235 4013 1 6 . 1 1 62 62 ILE H H 62 9.340 9.340 9.032 0.308 19235 4014 1 6 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.924 -0.636 19235 4015 1 6 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.285 0.583 19235 4016 1 6 . 1 1 64 64 ASN N N 64 113.559 113.559 115.744 -2.185 19235 4017 1 6 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.879 -0.424 19235 4018 1 6 . 1 1 64 64 ASN C C 64 174.053 174.053 174.287 -0.234 19235 4019 1 6 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.343 1.029 19235 4020 1 6 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.610 0.260 19235 4021 1 6 . 1 1 64 64 ASN H H 64 4.547 4.547 7.048 -2.501 19235 4022 1 6 . 1 1 65 65 LYS N N 65 116.786 116.786 116.078 0.708 19235 4023 1 6 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.541 0.272 19235 4024 1 6 . 1 1 65 65 LYS C C 65 176.349 176.349 175.141 1.208 19235 4025 1 6 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.495 1.533 19235 4026 1 6 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.814 0.622 19235 4027 1 6 . 1 1 65 65 LYS H H 65 8.222 8.222 8.101 0.121 19235 4028 1 6 . 1 1 66 66 THR N N 66 114.184 114.184 116.772 -2.588 19235 4029 1 6 . 1 1 66 66 THR HA H 66 5.462 5.462 5.400 0.062 19235 4030 1 6 . 1 1 66 66 THR C C 66 173.770 173.770 172.873 0.897 19235 4031 1 6 . 1 1 66 66 THR CA C 66 62.725 62.725 61.634 1.091 19235 4032 1 6 . 1 1 66 66 THR CB C 66 73.439 73.439 72.111 1.328 19235 4033 1 6 . 1 1 66 66 THR H H 66 8.667 8.667 7.916 0.751 19235 4034 1 6 . 1 1 67 67 VAL N N 67 127.075 127.075 127.090 -0.015 19235 4035 1 6 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.793 -0.087 19235 4036 1 6 . 1 1 67 67 VAL C C 67 176.093 176.093 174.118 1.975 19235 4037 1 6 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.653 1.305 19235 4038 1 6 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.290 0.887 19235 4039 1 6 . 1 1 67 67 VAL H H 67 8.777 8.777 8.739 0.038 19235 4040 1 6 . 1 1 68 68 CYS N N 68 122.749 122.749 127.179 -4.430 19235 4041 1 6 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.328 0.155 19235 4042 1 6 . 1 1 68 68 CYS C C 68 174.607 174.607 173.525 1.082 19235 4043 1 6 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.735 0.402 19235 4044 1 6 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.924 0.750 19235 4045 1 6 . 1 1 68 68 CYS H H 68 8.987 8.987 8.747 0.240 19235 4046 1 6 . 1 1 69 69 TRP N N 69 123.217 123.217 127.941 -4.724 19235 4047 1 6 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.769 0.543 19235 4048 1 6 . 1 1 69 69 TRP C C 69 178.064 178.064 175.511 2.553 19235 4049 1 6 . 1 1 69 69 TRP CA C 69 52.798 52.798 53.907 -1.109 19235 4050 1 6 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.028 4.112 19235 4051 1 6 . 1 1 69 69 TRP H H 69 9.612 9.612 9.387 0.225 19235 4052 1 6 . 1 1 70 70 GLN N N 70 122.556 122.556 121.166 1.390 19235 4053 1 6 . 1 1 70 70 GLN HA H 70 5.284 5.284 5.002 0.282 19235 4054 1 6 . 1 1 70 70 GLN C C 70 176.295 176.295 174.889 1.406 19235 4055 1 6 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.274 0.612 19235 4056 1 6 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.810 0.466 19235 4057 1 6 . 1 1 70 70 GLN H H 70 10.132 10.132 9.216 0.916 19235 4058 1 6 . 1 1 71 71 HIS N N 71 128.443 128.443 127.688 0.755 19235 4059 1 6 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.489 -0.503 19235 4060 1 6 . 1 1 71 71 HIS C C 71 175.251 175.251 173.925 1.326 19235 4061 1 6 . 1 1 71 71 HIS CA C 71 60.992 60.992 58.013 2.979 19235 4062 1 6 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.160 0.066 19235 4063 1 6 . 1 1 71 71 HIS H H 71 8.947 8.947 8.762 0.185 19235 4064 1 6 . 1 1 72 72 ALA N N 72 131.788 131.788 127.051 4.737 19235 4065 1 6 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.594 0.113 19235 4066 1 6 . 1 1 72 72 ALA C C 72 176.274 176.274 174.531 1.743 19235 4067 1 6 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.462 -0.961 19235 4068 1 6 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.254 -0.882 19235 4069 1 6 . 1 1 72 72 ALA H H 72 7.954 7.954 7.945 0.009 19235 4070 1 6 . 1 1 73 73 GLY N N 73 107.065 107.065 107.999 -0.934 19235 4071 1 6 . 1 1 73 73 GLY C C 73 175.476 175.476 172.915 2.561 19235 4072 1 6 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.298 -0.391 19235 4073 1 6 . 1 1 73 73 GLY H H 73 8.037 8.037 7.929 0.108 19235 4074 1 6 . 1 1 74 74 ASN N N 74 117.053 117.053 118.696 -1.643 19235 4075 1 6 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.822 0.436 19235 4076 1 6 . 1 1 74 74 ASN C C 74 175.858 175.858 175.428 0.430 19235 4077 1 6 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.110 -0.482 19235 4078 1 6 . 1 1 74 74 ASN CB C 74 39.618 39.618 39.036 0.582 19235 4079 1 6 . 1 1 74 74 ASN H H 74 8.214 8.214 8.630 -0.416 19235 4080 1 6 . 1 1 75 75 MET N N 75 118.795 118.795 120.753 -1.958 19235 4081 1 6 . 1 1 75 75 MET HA H 75 4.972 4.972 4.457 0.515 19235 4082 1 6 . 1 1 75 75 MET C C 75 176.426 176.426 174.171 2.255 19235 4083 1 6 . 1 1 75 75 MET CA C 75 52.203 52.203 54.184 -1.981 19235 4084 1 6 . 1 1 75 75 MET CB C 75 35.318 35.318 32.421 2.897 19235 4085 1 6 . 1 1 75 75 MET H H 75 8.685 8.685 7.640 1.045 19235 4086 1 6 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.154 0.764 19235 4087 1 6 . 1 1 76 76 PRO C C 76 179.193 179.193 177.672 1.521 19235 4088 1 6 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.818 0.078 19235 4089 1 6 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.905 0.964 19235 4090 1 6 . 1 1 77 77 GLU N N 77 124.888 124.888 121.311 3.577 19235 4091 1 6 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.854 -0.052 19235 4092 1 6 . 1 1 77 77 GLU C C 77 181.035 181.035 178.239 2.796 19235 4093 1 6 . 1 1 77 77 GLU CA C 77 60.350 60.350 60.435 -0.085 19235 4094 1 6 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.261 -0.094 19235 4095 1 6 . 1 1 77 77 GLU H H 77 9.141 9.141 8.768 0.373 19235 4096 1 6 . 1 1 78 78 SER N N 78 111.049 111.049 112.915 -1.866 19235 4097 1 6 . 1 1 78 78 SER HA H 78 4.335 4.335 4.171 0.164 19235 4098 1 6 . 1 1 78 78 SER C C 78 174.864 174.864 175.376 -0.512 19235 4099 1 6 . 1 1 78 78 SER CA C 78 60.184 60.184 60.518 -0.334 19235 4100 1 6 . 1 1 78 78 SER CB C 78 63.543 63.543 62.556 0.987 19235 4101 1 6 . 1 1 78 78 SER H H 78 8.349 8.349 8.177 0.172 19235 4102 1 6 . 1 1 79 79 TRP N N 79 115.554 115.554 120.253 -4.699 19235 4103 1 6 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.743 -0.428 19235 4104 1 6 . 1 1 79 79 TRP C C 79 178.135 178.135 177.781 0.354 19235 4105 1 6 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.494 -1.830 19235 4106 1 6 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.658 -2.702 19235 4107 1 6 . 1 1 79 79 TRP H H 79 7.492 7.492 7.556 -0.064 19235 4108 1 6 . 1 1 80 80 MET N N 80 123.060 123.060 119.534 3.526 19235 4109 1 6 . 1 1 80 80 MET HA H 80 4.677 4.677 4.836 -0.159 19235 4110 1 6 . 1 1 80 80 MET C C 80 179.026 179.026 179.081 -0.055 19235 4111 1 6 . 1 1 80 80 MET CA C 80 58.410 58.410 59.030 -0.620 19235 4112 1 6 . 1 1 80 80 MET CB C 80 32.136 32.136 33.285 -1.149 19235 4113 1 6 . 1 1 80 80 MET H H 80 7.570 7.570 8.201 -0.631 19235 4114 1 6 . 1 1 81 81 GLY N N 81 112.489 112.489 107.958 4.531 19235 4115 1 6 . 1 1 81 81 GLY C C 81 176.316 176.316 173.859 2.457 19235 4116 1 6 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.751 1.105 19235 4117 1 6 . 1 1 81 81 GLY H H 81 9.025 9.025 8.029 0.996 19235 4118 1 6 . 1 1 82 82 THR N N 82 110.515 110.515 111.843 -1.328 19235 4119 1 6 . 1 1 82 82 THR HA H 82 4.925 4.925 4.511 0.414 19235 4120 1 6 . 1 1 82 82 THR C C 82 175.233 175.233 173.115 2.118 19235 4121 1 6 . 1 1 82 82 THR CA C 82 61.666 61.666 59.995 1.671 19235 4122 1 6 . 1 1 82 82 THR CB C 82 72.105 72.105 71.547 0.558 19235 4123 1 6 . 1 1 82 82 THR H H 82 8.201 8.201 7.787 0.414 19235 4124 1 6 . 1 1 83 83 GLU N N 83 117.578 117.578 120.717 -3.139 19235 4125 1 6 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.225 0.079 19235 4126 1 6 . 1 1 83 83 GLU C C 83 175.305 175.305 174.620 0.685 19235 4127 1 6 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.959 -0.130 19235 4128 1 6 . 1 1 83 83 GLU CB C 83 33.779 33.779 34.288 -0.508 19235 4129 1 6 . 1 1 83 83 GLU H H 83 8.098 8.098 8.408 -0.310 19235 4130 1 6 . 1 1 84 84 ILE N N 84 122.729 122.729 120.849 1.880 19235 4131 1 6 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.663 0.181 19235 4132 1 6 . 1 1 84 84 ILE C C 84 175.731 175.731 174.166 1.565 19235 4133 1 6 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.661 -0.529 19235 4134 1 6 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.648 -0.183 19235 4135 1 6 . 1 1 84 84 ILE H H 84 9.191 9.191 8.963 0.228 19235 4136 1 6 . 1 1 85 85 SER N N 85 119.684 119.684 119.839 -0.155 19235 4137 1 6 . 1 1 85 85 SER HA H 85 5.269 5.269 4.904 0.365 19235 4138 1 6 . 1 1 85 85 SER C C 85 173.140 173.140 172.970 0.170 19235 4139 1 6 . 1 1 85 85 SER CA C 85 55.616 55.616 55.742 -0.126 19235 4140 1 6 . 1 1 85 85 SER CB C 85 66.396 66.396 64.932 1.464 19235 4141 1 6 . 1 1 85 85 SER H H 85 8.264 8.264 8.438 -0.174 19235 4142 1 6 . 1 1 86 86 PHE N N 86 120.734 120.734 125.243 -4.509 19235 4143 1 6 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.009 -0.201 19235 4144 1 6 . 1 1 86 86 PHE C C 86 175.882 175.882 174.557 1.325 19235 4145 1 6 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.314 -0.169 19235 4146 1 6 . 1 1 86 86 PHE CB C 86 41.089 41.089 39.670 1.419 19235 4147 1 6 . 1 1 86 86 PHE H H 86 9.202 9.202 9.158 0.044 19235 4148 1 6 . 1 1 87 87 GLN N N 87 120.452 120.452 124.359 -3.907 19235 4149 1 6 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.084 0.337 19235 4150 1 6 . 1 1 87 87 GLN C C 87 176.561 176.561 174.708 1.853 19235 4151 1 6 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.127 -0.177 19235 4152 1 6 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.294 0.407 19235 4153 1 6 . 1 1 87 87 GLN H H 87 8.663 8.663 8.762 -0.099 19235 4154 1 6 . 1 1 88 88 LEU N N 88 126.610 126.610 129.205 -2.595 19235 4155 1 6 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.126 0.324 19235 4156 1 6 . 1 1 88 88 LEU C C 88 178.015 178.015 176.772 1.243 19235 4157 1 6 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.049 0.237 19235 4158 1 6 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.047 -1.082 19235 4159 1 6 . 1 1 88 88 LEU H H 88 9.315 9.315 8.845 0.470 19235 4160 1 6 . 1 1 89 89 GLU N N 89 123.568 123.568 124.684 -1.116 19235 4161 1 6 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.695 0.097 19235 4162 1 6 . 1 1 89 89 GLU C C 89 176.006 176.006 175.443 0.563 19235 4163 1 6 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.486 0.972 19235 4164 1 6 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.922 -0.297 19235 4165 1 6 . 1 1 89 89 GLU H H 89 8.862 8.862 9.148 -0.286 19235 4166 1 6 . 1 1 90 90 THR N N 90 124.266 124.266 123.110 1.156 19235 4167 1 6 . 1 1 90 90 THR HA H 90 4.828 4.828 4.057 0.771 19235 4168 1 6 . 1 1 90 90 THR C C 90 175.572 175.572 174.038 1.534 19235 4169 1 6 . 1 1 90 90 THR CA C 90 63.397 63.397 63.790 -0.393 19235 4170 1 6 . 1 1 90 90 THR CB C 90 69.628 69.628 69.264 0.364 19235 4171 1 6 . 1 1 90 90 THR H H 90 9.120 9.120 8.578 0.542 19235 4172 1 6 . 1 1 91 91 VAL N N 91 125.506 125.506 126.041 -0.535 19235 4173 1 6 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.143 0.354 19235 4174 1 6 . 1 1 91 91 VAL C C 91 176.665 176.665 175.578 1.087 19235 4175 1 6 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.963 1.228 19235 4176 1 6 . 1 1 91 91 VAL CB C 91 33.502 33.502 34.078 -0.576 19235 4177 1 6 . 1 1 91 91 VAL H H 91 8.729 8.729 8.102 0.627 19235 4178 1 6 . 1 1 92 92 GLU C C 92 177.778 177.778 176.874 0.904 19235 4179 1 6 . 1 1 93 93 ASN N N 93 115.899 115.899 115.541 0.358 19235 4180 1 6 . 1 1 93 93 ASN C C 93 174.644 174.644 175.279 -0.635 19235 4181 1 6 . 1 1 93 93 ASN H H 93 8.372 8.372 8.269 0.103 19235 4182 1 6 . 1 1 94 94 GLN N N 94 114.412 114.412 116.661 -2.249 19235 4183 1 6 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.520 0.098 19235 4184 1 6 . 1 1 94 94 GLN C C 94 173.810 173.810 174.109 -0.299 19235 4185 1 6 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.645 0.018 19235 4186 1 6 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.554 -2.775 19235 4187 1 6 . 1 1 94 94 GLN H H 94 7.505 7.505 7.654 -0.149 19235 4188 1 6 . 1 1 95 95 THR N N 95 117.223 117.223 116.624 0.599 19235 4189 1 6 . 1 1 95 95 THR HA H 95 4.889 4.889 4.835 0.054 19235 4190 1 6 . 1 1 95 95 THR C C 95 175.599 175.599 173.471 2.128 19235 4191 1 6 . 1 1 95 95 THR CA C 95 61.633 61.633 61.727 -0.094 19235 4192 1 6 . 1 1 95 95 THR CB C 95 70.071 70.071 70.762 -0.691 19235 4193 1 6 . 1 1 95 95 THR H H 95 8.975 8.975 8.518 0.457 19235 4194 1 6 . 1 1 96 96 PHE N N 96 125.360 125.360 125.902 -0.542 19235 4195 1 6 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.992 -0.260 19235 4196 1 6 . 1 1 96 96 PHE C C 96 176.859 176.859 175.117 1.742 19235 4197 1 6 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.551 3.629 19235 4198 1 6 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.102 -0.008 19235 4199 1 6 . 1 1 96 96 PHE H H 96 9.499 9.499 9.271 0.228 19235 4200 1 6 . 1 1 97 97 VAL N N 97 122.027 122.027 124.098 -2.071 19235 4201 1 6 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.357 0.160 19235 4202 1 6 . 1 1 97 97 VAL C C 97 175.876 175.876 175.216 0.660 19235 4203 1 6 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.688 -0.325 19235 4204 1 6 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.892 -0.513 19235 4205 1 6 . 1 1 97 97 VAL H H 97 9.394 9.394 9.148 0.246 19235 4206 1 6 . 1 1 98 98 ARG N N 98 126.680 126.680 127.336 -0.656 19235 4207 1 6 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.809 -0.618 19235 4208 1 6 . 1 1 98 98 ARG C C 98 176.185 176.185 174.622 1.563 19235 4209 1 6 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.820 -0.019 19235 4210 1 6 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.360 -1.860 19235 4211 1 6 . 1 1 98 98 ARG H H 98 9.245 9.245 9.195 0.050 19235 4212 1 6 . 1 1 99 99 PHE N N 99 131.125 131.125 128.316 2.809 19235 4213 1 6 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.096 -0.224 19235 4214 1 6 . 1 1 99 99 PHE C C 99 174.793 174.793 173.674 1.119 19235 4215 1 6 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.598 0.129 19235 4216 1 6 . 1 1 99 99 PHE CB C 99 42.571 42.571 41.480 1.091 19235 4217 1 6 . 1 1 99 99 PHE H H 99 8.723 8.723 8.962 -0.239 19235 4218 1 6 . 1 1 100 100 THR N N 100 124.512 124.512 126.382 -1.870 19235 4219 1 6 . 1 1 100 100 THR HA H 100 5.062 5.062 5.102 -0.040 19235 4220 1 6 . 1 1 100 100 THR C C 100 173.105 173.105 172.196 0.909 19235 4221 1 6 . 1 1 100 100 THR CA C 100 59.971 59.971 60.937 -0.966 19235 4222 1 6 . 1 1 100 100 THR CB C 100 71.127 71.127 70.502 0.625 19235 4223 1 6 . 1 1 100 100 THR H H 100 8.020 8.020 8.007 0.013 19235 4224 1 6 . 1 1 101 101 HIS N N 101 127.719 127.719 127.351 0.368 19235 4225 1 6 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.499 -0.456 19235 4226 1 6 . 1 1 101 101 HIS C C 101 176.440 176.440 173.555 2.885 19235 4227 1 6 . 1 1 101 101 HIS CA C 101 52.905 52.905 54.441 -1.536 19235 4228 1 6 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.990 -0.655 19235 4229 1 6 . 1 1 101 101 HIS H H 101 8.714 8.714 9.187 -0.473 19235 4230 1 6 . 1 1 102 102 SER N N 102 121.048 121.048 122.782 -1.734 19235 4231 1 6 . 1 1 102 102 SER HA H 102 5.023 5.023 4.920 0.103 19235 4232 1 6 . 1 1 102 102 SER C C 102 175.564 175.564 173.715 1.849 19235 4233 1 6 . 1 1 102 102 SER CA C 102 57.264 57.264 56.916 0.348 19235 4234 1 6 . 1 1 102 102 SER CB C 102 66.564 66.564 65.382 1.182 19235 4235 1 6 . 1 1 102 102 SER H H 102 9.804 9.804 7.646 2.158 19235 4236 1 6 . 1 1 103 103 ASN N N 103 110.931 110.931 114.753 -3.822 19235 4237 1 6 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.310 0.082 19235 4238 1 6 . 1 1 103 103 ASN C C 103 176.631 176.631 173.856 2.775 19235 4239 1 6 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.288 0.098 19235 4240 1 6 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.416 0.117 19235 4241 1 6 . 1 1 103 103 ASN H H 103 8.304 8.304 8.577 -0.273 19235 4242 1 6 . 1 1 104 104 TRP N N 104 119.944 119.944 119.537 0.407 19235 4243 1 6 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.854 -0.572 19235 4244 1 6 . 1 1 104 104 TRP C C 104 179.325 179.325 176.790 2.535 19235 4245 1 6 . 1 1 104 104 TRP CA C 104 58.316 58.316 57.142 1.174 19235 4246 1 6 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.025 -2.302 19235 4247 1 6 . 1 1 104 104 TRP H H 104 8.669 8.669 8.633 0.036 19235 4248 1 6 . 1 1 105 105 HIS N N 105 121.315 121.315 121.555 -0.240 19235 4249 1 6 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.635 -0.169 19235 4250 1 6 . 1 1 105 105 HIS C C 105 176.866 176.866 175.009 1.857 19235 4251 1 6 . 1 1 105 105 HIS CA C 105 59.426 59.426 57.713 1.713 19235 4252 1 6 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.952 0.066 19235 4253 1 6 . 1 1 105 105 HIS H H 105 8.919 8.919 9.045 -0.126 19235 4254 1 6 . 1 1 106 106 GLU N N 106 112.392 112.392 118.644 -6.252 19235 4255 1 6 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.609 -0.080 19235 4256 1 6 . 1 1 106 106 GLU C C 106 175.482 175.482 175.768 -0.286 19235 4257 1 6 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.522 -1.175 19235 4258 1 6 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.547 0.769 19235 4259 1 6 . 1 1 106 106 GLU H H 106 7.800 7.800 8.227 -0.427 19235 4260 1 6 . 1 1 107 107 THR N N 107 117.872 117.872 117.405 0.467 19235 4261 1 6 . 1 1 107 107 THR HA H 107 4.261 4.261 4.263 -0.002 19235 4262 1 6 . 1 1 107 107 THR C C 107 175.517 175.517 175.185 0.332 19235 4263 1 6 . 1 1 107 107 THR CA C 107 63.456 63.456 61.747 1.709 19235 4264 1 6 . 1 1 107 107 THR CB C 107 68.072 68.072 67.496 0.576 19235 4265 1 6 . 1 1 107 107 THR H H 107 8.668 8.668 8.550 0.118 19235 4266 1 6 . 1 1 108 108 THR N N 108 116.177 116.177 114.675 1.502 19235 4267 1 6 . 1 1 108 108 THR HA H 108 4.720 4.720 4.554 0.166 19235 4268 1 6 . 1 1 108 108 THR C C 108 176.376 176.376 175.337 1.039 19235 4269 1 6 . 1 1 108 108 THR CA C 108 59.356 59.356 60.204 -0.848 19235 4270 1 6 . 1 1 108 108 THR CB C 108 73.275 73.275 71.192 2.083 19235 4271 1 6 . 1 1 108 108 THR H H 108 6.802 6.802 7.884 -1.082 19235 4272 1 6 . 1 1 109 109 ASP C C 109 179.100 179.100 177.632 1.468 19235 4273 1 6 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.395 1.065 19235 4274 1 6 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.122 0.046 19235 4275 1 6 . 1 1 110 110 PHE N N 110 119.151 119.151 121.004 -1.853 19235 4276 1 6 . 1 1 110 110 PHE HA H 110 4.551 4.551 4.062 0.489 19235 4277 1 6 . 1 1 110 110 PHE C C 110 179.054 179.054 176.895 2.159 19235 4278 1 6 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.493 0.218 19235 4279 1 6 . 1 1 110 110 PHE CB C 110 38.427 38.427 39.213 -0.786 19235 4280 1 6 . 1 1 110 110 PHE H H 110 8.463 8.463 7.492 0.971 19235 4281 1 6 . 1 1 111 111 MET N N 111 122.801 122.801 118.990 3.811 19235 4282 1 6 . 1 1 111 111 MET HA H 111 3.061 3.061 3.281 -0.220 19235 4283 1 6 . 1 1 111 111 MET C C 111 178.661 178.661 177.441 1.220 19235 4284 1 6 . 1 1 111 111 MET CA C 111 59.888 59.888 57.273 2.615 19235 4285 1 6 . 1 1 111 111 MET CB C 111 31.587 31.587 31.257 0.330 19235 4286 1 6 . 1 1 111 111 MET H H 111 8.261 8.261 7.358 0.903 19235 4287 1 6 . 1 1 112 112 ALA N N 112 121.236 121.236 121.713 -0.477 19235 4288 1 6 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.620 0.217 19235 4289 1 6 . 1 1 112 112 ALA C C 112 179.201 179.201 179.107 0.094 19235 4290 1 6 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.910 -0.121 19235 4291 1 6 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.925 0.238 19235 4292 1 6 . 1 1 112 112 ALA H H 112 7.744 7.744 7.651 0.093 19235 4293 1 6 . 1 1 113 113 HIS N N 113 116.411 116.411 117.314 -0.903 19235 4294 1 6 . 1 1 113 113 HIS HA H 113 4.333 4.333 3.959 0.373 19235 4295 1 6 . 1 1 113 113 HIS C C 113 178.145 178.145 177.628 0.517 19235 4296 1 6 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.465 1.736 19235 4297 1 6 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.567 0.274 19235 4298 1 6 . 1 1 113 113 HIS H H 113 8.275 8.275 7.778 0.497 19235 4299 1 6 . 1 1 114 114 CYS N N 114 114.740 114.740 116.855 -2.115 19235 4300 1 6 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.343 0.618 19235 4301 1 6 . 1 1 114 114 CYS C C 114 177.431 177.431 175.674 1.757 19235 4302 1 6 . 1 1 114 114 CYS CA C 114 63.491 63.491 62.993 0.498 19235 4303 1 6 . 1 1 114 114 CYS CB C 114 26.608 26.608 25.822 0.786 19235 4304 1 6 . 1 1 114 114 CYS H H 114 8.456 8.456 7.652 0.804 19235 4305 1 6 . 1 1 115 115 ASN N N 115 120.985 120.985 118.379 2.606 19235 4306 1 6 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.151 0.558 19235 4307 1 6 . 1 1 115 115 ASN C C 115 179.521 179.521 177.160 2.361 19235 4308 1 6 . 1 1 115 115 ASN CA C 115 58.086 58.086 55.931 2.155 19235 4309 1 6 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.183 0.736 19235 4310 1 6 . 1 1 115 115 ASN H H 115 8.983 8.983 7.650 1.333 19235 4311 1 6 . 1 1 116 116 THR N N 116 119.651 119.651 116.682 2.969 19235 4312 1 6 . 1 1 116 116 THR HA H 116 4.227 4.227 3.684 0.543 19235 4313 1 6 . 1 1 116 116 THR C C 116 177.405 177.405 176.463 0.942 19235 4314 1 6 . 1 1 116 116 THR CA C 116 67.150 67.150 66.584 0.566 19235 4315 1 6 . 1 1 116 116 THR CB C 116 68.365 68.365 68.597 -0.233 19235 4316 1 6 . 1 1 116 116 THR H H 116 8.704 8.704 7.737 0.967 19235 4317 1 6 . 1 1 117 117 LYS N N 117 121.343 121.343 121.356 -0.013 19235 4318 1 6 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.486 0.794 19235 4319 1 6 . 1 1 117 117 LYS C C 117 180.250 180.250 178.371 1.879 19235 4320 1 6 . 1 1 117 117 LYS CA C 117 57.102 57.102 58.955 -1.853 19235 4321 1 6 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.657 -1.171 19235 4322 1 6 . 1 1 117 117 LYS H H 117 9.148 9.148 7.537 1.611 19235 4323 1 6 . 1 1 118 118 TRP N N 118 117.603 117.603 119.861 -2.258 19235 4324 1 6 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.181 0.699 19235 4325 1 6 . 1 1 118 118 TRP C C 118 180.118 180.118 178.359 1.759 19235 4326 1 6 . 1 1 118 118 TRP CA C 118 59.768 59.768 59.009 0.759 19235 4327 1 6 . 1 1 118 118 TRP CB C 118 30.516 30.516 28.226 2.290 19235 4328 1 6 . 1 1 118 118 TRP H H 118 9.212 9.212 7.890 1.322 19235 4329 1 6 . 1 1 119 119 ALA N N 119 117.358 117.358 121.122 -3.764 19235 4330 1 6 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.975 -0.552 19235 4331 1 6 . 1 1 119 119 ALA C C 119 179.726 179.726 179.804 -0.078 19235 4332 1 6 . 1 1 119 119 ALA CA C 119 55.525 55.525 55.012 0.513 19235 4333 1 6 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.916 0.474 19235 4334 1 6 . 1 1 119 119 ALA H H 119 7.132 7.132 7.438 -0.306 19235 4335 1 6 . 1 1 120 120 VAL N N 120 112.004 112.004 118.996 -6.992 19235 4336 1 6 . 1 1 120 120 VAL H H 120 7.188 7.188 7.234 -0.046 19235 4337 1 6 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.306 0.759 19235 4338 1 6 . 1 1 121 121 PHE C C 121 178.810 178.810 178.660 0.150 19235 4339 1 6 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.465 2.201 19235 4340 1 6 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.673 0.130 19235 4341 1 6 . 1 1 122 122 LEU N N 122 121.854 121.854 119.249 2.605 19235 4342 1 6 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.785 0.216 19235 4343 1 6 . 1 1 122 122 LEU C C 122 180.149 180.149 178.916 1.233 19235 4344 1 6 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.492 0.087 19235 4345 1 6 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.709 -2.035 19235 4346 1 6 . 1 1 122 122 LEU H H 122 8.598 8.598 8.142 0.456 19235 4347 1 6 . 1 1 123 123 LEU N N 123 120.284 120.284 120.804 -0.520 19235 4348 1 6 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.848 0.162 19235 4349 1 6 . 1 1 123 123 LEU C C 123 179.701 179.701 178.249 1.452 19235 4350 1 6 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.177 -0.286 19235 4351 1 6 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.416 -1.183 19235 4352 1 6 . 1 1 123 123 LEU H H 123 8.154 8.154 8.266 -0.112 19235 4353 1 6 . 1 1 124 124 SER N N 124 113.478 113.478 115.042 -1.564 19235 4354 1 6 . 1 1 124 124 SER HA H 124 4.586 4.586 4.124 0.462 19235 4355 1 6 . 1 1 124 124 SER C C 124 177.749 177.749 176.578 1.171 19235 4356 1 6 . 1 1 124 124 SER CA C 124 60.660 60.660 61.599 -0.939 19235 4357 1 6 . 1 1 124 124 SER CB C 124 62.601 62.601 63.195 -0.594 19235 4358 1 6 . 1 1 124 124 SER H H 124 7.537 7.537 8.026 -0.489 19235 4359 1 6 . 1 1 125 125 LEU N N 125 120.955 120.955 122.893 -1.938 19235 4360 1 6 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.467 0.199 19235 4361 1 6 . 1 1 125 125 LEU C C 125 177.940 177.940 177.588 0.352 19235 4362 1 6 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.369 1.153 19235 4363 1 6 . 1 1 125 125 LEU CB C 125 39.723 39.723 40.874 -1.151 19235 4364 1 6 . 1 1 125 125 LEU H H 125 8.021 8.021 8.010 0.011 19235 4365 1 6 . 1 1 126 126 LYS N N 126 118.428 118.428 119.321 -0.893 19235 4366 1 6 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.906 0.665 19235 4367 1 6 . 1 1 126 126 LYS C C 126 178.885 178.885 178.595 0.290 19235 4368 1 6 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.793 0.373 19235 4369 1 6 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.090 1.006 19235 4370 1 6 . 1 1 126 126 LYS H H 126 7.899 7.899 7.965 -0.066 19235 4371 1 6 . 1 1 127 127 ASP N N 127 119.536 119.536 119.956 -0.420 19235 4372 1 6 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.466 0.067 19235 4373 1 6 . 1 1 127 127 ASP C C 127 180.864 180.864 178.476 2.388 19235 4374 1 6 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.143 0.603 19235 4375 1 6 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.388 -0.552 19235 4376 1 6 . 1 1 127 127 ASP H H 127 8.620 8.620 8.025 0.595 19235 4377 1 6 . 1 1 128 128 ALA N N 128 123.280 123.280 122.805 0.475 19235 4378 1 6 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.190 -0.463 19235 4379 1 6 . 1 1 128 128 ALA C C 128 181.336 181.336 179.553 1.783 19235 4380 1 6 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.324 0.196 19235 4381 1 6 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.743 -1.595 19235 4382 1 6 . 1 1 128 128 ALA H H 128 9.439 9.439 8.135 1.304 19235 4383 1 6 . 1 1 129 129 LEU N N 129 115.298 115.298 118.153 -2.855 19235 4384 1 6 . 1 1 129 129 LEU HA H 129 4.205 4.205 3.982 0.223 19235 4385 1 6 . 1 1 129 129 LEU C C 129 179.484 179.484 178.708 0.776 19235 4386 1 6 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.597 -1.945 19235 4387 1 6 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.908 -0.389 19235 4388 1 6 . 1 1 129 129 LEU H H 129 7.664 7.664 7.777 -0.113 19235 4389 1 6 . 1 1 130 130 GLU N N 130 117.821 117.821 118.270 -0.449 19235 4390 1 6 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.099 0.199 19235 4391 1 6 . 1 1 130 130 GLU C C 130 179.567 179.567 177.976 1.591 19235 4392 1 6 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.724 0.160 19235 4393 1 6 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.378 0.423 19235 4394 1 6 . 1 1 130 130 GLU H H 130 8.605 8.605 7.919 0.686 19235 4395 1 6 . 1 1 131 131 ILE N N 131 112.140 112.140 116.085 -3.945 19235 4396 1 6 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.282 0.432 19235 4397 1 6 . 1 1 131 131 ILE C C 131 178.233 178.233 177.188 1.045 19235 4398 1 6 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.716 -0.723 19235 4399 1 6 . 1 1 131 131 ILE CB C 131 39.576 39.576 40.177 -0.601 19235 4400 1 6 . 1 1 131 131 ILE H H 131 8.552 8.552 7.790 0.762 19235 4401 1 6 . 1 1 132 132 GLY N N 132 108.998 108.998 107.433 1.565 19235 4402 1 6 . 1 1 132 132 GLY C C 132 174.957 174.957 174.843 0.114 19235 4403 1 6 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.021 1.058 19235 4404 1 6 . 1 1 132 132 GLY H H 132 7.269 7.269 8.305 -1.036 19235 4405 1 6 . 1 1 133 133 LYS N N 133 120.920 120.920 120.019 0.901 19235 4406 1 6 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.157 0.495 19235 4407 1 6 . 1 1 133 133 LYS C C 133 175.857 175.857 177.922 -2.065 19235 4408 1 6 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.406 -1.645 19235 4409 1 6 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.752 1.213 19235 4410 1 6 . 1 1 133 133 LYS H H 133 7.024 7.024 7.831 -0.807 19235 4411 1 7 . 1 1 2 2 VAL N N 2 117.791 117.791 122.707 -4.916 19235 4412 1 7 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.436 0.010 19235 4413 1 7 . 1 1 2 2 VAL C C 2 174.276 174.276 174.210 0.066 19235 4414 1 7 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.811 -1.109 19235 4415 1 7 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.007 2.156 19235 4416 1 7 . 1 1 2 2 VAL H H 2 8.851 8.851 8.604 0.247 19235 4417 1 7 . 1 1 3 3 ASN N N 3 117.814 117.814 122.353 -4.539 19235 4418 1 7 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.573 -0.122 19235 4419 1 7 . 1 1 3 3 ASN C C 3 175.197 175.197 174.160 1.037 19235 4420 1 7 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.682 -0.224 19235 4421 1 7 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.952 -0.772 19235 4422 1 7 . 1 1 3 3 ASN H H 3 8.262 8.262 8.488 -0.226 19235 4423 1 7 . 1 1 4 4 ILE N N 4 121.231 121.231 120.112 1.119 19235 4424 1 7 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.277 -0.315 19235 4425 1 7 . 1 1 4 4 ILE C C 4 175.278 175.278 174.606 0.672 19235 4426 1 7 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.632 0.379 19235 4427 1 7 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.126 0.212 19235 4428 1 7 . 1 1 4 4 ILE H H 4 8.533 8.533 8.867 -0.334 19235 4429 1 7 . 1 1 5 5 ASN N N 5 125.228 125.228 126.776 -1.548 19235 4430 1 7 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.560 0.006 19235 4431 1 7 . 1 1 5 5 ASN C C 5 174.061 174.061 174.143 -0.082 19235 4432 1 7 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.341 0.319 19235 4433 1 7 . 1 1 5 5 ASN CB C 5 41.661 41.661 40.633 1.028 19235 4434 1 7 . 1 1 5 5 ASN H H 5 8.109 8.109 8.819 -0.710 19235 4435 1 7 . 1 1 6 6 HIS N N 6 120.724 120.724 125.772 -5.048 19235 4436 1 7 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.879 0.406 19235 4437 1 7 . 1 1 6 6 HIS C C 6 177.102 177.102 173.087 4.015 19235 4438 1 7 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.864 -0.237 19235 4439 1 7 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.039 5.525 19235 4440 1 7 . 1 1 6 6 HIS H H 6 9.450 9.450 9.134 0.316 19235 4441 1 7 . 1 1 7 7 ARG N N 7 124.674 124.674 124.389 0.285 19235 4442 1 7 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.503 -0.664 19235 4443 1 7 . 1 1 7 7 ARG C C 7 174.633 174.633 174.958 -0.325 19235 4444 1 7 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.307 2.293 19235 4445 1 7 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.456 0.126 19235 4446 1 7 . 1 1 7 7 ARG H H 7 8.973 8.973 7.843 1.130 19235 4447 1 7 . 1 1 8 8 ILE N N 8 120.886 120.886 122.293 -1.407 19235 4448 1 7 . 1 1 8 8 ILE H H 8 8.405 8.405 8.935 -0.530 19235 4449 1 7 . 1 1 10 10 ILE N N 10 120.117 120.117 122.325 -2.208 19235 4450 1 7 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.577 -0.894 19235 4451 1 7 . 1 1 10 10 ILE C C 10 177.081 177.081 175.401 1.680 19235 4452 1 7 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.016 -0.213 19235 4453 1 7 . 1 1 10 10 ILE CB C 10 40.775 40.775 42.062 -1.287 19235 4454 1 7 . 1 1 10 10 ILE H H 10 8.604 8.604 8.864 -0.261 19235 4455 1 7 . 1 1 11 11 LYS N N 11 133.535 133.535 127.332 6.203 19235 4456 1 7 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.308 0.183 19235 4457 1 7 . 1 1 11 11 LYS C C 11 174.943 174.943 175.025 -0.082 19235 4458 1 7 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.419 -1.315 19235 4459 1 7 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.558 -1.477 19235 4460 1 7 . 1 1 11 11 LYS H H 11 10.550 10.550 8.951 1.599 19235 4461 1 7 . 1 1 12 12 ALA N N 12 123.135 123.135 122.851 0.284 19235 4462 1 7 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.647 -0.126 19235 4463 1 7 . 1 1 12 12 ALA C C 12 176.178 176.178 175.150 1.028 19235 4464 1 7 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.486 -0.722 19235 4465 1 7 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.119 -0.092 19235 4466 1 7 . 1 1 12 12 ALA H H 12 7.933 7.933 8.185 -0.252 19235 4467 1 7 . 1 1 13 13 SER N N 13 116.710 116.710 114.342 2.368 19235 4468 1 7 . 1 1 13 13 SER HA H 13 4.588 4.588 4.790 -0.202 19235 4469 1 7 . 1 1 13 13 SER C C 13 174.197 174.197 174.455 -0.258 19235 4470 1 7 . 1 1 13 13 SER CA C 13 56.147 56.147 56.043 0.104 19235 4471 1 7 . 1 1 13 13 SER CB C 13 62.656 62.656 63.295 -0.639 19235 4472 1 7 . 1 1 13 13 SER H H 13 8.492 8.492 8.507 -0.015 19235 4473 1 7 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.344 -0.292 19235 4474 1 7 . 1 1 14 14 PRO C C 14 178.833 178.833 178.398 0.435 19235 4475 1 7 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.029 0.518 19235 4476 1 7 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.909 -0.600 19235 4477 1 7 . 1 1 15 15 GLU N N 15 116.821 116.821 119.929 -3.108 19235 4478 1 7 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.451 -0.183 19235 4479 1 7 . 1 1 15 15 GLU C C 15 180.574 180.574 178.901 1.673 19235 4480 1 7 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.552 0.113 19235 4481 1 7 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.014 -0.410 19235 4482 1 7 . 1 1 15 15 GLU H H 15 8.821 8.821 8.557 0.264 19235 4483 1 7 . 1 1 16 16 LYS N N 16 120.446 120.446 120.178 0.268 19235 4484 1 7 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.161 -0.130 19235 4485 1 7 . 1 1 16 16 LYS C C 16 181.277 181.277 179.276 2.001 19235 4486 1 7 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.627 -0.895 19235 4487 1 7 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.640 -0.723 19235 4488 1 7 . 1 1 16 16 LYS H H 16 7.634 7.634 7.936 -0.302 19235 4489 1 7 . 1 1 17 17 ILE N N 17 120.100 120.100 120.247 -0.147 19235 4490 1 7 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.727 -0.297 19235 4491 1 7 . 1 1 17 17 ILE C C 17 177.873 177.873 177.687 0.186 19235 4492 1 7 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.493 -0.444 19235 4493 1 7 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.186 -0.617 19235 4494 1 7 . 1 1 17 17 ILE H H 17 7.797 7.797 8.017 -0.220 19235 4495 1 7 . 1 1 18 18 TYR N N 18 119.139 119.139 120.150 -1.011 19235 4496 1 7 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.915 -0.152 19235 4497 1 7 . 1 1 18 18 TYR C C 18 181.847 181.847 177.814 4.033 19235 4498 1 7 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.161 0.515 19235 4499 1 7 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.450 0.756 19235 4500 1 7 . 1 1 18 18 TYR H H 18 9.072 9.072 8.004 1.068 19235 4501 1 7 . 1 1 19 19 GLN N N 19 120.579 120.579 117.878 2.701 19235 4502 1 7 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.898 -0.023 19235 4503 1 7 . 1 1 19 19 GLN C C 19 178.871 178.871 178.595 0.276 19235 4504 1 7 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.561 1.046 19235 4505 1 7 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.986 -0.804 19235 4506 1 7 . 1 1 19 19 GLN H H 19 8.330 8.330 8.255 0.075 19235 4507 1 7 . 1 1 20 20 ALA N N 20 121.903 121.903 120.316 1.587 19235 4508 1 7 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.200 -0.074 19235 4509 1 7 . 1 1 20 20 ALA C C 20 177.058 177.058 179.008 -1.950 19235 4510 1 7 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.898 -0.828 19235 4511 1 7 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.809 -0.871 19235 4512 1 7 . 1 1 20 20 ALA H H 20 7.451 7.451 7.999 -0.548 19235 4513 1 7 . 1 1 21 21 LEU N N 21 112.471 112.471 113.203 -0.732 19235 4514 1 7 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.492 -0.671 19235 4515 1 7 . 1 1 21 21 LEU C C 21 178.910 178.910 177.801 1.109 19235 4516 1 7 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.194 -0.692 19235 4517 1 7 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.325 1.886 19235 4518 1 7 . 1 1 21 21 LEU H H 21 7.061 7.061 7.317 -0.256 19235 4519 1 7 . 1 1 22 22 THR N N 22 100.722 100.722 107.684 -6.962 19235 4520 1 7 . 1 1 22 22 THR HA H 22 4.558 4.558 4.391 0.167 19235 4521 1 7 . 1 1 22 22 THR C C 22 175.792 175.792 174.644 1.148 19235 4522 1 7 . 1 1 22 22 THR CA C 22 61.081 61.081 61.256 -0.175 19235 4523 1 7 . 1 1 22 22 THR CB C 22 71.747 71.747 70.443 1.304 19235 4524 1 7 . 1 1 22 22 THR H H 22 7.069 7.069 7.500 -0.431 19235 4525 1 7 . 1 1 23 23 THR N N 23 109.777 109.777 119.348 -9.571 19235 4526 1 7 . 1 1 23 23 THR HA H 23 4.893 4.893 4.469 0.424 19235 4527 1 7 . 1 1 23 23 THR C C 23 174.449 174.449 173.989 0.460 19235 4528 1 7 . 1 1 23 23 THR CA C 23 58.343 58.343 61.426 -3.083 19235 4529 1 7 . 1 1 23 23 THR CB C 23 72.836 72.836 71.189 1.647 19235 4530 1 7 . 1 1 23 23 THR H H 23 7.308 7.308 7.693 -0.385 19235 4531 1 7 . 1 1 24 24 ASP N N 24 126.109 126.109 126.857 -0.748 19235 4532 1 7 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.148 0.088 19235 4533 1 7 . 1 1 24 24 ASP C C 24 179.062 179.062 177.376 1.686 19235 4534 1 7 . 1 1 24 24 ASP CA C 24 58.272 58.272 58.025 0.247 19235 4535 1 7 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.017 -0.235 19235 4536 1 7 . 1 1 24 24 ASP H H 24 9.248 9.248 8.910 0.338 19235 4537 1 7 . 1 1 25 25 ASP N N 25 114.688 114.688 116.172 -1.484 19235 4538 1 7 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.378 -0.108 19235 4539 1 7 . 1 1 25 25 ASP C C 25 179.453 179.453 178.000 1.453 19235 4540 1 7 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.413 0.692 19235 4541 1 7 . 1 1 25 25 ASP CB C 25 40.404 40.404 39.951 0.453 19235 4542 1 7 . 1 1 25 25 ASP H H 25 8.640 8.640 8.531 0.109 19235 4543 1 7 . 1 1 26 26 GLY N N 26 108.020 108.020 106.761 1.259 19235 4544 1 7 . 1 1 26 26 GLY C C 26 176.629 176.629 176.073 0.556 19235 4545 1 7 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.148 1.264 19235 4546 1 7 . 1 1 26 26 GLY H H 26 7.756 7.756 7.455 0.301 19235 4547 1 7 . 1 1 27 27 LEU N N 27 124.486 124.486 122.659 1.827 19235 4548 1 7 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.182 1.366 19235 4549 1 7 . 1 1 27 27 LEU C C 27 180.999 180.999 178.473 2.526 19235 4550 1 7 . 1 1 27 27 LEU CA C 27 58.155 58.155 56.723 1.432 19235 4551 1 7 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.540 2.768 19235 4552 1 7 . 1 1 27 27 LEU H H 27 8.401 8.401 7.885 0.516 19235 4553 1 7 . 1 1 28 28 LYS N N 28 118.482 118.482 117.996 0.486 19235 4554 1 7 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.105 0.160 19235 4555 1 7 . 1 1 28 28 LYS C C 28 179.269 179.269 177.583 1.686 19235 4556 1 7 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.381 -1.434 19235 4557 1 7 . 1 1 28 28 LYS CB C 28 33.645 33.645 31.999 1.646 19235 4558 1 7 . 1 1 28 28 LYS H H 28 7.864 7.864 7.638 0.226 19235 4559 1 7 . 1 1 29 29 LYS N N 29 113.309 113.309 116.217 -2.908 19235 4560 1 7 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.055 0.140 19235 4561 1 7 . 1 1 29 29 LYS C C 29 178.869 178.869 177.023 1.846 19235 4562 1 7 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.571 -0.745 19235 4563 1 7 . 1 1 29 29 LYS CB C 29 32.849 32.849 32.961 -0.112 19235 4564 1 7 . 1 1 29 29 LYS H H 29 7.666 7.666 7.098 0.568 19235 4565 1 7 . 1 1 30 30 TRP N N 30 108.469 108.469 114.623 -6.154 19235 4566 1 7 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.828 0.432 19235 4567 1 7 . 1 1 30 30 TRP C C 30 176.975 176.975 174.556 2.419 19235 4568 1 7 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.284 -0.692 19235 4569 1 7 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.357 2.091 19235 4570 1 7 . 1 1 30 30 TRP H H 30 7.427 7.427 7.179 0.248 19235 4571 1 7 . 1 1 31 31 TRP N N 31 124.489 124.489 121.212 3.277 19235 4572 1 7 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.514 0.717 19235 4573 1 7 . 1 1 31 31 TRP C C 31 175.907 175.907 176.150 -0.243 19235 4574 1 7 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.586 -0.899 19235 4575 1 7 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.770 -1.782 19235 4576 1 7 . 1 1 31 31 TRP H H 31 7.525 7.525 7.586 -0.061 19235 4577 1 7 . 1 1 32 32 THR N N 32 107.670 107.670 109.099 -1.429 19235 4578 1 7 . 1 1 32 32 THR HA H 32 5.064 5.064 4.620 0.444 19235 4579 1 7 . 1 1 32 32 THR C C 32 171.071 171.071 174.108 -3.037 19235 4580 1 7 . 1 1 32 32 THR CA C 32 57.486 57.486 60.125 -2.639 19235 4581 1 7 . 1 1 32 32 THR CB C 32 67.302 67.302 71.749 -4.447 19235 4582 1 7 . 1 1 32 32 THR H H 32 6.582 6.582 7.879 -1.297 19235 4583 1 7 . 1 1 33 33 ASN N N 33 118.705 118.705 116.815 1.890 19235 4584 1 7 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.803 -0.088 19235 4585 1 7 . 1 1 33 33 ASN C C 33 176.424 176.424 173.868 2.556 19235 4586 1 7 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.360 0.827 19235 4587 1 7 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.883 -1.005 19235 4588 1 7 . 1 1 33 33 ASN H H 33 8.281 8.281 8.623 -0.342 19235 4589 1 7 . 1 1 34 34 ASP N N 34 121.174 121.174 119.462 1.712 19235 4590 1 7 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.792 -0.062 19235 4591 1 7 . 1 1 34 34 ASP C C 34 174.163 174.163 173.579 0.584 19235 4592 1 7 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.525 -0.826 19235 4593 1 7 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.670 -1.230 19235 4594 1 7 . 1 1 34 34 ASP H H 34 6.751 6.751 7.773 -1.022 19235 4595 1 7 . 1 1 35 35 ILE N N 35 120.932 120.932 122.350 -1.418 19235 4596 1 7 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.668 -0.105 19235 4597 1 7 . 1 1 35 35 ILE C C 35 175.512 175.512 174.774 0.738 19235 4598 1 7 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.643 0.786 19235 4599 1 7 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.134 0.975 19235 4600 1 7 . 1 1 35 35 ILE H H 35 6.805 6.805 8.007 -1.202 19235 4601 1 7 . 1 1 36 36 SER N N 36 117.993 117.993 121.105 -3.112 19235 4602 1 7 . 1 1 36 36 SER HA H 36 4.600 4.600 4.842 -0.242 19235 4603 1 7 . 1 1 36 36 SER C C 36 174.509 174.509 173.428 1.081 19235 4604 1 7 . 1 1 36 36 SER CA C 36 56.936 56.936 56.531 0.405 19235 4605 1 7 . 1 1 36 36 SER CB C 36 65.556 65.556 64.586 0.970 19235 4606 1 7 . 1 1 36 36 SER H H 36 7.508 7.508 8.391 -0.883 19235 4607 1 7 . 1 1 37 37 GLY N N 37 112.153 112.153 114.368 -2.215 19235 4608 1 7 . 1 1 37 37 GLY C C 37 175.786 175.786 172.384 3.402 19235 4609 1 7 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.471 -0.603 19235 4610 1 7 . 1 1 37 37 GLY H H 37 8.914 8.914 8.827 0.087 19235 4611 1 7 . 1 1 38 38 ALA N N 38 125.303 125.303 122.844 2.459 19235 4612 1 7 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.933 -0.284 19235 4613 1 7 . 1 1 38 38 ALA C C 38 179.569 179.569 176.252 3.317 19235 4614 1 7 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.523 1.776 19235 4615 1 7 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.079 0.187 19235 4616 1 7 . 1 1 38 38 ALA H H 38 10.037 10.037 8.243 1.794 19235 4617 1 7 . 1 1 39 39 GLY N N 39 110.076 110.076 106.821 3.255 19235 4618 1 7 . 1 1 39 39 GLY C C 39 175.023 175.023 174.396 0.627 19235 4619 1 7 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.904 2.026 19235 4620 1 7 . 1 1 39 39 GLY H H 39 6.982 6.982 7.797 -0.815 19235 4621 1 7 . 1 1 40 40 VAL N N 40 114.196 114.196 117.249 -3.053 19235 4622 1 7 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.358 -0.074 19235 4623 1 7 . 1 1 40 40 VAL C C 40 177.795 177.795 176.378 1.417 19235 4624 1 7 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.331 -0.198 19235 4625 1 7 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.354 -0.476 19235 4626 1 7 . 1 1 40 40 VAL H H 40 7.857 7.857 7.831 0.026 19235 4627 1 7 . 1 1 41 41 VAL N N 41 120.950 120.950 121.228 -0.278 19235 4628 1 7 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.553 0.015 19235 4629 1 7 . 1 1 41 41 VAL C C 41 177.788 177.788 176.800 0.988 19235 4630 1 7 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.759 1.437 19235 4631 1 7 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.210 -0.022 19235 4632 1 7 . 1 1 41 41 VAL H H 41 8.469 8.469 8.461 0.008 19235 4633 1 7 . 1 1 42 42 GLY N N 42 116.155 116.155 115.558 0.597 19235 4634 1 7 . 1 1 42 42 GLY C C 42 176.032 176.032 174.160 1.872 19235 4635 1 7 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.632 -0.240 19235 4636 1 7 . 1 1 42 42 GLY H H 42 9.266 9.266 8.877 0.389 19235 4637 1 7 . 1 1 43 43 SER N N 43 118.352 118.352 117.458 0.894 19235 4638 1 7 . 1 1 43 43 SER HA H 43 4.385 4.385 4.428 -0.043 19235 4639 1 7 . 1 1 43 43 SER C C 43 173.302 173.302 173.895 -0.593 19235 4640 1 7 . 1 1 43 43 SER CA C 43 59.910 59.910 58.493 1.417 19235 4641 1 7 . 1 1 43 43 SER CB C 43 63.931 63.931 64.425 -0.494 19235 4642 1 7 . 1 1 43 43 SER H H 43 8.408 8.408 8.166 0.242 19235 4643 1 7 . 1 1 44 44 THR N N 44 118.418 118.418 121.911 -3.493 19235 4644 1 7 . 1 1 44 44 THR HA H 44 4.815 4.815 4.605 0.210 19235 4645 1 7 . 1 1 44 44 THR C C 44 173.450 173.450 173.854 -0.404 19235 4646 1 7 . 1 1 44 44 THR CA C 44 62.444 62.444 61.303 1.141 19235 4647 1 7 . 1 1 44 44 THR CB C 44 69.663 69.663 70.681 -1.018 19235 4648 1 7 . 1 1 44 44 THR H H 44 8.386 8.386 8.139 0.247 19235 4649 1 7 . 1 1 45 45 ILE N N 45 127.861 127.861 127.878 -0.017 19235 4650 1 7 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.096 -0.258 19235 4651 1 7 . 1 1 45 45 ILE C C 45 176.164 176.164 174.318 1.846 19235 4652 1 7 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.620 -0.197 19235 4653 1 7 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.370 -0.837 19235 4654 1 7 . 1 1 45 45 ILE H H 45 9.423 9.423 8.800 0.623 19235 4655 1 7 . 1 1 46 46 LYS N N 46 125.403 125.403 127.941 -2.538 19235 4656 1 7 . 1 1 46 46 LYS HA H 46 4.523 4.523 4.983 -0.460 19235 4657 1 7 . 1 1 46 46 LYS C C 46 176.574 176.574 174.917 1.657 19235 4658 1 7 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.400 1.226 19235 4659 1 7 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.347 -3.398 19235 4660 1 7 . 1 1 46 46 LYS H H 46 8.388 8.388 8.515 -0.127 19235 4661 1 7 . 1 1 47 47 PHE N N 47 124.081 124.081 124.643 -0.562 19235 4662 1 7 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.685 -0.284 19235 4663 1 7 . 1 1 47 47 PHE C C 47 177.107 177.107 175.110 1.997 19235 4664 1 7 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.893 0.261 19235 4665 1 7 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.997 -2.360 19235 4666 1 7 . 1 1 47 47 PHE H H 47 8.026 8.026 8.541 -0.515 19235 4667 1 7 . 1 1 48 48 ARG N N 48 121.376 121.376 121.567 -0.191 19235 4668 1 7 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.377 0.183 19235 4669 1 7 . 1 1 48 48 ARG C C 48 175.042 175.042 175.204 -0.162 19235 4670 1 7 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.924 -4.342 19235 4671 1 7 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.034 1.524 19235 4672 1 7 . 1 1 48 48 ARG H H 48 8.521 8.521 8.467 0.054 19235 4673 1 7 . 1 1 49 49 PHE N N 49 121.884 121.884 124.913 -3.029 19235 4674 1 7 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.758 -0.959 19235 4675 1 7 . 1 1 49 49 PHE C C 49 175.580 175.580 174.350 1.230 19235 4676 1 7 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.895 -1.589 19235 4677 1 7 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.814 -4.704 19235 4678 1 7 . 1 1 49 49 PHE H H 49 8.649 8.649 8.356 0.293 19235 4679 1 7 . 1 1 50 50 ASN N N 50 121.994 121.994 121.660 0.334 19235 4680 1 7 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.445 -0.033 19235 4681 1 7 . 1 1 50 50 ASN C C 50 177.277 177.277 175.587 1.690 19235 4682 1 7 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.690 -0.373 19235 4683 1 7 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.214 -1.089 19235 4684 1 7 . 1 1 50 50 ASN H H 50 9.296 9.296 7.792 1.504 19235 4685 1 7 . 1 1 51 51 GLY N N 51 103.211 103.211 108.091 -4.880 19235 4686 1 7 . 1 1 51 51 GLY C C 51 175.077 175.077 174.814 0.263 19235 4687 1 7 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.129 0.499 19235 4688 1 7 . 1 1 51 51 GLY H H 51 8.532 8.532 7.725 0.807 19235 4689 1 7 . 1 1 52 52 GLY N N 52 106.323 106.323 109.430 -3.107 19235 4690 1 7 . 1 1 52 52 GLY C C 52 173.770 173.770 174.827 -1.057 19235 4691 1 7 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.592 -1.105 19235 4692 1 7 . 1 1 52 52 GLY H H 52 7.215 7.215 8.350 -1.135 19235 4693 1 7 . 1 1 53 53 GLY N N 53 109.867 109.867 109.574 0.293 19235 4694 1 7 . 1 1 53 53 GLY C C 53 169.984 169.984 173.344 -3.360 19235 4695 1 7 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.400 2.104 19235 4696 1 7 . 1 1 53 53 GLY H H 53 8.412 8.412 8.558 -0.146 19235 4697 1 7 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.293 1.070 19235 4698 1 7 . 1 1 54 54 PRO C C 54 175.960 175.960 175.434 0.526 19235 4699 1 7 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.445 0.190 19235 4700 1 7 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.828 0.513 19235 4701 1 7 . 1 1 55 55 ASP N N 55 118.374 118.374 121.127 -2.753 19235 4702 1 7 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.616 0.162 19235 4703 1 7 . 1 1 55 55 ASP C C 55 176.144 176.144 174.655 1.489 19235 4704 1 7 . 1 1 55 55 ASP CA C 55 51.576 51.576 52.944 -1.369 19235 4705 1 7 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.885 -3.414 19235 4706 1 7 . 1 1 55 55 ASP H H 55 6.732 6.732 8.137 -1.405 19235 4707 1 7 . 1 1 56 56 PHE N N 56 116.916 116.916 120.696 -3.780 19235 4708 1 7 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.921 0.162 19235 4709 1 7 . 1 1 56 56 PHE C C 56 175.088 175.088 174.803 0.285 19235 4710 1 7 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.528 0.834 19235 4711 1 7 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.645 1.651 19235 4712 1 7 . 1 1 56 56 PHE H H 56 9.140 9.140 9.028 0.112 19235 4713 1 7 . 1 1 57 57 LYS N N 57 123.219 123.219 124.874 -1.655 19235 4714 1 7 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.663 0.575 19235 4715 1 7 . 1 1 57 57 LYS C C 57 177.979 177.979 175.658 2.321 19235 4716 1 7 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.402 -1.092 19235 4717 1 7 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.535 -0.605 19235 4718 1 7 . 1 1 57 57 LYS H H 57 9.574 9.574 9.045 0.529 19235 4719 1 7 . 1 1 58 58 VAL N N 58 127.037 127.037 128.169 -1.132 19235 4720 1 7 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.594 0.073 19235 4721 1 7 . 1 1 58 58 VAL C C 58 178.738 178.738 176.423 2.315 19235 4722 1 7 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.962 0.793 19235 4723 1 7 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.744 -0.011 19235 4724 1 7 . 1 1 58 58 VAL H H 58 9.196 9.196 8.818 0.378 19235 4725 1 7 . 1 1 59 59 THR N N 59 120.775 120.775 120.166 0.609 19235 4726 1 7 . 1 1 59 59 THR HA H 59 4.716 4.716 4.484 0.232 19235 4727 1 7 . 1 1 59 59 THR C C 59 177.001 177.001 174.637 2.364 19235 4728 1 7 . 1 1 59 59 THR CA C 59 62.615 62.615 62.044 0.572 19235 4729 1 7 . 1 1 59 59 THR CB C 59 69.528 69.528 69.803 -0.275 19235 4730 1 7 . 1 1 59 59 THR H H 59 9.470 9.470 9.266 0.204 19235 4731 1 7 . 1 1 60 60 LYS N N 60 123.315 123.315 121.509 1.806 19235 4732 1 7 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.556 -0.124 19235 4733 1 7 . 1 1 60 60 LYS C C 60 174.225 174.225 174.002 0.223 19235 4734 1 7 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.620 1.299 19235 4735 1 7 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.165 -0.834 19235 4736 1 7 . 1 1 60 60 LYS H H 60 7.819 7.819 7.657 0.162 19235 4737 1 7 . 1 1 61 61 LEU N N 61 125.573 125.573 126.809 -1.236 19235 4738 1 7 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.103 0.112 19235 4739 1 7 . 1 1 61 61 LEU C C 61 177.508 177.508 175.880 1.628 19235 4740 1 7 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.700 0.654 19235 4741 1 7 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.511 0.258 19235 4742 1 7 . 1 1 61 61 LEU H H 61 8.354 8.354 8.602 -0.248 19235 4743 1 7 . 1 1 62 62 ILE N N 62 124.326 124.326 124.634 -0.308 19235 4744 1 7 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.622 0.149 19235 4745 1 7 . 1 1 62 62 ILE C C 62 175.200 175.200 174.303 0.897 19235 4746 1 7 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.986 0.970 19235 4747 1 7 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.582 -1.295 19235 4748 1 7 . 1 1 62 62 ILE H H 62 9.340 9.340 9.072 0.268 19235 4749 1 7 . 1 1 63 63 PRO HA H 63 3.288 3.288 4.005 -0.717 19235 4750 1 7 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.236 0.632 19235 4751 1 7 . 1 1 64 64 ASN N N 64 113.559 113.559 116.335 -2.776 19235 4752 1 7 . 1 1 64 64 ASN HA H 64 3.455 3.455 4.053 -0.598 19235 4753 1 7 . 1 1 64 64 ASN C C 64 174.053 174.053 174.402 -0.349 19235 4754 1 7 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.517 0.855 19235 4755 1 7 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.648 0.222 19235 4756 1 7 . 1 1 64 64 ASN H H 64 4.547 4.547 7.790 -3.243 19235 4757 1 7 . 1 1 65 65 LYS N N 65 116.786 116.786 116.101 0.685 19235 4758 1 7 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.568 0.245 19235 4759 1 7 . 1 1 65 65 LYS C C 65 176.349 176.349 175.188 1.161 19235 4760 1 7 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.488 1.540 19235 4761 1 7 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.904 0.532 19235 4762 1 7 . 1 1 65 65 LYS H H 65 8.222 8.222 8.200 0.022 19235 4763 1 7 . 1 1 66 66 THR N N 66 114.184 114.184 116.662 -2.478 19235 4764 1 7 . 1 1 66 66 THR HA H 66 5.462 5.462 5.429 0.033 19235 4765 1 7 . 1 1 66 66 THR C C 66 173.770 173.770 172.724 1.046 19235 4766 1 7 . 1 1 66 66 THR CA C 66 62.725 62.725 61.681 1.044 19235 4767 1 7 . 1 1 66 66 THR CB C 66 73.439 73.439 72.253 1.186 19235 4768 1 7 . 1 1 66 66 THR H H 66 8.667 8.667 7.894 0.773 19235 4769 1 7 . 1 1 67 67 VAL N N 67 127.075 127.075 126.815 0.260 19235 4770 1 7 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.782 -0.076 19235 4771 1 7 . 1 1 67 67 VAL C C 67 176.093 176.093 174.085 2.008 19235 4772 1 7 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.633 1.325 19235 4773 1 7 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.377 0.800 19235 4774 1 7 . 1 1 67 67 VAL H H 67 8.777 8.777 8.794 -0.017 19235 4775 1 7 . 1 1 68 68 CYS N N 68 122.749 122.749 127.261 -4.512 19235 4776 1 7 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.343 0.140 19235 4777 1 7 . 1 1 68 68 CYS C C 68 174.607 174.607 173.444 1.163 19235 4778 1 7 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.758 0.379 19235 4779 1 7 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.923 0.751 19235 4780 1 7 . 1 1 68 68 CYS H H 68 8.987 8.987 8.802 0.185 19235 4781 1 7 . 1 1 69 69 TRP N N 69 123.217 123.217 127.935 -4.718 19235 4782 1 7 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.759 0.553 19235 4783 1 7 . 1 1 69 69 TRP C C 69 178.064 178.064 175.246 2.818 19235 4784 1 7 . 1 1 69 69 TRP CA C 69 52.798 52.798 53.895 -1.097 19235 4785 1 7 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.412 3.728 19235 4786 1 7 . 1 1 69 69 TRP H H 69 9.612 9.612 9.314 0.298 19235 4787 1 7 . 1 1 70 70 GLN N N 70 122.556 122.556 120.641 1.915 19235 4788 1 7 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.877 0.407 19235 4789 1 7 . 1 1 70 70 GLN C C 70 176.295 176.295 174.705 1.590 19235 4790 1 7 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.257 0.629 19235 4791 1 7 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.977 0.300 19235 4792 1 7 . 1 1 70 70 GLN H H 70 10.132 10.132 9.206 0.926 19235 4793 1 7 . 1 1 71 71 HIS N N 71 128.443 128.443 127.506 0.937 19235 4794 1 7 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.557 -0.571 19235 4795 1 7 . 1 1 71 71 HIS C C 71 175.251 175.251 173.956 1.295 19235 4796 1 7 . 1 1 71 71 HIS CA C 71 60.992 60.992 57.753 3.239 19235 4797 1 7 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.150 0.076 19235 4798 1 7 . 1 1 71 71 HIS H H 71 8.947 8.947 8.490 0.457 19235 4799 1 7 . 1 1 72 72 ALA N N 72 131.788 131.788 127.256 4.532 19235 4800 1 7 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.624 0.083 19235 4801 1 7 . 1 1 72 72 ALA C C 72 176.274 176.274 174.616 1.658 19235 4802 1 7 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.449 -0.948 19235 4803 1 7 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.236 -0.864 19235 4804 1 7 . 1 1 72 72 ALA H H 72 7.954 7.954 8.127 -0.173 19235 4805 1 7 . 1 1 73 73 GLY N N 73 107.065 107.065 107.766 -0.701 19235 4806 1 7 . 1 1 73 73 GLY C C 73 175.476 175.476 173.504 1.972 19235 4807 1 7 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.102 -0.195 19235 4808 1 7 . 1 1 73 73 GLY H H 73 8.037 8.037 8.113 -0.076 19235 4809 1 7 . 1 1 74 74 ASN N N 74 117.053 117.053 118.632 -1.579 19235 4810 1 7 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.839 0.419 19235 4811 1 7 . 1 1 74 74 ASN C C 74 175.858 175.858 175.434 0.424 19235 4812 1 7 . 1 1 74 74 ASN CA C 74 52.628 52.628 52.972 -0.344 19235 4813 1 7 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.783 0.835 19235 4814 1 7 . 1 1 74 74 ASN H H 74 8.214 8.214 8.603 -0.389 19235 4815 1 7 . 1 1 75 75 MET N N 75 118.795 118.795 120.745 -1.950 19235 4816 1 7 . 1 1 75 75 MET HA H 75 4.972 4.972 4.451 0.521 19235 4817 1 7 . 1 1 75 75 MET C C 75 176.426 176.426 174.142 2.284 19235 4818 1 7 . 1 1 75 75 MET CA C 75 52.203 52.203 54.034 -1.831 19235 4819 1 7 . 1 1 75 75 MET CB C 75 35.318 35.318 32.384 2.934 19235 4820 1 7 . 1 1 75 75 MET H H 75 8.685 8.685 7.622 1.063 19235 4821 1 7 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.178 0.740 19235 4822 1 7 . 1 1 76 76 PRO C C 76 179.193 179.193 177.142 2.051 19235 4823 1 7 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.967 -0.071 19235 4824 1 7 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.839 1.030 19235 4825 1 7 . 1 1 77 77 GLU N N 77 124.888 124.888 122.769 2.119 19235 4826 1 7 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.898 -0.096 19235 4827 1 7 . 1 1 77 77 GLU C C 77 181.035 181.035 178.702 2.333 19235 4828 1 7 . 1 1 77 77 GLU CA C 77 60.350 60.350 59.985 0.365 19235 4829 1 7 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.428 -0.261 19235 4830 1 7 . 1 1 77 77 GLU H H 77 9.141 9.141 8.762 0.379 19235 4831 1 7 . 1 1 78 78 SER N N 78 111.049 111.049 113.018 -1.969 19235 4832 1 7 . 1 1 78 78 SER HA H 78 4.335 4.335 4.331 0.004 19235 4833 1 7 . 1 1 78 78 SER C C 78 174.864 174.864 175.772 -0.908 19235 4834 1 7 . 1 1 78 78 SER CA C 78 60.184 60.184 60.695 -0.511 19235 4835 1 7 . 1 1 78 78 SER CB C 78 63.543 63.543 62.807 0.736 19235 4836 1 7 . 1 1 78 78 SER H H 78 8.349 8.349 8.279 0.070 19235 4837 1 7 . 1 1 79 79 TRP N N 79 115.554 115.554 120.920 -5.366 19235 4838 1 7 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.639 -0.324 19235 4839 1 7 . 1 1 79 79 TRP C C 79 178.135 178.135 177.617 0.518 19235 4840 1 7 . 1 1 79 79 TRP CA C 79 54.664 54.664 57.044 -2.380 19235 4841 1 7 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.247 -2.291 19235 4842 1 7 . 1 1 79 79 TRP H H 79 7.492 7.492 7.713 -0.221 19235 4843 1 7 . 1 1 80 80 MET N N 80 123.060 123.060 116.993 6.067 19235 4844 1 7 . 1 1 80 80 MET HA H 80 4.677 4.677 4.703 -0.026 19235 4845 1 7 . 1 1 80 80 MET C C 80 179.026 179.026 178.632 0.394 19235 4846 1 7 . 1 1 80 80 MET CA C 80 58.410 58.410 58.279 0.131 19235 4847 1 7 . 1 1 80 80 MET CB C 80 32.136 32.136 33.515 -1.379 19235 4848 1 7 . 1 1 80 80 MET H H 80 7.570 7.570 7.894 -0.324 19235 4849 1 7 . 1 1 81 81 GLY N N 81 112.489 112.489 108.467 4.022 19235 4850 1 7 . 1 1 81 81 GLY C C 81 176.316 176.316 173.501 2.815 19235 4851 1 7 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.817 1.039 19235 4852 1 7 . 1 1 81 81 GLY H H 81 9.025 9.025 8.000 1.025 19235 4853 1 7 . 1 1 82 82 THR N N 82 110.515 110.515 112.234 -1.719 19235 4854 1 7 . 1 1 82 82 THR HA H 82 4.925 4.925 4.741 0.184 19235 4855 1 7 . 1 1 82 82 THR C C 82 175.233 175.233 173.125 2.108 19235 4856 1 7 . 1 1 82 82 THR CA C 82 61.666 61.666 60.053 1.613 19235 4857 1 7 . 1 1 82 82 THR CB C 82 72.105 72.105 71.601 0.504 19235 4858 1 7 . 1 1 82 82 THR H H 82 8.201 8.201 7.638 0.563 19235 4859 1 7 . 1 1 83 83 GLU N N 83 117.578 117.578 121.105 -3.527 19235 4860 1 7 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.255 0.049 19235 4861 1 7 . 1 1 83 83 GLU C C 83 175.305 175.305 174.691 0.614 19235 4862 1 7 . 1 1 83 83 GLU CA C 83 54.829 54.829 55.031 -0.202 19235 4863 1 7 . 1 1 83 83 GLU CB C 83 33.779 33.779 34.511 -0.732 19235 4864 1 7 . 1 1 83 83 GLU H H 83 8.098 8.098 8.369 -0.271 19235 4865 1 7 . 1 1 84 84 ILE N N 84 122.729 122.729 121.520 1.209 19235 4866 1 7 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.788 0.056 19235 4867 1 7 . 1 1 84 84 ILE C C 84 175.731 175.731 174.108 1.623 19235 4868 1 7 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.574 -0.442 19235 4869 1 7 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.875 -0.410 19235 4870 1 7 . 1 1 84 84 ILE H H 84 9.191 9.191 9.110 0.081 19235 4871 1 7 . 1 1 85 85 SER N N 85 119.684 119.684 119.344 0.340 19235 4872 1 7 . 1 1 85 85 SER HA H 85 5.269 5.269 5.104 0.165 19235 4873 1 7 . 1 1 85 85 SER C C 85 173.140 173.140 172.800 0.340 19235 4874 1 7 . 1 1 85 85 SER CA C 85 55.616 55.616 55.614 0.002 19235 4875 1 7 . 1 1 85 85 SER CB C 85 66.396 66.396 65.352 1.044 19235 4876 1 7 . 1 1 85 85 SER H H 85 8.264 8.264 8.548 -0.284 19235 4877 1 7 . 1 1 86 86 PHE N N 86 120.734 120.734 124.425 -3.691 19235 4878 1 7 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.110 -0.302 19235 4879 1 7 . 1 1 86 86 PHE C C 86 175.882 175.882 174.558 1.324 19235 4880 1 7 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.448 -0.303 19235 4881 1 7 . 1 1 86 86 PHE CB C 86 41.089 41.089 40.225 0.864 19235 4882 1 7 . 1 1 86 86 PHE H H 86 9.202 9.202 9.135 0.067 19235 4883 1 7 . 1 1 87 87 GLN N N 87 120.452 120.452 124.586 -4.134 19235 4884 1 7 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.246 0.175 19235 4885 1 7 . 1 1 87 87 GLN C C 87 176.561 176.561 174.626 1.935 19235 4886 1 7 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.051 -0.101 19235 4887 1 7 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.916 -0.214 19235 4888 1 7 . 1 1 87 87 GLN H H 87 8.663 8.663 8.897 -0.234 19235 4889 1 7 . 1 1 88 88 LEU N N 88 126.610 126.610 128.783 -2.173 19235 4890 1 7 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.225 0.225 19235 4891 1 7 . 1 1 88 88 LEU C C 88 178.015 178.015 176.665 1.350 19235 4892 1 7 . 1 1 88 88 LEU CA C 88 54.286 54.286 53.870 0.416 19235 4893 1 7 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.325 -1.360 19235 4894 1 7 . 1 1 88 88 LEU H H 88 9.315 9.315 8.834 0.481 19235 4895 1 7 . 1 1 89 89 GLU N N 89 123.568 123.568 124.602 -1.034 19235 4896 1 7 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.713 0.079 19235 4897 1 7 . 1 1 89 89 GLU C C 89 176.006 176.006 175.463 0.543 19235 4898 1 7 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.406 1.052 19235 4899 1 7 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.983 -0.358 19235 4900 1 7 . 1 1 89 89 GLU H H 89 8.862 8.862 9.176 -0.314 19235 4901 1 7 . 1 1 90 90 THR N N 90 124.266 124.266 123.210 1.056 19235 4902 1 7 . 1 1 90 90 THR HA H 90 4.828 4.828 4.060 0.768 19235 4903 1 7 . 1 1 90 90 THR C C 90 175.572 175.572 174.059 1.513 19235 4904 1 7 . 1 1 90 90 THR CA C 90 63.397 63.397 63.979 -0.582 19235 4905 1 7 . 1 1 90 90 THR CB C 90 69.628 69.628 69.200 0.428 19235 4906 1 7 . 1 1 90 90 THR H H 90 9.120 9.120 8.610 0.510 19235 4907 1 7 . 1 1 91 91 VAL N N 91 125.506 125.506 126.253 -0.747 19235 4908 1 7 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.135 0.362 19235 4909 1 7 . 1 1 91 91 VAL C C 91 176.665 176.665 175.673 0.992 19235 4910 1 7 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.954 1.237 19235 4911 1 7 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.850 -0.348 19235 4912 1 7 . 1 1 91 91 VAL H H 91 8.729 8.729 8.209 0.520 19235 4913 1 7 . 1 1 92 92 GLU C C 92 177.778 177.778 176.865 0.913 19235 4914 1 7 . 1 1 93 93 ASN N N 93 115.899 115.899 114.985 0.914 19235 4915 1 7 . 1 1 93 93 ASN C C 93 174.644 174.644 175.166 -0.522 19235 4916 1 7 . 1 1 93 93 ASN H H 93 8.372 8.372 8.278 0.094 19235 4917 1 7 . 1 1 94 94 GLN N N 94 114.412 114.412 116.950 -2.538 19235 4918 1 7 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.548 0.070 19235 4919 1 7 . 1 1 94 94 GLN C C 94 173.810 173.810 173.959 -0.149 19235 4920 1 7 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.584 0.078 19235 4921 1 7 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.619 -2.840 19235 4922 1 7 . 1 1 94 94 GLN H H 94 7.505 7.505 7.636 -0.131 19235 4923 1 7 . 1 1 95 95 THR N N 95 117.223 117.223 116.626 0.597 19235 4924 1 7 . 1 1 95 95 THR HA H 95 4.889 4.889 4.925 -0.036 19235 4925 1 7 . 1 1 95 95 THR C C 95 175.599 175.599 173.457 2.142 19235 4926 1 7 . 1 1 95 95 THR CA C 95 61.633 61.633 61.712 -0.079 19235 4927 1 7 . 1 1 95 95 THR CB C 95 70.071 70.071 70.889 -0.818 19235 4928 1 7 . 1 1 95 95 THR H H 95 8.975 8.975 8.709 0.266 19235 4929 1 7 . 1 1 96 96 PHE N N 96 125.360 125.360 125.719 -0.359 19235 4930 1 7 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.856 -0.124 19235 4931 1 7 . 1 1 96 96 PHE C C 96 176.859 176.859 174.969 1.890 19235 4932 1 7 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.614 3.566 19235 4933 1 7 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.472 -0.378 19235 4934 1 7 . 1 1 96 96 PHE H H 96 9.499 9.499 9.317 0.182 19235 4935 1 7 . 1 1 97 97 VAL N N 97 122.027 122.027 123.475 -1.448 19235 4936 1 7 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.694 -0.177 19235 4937 1 7 . 1 1 97 97 VAL C C 97 175.876 175.876 175.270 0.606 19235 4938 1 7 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.410 -0.047 19235 4939 1 7 . 1 1 97 97 VAL CB C 97 32.379 32.379 33.198 -0.819 19235 4940 1 7 . 1 1 97 97 VAL H H 97 9.394 9.394 9.074 0.320 19235 4941 1 7 . 1 1 98 98 ARG N N 98 126.680 126.680 127.083 -0.403 19235 4942 1 7 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.728 -0.537 19235 4943 1 7 . 1 1 98 98 ARG C C 98 176.185 176.185 174.696 1.489 19235 4944 1 7 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.988 -0.187 19235 4945 1 7 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.427 -1.927 19235 4946 1 7 . 1 1 98 98 ARG H H 98 9.245 9.245 9.288 -0.043 19235 4947 1 7 . 1 1 99 99 PHE N N 99 131.125 131.125 128.279 2.846 19235 4948 1 7 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.134 -0.262 19235 4949 1 7 . 1 1 99 99 PHE C C 99 174.793 174.793 173.839 0.954 19235 4950 1 7 . 1 1 99 99 PHE CA C 99 55.727 55.727 56.046 -0.319 19235 4951 1 7 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.087 0.484 19235 4952 1 7 . 1 1 99 99 PHE H H 99 8.723 8.723 9.356 -0.633 19235 4953 1 7 . 1 1 100 100 THR N N 100 124.512 124.512 125.843 -1.331 19235 4954 1 7 . 1 1 100 100 THR HA H 100 5.062 5.062 4.959 0.103 19235 4955 1 7 . 1 1 100 100 THR C C 100 173.105 173.105 172.040 1.065 19235 4956 1 7 . 1 1 100 100 THR CA C 100 59.971 59.971 60.744 -0.773 19235 4957 1 7 . 1 1 100 100 THR CB C 100 71.127 71.127 70.356 0.770 19235 4958 1 7 . 1 1 100 100 THR H H 100 8.020 8.020 8.086 -0.066 19235 4959 1 7 . 1 1 101 101 HIS N N 101 127.719 127.719 128.101 -0.382 19235 4960 1 7 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.267 -0.224 19235 4961 1 7 . 1 1 101 101 HIS C C 101 176.440 176.440 174.325 2.115 19235 4962 1 7 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.255 -0.350 19235 4963 1 7 . 1 1 101 101 HIS CB C 101 32.335 32.335 31.628 0.707 19235 4964 1 7 . 1 1 101 101 HIS H H 101 8.714 8.714 8.849 -0.135 19235 4965 1 7 . 1 1 102 102 SER N N 102 121.048 121.048 122.918 -1.870 19235 4966 1 7 . 1 1 102 102 SER HA H 102 5.023 5.023 5.059 -0.036 19235 4967 1 7 . 1 1 102 102 SER C C 102 175.564 175.564 173.999 1.565 19235 4968 1 7 . 1 1 102 102 SER CA C 102 57.264 57.264 56.681 0.583 19235 4969 1 7 . 1 1 102 102 SER CB C 102 66.564 66.564 66.070 0.494 19235 4970 1 7 . 1 1 102 102 SER H H 102 9.804 9.804 9.187 0.617 19235 4971 1 7 . 1 1 103 103 ASN N N 103 110.931 110.931 115.435 -4.504 19235 4972 1 7 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.413 -0.021 19235 4973 1 7 . 1 1 103 103 ASN C C 103 176.631 176.631 173.877 2.754 19235 4974 1 7 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.379 0.007 19235 4975 1 7 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.609 -0.076 19235 4976 1 7 . 1 1 103 103 ASN H H 103 8.304 8.304 8.760 -0.456 19235 4977 1 7 . 1 1 104 104 TRP N N 104 119.944 119.944 119.408 0.536 19235 4978 1 7 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.745 -0.463 19235 4979 1 7 . 1 1 104 104 TRP C C 104 179.325 179.325 177.238 2.087 19235 4980 1 7 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.871 1.445 19235 4981 1 7 . 1 1 104 104 TRP CB C 104 27.723 27.723 29.854 -2.131 19235 4982 1 7 . 1 1 104 104 TRP H H 104 8.669 8.669 8.600 0.069 19235 4983 1 7 . 1 1 105 105 HIS N N 105 121.315 121.315 124.068 -2.753 19235 4984 1 7 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.287 0.179 19235 4985 1 7 . 1 1 105 105 HIS C C 105 176.866 176.866 174.199 2.667 19235 4986 1 7 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.961 0.466 19235 4987 1 7 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.676 0.342 19235 4988 1 7 . 1 1 105 105 HIS H H 105 8.919 8.919 9.142 -0.223 19235 4989 1 7 . 1 1 106 106 GLU N N 106 112.392 112.392 114.180 -1.788 19235 4990 1 7 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.500 0.029 19235 4991 1 7 . 1 1 106 106 GLU C C 106 175.482 175.482 175.015 0.467 19235 4992 1 7 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.308 -0.962 19235 4993 1 7 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.766 0.550 19235 4994 1 7 . 1 1 106 106 GLU H H 106 7.800 7.800 7.995 -0.195 19235 4995 1 7 . 1 1 107 107 THR N N 107 117.872 117.872 113.177 4.695 19235 4996 1 7 . 1 1 107 107 THR HA H 107 4.261 4.261 4.185 0.076 19235 4997 1 7 . 1 1 107 107 THR C C 107 175.517 175.517 174.531 0.986 19235 4998 1 7 . 1 1 107 107 THR CA C 107 63.456 63.456 62.171 1.285 19235 4999 1 7 . 1 1 107 107 THR CB C 107 68.072 68.072 67.602 0.470 19235 5000 1 7 . 1 1 107 107 THR H H 107 8.668 8.668 8.412 0.256 19235 5001 1 7 . 1 1 108 108 THR N N 108 116.177 116.177 117.655 -1.478 19235 5002 1 7 . 1 1 108 108 THR HA H 108 4.720 4.720 4.470 0.250 19235 5003 1 7 . 1 1 108 108 THR C C 108 176.376 176.376 175.401 0.975 19235 5004 1 7 . 1 1 108 108 THR CA C 108 59.356 59.356 60.006 -0.650 19235 5005 1 7 . 1 1 108 108 THR CB C 108 73.275 73.275 70.754 2.521 19235 5006 1 7 . 1 1 108 108 THR H H 108 6.802 6.802 7.988 -1.186 19235 5007 1 7 . 1 1 109 109 ASP C C 109 179.100 179.100 177.667 1.433 19235 5008 1 7 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.768 0.692 19235 5009 1 7 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.430 -0.262 19235 5010 1 7 . 1 1 110 110 PHE N N 110 119.151 119.151 120.513 -1.362 19235 5011 1 7 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.950 0.601 19235 5012 1 7 . 1 1 110 110 PHE C C 110 179.054 179.054 176.968 2.086 19235 5013 1 7 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.344 0.367 19235 5014 1 7 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.682 -0.255 19235 5015 1 7 . 1 1 110 110 PHE H H 110 8.463 8.463 7.612 0.851 19235 5016 1 7 . 1 1 111 111 MET N N 111 122.801 122.801 119.016 3.785 19235 5017 1 7 . 1 1 111 111 MET HA H 111 3.061 3.061 2.717 0.344 19235 5018 1 7 . 1 1 111 111 MET C C 111 178.661 178.661 176.920 1.741 19235 5019 1 7 . 1 1 111 111 MET CA C 111 59.888 59.888 57.730 2.158 19235 5020 1 7 . 1 1 111 111 MET CB C 111 31.587 31.587 30.997 0.590 19235 5021 1 7 . 1 1 111 111 MET H H 111 8.261 8.261 7.710 0.551 19235 5022 1 7 . 1 1 112 112 ALA N N 112 121.236 121.236 120.404 0.832 19235 5023 1 7 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.772 0.065 19235 5024 1 7 . 1 1 112 112 ALA C C 112 179.201 179.201 179.385 -0.184 19235 5025 1 7 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.678 0.111 19235 5026 1 7 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.807 0.356 19235 5027 1 7 . 1 1 112 112 ALA H H 112 7.744 7.744 7.373 0.371 19235 5028 1 7 . 1 1 113 113 HIS N N 113 116.411 116.411 117.610 -1.199 19235 5029 1 7 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.067 0.266 19235 5030 1 7 . 1 1 113 113 HIS C C 113 178.145 178.145 177.460 0.685 19235 5031 1 7 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.664 1.537 19235 5032 1 7 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.639 0.202 19235 5033 1 7 . 1 1 113 113 HIS H H 113 8.275 8.275 7.565 0.710 19235 5034 1 7 . 1 1 114 114 CYS N N 114 114.740 114.740 117.289 -2.549 19235 5035 1 7 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.993 -0.032 19235 5036 1 7 . 1 1 114 114 CYS C C 114 177.431 177.431 176.682 0.749 19235 5037 1 7 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.621 -0.130 19235 5038 1 7 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.409 0.199 19235 5039 1 7 . 1 1 114 114 CYS H H 114 8.456 8.456 7.980 0.476 19235 5040 1 7 . 1 1 115 115 ASN N N 115 120.985 120.985 119.036 1.949 19235 5041 1 7 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.448 0.261 19235 5042 1 7 . 1 1 115 115 ASN C C 115 179.521 179.521 177.534 1.987 19235 5043 1 7 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.390 1.696 19235 5044 1 7 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.107 0.812 19235 5045 1 7 . 1 1 115 115 ASN H H 115 8.983 8.983 7.933 1.050 19235 5046 1 7 . 1 1 116 116 THR N N 116 119.651 119.651 117.384 2.267 19235 5047 1 7 . 1 1 116 116 THR HA H 116 4.227 4.227 3.808 0.419 19235 5048 1 7 . 1 1 116 116 THR C C 116 177.405 177.405 176.161 1.244 19235 5049 1 7 . 1 1 116 116 THR CA C 116 67.150 67.150 66.968 0.182 19235 5050 1 7 . 1 1 116 116 THR CB C 116 68.365 68.365 68.695 -0.330 19235 5051 1 7 . 1 1 116 116 THR H H 116 8.704 8.704 7.697 1.007 19235 5052 1 7 . 1 1 117 117 LYS N N 117 121.343 121.343 121.689 -0.346 19235 5053 1 7 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.415 0.865 19235 5054 1 7 . 1 1 117 117 LYS C C 117 180.250 180.250 178.374 1.876 19235 5055 1 7 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.236 -2.134 19235 5056 1 7 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.896 -1.410 19235 5057 1 7 . 1 1 117 117 LYS H H 117 9.148 9.148 7.793 1.355 19235 5058 1 7 . 1 1 118 118 TRP N N 118 117.603 117.603 119.241 -1.638 19235 5059 1 7 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.159 0.721 19235 5060 1 7 . 1 1 118 118 TRP C C 118 180.118 180.118 177.921 2.197 19235 5061 1 7 . 1 1 118 118 TRP CA C 118 59.768 59.768 59.911 -0.143 19235 5062 1 7 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.038 1.478 19235 5063 1 7 . 1 1 118 118 TRP H H 118 9.212 9.212 8.292 0.920 19235 5064 1 7 . 1 1 119 119 ALA N N 119 117.358 117.358 122.344 -4.986 19235 5065 1 7 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.334 0.089 19235 5066 1 7 . 1 1 119 119 ALA C C 119 179.726 179.726 179.147 0.579 19235 5067 1 7 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.753 0.772 19235 5068 1 7 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.567 0.823 19235 5069 1 7 . 1 1 119 119 ALA H H 119 7.132 7.132 7.470 -0.338 19235 5070 1 7 . 1 1 120 120 VAL N N 120 112.004 112.004 118.645 -6.641 19235 5071 1 7 . 1 1 120 120 VAL H H 120 7.188 7.188 7.503 -0.315 19235 5072 1 7 . 1 1 121 121 PHE HA H 121 5.065 5.065 3.982 1.083 19235 5073 1 7 . 1 1 121 121 PHE C C 121 178.810 178.810 177.964 0.846 19235 5074 1 7 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.641 2.025 19235 5075 1 7 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.299 0.504 19235 5076 1 7 . 1 1 122 122 LEU N N 122 121.854 121.854 119.732 2.122 19235 5077 1 7 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.815 0.186 19235 5078 1 7 . 1 1 122 122 LEU C C 122 180.149 180.149 178.703 1.446 19235 5079 1 7 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.856 -0.277 19235 5080 1 7 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.681 -2.007 19235 5081 1 7 . 1 1 122 122 LEU H H 122 8.598 8.598 7.950 0.648 19235 5082 1 7 . 1 1 123 123 LEU N N 123 120.284 120.284 119.229 1.055 19235 5083 1 7 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.783 0.227 19235 5084 1 7 . 1 1 123 123 LEU C C 123 179.701 179.701 178.989 0.712 19235 5085 1 7 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.323 -0.432 19235 5086 1 7 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.217 -0.984 19235 5087 1 7 . 1 1 123 123 LEU H H 123 8.154 8.154 8.178 -0.024 19235 5088 1 7 . 1 1 124 124 SER N N 124 113.478 113.478 114.918 -1.440 19235 5089 1 7 . 1 1 124 124 SER HA H 124 4.586 4.586 4.129 0.457 19235 5090 1 7 . 1 1 124 124 SER C C 124 177.749 177.749 176.302 1.447 19235 5091 1 7 . 1 1 124 124 SER CA C 124 60.660 60.660 61.188 -0.528 19235 5092 1 7 . 1 1 124 124 SER CB C 124 62.601 62.601 63.180 -0.579 19235 5093 1 7 . 1 1 124 124 SER H H 124 7.537 7.537 7.926 -0.389 19235 5094 1 7 . 1 1 125 125 LEU N N 125 120.955 120.955 123.095 -2.140 19235 5095 1 7 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.305 0.361 19235 5096 1 7 . 1 1 125 125 LEU C C 125 177.940 177.940 177.647 0.293 19235 5097 1 7 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.565 0.957 19235 5098 1 7 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.278 -1.555 19235 5099 1 7 . 1 1 125 125 LEU H H 125 8.021 8.021 7.655 0.366 19235 5100 1 7 . 1 1 126 126 LYS N N 126 118.428 118.428 119.014 -0.586 19235 5101 1 7 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.922 0.649 19235 5102 1 7 . 1 1 126 126 LYS C C 126 178.885 178.885 178.297 0.588 19235 5103 1 7 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.869 0.297 19235 5104 1 7 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.246 0.850 19235 5105 1 7 . 1 1 126 126 LYS H H 126 7.899 7.899 7.868 0.031 19235 5106 1 7 . 1 1 127 127 ASP N N 127 119.536 119.536 119.553 -0.017 19235 5107 1 7 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.458 0.075 19235 5108 1 7 . 1 1 127 127 ASP C C 127 180.864 180.864 178.600 2.264 19235 5109 1 7 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.172 0.574 19235 5110 1 7 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.379 -0.543 19235 5111 1 7 . 1 1 127 127 ASP H H 127 8.620 8.620 7.947 0.673 19235 5112 1 7 . 1 1 128 128 ALA N N 128 123.280 123.280 122.556 0.724 19235 5113 1 7 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.357 -0.630 19235 5114 1 7 . 1 1 128 128 ALA C C 128 181.336 181.336 179.957 1.379 19235 5115 1 7 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.206 0.313 19235 5116 1 7 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.715 -1.567 19235 5117 1 7 . 1 1 128 128 ALA H H 128 9.439 9.439 8.231 1.208 19235 5118 1 7 . 1 1 129 129 LEU N N 129 115.298 115.298 117.687 -2.389 19235 5119 1 7 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.055 0.150 19235 5120 1 7 . 1 1 129 129 LEU C C 129 179.484 179.484 178.803 0.681 19235 5121 1 7 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.600 -1.948 19235 5122 1 7 . 1 1 129 129 LEU CB C 129 41.519 41.519 42.047 -0.528 19235 5123 1 7 . 1 1 129 129 LEU H H 129 7.664 7.664 7.552 0.112 19235 5124 1 7 . 1 1 130 130 GLU N N 130 117.821 117.821 117.168 0.653 19235 5125 1 7 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.165 0.133 19235 5126 1 7 . 1 1 130 130 GLU C C 130 179.567 179.567 178.142 1.425 19235 5127 1 7 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.594 0.290 19235 5128 1 7 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.408 0.393 19235 5129 1 7 . 1 1 130 130 GLU H H 130 8.605 8.605 7.981 0.624 19235 5130 1 7 . 1 1 131 131 ILE N N 131 112.140 112.140 115.950 -3.810 19235 5131 1 7 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.286 0.428 19235 5132 1 7 . 1 1 131 131 ILE C C 131 178.233 178.233 177.142 1.091 19235 5133 1 7 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.558 -0.565 19235 5134 1 7 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.911 -0.335 19235 5135 1 7 . 1 1 131 131 ILE H H 131 8.552 8.552 8.006 0.546 19235 5136 1 7 . 1 1 132 132 GLY N N 132 108.998 108.998 107.847 1.151 19235 5137 1 7 . 1 1 132 132 GLY C C 132 174.957 174.957 174.773 0.184 19235 5138 1 7 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.089 0.990 19235 5139 1 7 . 1 1 132 132 GLY H H 132 7.269 7.269 8.326 -1.057 19235 5140 1 7 . 1 1 133 133 LYS N N 133 120.920 120.920 119.829 1.091 19235 5141 1 7 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.195 0.457 19235 5142 1 7 . 1 1 133 133 LYS C C 133 175.857 175.857 177.924 -2.067 19235 5143 1 7 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.195 -1.434 19235 5144 1 7 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.787 1.178 19235 5145 1 7 . 1 1 133 133 LYS H H 133 7.024 7.024 7.791 -0.767 19235 5146 1 8 . 1 1 2 2 VAL N N 2 117.791 117.791 122.580 -4.789 19235 5147 1 8 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.507 -0.061 19235 5148 1 8 . 1 1 2 2 VAL C C 2 174.276 174.276 174.288 -0.012 19235 5149 1 8 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.844 -1.142 19235 5150 1 8 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.215 1.948 19235 5151 1 8 . 1 1 2 2 VAL H H 2 8.851 8.851 8.686 0.165 19235 5152 1 8 . 1 1 3 3 ASN N N 3 117.814 117.814 122.347 -4.533 19235 5153 1 8 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.549 -0.098 19235 5154 1 8 . 1 1 3 3 ASN C C 3 175.197 175.197 174.261 0.936 19235 5155 1 8 . 1 1 3 3 ASN CA C 3 51.458 51.458 52.156 -0.698 19235 5156 1 8 . 1 1 3 3 ASN CB C 3 41.180 41.180 42.024 -0.844 19235 5157 1 8 . 1 1 3 3 ASN H H 3 8.262 8.262 8.563 -0.301 19235 5158 1 8 . 1 1 4 4 ILE N N 4 121.231 121.231 120.155 1.076 19235 5159 1 8 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.494 -0.532 19235 5160 1 8 . 1 1 4 4 ILE C C 4 175.278 175.278 174.139 1.139 19235 5161 1 8 . 1 1 4 4 ILE CA C 4 61.011 61.011 61.027 -0.016 19235 5162 1 8 . 1 1 4 4 ILE CB C 4 40.337 40.337 41.349 -1.012 19235 5163 1 8 . 1 1 4 4 ILE H H 4 8.533 8.533 9.136 -0.603 19235 5164 1 8 . 1 1 5 5 ASN N N 5 125.228 125.228 127.003 -1.775 19235 5165 1 8 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.416 0.150 19235 5166 1 8 . 1 1 5 5 ASN C C 5 174.061 174.061 174.193 -0.132 19235 5167 1 8 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.696 -0.035 19235 5168 1 8 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.875 1.786 19235 5169 1 8 . 1 1 5 5 ASN H H 5 8.109 8.109 8.873 -0.764 19235 5170 1 8 . 1 1 6 6 HIS N N 6 120.724 120.724 123.156 -2.432 19235 5171 1 8 . 1 1 6 6 HIS HA H 6 5.285 5.285 5.173 0.112 19235 5172 1 8 . 1 1 6 6 HIS C C 6 177.102 177.102 172.855 4.247 19235 5173 1 8 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.031 0.595 19235 5174 1 8 . 1 1 6 6 HIS CB C 6 38.564 38.564 32.863 5.701 19235 5175 1 8 . 1 1 6 6 HIS H H 6 9.450 9.450 8.774 0.676 19235 5176 1 8 . 1 1 7 7 ARG N N 7 124.674 124.674 119.730 4.944 19235 5177 1 8 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.542 -0.703 19235 5178 1 8 . 1 1 7 7 ARG C C 7 174.633 174.633 174.645 -0.012 19235 5179 1 8 . 1 1 7 7 ARG CA C 7 56.600 56.600 55.252 1.348 19235 5180 1 8 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.968 -0.385 19235 5181 1 8 . 1 1 7 7 ARG H H 7 8.973 8.973 8.521 0.452 19235 5182 1 8 . 1 1 8 8 ILE N N 8 120.886 120.886 122.218 -1.332 19235 5183 1 8 . 1 1 8 8 ILE H H 8 8.405 8.405 8.885 -0.480 19235 5184 1 8 . 1 1 10 10 ILE N N 10 120.117 120.117 123.731 -3.614 19235 5185 1 8 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.481 -0.798 19235 5186 1 8 . 1 1 10 10 ILE C C 10 177.081 177.081 175.269 1.812 19235 5187 1 8 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.175 -0.372 19235 5188 1 8 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.975 -1.200 19235 5189 1 8 . 1 1 10 10 ILE H H 10 8.604 8.604 9.158 -0.554 19235 5190 1 8 . 1 1 11 11 LYS N N 11 133.535 133.535 127.841 5.694 19235 5191 1 8 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.239 0.252 19235 5192 1 8 . 1 1 11 11 LYS C C 11 174.943 174.943 174.956 -0.013 19235 5193 1 8 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.576 -1.472 19235 5194 1 8 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.636 -1.555 19235 5195 1 8 . 1 1 11 11 LYS H H 11 10.550 10.550 8.868 1.682 19235 5196 1 8 . 1 1 12 12 ALA N N 12 123.135 123.135 122.770 0.365 19235 5197 1 8 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.625 -0.104 19235 5198 1 8 . 1 1 12 12 ALA C C 12 176.178 176.178 175.022 1.156 19235 5199 1 8 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.597 -0.833 19235 5200 1 8 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.023 0.004 19235 5201 1 8 . 1 1 12 12 ALA H H 12 7.933 7.933 8.162 -0.229 19235 5202 1 8 . 1 1 13 13 SER N N 13 116.710 116.710 114.367 2.343 19235 5203 1 8 . 1 1 13 13 SER HA H 13 4.588 4.588 4.794 -0.206 19235 5204 1 8 . 1 1 13 13 SER C C 13 174.197 174.197 174.436 -0.239 19235 5205 1 8 . 1 1 13 13 SER CA C 13 56.147 56.147 55.967 0.180 19235 5206 1 8 . 1 1 13 13 SER CB C 13 62.656 62.656 63.327 -0.671 19235 5207 1 8 . 1 1 13 13 SER H H 13 8.492 8.492 8.480 0.012 19235 5208 1 8 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.313 -0.261 19235 5209 1 8 . 1 1 14 14 PRO C C 14 178.833 178.833 178.396 0.437 19235 5210 1 8 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.011 0.536 19235 5211 1 8 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.889 -0.580 19235 5212 1 8 . 1 1 15 15 GLU N N 15 116.821 116.821 119.970 -3.149 19235 5213 1 8 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.456 -0.188 19235 5214 1 8 . 1 1 15 15 GLU C C 15 180.574 180.574 178.942 1.632 19235 5215 1 8 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.555 0.110 19235 5216 1 8 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.026 -0.422 19235 5217 1 8 . 1 1 15 15 GLU H H 15 8.821 8.821 8.540 0.281 19235 5218 1 8 . 1 1 16 16 LYS N N 16 120.446 120.446 120.018 0.428 19235 5219 1 8 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.140 -0.109 19235 5220 1 8 . 1 1 16 16 LYS C C 16 181.277 181.277 179.286 1.991 19235 5221 1 8 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.547 -0.815 19235 5222 1 8 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.621 -0.704 19235 5223 1 8 . 1 1 16 16 LYS H H 16 7.634 7.634 7.999 -0.365 19235 5224 1 8 . 1 1 17 17 ILE N N 17 120.100 120.100 119.790 0.310 19235 5225 1 8 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.679 -0.249 19235 5226 1 8 . 1 1 17 17 ILE C C 17 177.873 177.873 177.766 0.107 19235 5227 1 8 . 1 1 17 17 ILE CA C 17 65.049 65.049 64.917 0.132 19235 5228 1 8 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.044 -0.475 19235 5229 1 8 . 1 1 17 17 ILE H H 17 7.797 7.797 7.897 -0.100 19235 5230 1 8 . 1 1 18 18 TYR N N 18 119.139 119.139 119.877 -0.738 19235 5231 1 8 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.979 -0.216 19235 5232 1 8 . 1 1 18 18 TYR C C 18 181.847 181.847 178.454 3.393 19235 5233 1 8 . 1 1 18 18 TYR CA C 18 62.676 62.676 61.997 0.679 19235 5234 1 8 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.438 0.768 19235 5235 1 8 . 1 1 18 18 TYR H H 18 9.072 9.072 7.985 1.087 19235 5236 1 8 . 1 1 19 19 GLN N N 19 120.579 120.579 118.862 1.717 19235 5237 1 8 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.920 -0.045 19235 5238 1 8 . 1 1 19 19 GLN C C 19 178.871 178.871 178.078 0.793 19235 5239 1 8 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.570 1.037 19235 5240 1 8 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.929 -0.747 19235 5241 1 8 . 1 1 19 19 GLN H H 19 8.330 8.330 8.323 0.007 19235 5242 1 8 . 1 1 20 20 ALA N N 20 121.903 121.903 120.404 1.499 19235 5243 1 8 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.229 -0.103 19235 5244 1 8 . 1 1 20 20 ALA C C 20 177.058 177.058 178.344 -1.286 19235 5245 1 8 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.828 -0.758 19235 5246 1 8 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.779 -0.841 19235 5247 1 8 . 1 1 20 20 ALA H H 20 7.451 7.451 7.858 -0.407 19235 5248 1 8 . 1 1 21 21 LEU N N 21 112.471 112.471 113.474 -1.003 19235 5249 1 8 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.415 -0.594 19235 5250 1 8 . 1 1 21 21 LEU C C 21 178.910 178.910 177.280 1.630 19235 5251 1 8 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.582 -1.080 19235 5252 1 8 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.265 1.946 19235 5253 1 8 . 1 1 21 21 LEU H H 21 7.061 7.061 7.455 -0.394 19235 5254 1 8 . 1 1 22 22 THR N N 22 100.722 100.722 106.368 -5.646 19235 5255 1 8 . 1 1 22 22 THR HA H 22 4.558 4.558 4.415 0.143 19235 5256 1 8 . 1 1 22 22 THR C C 22 175.792 175.792 174.775 1.017 19235 5257 1 8 . 1 1 22 22 THR CA C 22 61.081 61.081 61.272 -0.191 19235 5258 1 8 . 1 1 22 22 THR CB C 22 71.747 71.747 70.092 1.655 19235 5259 1 8 . 1 1 22 22 THR H H 22 7.069 7.069 7.368 -0.299 19235 5260 1 8 . 1 1 23 23 THR N N 23 109.777 109.777 118.931 -9.154 19235 5261 1 8 . 1 1 23 23 THR HA H 23 4.893 4.893 4.534 0.359 19235 5262 1 8 . 1 1 23 23 THR C C 23 174.449 174.449 173.823 0.626 19235 5263 1 8 . 1 1 23 23 THR CA C 23 58.343 58.343 61.073 -2.730 19235 5264 1 8 . 1 1 23 23 THR CB C 23 72.836 72.836 71.673 1.163 19235 5265 1 8 . 1 1 23 23 THR H H 23 7.308 7.308 7.737 -0.429 19235 5266 1 8 . 1 1 24 24 ASP N N 24 126.109 126.109 126.404 -0.295 19235 5267 1 8 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.166 0.070 19235 5268 1 8 . 1 1 24 24 ASP C C 24 179.062 179.062 177.568 1.494 19235 5269 1 8 . 1 1 24 24 ASP CA C 24 58.272 58.272 58.128 0.144 19235 5270 1 8 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.191 -0.409 19235 5271 1 8 . 1 1 24 24 ASP H H 24 9.248 9.248 8.913 0.335 19235 5272 1 8 . 1 1 25 25 ASP N N 25 114.688 114.688 116.754 -2.066 19235 5273 1 8 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.433 -0.163 19235 5274 1 8 . 1 1 25 25 ASP C C 25 179.453 179.453 178.504 0.949 19235 5275 1 8 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.943 0.162 19235 5276 1 8 . 1 1 25 25 ASP CB C 25 40.404 40.404 39.998 0.406 19235 5277 1 8 . 1 1 25 25 ASP H H 25 8.640 8.640 8.655 -0.015 19235 5278 1 8 . 1 1 26 26 GLY N N 26 108.020 108.020 107.526 0.494 19235 5279 1 8 . 1 1 26 26 GLY C C 26 176.629 176.629 176.306 0.323 19235 5280 1 8 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.432 0.980 19235 5281 1 8 . 1 1 26 26 GLY H H 26 7.756 7.756 7.427 0.329 19235 5282 1 8 . 1 1 27 27 LEU N N 27 124.486 124.486 122.916 1.570 19235 5283 1 8 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.733 0.815 19235 5284 1 8 . 1 1 27 27 LEU C C 27 180.999 180.999 178.938 2.061 19235 5285 1 8 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.272 0.883 19235 5286 1 8 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.668 2.640 19235 5287 1 8 . 1 1 27 27 LEU H H 27 8.401 8.401 8.190 0.211 19235 5288 1 8 . 1 1 28 28 LYS N N 28 118.482 118.482 116.950 1.532 19235 5289 1 8 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.227 0.038 19235 5290 1 8 . 1 1 28 28 LYS C C 28 179.269 179.269 177.995 1.274 19235 5291 1 8 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.620 -1.673 19235 5292 1 8 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.171 1.474 19235 5293 1 8 . 1 1 28 28 LYS H H 28 7.864 7.864 7.846 0.018 19235 5294 1 8 . 1 1 29 29 LYS N N 29 113.309 113.309 116.425 -3.116 19235 5295 1 8 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.219 -0.024 19235 5296 1 8 . 1 1 29 29 LYS C C 29 178.869 178.869 177.311 1.558 19235 5297 1 8 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.828 -1.002 19235 5298 1 8 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.161 -0.312 19235 5299 1 8 . 1 1 29 29 LYS H H 29 7.666 7.666 7.639 0.027 19235 5300 1 8 . 1 1 30 30 TRP N N 30 108.469 108.469 114.623 -6.154 19235 5301 1 8 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.908 0.352 19235 5302 1 8 . 1 1 30 30 TRP C C 30 176.975 176.975 175.276 1.699 19235 5303 1 8 . 1 1 30 30 TRP CA C 30 55.592 55.592 55.885 -0.293 19235 5304 1 8 . 1 1 30 30 TRP CB C 30 31.448 31.448 28.993 2.455 19235 5305 1 8 . 1 1 30 30 TRP H H 30 7.427 7.427 7.791 -0.364 19235 5306 1 8 . 1 1 31 31 TRP N N 31 124.489 124.489 121.940 2.549 19235 5307 1 8 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.412 0.819 19235 5308 1 8 . 1 1 31 31 TRP C C 31 175.907 175.907 175.953 -0.046 19235 5309 1 8 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.782 -1.095 19235 5310 1 8 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.608 -1.620 19235 5311 1 8 . 1 1 31 31 TRP H H 31 7.525 7.525 7.784 -0.259 19235 5312 1 8 . 1 1 32 32 THR N N 32 107.670 107.670 109.160 -1.490 19235 5313 1 8 . 1 1 32 32 THR HA H 32 5.064 5.064 4.625 0.439 19235 5314 1 8 . 1 1 32 32 THR C C 32 171.071 171.071 174.138 -3.067 19235 5315 1 8 . 1 1 32 32 THR CA C 32 57.486 57.486 60.065 -2.579 19235 5316 1 8 . 1 1 32 32 THR CB C 32 67.302 67.302 71.853 -4.551 19235 5317 1 8 . 1 1 32 32 THR H H 32 6.582 6.582 7.864 -1.282 19235 5318 1 8 . 1 1 33 33 ASN N N 33 118.705 118.705 116.353 2.352 19235 5319 1 8 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.852 -0.137 19235 5320 1 8 . 1 1 33 33 ASN C C 33 176.424 176.424 174.155 2.269 19235 5321 1 8 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.352 0.835 19235 5322 1 8 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.694 -0.816 19235 5323 1 8 . 1 1 33 33 ASN H H 33 8.281 8.281 8.671 -0.390 19235 5324 1 8 . 1 1 34 34 ASP N N 34 121.174 121.174 120.666 0.508 19235 5325 1 8 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.746 -0.016 19235 5326 1 8 . 1 1 34 34 ASP C C 34 174.163 174.163 173.701 0.462 19235 5327 1 8 . 1 1 34 34 ASP CA C 34 52.699 52.699 54.011 -1.312 19235 5328 1 8 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.439 -0.999 19235 5329 1 8 . 1 1 34 34 ASP H H 34 6.751 6.751 7.699 -0.948 19235 5330 1 8 . 1 1 35 35 ILE N N 35 120.932 120.932 122.085 -1.153 19235 5331 1 8 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.674 -0.111 19235 5332 1 8 . 1 1 35 35 ILE C C 35 175.512 175.512 174.752 0.760 19235 5333 1 8 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.639 0.790 19235 5334 1 8 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.040 1.069 19235 5335 1 8 . 1 1 35 35 ILE H H 35 6.805 6.805 8.023 -1.218 19235 5336 1 8 . 1 1 36 36 SER N N 36 117.993 117.993 121.025 -3.032 19235 5337 1 8 . 1 1 36 36 SER HA H 36 4.600 4.600 4.834 -0.234 19235 5338 1 8 . 1 1 36 36 SER C C 36 174.509 174.509 173.447 1.062 19235 5339 1 8 . 1 1 36 36 SER CA C 36 56.936 56.936 56.526 0.410 19235 5340 1 8 . 1 1 36 36 SER CB C 36 65.556 65.556 64.597 0.959 19235 5341 1 8 . 1 1 36 36 SER H H 36 7.508 7.508 8.375 -0.867 19235 5342 1 8 . 1 1 37 37 GLY N N 37 112.153 112.153 114.232 -2.079 19235 5343 1 8 . 1 1 37 37 GLY C C 37 175.786 175.786 172.389 3.397 19235 5344 1 8 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.484 -0.616 19235 5345 1 8 . 1 1 37 37 GLY H H 37 8.914 8.914 8.926 -0.012 19235 5346 1 8 . 1 1 38 38 ALA N N 38 125.303 125.303 123.013 2.290 19235 5347 1 8 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.941 -0.292 19235 5348 1 8 . 1 1 38 38 ALA C C 38 179.569 179.569 176.275 3.294 19235 5349 1 8 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.471 1.828 19235 5350 1 8 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.195 0.071 19235 5351 1 8 . 1 1 38 38 ALA H H 38 10.037 10.037 8.260 1.777 19235 5352 1 8 . 1 1 39 39 GLY N N 39 110.076 110.076 106.789 3.287 19235 5353 1 8 . 1 1 39 39 GLY C C 39 175.023 175.023 174.424 0.599 19235 5354 1 8 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.843 2.087 19235 5355 1 8 . 1 1 39 39 GLY H H 39 6.982 6.982 7.772 -0.790 19235 5356 1 8 . 1 1 40 40 VAL N N 40 114.196 114.196 117.552 -3.356 19235 5357 1 8 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.277 0.007 19235 5358 1 8 . 1 1 40 40 VAL C C 40 177.795 177.795 176.378 1.417 19235 5359 1 8 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.633 -0.500 19235 5360 1 8 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.121 -0.243 19235 5361 1 8 . 1 1 40 40 VAL H H 40 7.857 7.857 7.834 0.023 19235 5362 1 8 . 1 1 41 41 VAL N N 41 120.950 120.950 121.516 -0.566 19235 5363 1 8 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.445 0.123 19235 5364 1 8 . 1 1 41 41 VAL C C 41 177.788 177.788 176.750 1.038 19235 5365 1 8 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.709 1.487 19235 5366 1 8 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.244 -0.056 19235 5367 1 8 . 1 1 41 41 VAL H H 41 8.469 8.469 8.457 0.012 19235 5368 1 8 . 1 1 42 42 GLY N N 42 116.155 116.155 115.555 0.600 19235 5369 1 8 . 1 1 42 42 GLY C C 42 176.032 176.032 174.120 1.912 19235 5370 1 8 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.633 -0.241 19235 5371 1 8 . 1 1 42 42 GLY H H 42 9.266 9.266 8.864 0.402 19235 5372 1 8 . 1 1 43 43 SER N N 43 118.352 118.352 117.370 0.982 19235 5373 1 8 . 1 1 43 43 SER HA H 43 4.385 4.385 4.426 -0.041 19235 5374 1 8 . 1 1 43 43 SER C C 43 173.302 173.302 173.920 -0.618 19235 5375 1 8 . 1 1 43 43 SER CA C 43 59.910 59.910 58.480 1.430 19235 5376 1 8 . 1 1 43 43 SER CB C 43 63.931 63.931 64.424 -0.493 19235 5377 1 8 . 1 1 43 43 SER H H 43 8.408 8.408 8.227 0.181 19235 5378 1 8 . 1 1 44 44 THR N N 44 118.418 118.418 121.578 -3.160 19235 5379 1 8 . 1 1 44 44 THR HA H 44 4.815 4.815 4.631 0.184 19235 5380 1 8 . 1 1 44 44 THR C C 44 173.450 173.450 173.838 -0.388 19235 5381 1 8 . 1 1 44 44 THR CA C 44 62.444 62.444 61.355 1.089 19235 5382 1 8 . 1 1 44 44 THR CB C 44 69.663 69.663 70.647 -0.984 19235 5383 1 8 . 1 1 44 44 THR H H 44 8.386 8.386 8.108 0.278 19235 5384 1 8 . 1 1 45 45 ILE N N 45 127.861 127.861 127.707 0.154 19235 5385 1 8 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.152 -0.314 19235 5386 1 8 . 1 1 45 45 ILE C C 45 176.164 176.164 174.248 1.916 19235 5387 1 8 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.452 -0.029 19235 5388 1 8 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.613 -1.080 19235 5389 1 8 . 1 1 45 45 ILE H H 45 9.423 9.423 8.823 0.600 19235 5390 1 8 . 1 1 46 46 LYS N N 46 125.403 125.403 127.617 -2.214 19235 5391 1 8 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.090 -0.567 19235 5392 1 8 . 1 1 46 46 LYS C C 46 176.574 176.574 175.033 1.541 19235 5393 1 8 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.327 1.300 19235 5394 1 8 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.392 -3.443 19235 5395 1 8 . 1 1 46 46 LYS H H 46 8.388 8.388 8.465 -0.077 19235 5396 1 8 . 1 1 47 47 PHE N N 47 124.081 124.081 124.475 -0.394 19235 5397 1 8 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.663 -0.262 19235 5398 1 8 . 1 1 47 47 PHE C C 47 177.107 177.107 175.035 2.072 19235 5399 1 8 . 1 1 47 47 PHE CA C 47 57.154 57.154 57.000 0.154 19235 5400 1 8 . 1 1 47 47 PHE CB C 47 39.637 39.637 42.029 -2.393 19235 5401 1 8 . 1 1 47 47 PHE H H 47 8.026 8.026 8.597 -0.571 19235 5402 1 8 . 1 1 48 48 ARG N N 48 121.376 121.376 121.121 0.255 19235 5403 1 8 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.353 0.207 19235 5404 1 8 . 1 1 48 48 ARG C C 48 175.042 175.042 175.231 -0.189 19235 5405 1 8 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.932 -4.350 19235 5406 1 8 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.077 1.481 19235 5407 1 8 . 1 1 48 48 ARG H H 48 8.521 8.521 8.417 0.104 19235 5408 1 8 . 1 1 49 49 PHE N N 49 121.884 121.884 124.840 -2.956 19235 5409 1 8 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.758 -0.959 19235 5410 1 8 . 1 1 49 49 PHE C C 49 175.580 175.580 174.327 1.253 19235 5411 1 8 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.863 -1.557 19235 5412 1 8 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.792 -4.682 19235 5413 1 8 . 1 1 49 49 PHE H H 49 8.649 8.649 8.344 0.305 19235 5414 1 8 . 1 1 50 50 ASN N N 50 121.994 121.994 121.559 0.435 19235 5415 1 8 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.441 -0.029 19235 5416 1 8 . 1 1 50 50 ASN C C 50 177.277 177.277 175.564 1.713 19235 5417 1 8 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.676 -0.359 19235 5418 1 8 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.205 -1.081 19235 5419 1 8 . 1 1 50 50 ASN H H 50 9.296 9.296 7.776 1.520 19235 5420 1 8 . 1 1 51 51 GLY N N 51 103.211 103.211 108.064 -4.853 19235 5421 1 8 . 1 1 51 51 GLY C C 51 175.077 175.077 174.818 0.259 19235 5422 1 8 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.125 0.503 19235 5423 1 8 . 1 1 51 51 GLY H H 51 8.532 8.532 7.682 0.850 19235 5424 1 8 . 1 1 52 52 GLY N N 52 106.323 106.323 109.383 -3.060 19235 5425 1 8 . 1 1 52 52 GLY C C 52 173.770 173.770 174.820 -1.050 19235 5426 1 8 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.559 -1.072 19235 5427 1 8 . 1 1 52 52 GLY H H 52 7.215 7.215 8.350 -1.135 19235 5428 1 8 . 1 1 53 53 GLY N N 53 109.867 109.867 109.734 0.133 19235 5429 1 8 . 1 1 53 53 GLY C C 53 169.984 169.984 173.497 -3.513 19235 5430 1 8 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.466 2.038 19235 5431 1 8 . 1 1 53 53 GLY H H 53 8.412 8.412 8.544 -0.132 19235 5432 1 8 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.225 1.138 19235 5433 1 8 . 1 1 54 54 PRO C C 54 175.960 175.960 175.347 0.613 19235 5434 1 8 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.376 0.259 19235 5435 1 8 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.764 0.576 19235 5436 1 8 . 1 1 55 55 ASP N N 55 118.374 118.374 121.036 -2.662 19235 5437 1 8 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.438 0.340 19235 5438 1 8 . 1 1 55 55 ASP C C 55 176.144 176.144 174.331 1.813 19235 5439 1 8 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.037 -1.461 19235 5440 1 8 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.575 -3.103 19235 5441 1 8 . 1 1 55 55 ASP H H 55 6.732 6.732 8.001 -1.269 19235 5442 1 8 . 1 1 56 56 PHE N N 56 116.916 116.916 120.814 -3.898 19235 5443 1 8 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.986 0.097 19235 5444 1 8 . 1 1 56 56 PHE C C 56 175.088 175.088 174.833 0.255 19235 5445 1 8 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.412 0.950 19235 5446 1 8 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.796 1.500 19235 5447 1 8 . 1 1 56 56 PHE H H 56 9.140 9.140 9.022 0.118 19235 5448 1 8 . 1 1 57 57 LYS N N 57 123.219 123.219 124.830 -1.611 19235 5449 1 8 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.608 0.630 19235 5450 1 8 . 1 1 57 57 LYS C C 57 177.979 177.979 175.752 2.227 19235 5451 1 8 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.565 -1.255 19235 5452 1 8 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.350 -0.420 19235 5453 1 8 . 1 1 57 57 LYS H H 57 9.574 9.574 9.014 0.560 19235 5454 1 8 . 1 1 58 58 VAL N N 58 127.037 127.037 128.345 -1.308 19235 5455 1 8 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.599 0.068 19235 5456 1 8 . 1 1 58 58 VAL C C 58 178.738 178.738 176.484 2.254 19235 5457 1 8 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.939 0.817 19235 5458 1 8 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.653 0.080 19235 5459 1 8 . 1 1 58 58 VAL H H 58 9.196 9.196 8.832 0.364 19235 5460 1 8 . 1 1 59 59 THR N N 59 120.775 120.775 120.283 0.492 19235 5461 1 8 . 1 1 59 59 THR HA H 59 4.716 4.716 4.453 0.263 19235 5462 1 8 . 1 1 59 59 THR C C 59 177.001 177.001 174.628 2.373 19235 5463 1 8 . 1 1 59 59 THR CA C 59 62.615 62.615 62.117 0.498 19235 5464 1 8 . 1 1 59 59 THR CB C 59 69.528 69.528 69.749 -0.221 19235 5465 1 8 . 1 1 59 59 THR H H 59 9.470 9.470 9.246 0.224 19235 5466 1 8 . 1 1 60 60 LYS N N 60 123.315 123.315 121.394 1.921 19235 5467 1 8 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.539 -0.107 19235 5468 1 8 . 1 1 60 60 LYS C C 60 174.225 174.225 173.976 0.249 19235 5469 1 8 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.642 1.277 19235 5470 1 8 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.042 -0.711 19235 5471 1 8 . 1 1 60 60 LYS H H 60 7.819 7.819 7.633 0.186 19235 5472 1 8 . 1 1 61 61 LEU N N 61 125.573 125.573 126.725 -1.152 19235 5473 1 8 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.168 0.047 19235 5474 1 8 . 1 1 61 61 LEU C C 61 177.508 177.508 175.876 1.632 19235 5475 1 8 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.644 0.710 19235 5476 1 8 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.584 0.185 19235 5477 1 8 . 1 1 61 61 LEU H H 61 8.354 8.354 8.596 -0.242 19235 5478 1 8 . 1 1 62 62 ILE N N 62 124.326 124.326 124.631 -0.305 19235 5479 1 8 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.614 0.157 19235 5480 1 8 . 1 1 62 62 ILE C C 62 175.200 175.200 174.192 1.008 19235 5481 1 8 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.948 1.008 19235 5482 1 8 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.651 -1.364 19235 5483 1 8 . 1 1 62 62 ILE H H 62 9.340 9.340 9.009 0.331 19235 5484 1 8 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.894 -0.606 19235 5485 1 8 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.249 0.619 19235 5486 1 8 . 1 1 64 64 ASN N N 64 113.559 113.559 115.871 -2.312 19235 5487 1 8 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.895 -0.440 19235 5488 1 8 . 1 1 64 64 ASN C C 64 174.053 174.053 174.291 -0.238 19235 5489 1 8 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.350 1.022 19235 5490 1 8 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.583 0.287 19235 5491 1 8 . 1 1 64 64 ASN H H 64 4.547 4.547 7.016 -2.469 19235 5492 1 8 . 1 1 65 65 LYS N N 65 116.786 116.786 116.036 0.750 19235 5493 1 8 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.532 0.281 19235 5494 1 8 . 1 1 65 65 LYS C C 65 176.349 176.349 175.100 1.249 19235 5495 1 8 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.479 1.549 19235 5496 1 8 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.828 0.609 19235 5497 1 8 . 1 1 65 65 LYS H H 65 8.222 8.222 8.072 0.150 19235 5498 1 8 . 1 1 66 66 THR N N 66 114.184 114.184 116.707 -2.523 19235 5499 1 8 . 1 1 66 66 THR HA H 66 5.462 5.462 5.427 0.035 19235 5500 1 8 . 1 1 66 66 THR C C 66 173.770 173.770 172.846 0.924 19235 5501 1 8 . 1 1 66 66 THR CA C 66 62.725 62.725 61.632 1.093 19235 5502 1 8 . 1 1 66 66 THR CB C 66 73.439 73.439 72.169 1.270 19235 5503 1 8 . 1 1 66 66 THR H H 66 8.667 8.667 7.894 0.773 19235 5504 1 8 . 1 1 67 67 VAL N N 67 127.075 127.075 127.061 0.014 19235 5505 1 8 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.798 -0.092 19235 5506 1 8 . 1 1 67 67 VAL C C 67 176.093 176.093 174.504 1.589 19235 5507 1 8 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.634 1.324 19235 5508 1 8 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.393 0.784 19235 5509 1 8 . 1 1 67 67 VAL H H 67 8.777 8.777 8.747 0.030 19235 5510 1 8 . 1 1 68 68 CYS N N 68 122.749 122.749 126.045 -3.296 19235 5511 1 8 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.335 0.148 19235 5512 1 8 . 1 1 68 68 CYS C C 68 174.607 174.607 174.509 0.098 19235 5513 1 8 . 1 1 68 68 CYS CA C 68 57.137 57.137 57.399 -0.262 19235 5514 1 8 . 1 1 68 68 CYS CB C 68 30.674 30.674 28.880 1.794 19235 5515 1 8 . 1 1 68 68 CYS H H 68 8.987 8.987 8.799 0.188 19235 5516 1 8 . 1 1 69 69 TRP N N 69 123.217 123.217 124.456 -1.239 19235 5517 1 8 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.711 0.601 19235 5518 1 8 . 1 1 69 69 TRP C C 69 178.064 178.064 175.592 2.472 19235 5519 1 8 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.127 -1.329 19235 5520 1 8 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.309 3.831 19235 5521 1 8 . 1 1 69 69 TRP H H 69 9.612 9.612 9.434 0.178 19235 5522 1 8 . 1 1 70 70 GLN N N 70 122.556 122.556 121.065 1.491 19235 5523 1 8 . 1 1 70 70 GLN HA H 70 5.284 5.284 5.014 0.270 19235 5524 1 8 . 1 1 70 70 GLN C C 70 176.295 176.295 174.857 1.438 19235 5525 1 8 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.272 0.615 19235 5526 1 8 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.853 0.424 19235 5527 1 8 . 1 1 70 70 GLN H H 70 10.132 10.132 9.195 0.937 19235 5528 1 8 . 1 1 71 71 HIS N N 71 128.443 128.443 127.624 0.819 19235 5529 1 8 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.465 -0.479 19235 5530 1 8 . 1 1 71 71 HIS C C 71 175.251 175.251 173.912 1.339 19235 5531 1 8 . 1 1 71 71 HIS CA C 71 60.992 60.992 57.985 3.007 19235 5532 1 8 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.190 0.036 19235 5533 1 8 . 1 1 71 71 HIS H H 71 8.947 8.947 8.757 0.190 19235 5534 1 8 . 1 1 72 72 ALA N N 72 131.788 131.788 126.812 4.976 19235 5535 1 8 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.587 0.120 19235 5536 1 8 . 1 1 72 72 ALA C C 72 176.274 176.274 174.534 1.740 19235 5537 1 8 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.479 -0.978 19235 5538 1 8 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.234 -0.862 19235 5539 1 8 . 1 1 72 72 ALA H H 72 7.954 7.954 7.899 0.055 19235 5540 1 8 . 1 1 73 73 GLY N N 73 107.065 107.065 108.010 -0.945 19235 5541 1 8 . 1 1 73 73 GLY C C 73 175.476 175.476 172.919 2.557 19235 5542 1 8 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.310 -0.403 19235 5543 1 8 . 1 1 73 73 GLY H H 73 8.037 8.037 7.953 0.084 19235 5544 1 8 . 1 1 74 74 ASN N N 74 117.053 117.053 118.693 -1.640 19235 5545 1 8 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.829 0.429 19235 5546 1 8 . 1 1 74 74 ASN C C 74 175.858 175.858 175.418 0.440 19235 5547 1 8 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.074 -0.446 19235 5548 1 8 . 1 1 74 74 ASN CB C 74 39.618 39.618 39.043 0.575 19235 5549 1 8 . 1 1 74 74 ASN H H 74 8.214 8.214 8.633 -0.419 19235 5550 1 8 . 1 1 75 75 MET N N 75 118.795 118.795 120.761 -1.966 19235 5551 1 8 . 1 1 75 75 MET HA H 75 4.972 4.972 4.461 0.511 19235 5552 1 8 . 1 1 75 75 MET C C 75 176.426 176.426 174.191 2.235 19235 5553 1 8 . 1 1 75 75 MET CA C 75 52.203 52.203 54.203 -2.000 19235 5554 1 8 . 1 1 75 75 MET CB C 75 35.318 35.318 32.411 2.907 19235 5555 1 8 . 1 1 75 75 MET H H 75 8.685 8.685 7.642 1.043 19235 5556 1 8 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.192 0.726 19235 5557 1 8 . 1 1 76 76 PRO C C 76 179.193 179.193 177.157 2.036 19235 5558 1 8 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.953 -0.057 19235 5559 1 8 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.878 0.991 19235 5560 1 8 . 1 1 77 77 GLU N N 77 124.888 124.888 122.565 2.323 19235 5561 1 8 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.901 -0.099 19235 5562 1 8 . 1 1 77 77 GLU C C 77 181.035 181.035 178.714 2.321 19235 5563 1 8 . 1 1 77 77 GLU CA C 77 60.350 60.350 59.917 0.433 19235 5564 1 8 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.404 -0.237 19235 5565 1 8 . 1 1 77 77 GLU H H 77 9.141 9.141 8.757 0.384 19235 5566 1 8 . 1 1 78 78 SER N N 78 111.049 111.049 112.937 -1.888 19235 5567 1 8 . 1 1 78 78 SER HA H 78 4.335 4.335 4.291 0.044 19235 5568 1 8 . 1 1 78 78 SER C C 78 174.864 174.864 175.406 -0.542 19235 5569 1 8 . 1 1 78 78 SER CA C 78 60.184 60.184 60.604 -0.420 19235 5570 1 8 . 1 1 78 78 SER CB C 78 63.543 63.543 62.786 0.757 19235 5571 1 8 . 1 1 78 78 SER H H 78 8.349 8.349 8.213 0.136 19235 5572 1 8 . 1 1 79 79 TRP N N 79 115.554 115.554 120.325 -4.771 19235 5573 1 8 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.715 -0.400 19235 5574 1 8 . 1 1 79 79 TRP C C 79 178.135 178.135 177.909 0.226 19235 5575 1 8 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.501 -1.837 19235 5576 1 8 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.611 -2.655 19235 5577 1 8 . 1 1 79 79 TRP H H 79 7.492 7.492 7.569 -0.077 19235 5578 1 8 . 1 1 80 80 MET N N 80 123.060 123.060 119.549 3.511 19235 5579 1 8 . 1 1 80 80 MET HA H 80 4.677 4.677 4.822 -0.145 19235 5580 1 8 . 1 1 80 80 MET C C 80 179.026 179.026 179.047 -0.021 19235 5581 1 8 . 1 1 80 80 MET CA C 80 58.410 58.410 59.032 -0.623 19235 5582 1 8 . 1 1 80 80 MET CB C 80 32.136 32.136 33.295 -1.159 19235 5583 1 8 . 1 1 80 80 MET H H 80 7.570 7.570 8.198 -0.628 19235 5584 1 8 . 1 1 81 81 GLY N N 81 112.489 112.489 107.935 4.554 19235 5585 1 8 . 1 1 81 81 GLY C C 81 176.316 176.316 173.802 2.514 19235 5586 1 8 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.718 1.138 19235 5587 1 8 . 1 1 81 81 GLY H H 81 9.025 9.025 8.033 0.992 19235 5588 1 8 . 1 1 82 82 THR N N 82 110.515 110.515 111.800 -1.285 19235 5589 1 8 . 1 1 82 82 THR HA H 82 4.925 4.925 4.523 0.402 19235 5590 1 8 . 1 1 82 82 THR C C 82 175.233 175.233 173.099 2.134 19235 5591 1 8 . 1 1 82 82 THR CA C 82 61.666 61.666 59.963 1.703 19235 5592 1 8 . 1 1 82 82 THR CB C 82 72.105 72.105 71.506 0.599 19235 5593 1 8 . 1 1 82 82 THR H H 82 8.201 8.201 7.767 0.434 19235 5594 1 8 . 1 1 83 83 GLU N N 83 117.578 117.578 120.779 -3.201 19235 5595 1 8 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.234 0.070 19235 5596 1 8 . 1 1 83 83 GLU C C 83 175.305 175.305 174.643 0.662 19235 5597 1 8 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.992 -0.163 19235 5598 1 8 . 1 1 83 83 GLU CB C 83 33.779 33.779 34.261 -0.482 19235 5599 1 8 . 1 1 83 83 GLU H H 83 8.098 8.098 8.451 -0.353 19235 5600 1 8 . 1 1 84 84 ILE N N 84 122.729 122.729 120.876 1.853 19235 5601 1 8 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.658 0.186 19235 5602 1 8 . 1 1 84 84 ILE C C 84 175.731 175.731 174.155 1.576 19235 5603 1 8 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.695 -0.563 19235 5604 1 8 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.622 -0.157 19235 5605 1 8 . 1 1 84 84 ILE H H 84 9.191 9.191 8.985 0.206 19235 5606 1 8 . 1 1 85 85 SER N N 85 119.684 119.684 119.953 -0.269 19235 5607 1 8 . 1 1 85 85 SER HA H 85 5.269 5.269 4.916 0.353 19235 5608 1 8 . 1 1 85 85 SER C C 85 173.140 173.140 172.979 0.161 19235 5609 1 8 . 1 1 85 85 SER CA C 85 55.616 55.616 55.748 -0.132 19235 5610 1 8 . 1 1 85 85 SER CB C 85 66.396 66.396 64.924 1.472 19235 5611 1 8 . 1 1 85 85 SER H H 85 8.264 8.264 8.446 -0.182 19235 5612 1 8 . 1 1 86 86 PHE N N 86 120.734 120.734 125.277 -4.543 19235 5613 1 8 . 1 1 86 86 PHE HA H 86 4.808 4.808 4.990 -0.182 19235 5614 1 8 . 1 1 86 86 PHE C C 86 175.882 175.882 174.540 1.342 19235 5615 1 8 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.331 -0.186 19235 5616 1 8 . 1 1 86 86 PHE CB C 86 41.089 41.089 39.698 1.391 19235 5617 1 8 . 1 1 86 86 PHE H H 86 9.202 9.202 9.172 0.030 19235 5618 1 8 . 1 1 87 87 GLN N N 87 120.452 120.452 124.444 -3.992 19235 5619 1 8 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.080 0.341 19235 5620 1 8 . 1 1 87 87 GLN C C 87 176.561 176.561 174.711 1.850 19235 5621 1 8 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.113 -0.163 19235 5622 1 8 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.321 0.380 19235 5623 1 8 . 1 1 87 87 GLN H H 87 8.663 8.663 8.753 -0.090 19235 5624 1 8 . 1 1 88 88 LEU N N 88 126.610 126.610 129.291 -2.681 19235 5625 1 8 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.139 0.311 19235 5626 1 8 . 1 1 88 88 LEU C C 88 178.015 178.015 176.783 1.232 19235 5627 1 8 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.063 0.223 19235 5628 1 8 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.010 -1.045 19235 5629 1 8 . 1 1 88 88 LEU H H 88 9.315 9.315 8.820 0.495 19235 5630 1 8 . 1 1 89 89 GLU N N 89 123.568 123.568 124.768 -1.200 19235 5631 1 8 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.690 0.102 19235 5632 1 8 . 1 1 89 89 GLU C C 89 176.006 176.006 175.469 0.537 19235 5633 1 8 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.466 0.992 19235 5634 1 8 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.892 -0.267 19235 5635 1 8 . 1 1 89 89 GLU H H 89 8.862 8.862 9.111 -0.249 19235 5636 1 8 . 1 1 90 90 THR N N 90 124.266 124.266 123.108 1.158 19235 5637 1 8 . 1 1 90 90 THR HA H 90 4.828 4.828 4.048 0.780 19235 5638 1 8 . 1 1 90 90 THR C C 90 175.572 175.572 174.037 1.535 19235 5639 1 8 . 1 1 90 90 THR CA C 90 63.397 63.397 63.836 -0.439 19235 5640 1 8 . 1 1 90 90 THR CB C 90 69.628 69.628 69.251 0.377 19235 5641 1 8 . 1 1 90 90 THR H H 90 9.120 9.120 8.584 0.536 19235 5642 1 8 . 1 1 91 91 VAL N N 91 125.506 125.506 126.048 -0.542 19235 5643 1 8 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.142 0.355 19235 5644 1 8 . 1 1 91 91 VAL C C 91 176.665 176.665 175.570 1.095 19235 5645 1 8 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.977 1.214 19235 5646 1 8 . 1 1 91 91 VAL CB C 91 33.502 33.502 34.041 -0.539 19235 5647 1 8 . 1 1 91 91 VAL H H 91 8.729 8.729 8.137 0.592 19235 5648 1 8 . 1 1 92 92 GLU C C 92 177.778 177.778 176.859 0.919 19235 5649 1 8 . 1 1 93 93 ASN N N 93 115.899 115.899 115.539 0.360 19235 5650 1 8 . 1 1 93 93 ASN C C 93 174.644 174.644 175.268 -0.624 19235 5651 1 8 . 1 1 93 93 ASN H H 93 8.372 8.372 8.270 0.102 19235 5652 1 8 . 1 1 94 94 GLN N N 94 114.412 114.412 116.615 -2.203 19235 5653 1 8 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.523 0.095 19235 5654 1 8 . 1 1 94 94 GLN C C 94 173.810 173.810 174.067 -0.257 19235 5655 1 8 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.643 0.020 19235 5656 1 8 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.592 -2.813 19235 5657 1 8 . 1 1 94 94 GLN H H 94 7.505 7.505 7.654 -0.149 19235 5658 1 8 . 1 1 95 95 THR N N 95 117.223 117.223 116.600 0.623 19235 5659 1 8 . 1 1 95 95 THR HA H 95 4.889 4.889 4.855 0.034 19235 5660 1 8 . 1 1 95 95 THR C C 95 175.599 175.599 173.463 2.136 19235 5661 1 8 . 1 1 95 95 THR CA C 95 61.633 61.633 61.703 -0.070 19235 5662 1 8 . 1 1 95 95 THR CB C 95 70.071 70.071 70.802 -0.731 19235 5663 1 8 . 1 1 95 95 THR H H 95 8.975 8.975 8.555 0.420 19235 5664 1 8 . 1 1 96 96 PHE N N 96 125.360 125.360 125.938 -0.578 19235 5665 1 8 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.830 -0.098 19235 5666 1 8 . 1 1 96 96 PHE C C 96 176.859 176.859 175.039 1.820 19235 5667 1 8 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.516 3.664 19235 5668 1 8 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.235 -0.141 19235 5669 1 8 . 1 1 96 96 PHE H H 96 9.499 9.499 9.266 0.233 19235 5670 1 8 . 1 1 97 97 VAL N N 97 122.027 122.027 124.255 -2.228 19235 5671 1 8 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.339 0.178 19235 5672 1 8 . 1 1 97 97 VAL C C 97 175.876 175.876 175.223 0.653 19235 5673 1 8 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.716 -0.353 19235 5674 1 8 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.717 -0.338 19235 5675 1 8 . 1 1 97 97 VAL H H 97 9.394 9.394 9.083 0.311 19235 5676 1 8 . 1 1 98 98 ARG N N 98 126.680 126.680 127.460 -0.780 19235 5677 1 8 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.806 -0.615 19235 5678 1 8 . 1 1 98 98 ARG C C 98 176.185 176.185 174.695 1.490 19235 5679 1 8 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.872 -0.071 19235 5680 1 8 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.169 -1.669 19235 5681 1 8 . 1 1 98 98 ARG H H 98 9.245 9.245 9.102 0.143 19235 5682 1 8 . 1 1 99 99 PHE N N 99 131.125 131.125 128.401 2.724 19235 5683 1 8 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.066 -0.194 19235 5684 1 8 . 1 1 99 99 PHE C C 99 174.793 174.793 173.743 1.050 19235 5685 1 8 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.623 0.104 19235 5686 1 8 . 1 1 99 99 PHE CB C 99 42.571 42.571 41.342 1.229 19235 5687 1 8 . 1 1 99 99 PHE H H 99 8.723 8.723 8.926 -0.203 19235 5688 1 8 . 1 1 100 100 THR N N 100 124.512 124.512 126.475 -1.963 19235 5689 1 8 . 1 1 100 100 THR HA H 100 5.062 5.062 5.137 -0.075 19235 5690 1 8 . 1 1 100 100 THR C C 100 173.105 173.105 172.245 0.860 19235 5691 1 8 . 1 1 100 100 THR CA C 100 59.971 59.971 61.003 -1.032 19235 5692 1 8 . 1 1 100 100 THR CB C 100 71.127 71.127 70.453 0.674 19235 5693 1 8 . 1 1 100 100 THR H H 100 8.020 8.020 8.054 -0.034 19235 5694 1 8 . 1 1 101 101 HIS N N 101 127.719 127.719 127.323 0.396 19235 5695 1 8 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.463 -0.420 19235 5696 1 8 . 1 1 101 101 HIS C C 101 176.440 176.440 173.481 2.959 19235 5697 1 8 . 1 1 101 101 HIS CA C 101 52.905 52.905 54.624 -1.719 19235 5698 1 8 . 1 1 101 101 HIS CB C 101 32.335 32.335 33.027 -0.692 19235 5699 1 8 . 1 1 101 101 HIS H H 101 8.714 8.714 9.225 -0.511 19235 5700 1 8 . 1 1 102 102 SER N N 102 121.048 121.048 122.787 -1.739 19235 5701 1 8 . 1 1 102 102 SER HA H 102 5.023 5.023 4.924 0.099 19235 5702 1 8 . 1 1 102 102 SER C C 102 175.564 175.564 173.737 1.827 19235 5703 1 8 . 1 1 102 102 SER CA C 102 57.264 57.264 56.919 0.345 19235 5704 1 8 . 1 1 102 102 SER CB C 102 66.564 66.564 65.410 1.154 19235 5705 1 8 . 1 1 102 102 SER H H 102 9.804 9.804 7.707 2.097 19235 5706 1 8 . 1 1 103 103 ASN N N 103 110.931 110.931 114.815 -3.884 19235 5707 1 8 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.441 -0.049 19235 5708 1 8 . 1 1 103 103 ASN C C 103 176.631 176.631 174.002 2.629 19235 5709 1 8 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.377 0.009 19235 5710 1 8 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.448 0.085 19235 5711 1 8 . 1 1 103 103 ASN H H 103 8.304 8.304 8.587 -0.283 19235 5712 1 8 . 1 1 104 104 TRP N N 104 119.944 119.944 119.866 0.078 19235 5713 1 8 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.857 -0.575 19235 5714 1 8 . 1 1 104 104 TRP C C 104 179.325 179.325 176.919 2.406 19235 5715 1 8 . 1 1 104 104 TRP CA C 104 58.316 58.316 57.191 1.125 19235 5716 1 8 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.098 -2.375 19235 5717 1 8 . 1 1 104 104 TRP H H 104 8.669 8.669 8.780 -0.111 19235 5718 1 8 . 1 1 105 105 HIS N N 105 121.315 121.315 124.299 -2.984 19235 5719 1 8 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.399 0.067 19235 5720 1 8 . 1 1 105 105 HIS C C 105 176.866 176.866 175.219 1.647 19235 5721 1 8 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.704 0.722 19235 5722 1 8 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.983 0.035 19235 5723 1 8 . 1 1 105 105 HIS H H 105 8.919 8.919 9.185 -0.266 19235 5724 1 8 . 1 1 106 106 GLU N N 106 112.392 112.392 115.485 -3.093 19235 5725 1 8 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.551 -0.022 19235 5726 1 8 . 1 1 106 106 GLU C C 106 175.482 175.482 175.731 -0.249 19235 5727 1 8 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.520 -1.174 19235 5728 1 8 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.580 0.736 19235 5729 1 8 . 1 1 106 106 GLU H H 106 7.800 7.800 8.075 -0.275 19235 5730 1 8 . 1 1 107 107 THR N N 107 117.872 117.872 113.777 4.095 19235 5731 1 8 . 1 1 107 107 THR HA H 107 4.261 4.261 4.246 0.015 19235 5732 1 8 . 1 1 107 107 THR C C 107 175.517 175.517 174.561 0.956 19235 5733 1 8 . 1 1 107 107 THR CA C 107 63.456 63.456 61.941 1.515 19235 5734 1 8 . 1 1 107 107 THR CB C 107 68.072 68.072 67.686 0.385 19235 5735 1 8 . 1 1 107 107 THR H H 107 8.668 8.668 8.444 0.224 19235 5736 1 8 . 1 1 108 108 THR N N 108 116.177 116.177 117.457 -1.280 19235 5737 1 8 . 1 1 108 108 THR HA H 108 4.720 4.720 4.487 0.233 19235 5738 1 8 . 1 1 108 108 THR C C 108 176.376 176.376 175.345 1.031 19235 5739 1 8 . 1 1 108 108 THR CA C 108 59.356 59.356 59.990 -0.634 19235 5740 1 8 . 1 1 108 108 THR CB C 108 73.275 73.275 70.848 2.427 19235 5741 1 8 . 1 1 108 108 THR H H 108 6.802 6.802 7.953 -1.151 19235 5742 1 8 . 1 1 109 109 ASP C C 109 179.100 179.100 177.544 1.556 19235 5743 1 8 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.415 1.045 19235 5744 1 8 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.338 -0.170 19235 5745 1 8 . 1 1 110 110 PHE N N 110 119.151 119.151 121.207 -2.056 19235 5746 1 8 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.905 0.646 19235 5747 1 8 . 1 1 110 110 PHE C C 110 179.054 179.054 176.937 2.117 19235 5748 1 8 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.816 -0.105 19235 5749 1 8 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.985 -0.558 19235 5750 1 8 . 1 1 110 110 PHE H H 110 8.463 8.463 7.459 1.004 19235 5751 1 8 . 1 1 111 111 MET N N 111 122.801 122.801 118.680 4.121 19235 5752 1 8 . 1 1 111 111 MET HA H 111 3.061 3.061 3.255 -0.194 19235 5753 1 8 . 1 1 111 111 MET C C 111 178.661 178.661 177.249 1.412 19235 5754 1 8 . 1 1 111 111 MET CA C 111 59.888 59.888 57.639 2.249 19235 5755 1 8 . 1 1 111 111 MET CB C 111 31.587 31.587 30.994 0.593 19235 5756 1 8 . 1 1 111 111 MET H H 111 8.261 8.261 7.727 0.534 19235 5757 1 8 . 1 1 112 112 ALA N N 112 121.236 121.236 121.164 0.072 19235 5758 1 8 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.611 0.226 19235 5759 1 8 . 1 1 112 112 ALA C C 112 179.201 179.201 179.199 0.002 19235 5760 1 8 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.873 -0.084 19235 5761 1 8 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.571 0.592 19235 5762 1 8 . 1 1 112 112 ALA H H 112 7.744 7.744 7.497 0.247 19235 5763 1 8 . 1 1 113 113 HIS N N 113 116.411 116.411 117.608 -1.197 19235 5764 1 8 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.036 0.297 19235 5765 1 8 . 1 1 113 113 HIS C C 113 178.145 178.145 177.743 0.402 19235 5766 1 8 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.351 1.850 19235 5767 1 8 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.567 0.274 19235 5768 1 8 . 1 1 113 113 HIS H H 113 8.275 8.275 7.832 0.443 19235 5769 1 8 . 1 1 114 114 CYS N N 114 114.740 114.740 116.604 -1.864 19235 5770 1 8 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.415 0.546 19235 5771 1 8 . 1 1 114 114 CYS C C 114 177.431 177.431 175.611 1.820 19235 5772 1 8 . 1 1 114 114 CYS CA C 114 63.491 63.491 62.813 0.678 19235 5773 1 8 . 1 1 114 114 CYS CB C 114 26.608 26.608 25.813 0.795 19235 5774 1 8 . 1 1 114 114 CYS H H 114 8.456 8.456 7.614 0.842 19235 5775 1 8 . 1 1 115 115 ASN N N 115 120.985 120.985 118.467 2.518 19235 5776 1 8 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.012 0.697 19235 5777 1 8 . 1 1 115 115 ASN C C 115 179.521 179.521 176.886 2.635 19235 5778 1 8 . 1 1 115 115 ASN CA C 115 58.086 58.086 55.922 2.164 19235 5779 1 8 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.268 0.651 19235 5780 1 8 . 1 1 115 115 ASN H H 115 8.983 8.983 7.653 1.330 19235 5781 1 8 . 1 1 116 116 THR N N 116 119.651 119.651 112.309 7.342 19235 5782 1 8 . 1 1 116 116 THR HA H 116 4.227 4.227 3.830 0.397 19235 5783 1 8 . 1 1 116 116 THR C C 116 177.405 177.405 176.624 0.781 19235 5784 1 8 . 1 1 116 116 THR CA C 116 67.150 67.150 65.614 1.536 19235 5785 1 8 . 1 1 116 116 THR CB C 116 68.365 68.365 68.616 -0.251 19235 5786 1 8 . 1 1 116 116 THR H H 116 8.704 8.704 7.578 1.126 19235 5787 1 8 . 1 1 117 117 LYS N N 117 121.343 121.343 121.889 -0.546 19235 5788 1 8 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.507 0.773 19235 5789 1 8 . 1 1 117 117 LYS C C 117 180.250 180.250 178.333 1.917 19235 5790 1 8 . 1 1 117 117 LYS CA C 117 57.102 57.102 58.775 -1.673 19235 5791 1 8 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.621 -1.135 19235 5792 1 8 . 1 1 117 117 LYS H H 117 9.148 9.148 7.389 1.759 19235 5793 1 8 . 1 1 118 118 TRP N N 118 117.603 117.603 119.494 -1.891 19235 5794 1 8 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.192 0.688 19235 5795 1 8 . 1 1 118 118 TRP C C 118 180.118 180.118 178.350 1.768 19235 5796 1 8 . 1 1 118 118 TRP CA C 118 59.768 59.768 58.760 1.008 19235 5797 1 8 . 1 1 118 118 TRP CB C 118 30.516 30.516 28.157 2.359 19235 5798 1 8 . 1 1 118 118 TRP H H 118 9.212 9.212 7.832 1.380 19235 5799 1 8 . 1 1 119 119 ALA N N 119 117.358 117.358 121.441 -4.083 19235 5800 1 8 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.973 -0.550 19235 5801 1 8 . 1 1 119 119 ALA C C 119 179.726 179.726 179.662 0.064 19235 5802 1 8 . 1 1 119 119 ALA CA C 119 55.525 55.525 55.042 0.483 19235 5803 1 8 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.889 0.501 19235 5804 1 8 . 1 1 119 119 ALA H H 119 7.132 7.132 7.375 -0.243 19235 5805 1 8 . 1 1 120 120 VAL N N 120 112.004 112.004 118.936 -6.932 19235 5806 1 8 . 1 1 120 120 VAL H H 120 7.188 7.188 7.387 -0.199 19235 5807 1 8 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.308 0.757 19235 5808 1 8 . 1 1 121 121 PHE C C 121 178.810 178.810 178.671 0.139 19235 5809 1 8 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.611 2.054 19235 5810 1 8 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.691 0.112 19235 5811 1 8 . 1 1 122 122 LEU N N 122 121.854 121.854 119.335 2.519 19235 5812 1 8 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.807 0.194 19235 5813 1 8 . 1 1 122 122 LEU C C 122 180.149 180.149 178.956 1.193 19235 5814 1 8 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.725 -0.146 19235 5815 1 8 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.744 -2.070 19235 5816 1 8 . 1 1 122 122 LEU H H 122 8.598 8.598 7.832 0.766 19235 5817 1 8 . 1 1 123 123 LEU N N 123 120.284 120.284 119.722 0.562 19235 5818 1 8 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.796 0.214 19235 5819 1 8 . 1 1 123 123 LEU C C 123 179.701 179.701 179.049 0.652 19235 5820 1 8 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.417 -0.526 19235 5821 1 8 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.229 -0.996 19235 5822 1 8 . 1 1 123 123 LEU H H 123 8.154 8.154 8.313 -0.159 19235 5823 1 8 . 1 1 124 124 SER N N 124 113.478 113.478 115.184 -1.706 19235 5824 1 8 . 1 1 124 124 SER HA H 124 4.586 4.586 4.170 0.416 19235 5825 1 8 . 1 1 124 124 SER C C 124 177.749 177.749 176.561 1.188 19235 5826 1 8 . 1 1 124 124 SER CA C 124 60.660 60.660 61.431 -0.771 19235 5827 1 8 . 1 1 124 124 SER CB C 124 62.601 62.601 63.322 -0.721 19235 5828 1 8 . 1 1 124 124 SER H H 124 7.537 7.537 8.239 -0.702 19235 5829 1 8 . 1 1 125 125 LEU N N 125 120.955 120.955 122.873 -1.918 19235 5830 1 8 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.546 0.120 19235 5831 1 8 . 1 1 125 125 LEU C C 125 177.940 177.940 177.618 0.322 19235 5832 1 8 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.245 1.276 19235 5833 1 8 . 1 1 125 125 LEU CB C 125 39.723 39.723 40.918 -1.195 19235 5834 1 8 . 1 1 125 125 LEU H H 125 8.021 8.021 8.061 -0.040 19235 5835 1 8 . 1 1 126 126 LYS N N 126 118.428 118.428 119.447 -1.019 19235 5836 1 8 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.933 0.638 19235 5837 1 8 . 1 1 126 126 LYS C C 126 178.885 178.885 178.591 0.294 19235 5838 1 8 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.779 0.387 19235 5839 1 8 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.108 0.988 19235 5840 1 8 . 1 1 126 126 LYS H H 126 7.899 7.899 8.035 -0.136 19235 5841 1 8 . 1 1 127 127 ASP N N 127 119.536 119.536 119.989 -0.453 19235 5842 1 8 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.470 0.063 19235 5843 1 8 . 1 1 127 127 ASP C C 127 180.864 180.864 178.434 2.430 19235 5844 1 8 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.169 0.577 19235 5845 1 8 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.389 -0.554 19235 5846 1 8 . 1 1 127 127 ASP H H 127 8.620 8.620 8.067 0.553 19235 5847 1 8 . 1 1 128 128 ALA N N 128 123.280 123.280 122.787 0.493 19235 5848 1 8 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.197 -0.470 19235 5849 1 8 . 1 1 128 128 ALA C C 128 181.336 181.336 179.527 1.809 19235 5850 1 8 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.340 0.180 19235 5851 1 8 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.763 -1.615 19235 5852 1 8 . 1 1 128 128 ALA H H 128 9.439 9.439 8.033 1.406 19235 5853 1 8 . 1 1 129 129 LEU N N 129 115.298 115.298 118.071 -2.773 19235 5854 1 8 . 1 1 129 129 LEU HA H 129 4.205 4.205 3.994 0.211 19235 5855 1 8 . 1 1 129 129 LEU C C 129 179.484 179.484 178.781 0.703 19235 5856 1 8 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.550 -1.898 19235 5857 1 8 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.923 -0.404 19235 5858 1 8 . 1 1 129 129 LEU H H 129 7.664 7.664 7.782 -0.118 19235 5859 1 8 . 1 1 130 130 GLU N N 130 117.821 117.821 118.362 -0.541 19235 5860 1 8 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.100 0.198 19235 5861 1 8 . 1 1 130 130 GLU C C 130 179.567 179.567 177.925 1.642 19235 5862 1 8 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.750 0.134 19235 5863 1 8 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.359 0.442 19235 5864 1 8 . 1 1 130 130 GLU H H 130 8.605 8.605 7.861 0.744 19235 5865 1 8 . 1 1 131 131 ILE N N 131 112.140 112.140 116.104 -3.964 19235 5866 1 8 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.284 0.430 19235 5867 1 8 . 1 1 131 131 ILE C C 131 178.233 178.233 177.195 1.038 19235 5868 1 8 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.712 -0.719 19235 5869 1 8 . 1 1 131 131 ILE CB C 131 39.576 39.576 40.191 -0.616 19235 5870 1 8 . 1 1 131 131 ILE H H 131 8.552 8.552 7.756 0.796 19235 5871 1 8 . 1 1 132 132 GLY N N 132 108.998 108.998 107.441 1.557 19235 5872 1 8 . 1 1 132 132 GLY C C 132 174.957 174.957 174.851 0.106 19235 5873 1 8 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.025 1.054 19235 5874 1 8 . 1 1 132 132 GLY H H 132 7.269 7.269 8.314 -1.045 19235 5875 1 8 . 1 1 133 133 LYS N N 133 120.920 120.920 120.006 0.914 19235 5876 1 8 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.164 0.488 19235 5877 1 8 . 1 1 133 133 LYS C C 133 175.857 175.857 177.924 -2.067 19235 5878 1 8 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.406 -1.645 19235 5879 1 8 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.765 1.200 19235 5880 1 8 . 1 1 133 133 LYS H H 133 7.024 7.024 7.861 -0.837 19235 5881 1 9 . 1 1 2 2 VAL N N 2 117.791 117.791 122.670 -4.879 19235 5882 1 9 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.440 0.006 19235 5883 1 9 . 1 1 2 2 VAL C C 2 174.276 174.276 174.177 0.099 19235 5884 1 9 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.771 -1.069 19235 5885 1 9 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.051 2.112 19235 5886 1 9 . 1 1 2 2 VAL H H 2 8.851 8.851 8.603 0.248 19235 5887 1 9 . 1 1 3 3 ASN N N 3 117.814 117.814 122.268 -4.454 19235 5888 1 9 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.492 -0.041 19235 5889 1 9 . 1 1 3 3 ASN C C 3 175.197 175.197 174.160 1.037 19235 5890 1 9 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.756 -0.298 19235 5891 1 9 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.886 -0.706 19235 5892 1 9 . 1 1 3 3 ASN H H 3 8.262 8.262 8.483 -0.221 19235 5893 1 9 . 1 1 4 4 ILE N N 4 121.231 121.231 119.924 1.307 19235 5894 1 9 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.222 -0.260 19235 5895 1 9 . 1 1 4 4 ILE C C 4 175.278 175.278 174.505 0.773 19235 5896 1 9 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.799 0.212 19235 5897 1 9 . 1 1 4 4 ILE CB C 4 40.337 40.337 39.972 0.365 19235 5898 1 9 . 1 1 4 4 ILE H H 4 8.533 8.533 8.847 -0.314 19235 5899 1 9 . 1 1 5 5 ASN N N 5 125.228 125.228 126.724 -1.496 19235 5900 1 9 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.405 0.161 19235 5901 1 9 . 1 1 5 5 ASN C C 5 174.061 174.061 173.884 0.177 19235 5902 1 9 . 1 1 5 5 ASN CA C 5 52.660 52.660 51.898 0.762 19235 5903 1 9 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.850 1.811 19235 5904 1 9 . 1 1 5 5 ASN H H 5 8.109 8.109 8.781 -0.672 19235 5905 1 9 . 1 1 6 6 HIS N N 6 120.724 120.724 126.153 -5.429 19235 5906 1 9 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.918 0.367 19235 5907 1 9 . 1 1 6 6 HIS C C 6 177.102 177.102 173.047 4.055 19235 5908 1 9 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.385 0.241 19235 5909 1 9 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.895 4.669 19235 5910 1 9 . 1 1 6 6 HIS H H 6 9.450 9.450 9.130 0.320 19235 5911 1 9 . 1 1 7 7 ARG N N 7 124.674 124.674 123.390 1.284 19235 5912 1 9 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.324 -0.485 19235 5913 1 9 . 1 1 7 7 ARG C C 7 174.633 174.633 174.864 -0.231 19235 5914 1 9 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.529 2.071 19235 5915 1 9 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.350 0.232 19235 5916 1 9 . 1 1 7 7 ARG H H 7 8.973 8.973 7.904 1.069 19235 5917 1 9 . 1 1 8 8 ILE N N 8 120.886 120.886 122.561 -1.675 19235 5918 1 9 . 1 1 8 8 ILE H H 8 8.405 8.405 8.983 -0.578 19235 5919 1 9 . 1 1 10 10 ILE N N 10 120.117 120.117 122.359 -2.242 19235 5920 1 9 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.571 -0.888 19235 5921 1 9 . 1 1 10 10 ILE C C 10 177.081 177.081 175.379 1.702 19235 5922 1 9 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.012 -0.209 19235 5923 1 9 . 1 1 10 10 ILE CB C 10 40.775 40.775 42.026 -1.250 19235 5924 1 9 . 1 1 10 10 ILE H H 10 8.604 8.604 8.870 -0.266 19235 5925 1 9 . 1 1 11 11 LYS N N 11 133.535 133.535 127.336 6.199 19235 5926 1 9 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.302 0.189 19235 5927 1 9 . 1 1 11 11 LYS C C 11 174.943 174.943 175.010 -0.067 19235 5928 1 9 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.404 -1.300 19235 5929 1 9 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.549 -1.468 19235 5930 1 9 . 1 1 11 11 LYS H H 11 10.550 10.550 8.955 1.595 19235 5931 1 9 . 1 1 12 12 ALA N N 12 123.135 123.135 122.565 0.570 19235 5932 1 9 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.684 -0.163 19235 5933 1 9 . 1 1 12 12 ALA C C 12 176.178 176.178 175.370 0.808 19235 5934 1 9 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.226 -0.462 19235 5935 1 9 . 1 1 12 12 ALA CB C 12 22.027 22.027 21.906 0.121 19235 5936 1 9 . 1 1 12 12 ALA H H 12 7.933 7.933 8.091 -0.158 19235 5937 1 9 . 1 1 13 13 SER N N 13 116.710 116.710 115.602 1.108 19235 5938 1 9 . 1 1 13 13 SER HA H 13 4.588 4.588 4.722 -0.134 19235 5939 1 9 . 1 1 13 13 SER C C 13 174.197 174.197 174.730 -0.533 19235 5940 1 9 . 1 1 13 13 SER CA C 13 56.147 56.147 55.757 0.390 19235 5941 1 9 . 1 1 13 13 SER CB C 13 62.656 62.656 64.016 -1.360 19235 5942 1 9 . 1 1 13 13 SER H H 13 8.492 8.492 8.545 -0.053 19235 5943 1 9 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.262 -0.210 19235 5944 1 9 . 1 1 14 14 PRO C C 14 178.833 178.833 178.566 0.267 19235 5945 1 9 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.261 0.286 19235 5946 1 9 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.806 -0.497 19235 5947 1 9 . 1 1 15 15 GLU N N 15 116.821 116.821 120.283 -3.462 19235 5948 1 9 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.384 -0.116 19235 5949 1 9 . 1 1 15 15 GLU C C 15 180.574 180.574 178.523 2.051 19235 5950 1 9 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.491 0.174 19235 5951 1 9 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.124 -0.520 19235 5952 1 9 . 1 1 15 15 GLU H H 15 8.821 8.821 8.619 0.202 19235 5953 1 9 . 1 1 16 16 LYS N N 16 120.446 120.446 119.268 1.178 19235 5954 1 9 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.158 -0.127 19235 5955 1 9 . 1 1 16 16 LYS C C 16 181.277 181.277 179.381 1.896 19235 5956 1 9 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.550 -0.818 19235 5957 1 9 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.602 -0.686 19235 5958 1 9 . 1 1 16 16 LYS H H 16 7.634 7.634 7.866 -0.232 19235 5959 1 9 . 1 1 17 17 ILE N N 17 120.100 120.100 120.015 0.085 19235 5960 1 9 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.696 -0.266 19235 5961 1 9 . 1 1 17 17 ILE C C 17 177.873 177.873 177.697 0.176 19235 5962 1 9 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.261 -0.212 19235 5963 1 9 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.217 -0.648 19235 5964 1 9 . 1 1 17 17 ILE H H 17 7.797 7.797 7.938 -0.141 19235 5965 1 9 . 1 1 18 18 TYR N N 18 119.139 119.139 119.833 -0.694 19235 5966 1 9 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.987 -0.224 19235 5967 1 9 . 1 1 18 18 TYR C C 18 181.847 181.847 178.414 3.433 19235 5968 1 9 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.012 0.664 19235 5969 1 9 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.508 0.698 19235 5970 1 9 . 1 1 18 18 TYR H H 18 9.072 9.072 8.045 1.027 19235 5971 1 9 . 1 1 19 19 GLN N N 19 120.579 120.579 118.711 1.868 19235 5972 1 9 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.996 -0.121 19235 5973 1 9 . 1 1 19 19 GLN C C 19 178.871 178.871 178.857 0.014 19235 5974 1 9 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.483 1.124 19235 5975 1 9 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.834 -0.652 19235 5976 1 9 . 1 1 19 19 GLN H H 19 8.330 8.330 8.512 -0.182 19235 5977 1 9 . 1 1 20 20 ALA N N 20 121.903 121.903 121.997 -0.094 19235 5978 1 9 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.256 -0.130 19235 5979 1 9 . 1 1 20 20 ALA C C 20 177.058 177.058 178.208 -1.150 19235 5980 1 9 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.824 -0.754 19235 5981 1 9 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.797 -0.859 19235 5982 1 9 . 1 1 20 20 ALA H H 20 7.451 7.451 7.886 -0.435 19235 5983 1 9 . 1 1 21 21 LEU N N 21 112.471 112.471 113.702 -1.231 19235 5984 1 9 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.490 -0.669 19235 5985 1 9 . 1 1 21 21 LEU C C 21 178.910 178.910 177.585 1.325 19235 5986 1 9 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.049 -0.547 19235 5987 1 9 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.226 1.985 19235 5988 1 9 . 1 1 21 21 LEU H H 21 7.061 7.061 7.393 -0.332 19235 5989 1 9 . 1 1 22 22 THR N N 22 100.722 100.722 107.105 -6.383 19235 5990 1 9 . 1 1 22 22 THR HA H 22 4.558 4.558 4.444 0.114 19235 5991 1 9 . 1 1 22 22 THR C C 22 175.792 175.792 174.780 1.012 19235 5992 1 9 . 1 1 22 22 THR CA C 22 61.081 61.081 61.293 -0.212 19235 5993 1 9 . 1 1 22 22 THR CB C 22 71.747 71.747 70.279 1.468 19235 5994 1 9 . 1 1 22 22 THR H H 22 7.069 7.069 7.518 -0.449 19235 5995 1 9 . 1 1 23 23 THR N N 23 109.777 109.777 118.845 -9.068 19235 5996 1 9 . 1 1 23 23 THR HA H 23 4.893 4.893 4.506 0.387 19235 5997 1 9 . 1 1 23 23 THR C C 23 174.449 174.449 173.837 0.612 19235 5998 1 9 . 1 1 23 23 THR CA C 23 58.343 58.343 61.217 -2.874 19235 5999 1 9 . 1 1 23 23 THR CB C 23 72.836 72.836 71.543 1.292 19235 6000 1 9 . 1 1 23 23 THR H H 23 7.308 7.308 7.407 -0.099 19235 6001 1 9 . 1 1 24 24 ASP N N 24 126.109 126.109 126.606 -0.497 19235 6002 1 9 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.212 0.024 19235 6003 1 9 . 1 1 24 24 ASP C C 24 179.062 179.062 177.359 1.703 19235 6004 1 9 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.855 0.417 19235 6005 1 9 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.065 -0.283 19235 6006 1 9 . 1 1 24 24 ASP H H 24 9.248 9.248 8.891 0.357 19235 6007 1 9 . 1 1 25 25 ASP N N 25 114.688 114.688 117.799 -3.111 19235 6008 1 9 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.369 -0.099 19235 6009 1 9 . 1 1 25 25 ASP C C 25 179.453 179.453 177.993 1.460 19235 6010 1 9 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.540 0.565 19235 6011 1 9 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.048 0.355 19235 6012 1 9 . 1 1 25 25 ASP H H 25 8.640 8.640 8.515 0.125 19235 6013 1 9 . 1 1 26 26 GLY N N 26 108.020 108.020 106.936 1.084 19235 6014 1 9 . 1 1 26 26 GLY C C 26 176.629 176.629 175.912 0.717 19235 6015 1 9 . 1 1 26 26 GLY CA C 26 47.412 47.412 45.970 1.442 19235 6016 1 9 . 1 1 26 26 GLY H H 26 7.756 7.756 8.003 -0.247 19235 6017 1 9 . 1 1 27 27 LEU N N 27 124.486 124.486 122.485 2.001 19235 6018 1 9 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.197 1.351 19235 6019 1 9 . 1 1 27 27 LEU C C 27 180.999 180.999 178.211 2.788 19235 6020 1 9 . 1 1 27 27 LEU CA C 27 58.155 58.155 56.751 1.404 19235 6021 1 9 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.647 2.661 19235 6022 1 9 . 1 1 27 27 LEU H H 27 8.401 8.401 7.854 0.547 19235 6023 1 9 . 1 1 28 28 LYS N N 28 118.482 118.482 117.227 1.255 19235 6024 1 9 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.089 0.176 19235 6025 1 9 . 1 1 28 28 LYS C C 28 179.269 179.269 177.365 1.904 19235 6026 1 9 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.432 -1.485 19235 6027 1 9 . 1 1 28 28 LYS CB C 28 33.645 33.645 31.988 1.657 19235 6028 1 9 . 1 1 28 28 LYS H H 28 7.864 7.864 7.518 0.346 19235 6029 1 9 . 1 1 29 29 LYS N N 29 113.309 113.309 115.212 -1.903 19235 6030 1 9 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.038 0.157 19235 6031 1 9 . 1 1 29 29 LYS C C 29 178.869 178.869 176.778 2.091 19235 6032 1 9 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.333 -0.507 19235 6033 1 9 . 1 1 29 29 LYS CB C 29 32.849 32.849 32.906 -0.057 19235 6034 1 9 . 1 1 29 29 LYS H H 29 7.666 7.666 7.077 0.589 19235 6035 1 9 . 1 1 30 30 TRP N N 30 108.469 108.469 113.862 -5.393 19235 6036 1 9 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.856 0.404 19235 6037 1 9 . 1 1 30 30 TRP C C 30 176.975 176.975 174.786 2.189 19235 6038 1 9 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.398 -0.806 19235 6039 1 9 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.455 1.993 19235 6040 1 9 . 1 1 30 30 TRP H H 30 7.427 7.427 7.198 0.229 19235 6041 1 9 . 1 1 31 31 TRP N N 31 124.489 124.489 121.709 2.780 19235 6042 1 9 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.469 0.762 19235 6043 1 9 . 1 1 31 31 TRP C C 31 175.907 175.907 176.072 -0.165 19235 6044 1 9 . 1 1 31 31 TRP CA C 31 56.687 56.687 57.611 -0.924 19235 6045 1 9 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.848 -1.860 19235 6046 1 9 . 1 1 31 31 TRP H H 31 7.525 7.525 7.689 -0.164 19235 6047 1 9 . 1 1 32 32 THR N N 32 107.670 107.670 109.004 -1.334 19235 6048 1 9 . 1 1 32 32 THR HA H 32 5.064 5.064 4.628 0.436 19235 6049 1 9 . 1 1 32 32 THR C C 32 171.071 171.071 174.242 -3.171 19235 6050 1 9 . 1 1 32 32 THR CA C 32 57.486 57.486 59.988 -2.502 19235 6051 1 9 . 1 1 32 32 THR CB C 32 67.302 67.302 71.834 -4.532 19235 6052 1 9 . 1 1 32 32 THR H H 32 6.582 6.582 7.853 -1.271 19235 6053 1 9 . 1 1 33 33 ASN N N 33 118.705 118.705 116.596 2.109 19235 6054 1 9 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.739 -0.024 19235 6055 1 9 . 1 1 33 33 ASN C C 33 176.424 176.424 173.997 2.427 19235 6056 1 9 . 1 1 33 33 ASN CA C 33 54.187 54.187 53.936 0.251 19235 6057 1 9 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.970 -1.092 19235 6058 1 9 . 1 1 33 33 ASN H H 33 8.281 8.281 8.637 -0.356 19235 6059 1 9 . 1 1 34 34 ASP N N 34 121.174 121.174 119.121 2.053 19235 6060 1 9 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.826 -0.096 19235 6061 1 9 . 1 1 34 34 ASP C C 34 174.163 174.163 173.593 0.570 19235 6062 1 9 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.022 -0.323 19235 6063 1 9 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.597 -1.157 19235 6064 1 9 . 1 1 34 34 ASP H H 34 6.751 6.751 7.593 -0.842 19235 6065 1 9 . 1 1 35 35 ILE N N 35 120.932 120.932 122.914 -1.982 19235 6066 1 9 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.689 -0.126 19235 6067 1 9 . 1 1 35 35 ILE C C 35 175.512 175.512 174.774 0.738 19235 6068 1 9 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.631 0.798 19235 6069 1 9 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.171 0.938 19235 6070 1 9 . 1 1 35 35 ILE H H 35 6.805 6.805 8.198 -1.393 19235 6071 1 9 . 1 1 36 36 SER N N 36 117.993 117.993 121.087 -3.094 19235 6072 1 9 . 1 1 36 36 SER HA H 36 4.600 4.600 4.836 -0.236 19235 6073 1 9 . 1 1 36 36 SER C C 36 174.509 174.509 173.437 1.072 19235 6074 1 9 . 1 1 36 36 SER CA C 36 56.936 56.936 56.528 0.408 19235 6075 1 9 . 1 1 36 36 SER CB C 36 65.556 65.556 64.586 0.970 19235 6076 1 9 . 1 1 36 36 SER H H 36 7.508 7.508 8.441 -0.933 19235 6077 1 9 . 1 1 37 37 GLY N N 37 112.153 112.153 114.356 -2.203 19235 6078 1 9 . 1 1 37 37 GLY C C 37 175.786 175.786 172.387 3.399 19235 6079 1 9 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.474 -0.606 19235 6080 1 9 . 1 1 37 37 GLY H H 37 8.914 8.914 8.878 0.036 19235 6081 1 9 . 1 1 38 38 ALA N N 38 125.303 125.303 122.865 2.438 19235 6082 1 9 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.937 -0.288 19235 6083 1 9 . 1 1 38 38 ALA C C 38 179.569 179.569 176.253 3.316 19235 6084 1 9 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.516 1.784 19235 6085 1 9 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.097 0.169 19235 6086 1 9 . 1 1 38 38 ALA H H 38 10.037 10.037 8.253 1.784 19235 6087 1 9 . 1 1 39 39 GLY N N 39 110.076 110.076 106.839 3.237 19235 6088 1 9 . 1 1 39 39 GLY C C 39 175.023 175.023 174.452 0.571 19235 6089 1 9 . 1 1 39 39 GLY CA C 39 45.930 45.930 43.904 2.026 19235 6090 1 9 . 1 1 39 39 GLY H H 39 6.982 6.982 7.777 -0.795 19235 6091 1 9 . 1 1 40 40 VAL N N 40 114.196 114.196 117.332 -3.136 19235 6092 1 9 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.340 -0.056 19235 6093 1 9 . 1 1 40 40 VAL C C 40 177.795 177.795 176.391 1.404 19235 6094 1 9 . 1 1 40 40 VAL CA C 40 61.133 61.133 61.416 -0.283 19235 6095 1 9 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.270 -0.392 19235 6096 1 9 . 1 1 40 40 VAL H H 40 7.857 7.857 7.830 0.027 19235 6097 1 9 . 1 1 41 41 VAL N N 41 120.950 120.950 121.351 -0.401 19235 6098 1 9 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.447 0.121 19235 6099 1 9 . 1 1 41 41 VAL C C 41 177.788 177.788 176.730 1.058 19235 6100 1 9 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.737 1.459 19235 6101 1 9 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.237 -0.049 19235 6102 1 9 . 1 1 41 41 VAL H H 41 8.469 8.469 8.469 0.000 19235 6103 1 9 . 1 1 42 42 GLY N N 42 116.155 116.155 115.527 0.628 19235 6104 1 9 . 1 1 42 42 GLY C C 42 176.032 176.032 174.095 1.937 19235 6105 1 9 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.644 -0.252 19235 6106 1 9 . 1 1 42 42 GLY H H 42 9.266 9.266 8.865 0.401 19235 6107 1 9 . 1 1 43 43 SER N N 43 118.352 118.352 117.335 1.017 19235 6108 1 9 . 1 1 43 43 SER HA H 43 4.385 4.385 4.457 -0.072 19235 6109 1 9 . 1 1 43 43 SER C C 43 173.302 173.302 173.863 -0.561 19235 6110 1 9 . 1 1 43 43 SER CA C 43 59.910 59.910 58.299 1.611 19235 6111 1 9 . 1 1 43 43 SER CB C 43 63.931 63.931 64.528 -0.598 19235 6112 1 9 . 1 1 43 43 SER H H 43 8.408 8.408 8.155 0.253 19235 6113 1 9 . 1 1 44 44 THR N N 44 118.418 118.418 121.381 -2.963 19235 6114 1 9 . 1 1 44 44 THR HA H 44 4.815 4.815 4.630 0.185 19235 6115 1 9 . 1 1 44 44 THR C C 44 173.450 173.450 173.770 -0.320 19235 6116 1 9 . 1 1 44 44 THR CA C 44 62.444 62.444 61.273 1.171 19235 6117 1 9 . 1 1 44 44 THR CB C 44 69.663 69.663 70.802 -1.139 19235 6118 1 9 . 1 1 44 44 THR H H 44 8.386 8.386 8.133 0.253 19235 6119 1 9 . 1 1 45 45 ILE N N 45 127.861 127.861 127.580 0.281 19235 6120 1 9 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.109 -0.271 19235 6121 1 9 . 1 1 45 45 ILE C C 45 176.164 176.164 174.213 1.951 19235 6122 1 9 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.505 -0.083 19235 6123 1 9 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.427 -0.894 19235 6124 1 9 . 1 1 45 45 ILE H H 45 9.423 9.423 8.817 0.606 19235 6125 1 9 . 1 1 46 46 LYS N N 46 125.403 125.403 127.889 -2.486 19235 6126 1 9 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.001 -0.478 19235 6127 1 9 . 1 1 46 46 LYS C C 46 176.574 176.574 174.936 1.638 19235 6128 1 9 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.348 1.278 19235 6129 1 9 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.331 -3.382 19235 6130 1 9 . 1 1 46 46 LYS H H 46 8.388 8.388 8.496 -0.108 19235 6131 1 9 . 1 1 47 47 PHE N N 47 124.081 124.081 124.612 -0.531 19235 6132 1 9 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.699 -0.298 19235 6133 1 9 . 1 1 47 47 PHE C C 47 177.107 177.107 175.126 1.981 19235 6134 1 9 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.870 0.284 19235 6135 1 9 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.980 -2.343 19235 6136 1 9 . 1 1 47 47 PHE H H 47 8.026 8.026 8.561 -0.535 19235 6137 1 9 . 1 1 48 48 ARG N N 48 121.376 121.376 121.280 0.096 19235 6138 1 9 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.367 0.193 19235 6139 1 9 . 1 1 48 48 ARG C C 48 175.042 175.042 175.188 -0.146 19235 6140 1 9 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.880 -4.298 19235 6141 1 9 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.071 1.487 19235 6142 1 9 . 1 1 48 48 ARG H H 48 8.521 8.521 8.417 0.104 19235 6143 1 9 . 1 1 49 49 PHE N N 49 121.884 121.884 124.796 -2.912 19235 6144 1 9 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.751 -0.952 19235 6145 1 9 . 1 1 49 49 PHE C C 49 175.580 175.580 174.342 1.238 19235 6146 1 9 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.872 -1.566 19235 6147 1 9 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.809 -4.699 19235 6148 1 9 . 1 1 49 49 PHE H H 49 8.649 8.649 8.350 0.299 19235 6149 1 9 . 1 1 50 50 ASN N N 50 121.994 121.994 121.590 0.404 19235 6150 1 9 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.440 -0.028 19235 6151 1 9 . 1 1 50 50 ASN C C 50 177.277 177.277 175.575 1.702 19235 6152 1 9 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.685 -0.368 19235 6153 1 9 . 1 1 50 50 ASN CB C 50 37.124 37.124 38.207 -1.083 19235 6154 1 9 . 1 1 50 50 ASN H H 50 9.296 9.296 7.781 1.515 19235 6155 1 9 . 1 1 51 51 GLY N N 51 103.211 103.211 108.080 -4.869 19235 6156 1 9 . 1 1 51 51 GLY C C 51 175.077 175.077 174.812 0.265 19235 6157 1 9 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.126 0.502 19235 6158 1 9 . 1 1 51 51 GLY H H 51 8.532 8.532 7.703 0.829 19235 6159 1 9 . 1 1 52 52 GLY N N 52 106.323 106.323 109.431 -3.108 19235 6160 1 9 . 1 1 52 52 GLY C C 52 173.770 173.770 174.825 -1.055 19235 6161 1 9 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.587 -1.100 19235 6162 1 9 . 1 1 52 52 GLY H H 52 7.215 7.215 8.353 -1.138 19235 6163 1 9 . 1 1 53 53 GLY N N 53 109.867 109.867 109.581 0.286 19235 6164 1 9 . 1 1 53 53 GLY C C 53 169.984 169.984 173.358 -3.374 19235 6165 1 9 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.387 2.117 19235 6166 1 9 . 1 1 53 53 GLY H H 53 8.412 8.412 8.561 -0.149 19235 6167 1 9 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.304 1.059 19235 6168 1 9 . 1 1 54 54 PRO C C 54 175.960 175.960 175.463 0.497 19235 6169 1 9 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.423 0.212 19235 6170 1 9 . 1 1 54 54 PRO CB C 54 33.340 33.340 32.799 0.541 19235 6171 1 9 . 1 1 55 55 ASP N N 55 118.374 118.374 121.463 -3.089 19235 6172 1 9 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.532 0.246 19235 6173 1 9 . 1 1 55 55 ASP C C 55 176.144 176.144 174.562 1.582 19235 6174 1 9 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.033 -1.458 19235 6175 1 9 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.644 -3.173 19235 6176 1 9 . 1 1 55 55 ASP H H 55 6.732 6.732 8.198 -1.466 19235 6177 1 9 . 1 1 56 56 PHE N N 56 116.916 116.916 121.209 -4.293 19235 6178 1 9 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.958 0.125 19235 6179 1 9 . 1 1 56 56 PHE C C 56 175.088 175.088 174.864 0.224 19235 6180 1 9 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.477 0.885 19235 6181 1 9 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.504 1.792 19235 6182 1 9 . 1 1 56 56 PHE H H 56 9.140 9.140 9.074 0.066 19235 6183 1 9 . 1 1 57 57 LYS N N 57 123.219 123.219 125.005 -1.786 19235 6184 1 9 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.646 0.592 19235 6185 1 9 . 1 1 57 57 LYS C C 57 177.979 177.979 175.711 2.268 19235 6186 1 9 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.456 -1.146 19235 6187 1 9 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.430 -0.500 19235 6188 1 9 . 1 1 57 57 LYS H H 57 9.574 9.574 9.025 0.549 19235 6189 1 9 . 1 1 58 58 VAL N N 58 127.037 127.037 128.399 -1.362 19235 6190 1 9 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.603 0.064 19235 6191 1 9 . 1 1 58 58 VAL C C 58 178.738 178.738 176.409 2.329 19235 6192 1 9 . 1 1 58 58 VAL CA C 58 63.756 63.756 63.038 0.718 19235 6193 1 9 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.710 0.023 19235 6194 1 9 . 1 1 58 58 VAL H H 58 9.196 9.196 8.828 0.368 19235 6195 1 9 . 1 1 59 59 THR N N 59 120.775 120.775 120.120 0.655 19235 6196 1 9 . 1 1 59 59 THR HA H 59 4.716 4.716 4.492 0.224 19235 6197 1 9 . 1 1 59 59 THR C C 59 177.001 177.001 174.632 2.369 19235 6198 1 9 . 1 1 59 59 THR CA C 59 62.615 62.615 61.995 0.620 19235 6199 1 9 . 1 1 59 59 THR CB C 59 69.528 69.528 69.821 -0.293 19235 6200 1 9 . 1 1 59 59 THR H H 59 9.470 9.470 9.257 0.213 19235 6201 1 9 . 1 1 60 60 LYS N N 60 123.315 123.315 121.524 1.791 19235 6202 1 9 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.560 -0.128 19235 6203 1 9 . 1 1 60 60 LYS C C 60 174.225 174.225 173.982 0.243 19235 6204 1 9 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.657 1.262 19235 6205 1 9 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.156 -0.825 19235 6206 1 9 . 1 1 60 60 LYS H H 60 7.819 7.819 7.664 0.155 19235 6207 1 9 . 1 1 61 61 LEU N N 61 125.573 125.573 126.705 -1.132 19235 6208 1 9 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.158 0.057 19235 6209 1 9 . 1 1 61 61 LEU C C 61 177.508 177.508 175.834 1.674 19235 6210 1 9 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.681 0.673 19235 6211 1 9 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.671 0.098 19235 6212 1 9 . 1 1 61 61 LEU H H 61 8.354 8.354 8.606 -0.252 19235 6213 1 9 . 1 1 62 62 ILE N N 62 124.326 124.326 124.412 -0.086 19235 6214 1 9 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.684 0.087 19235 6215 1 9 . 1 1 62 62 ILE C C 62 175.200 175.200 173.805 1.395 19235 6216 1 9 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.447 1.509 19235 6217 1 9 . 1 1 62 62 ILE CB C 62 38.287 38.287 40.117 -1.830 19235 6218 1 9 . 1 1 62 62 ILE H H 62 9.340 9.340 9.086 0.254 19235 6219 1 9 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.781 -0.493 19235 6220 1 9 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.234 0.634 19235 6221 1 9 . 1 1 64 64 ASN N N 64 113.559 113.559 116.207 -2.648 19235 6222 1 9 . 1 1 64 64 ASN HA H 64 3.455 3.455 4.151 -0.696 19235 6223 1 9 . 1 1 64 64 ASN C C 64 174.053 174.053 174.460 -0.407 19235 6224 1 9 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.572 0.800 19235 6225 1 9 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.572 0.298 19235 6226 1 9 . 1 1 64 64 ASN H H 64 4.547 4.547 7.463 -2.916 19235 6227 1 9 . 1 1 65 65 LYS N N 65 116.786 116.786 116.080 0.706 19235 6228 1 9 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.557 0.256 19235 6229 1 9 . 1 1 65 65 LYS C C 65 176.349 176.349 175.362 0.987 19235 6230 1 9 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.607 1.421 19235 6231 1 9 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.916 0.520 19235 6232 1 9 . 1 1 65 65 LYS H H 65 8.222 8.222 8.185 0.037 19235 6233 1 9 . 1 1 66 66 THR N N 66 114.184 114.184 116.600 -2.416 19235 6234 1 9 . 1 1 66 66 THR HA H 66 5.462 5.462 5.429 0.033 19235 6235 1 9 . 1 1 66 66 THR C C 66 173.770 173.770 172.842 0.928 19235 6236 1 9 . 1 1 66 66 THR CA C 66 62.725 62.725 61.691 1.034 19235 6237 1 9 . 1 1 66 66 THR CB C 66 73.439 73.439 72.264 1.175 19235 6238 1 9 . 1 1 66 66 THR H H 66 8.667 8.667 7.977 0.690 19235 6239 1 9 . 1 1 67 67 VAL N N 67 127.075 127.075 126.949 0.126 19235 6240 1 9 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.728 -0.022 19235 6241 1 9 . 1 1 67 67 VAL C C 67 176.093 176.093 174.031 2.062 19235 6242 1 9 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.778 1.180 19235 6243 1 9 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.180 0.997 19235 6244 1 9 . 1 1 67 67 VAL H H 67 8.777 8.777 8.883 -0.106 19235 6245 1 9 . 1 1 68 68 CYS N N 68 122.749 122.749 127.491 -4.742 19235 6246 1 9 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.268 0.215 19235 6247 1 9 . 1 1 68 68 CYS C C 68 174.607 174.607 173.419 1.188 19235 6248 1 9 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.839 0.298 19235 6249 1 9 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.779 0.895 19235 6250 1 9 . 1 1 68 68 CYS H H 68 8.987 8.987 8.820 0.167 19235 6251 1 9 . 1 1 69 69 TRP N N 69 123.217 123.217 128.027 -4.810 19235 6252 1 9 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.769 0.543 19235 6253 1 9 . 1 1 69 69 TRP C C 69 178.064 178.064 175.225 2.839 19235 6254 1 9 . 1 1 69 69 TRP CA C 69 52.798 52.798 53.871 -1.073 19235 6255 1 9 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.337 3.803 19235 6256 1 9 . 1 1 69 69 TRP H H 69 9.612 9.612 9.395 0.217 19235 6257 1 9 . 1 1 70 70 GLN N N 70 122.556 122.556 120.549 2.007 19235 6258 1 9 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.850 0.434 19235 6259 1 9 . 1 1 70 70 GLN C C 70 176.295 176.295 174.793 1.502 19235 6260 1 9 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.224 0.662 19235 6261 1 9 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.864 0.413 19235 6262 1 9 . 1 1 70 70 GLN H H 70 10.132 10.132 9.186 0.946 19235 6263 1 9 . 1 1 71 71 HIS N N 71 128.443 128.443 127.556 0.887 19235 6264 1 9 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.493 -0.507 19235 6265 1 9 . 1 1 71 71 HIS C C 71 175.251 175.251 173.920 1.331 19235 6266 1 9 . 1 1 71 71 HIS CA C 71 60.992 60.992 57.811 3.181 19235 6267 1 9 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.098 0.129 19235 6268 1 9 . 1 1 71 71 HIS H H 71 8.947 8.947 8.294 0.653 19235 6269 1 9 . 1 1 72 72 ALA N N 72 131.788 131.788 127.163 4.625 19235 6270 1 9 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.611 0.096 19235 6271 1 9 . 1 1 72 72 ALA C C 72 176.274 176.274 174.589 1.685 19235 6272 1 9 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.480 -0.979 19235 6273 1 9 . 1 1 72 72 ALA CB C 72 21.372 21.372 22.251 -0.879 19235 6274 1 9 . 1 1 72 72 ALA H H 72 7.954 7.954 8.083 -0.129 19235 6275 1 9 . 1 1 73 73 GLY N N 73 107.065 107.065 107.418 -0.353 19235 6276 1 9 . 1 1 73 73 GLY C C 73 175.476 175.476 173.336 2.140 19235 6277 1 9 . 1 1 73 73 GLY CA C 73 44.907 44.907 45.624 -0.717 19235 6278 1 9 . 1 1 73 73 GLY H H 73 8.037 8.037 8.111 -0.074 19235 6279 1 9 . 1 1 74 74 ASN N N 74 117.053 117.053 118.456 -1.403 19235 6280 1 9 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.750 0.508 19235 6281 1 9 . 1 1 74 74 ASN C C 74 175.858 175.858 175.391 0.467 19235 6282 1 9 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.123 -0.495 19235 6283 1 9 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.864 0.754 19235 6284 1 9 . 1 1 74 74 ASN H H 74 8.214 8.214 8.518 -0.304 19235 6285 1 9 . 1 1 75 75 MET N N 75 118.795 118.795 120.734 -1.939 19235 6286 1 9 . 1 1 75 75 MET HA H 75 4.972 4.972 4.490 0.482 19235 6287 1 9 . 1 1 75 75 MET C C 75 176.426 176.426 174.135 2.291 19235 6288 1 9 . 1 1 75 75 MET CA C 75 52.203 52.203 53.986 -1.783 19235 6289 1 9 . 1 1 75 75 MET CB C 75 35.318 35.318 32.430 2.888 19235 6290 1 9 . 1 1 75 75 MET H H 75 8.685 8.685 7.623 1.062 19235 6291 1 9 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.212 0.706 19235 6292 1 9 . 1 1 76 76 PRO C C 76 179.193 179.193 177.200 1.993 19235 6293 1 9 . 1 1 76 76 PRO CA C 76 62.896 62.896 62.897 -0.001 19235 6294 1 9 . 1 1 76 76 PRO CB C 76 32.869 32.869 31.864 1.005 19235 6295 1 9 . 1 1 77 77 GLU N N 77 124.888 124.888 122.962 1.926 19235 6296 1 9 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.898 -0.096 19235 6297 1 9 . 1 1 77 77 GLU C C 77 181.035 181.035 178.669 2.366 19235 6298 1 9 . 1 1 77 77 GLU CA C 77 60.350 60.350 59.871 0.479 19235 6299 1 9 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.383 -0.216 19235 6300 1 9 . 1 1 77 77 GLU H H 77 9.141 9.141 8.773 0.368 19235 6301 1 9 . 1 1 78 78 SER N N 78 111.049 111.049 112.974 -1.925 19235 6302 1 9 . 1 1 78 78 SER HA H 78 4.335 4.335 4.298 0.037 19235 6303 1 9 . 1 1 78 78 SER C C 78 174.864 174.864 175.632 -0.768 19235 6304 1 9 . 1 1 78 78 SER CA C 78 60.184 60.184 60.613 -0.429 19235 6305 1 9 . 1 1 78 78 SER CB C 78 63.543 63.543 62.687 0.856 19235 6306 1 9 . 1 1 78 78 SER H H 78 8.349 8.349 8.249 0.100 19235 6307 1 9 . 1 1 79 79 TRP N N 79 115.554 115.554 121.090 -5.536 19235 6308 1 9 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.765 -0.450 19235 6309 1 9 . 1 1 79 79 TRP C C 79 178.135 178.135 177.906 0.229 19235 6310 1 9 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.899 -2.235 19235 6311 1 9 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.704 -2.748 19235 6312 1 9 . 1 1 79 79 TRP H H 79 7.492 7.492 7.731 -0.239 19235 6313 1 9 . 1 1 80 80 MET N N 80 123.060 123.060 119.438 3.622 19235 6314 1 9 . 1 1 80 80 MET HA H 80 4.677 4.677 4.730 -0.053 19235 6315 1 9 . 1 1 80 80 MET C C 80 179.026 179.026 179.102 -0.076 19235 6316 1 9 . 1 1 80 80 MET CA C 80 58.410 58.410 59.193 -0.783 19235 6317 1 9 . 1 1 80 80 MET CB C 80 32.136 32.136 33.228 -1.092 19235 6318 1 9 . 1 1 80 80 MET H H 80 7.570 7.570 8.350 -0.780 19235 6319 1 9 . 1 1 81 81 GLY N N 81 112.489 112.489 108.168 4.321 19235 6320 1 9 . 1 1 81 81 GLY C C 81 176.316 176.316 173.494 2.822 19235 6321 1 9 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.755 1.101 19235 6322 1 9 . 1 1 81 81 GLY H H 81 9.025 9.025 7.971 1.054 19235 6323 1 9 . 1 1 82 82 THR N N 82 110.515 110.515 112.386 -1.871 19235 6324 1 9 . 1 1 82 82 THR HA H 82 4.925 4.925 4.721 0.204 19235 6325 1 9 . 1 1 82 82 THR C C 82 175.233 175.233 173.219 2.014 19235 6326 1 9 . 1 1 82 82 THR CA C 82 61.666 61.666 60.050 1.615 19235 6327 1 9 . 1 1 82 82 THR CB C 82 72.105 72.105 71.599 0.506 19235 6328 1 9 . 1 1 82 82 THR H H 82 8.201 8.201 7.608 0.593 19235 6329 1 9 . 1 1 83 83 GLU N N 83 117.578 117.578 121.899 -4.321 19235 6330 1 9 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.017 0.287 19235 6331 1 9 . 1 1 83 83 GLU C C 83 175.305 175.305 174.884 0.421 19235 6332 1 9 . 1 1 83 83 GLU CA C 83 54.829 54.829 55.172 -0.343 19235 6333 1 9 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.831 -0.052 19235 6334 1 9 . 1 1 83 83 GLU H H 83 8.098 8.098 8.507 -0.409 19235 6335 1 9 . 1 1 84 84 ILE N N 84 122.729 122.729 123.471 -0.742 19235 6336 1 9 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.574 0.270 19235 6337 1 9 . 1 1 84 84 ILE C C 84 175.731 175.731 174.156 1.575 19235 6338 1 9 . 1 1 84 84 ILE CA C 84 59.132 59.132 60.050 -0.918 19235 6339 1 9 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.026 0.439 19235 6340 1 9 . 1 1 84 84 ILE H H 84 9.191 9.191 9.089 0.102 19235 6341 1 9 . 1 1 85 85 SER N N 85 119.684 119.684 120.171 -0.487 19235 6342 1 9 . 1 1 85 85 SER HA H 85 5.269 5.269 5.109 0.160 19235 6343 1 9 . 1 1 85 85 SER C C 85 173.140 173.140 172.730 0.410 19235 6344 1 9 . 1 1 85 85 SER CA C 85 55.616 55.616 55.739 -0.123 19235 6345 1 9 . 1 1 85 85 SER CB C 85 66.396 66.396 65.208 1.188 19235 6346 1 9 . 1 1 85 85 SER H H 85 8.264 8.264 8.518 -0.254 19235 6347 1 9 . 1 1 86 86 PHE N N 86 120.734 120.734 124.338 -3.604 19235 6348 1 9 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.056 -0.248 19235 6349 1 9 . 1 1 86 86 PHE C C 86 175.882 175.882 174.420 1.462 19235 6350 1 9 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.556 -0.411 19235 6351 1 9 . 1 1 86 86 PHE CB C 86 41.089 41.089 40.486 0.603 19235 6352 1 9 . 1 1 86 86 PHE H H 86 9.202 9.202 9.160 0.042 19235 6353 1 9 . 1 1 87 87 GLN N N 87 120.452 120.452 124.901 -4.449 19235 6354 1 9 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.139 0.282 19235 6355 1 9 . 1 1 87 87 GLN C C 87 176.561 176.561 174.560 2.001 19235 6356 1 9 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.334 -0.384 19235 6357 1 9 . 1 1 87 87 GLN CB C 87 30.701 30.701 30.848 -0.147 19235 6358 1 9 . 1 1 87 87 GLN H H 87 8.663 8.663 9.042 -0.379 19235 6359 1 9 . 1 1 88 88 LEU N N 88 126.610 126.610 129.187 -2.577 19235 6360 1 9 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.178 0.272 19235 6361 1 9 . 1 1 88 88 LEU C C 88 178.015 178.015 176.716 1.299 19235 6362 1 9 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.258 0.028 19235 6363 1 9 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.394 -1.429 19235 6364 1 9 . 1 1 88 88 LEU H H 88 9.315 9.315 8.988 0.327 19235 6365 1 9 . 1 1 89 89 GLU N N 89 123.568 123.568 125.724 -2.156 19235 6366 1 9 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.715 0.077 19235 6367 1 9 . 1 1 89 89 GLU C C 89 176.006 176.006 175.436 0.570 19235 6368 1 9 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.497 0.961 19235 6369 1 9 . 1 1 89 89 GLU CB C 89 32.625 32.625 32.770 -0.145 19235 6370 1 9 . 1 1 89 89 GLU H H 89 8.862 8.862 9.315 -0.453 19235 6371 1 9 . 1 1 90 90 THR N N 90 124.266 124.266 123.170 1.096 19235 6372 1 9 . 1 1 90 90 THR HA H 90 4.828 4.828 4.056 0.772 19235 6373 1 9 . 1 1 90 90 THR C C 90 175.572 175.572 174.064 1.508 19235 6374 1 9 . 1 1 90 90 THR CA C 90 63.397 63.397 63.962 -0.565 19235 6375 1 9 . 1 1 90 90 THR CB C 90 69.628 69.628 69.226 0.402 19235 6376 1 9 . 1 1 90 90 THR H H 90 9.120 9.120 8.597 0.523 19235 6377 1 9 . 1 1 91 91 VAL N N 91 125.506 125.506 126.126 -0.620 19235 6378 1 9 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.137 0.360 19235 6379 1 9 . 1 1 91 91 VAL C C 91 176.665 176.665 175.671 0.994 19235 6380 1 9 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.928 1.263 19235 6381 1 9 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.922 -0.420 19235 6382 1 9 . 1 1 91 91 VAL H H 91 8.729 8.729 8.213 0.516 19235 6383 1 9 . 1 1 92 92 GLU C C 92 177.778 177.778 176.865 0.913 19235 6384 1 9 . 1 1 93 93 ASN N N 93 115.899 115.899 114.972 0.927 19235 6385 1 9 . 1 1 93 93 ASN C C 93 174.644 174.644 175.162 -0.518 19235 6386 1 9 . 1 1 93 93 ASN H H 93 8.372 8.372 8.281 0.091 19235 6387 1 9 . 1 1 94 94 GLN N N 94 114.412 114.412 117.055 -2.643 19235 6388 1 9 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.537 0.081 19235 6389 1 9 . 1 1 94 94 GLN C C 94 173.810 173.810 173.951 -0.141 19235 6390 1 9 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.564 0.099 19235 6391 1 9 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.493 -2.714 19235 6392 1 9 . 1 1 94 94 GLN H H 94 7.505 7.505 7.636 -0.131 19235 6393 1 9 . 1 1 95 95 THR N N 95 117.223 117.223 116.542 0.681 19235 6394 1 9 . 1 1 95 95 THR HA H 95 4.889 4.889 4.902 -0.013 19235 6395 1 9 . 1 1 95 95 THR C C 95 175.599 175.599 173.420 2.179 19235 6396 1 9 . 1 1 95 95 THR CA C 95 61.633 61.633 61.726 -0.093 19235 6397 1 9 . 1 1 95 95 THR CB C 95 70.071 70.071 70.893 -0.822 19235 6398 1 9 . 1 1 95 95 THR H H 95 8.975 8.975 8.646 0.329 19235 6399 1 9 . 1 1 96 96 PHE N N 96 125.360 125.360 125.508 -0.148 19235 6400 1 9 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.872 -0.140 19235 6401 1 9 . 1 1 96 96 PHE C C 96 176.859 176.859 174.865 1.994 19235 6402 1 9 . 1 1 96 96 PHE CA C 96 58.180 58.180 54.571 3.609 19235 6403 1 9 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.742 -0.648 19235 6404 1 9 . 1 1 96 96 PHE H H 96 9.499 9.499 9.338 0.161 19235 6405 1 9 . 1 1 97 97 VAL N N 97 122.027 122.027 122.877 -0.850 19235 6406 1 9 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.858 -0.341 19235 6407 1 9 . 1 1 97 97 VAL C C 97 175.876 175.876 175.236 0.640 19235 6408 1 9 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.182 0.181 19235 6409 1 9 . 1 1 97 97 VAL CB C 97 32.379 32.379 33.517 -1.138 19235 6410 1 9 . 1 1 97 97 VAL H H 97 9.394 9.394 9.080 0.314 19235 6411 1 9 . 1 1 98 98 ARG N N 98 126.680 126.680 126.949 -0.269 19235 6412 1 9 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.735 -0.544 19235 6413 1 9 . 1 1 98 98 ARG C C 98 176.185 176.185 174.744 1.441 19235 6414 1 9 . 1 1 98 98 ARG CA C 98 54.801 54.801 55.011 -0.210 19235 6415 1 9 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.419 -1.919 19235 6416 1 9 . 1 1 98 98 ARG H H 98 9.245 9.245 9.289 -0.043 19235 6417 1 9 . 1 1 99 99 PHE N N 99 131.125 131.125 128.206 2.919 19235 6418 1 9 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.165 -0.293 19235 6419 1 9 . 1 1 99 99 PHE C C 99 174.793 174.793 173.915 0.878 19235 6420 1 9 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.956 -0.229 19235 6421 1 9 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.102 0.469 19235 6422 1 9 . 1 1 99 99 PHE H H 99 8.723 8.723 9.395 -0.672 19235 6423 1 9 . 1 1 100 100 THR N N 100 124.512 124.512 125.871 -1.359 19235 6424 1 9 . 1 1 100 100 THR HA H 100 5.062 5.062 4.898 0.164 19235 6425 1 9 . 1 1 100 100 THR C C 100 173.105 173.105 172.022 1.083 19235 6426 1 9 . 1 1 100 100 THR CA C 100 59.971 59.971 60.792 -0.821 19235 6427 1 9 . 1 1 100 100 THR CB C 100 71.127 71.127 70.197 0.930 19235 6428 1 9 . 1 1 100 100 THR H H 100 8.020 8.020 8.142 -0.122 19235 6429 1 9 . 1 1 101 101 HIS N N 101 127.719 127.719 128.220 -0.501 19235 6430 1 9 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.366 -0.323 19235 6431 1 9 . 1 1 101 101 HIS C C 101 176.440 176.440 174.439 2.001 19235 6432 1 9 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.171 -0.266 19235 6433 1 9 . 1 1 101 101 HIS CB C 101 32.335 32.335 31.498 0.837 19235 6434 1 9 . 1 1 101 101 HIS H H 101 8.714 8.714 8.801 -0.087 19235 6435 1 9 . 1 1 102 102 SER N N 102 121.048 121.048 122.727 -1.679 19235 6436 1 9 . 1 1 102 102 SER HA H 102 5.023 5.023 5.033 -0.010 19235 6437 1 9 . 1 1 102 102 SER C C 102 175.564 175.564 174.256 1.308 19235 6438 1 9 . 1 1 102 102 SER CA C 102 57.264 57.264 56.599 0.665 19235 6439 1 9 . 1 1 102 102 SER CB C 102 66.564 66.564 66.124 0.440 19235 6440 1 9 . 1 1 102 102 SER H H 102 9.804 9.804 9.105 0.699 19235 6441 1 9 . 1 1 103 103 ASN N N 103 110.931 110.931 117.090 -6.159 19235 6442 1 9 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.428 -0.036 19235 6443 1 9 . 1 1 103 103 ASN C C 103 176.631 176.631 173.795 2.836 19235 6444 1 9 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.096 0.290 19235 6445 1 9 . 1 1 103 103 ASN CB C 103 36.533 36.533 37.432 -0.899 19235 6446 1 9 . 1 1 103 103 ASN H H 103 8.304 8.304 8.767 -0.463 19235 6447 1 9 . 1 1 104 104 TRP N N 104 119.944 119.944 119.099 0.845 19235 6448 1 9 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.740 -0.458 19235 6449 1 9 . 1 1 104 104 TRP C C 104 179.325 179.325 177.185 2.140 19235 6450 1 9 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.835 1.481 19235 6451 1 9 . 1 1 104 104 TRP CB C 104 27.723 27.723 29.686 -1.963 19235 6452 1 9 . 1 1 104 104 TRP H H 104 8.669 8.669 8.433 0.236 19235 6453 1 9 . 1 1 105 105 HIS N N 105 121.315 121.315 124.256 -2.941 19235 6454 1 9 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.300 0.166 19235 6455 1 9 . 1 1 105 105 HIS C C 105 176.866 176.866 174.605 2.261 19235 6456 1 9 . 1 1 105 105 HIS CA C 105 59.426 59.426 59.179 0.246 19235 6457 1 9 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.670 0.348 19235 6458 1 9 . 1 1 105 105 HIS H H 105 8.919 8.919 9.185 -0.266 19235 6459 1 9 . 1 1 106 106 GLU N N 106 112.392 112.392 114.121 -1.729 19235 6460 1 9 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.517 0.012 19235 6461 1 9 . 1 1 106 106 GLU C C 106 175.482 175.482 174.997 0.485 19235 6462 1 9 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.294 -0.948 19235 6463 1 9 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.782 0.535 19235 6464 1 9 . 1 1 106 106 GLU H H 106 7.800 7.800 8.011 -0.211 19235 6465 1 9 . 1 1 107 107 THR N N 107 117.872 117.872 113.148 4.724 19235 6466 1 9 . 1 1 107 107 THR HA H 107 4.261 4.261 4.191 0.070 19235 6467 1 9 . 1 1 107 107 THR C C 107 175.517 175.517 174.534 0.983 19235 6468 1 9 . 1 1 107 107 THR CA C 107 63.456 63.456 62.195 1.261 19235 6469 1 9 . 1 1 107 107 THR CB C 107 68.072 68.072 67.620 0.452 19235 6470 1 9 . 1 1 107 107 THR H H 107 8.668 8.668 8.413 0.255 19235 6471 1 9 . 1 1 108 108 THR N N 108 116.177 116.177 117.732 -1.555 19235 6472 1 9 . 1 1 108 108 THR HA H 108 4.720 4.720 4.481 0.239 19235 6473 1 9 . 1 1 108 108 THR C C 108 176.376 176.376 175.421 0.955 19235 6474 1 9 . 1 1 108 108 THR CA C 108 59.356 59.356 60.002 -0.646 19235 6475 1 9 . 1 1 108 108 THR CB C 108 73.275 73.275 70.779 2.496 19235 6476 1 9 . 1 1 108 108 THR H H 108 6.802 6.802 7.990 -1.188 19235 6477 1 9 . 1 1 109 109 ASP C C 109 179.100 179.100 177.674 1.426 19235 6478 1 9 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.808 0.652 19235 6479 1 9 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.437 -0.269 19235 6480 1 9 . 1 1 110 110 PHE N N 110 119.151 119.151 120.472 -1.321 19235 6481 1 9 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.945 0.606 19235 6482 1 9 . 1 1 110 110 PHE C C 110 179.054 179.054 176.978 2.076 19235 6483 1 9 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.296 0.415 19235 6484 1 9 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.685 -0.258 19235 6485 1 9 . 1 1 110 110 PHE H H 110 8.463 8.463 7.635 0.828 19235 6486 1 9 . 1 1 111 111 MET N N 111 122.801 122.801 119.107 3.694 19235 6487 1 9 . 1 1 111 111 MET HA H 111 3.061 3.061 2.797 0.264 19235 6488 1 9 . 1 1 111 111 MET C C 111 178.661 178.661 177.250 1.411 19235 6489 1 9 . 1 1 111 111 MET CA C 111 59.888 59.888 57.818 2.070 19235 6490 1 9 . 1 1 111 111 MET CB C 111 31.587 31.587 30.993 0.594 19235 6491 1 9 . 1 1 111 111 MET H H 111 8.261 8.261 7.551 0.710 19235 6492 1 9 . 1 1 112 112 ALA N N 112 121.236 121.236 120.494 0.742 19235 6493 1 9 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.776 0.061 19235 6494 1 9 . 1 1 112 112 ALA C C 112 179.201 179.201 179.368 -0.167 19235 6495 1 9 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.738 0.051 19235 6496 1 9 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.789 0.374 19235 6497 1 9 . 1 1 112 112 ALA H H 112 7.744 7.744 7.408 0.336 19235 6498 1 9 . 1 1 113 113 HIS N N 113 116.411 116.411 117.720 -1.309 19235 6499 1 9 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.045 0.288 19235 6500 1 9 . 1 1 113 113 HIS C C 113 178.145 178.145 177.711 0.434 19235 6501 1 9 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.585 1.616 19235 6502 1 9 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.595 0.246 19235 6503 1 9 . 1 1 113 113 HIS H H 113 8.275 8.275 7.610 0.665 19235 6504 1 9 . 1 1 114 114 CYS N N 114 114.740 114.740 117.327 -2.587 19235 6505 1 9 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.992 -0.031 19235 6506 1 9 . 1 1 114 114 CYS C C 114 177.431 177.431 176.719 0.712 19235 6507 1 9 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.656 -0.165 19235 6508 1 9 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.400 0.208 19235 6509 1 9 . 1 1 114 114 CYS H H 114 8.456 8.456 8.044 0.412 19235 6510 1 9 . 1 1 115 115 ASN N N 115 120.985 120.985 119.076 1.909 19235 6511 1 9 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.457 0.252 19235 6512 1 9 . 1 1 115 115 ASN C C 115 179.521 179.521 177.570 1.951 19235 6513 1 9 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.368 1.718 19235 6514 1 9 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.120 0.799 19235 6515 1 9 . 1 1 115 115 ASN H H 115 8.983 8.983 8.034 0.949 19235 6516 1 9 . 1 1 116 116 THR N N 116 119.651 119.651 117.445 2.206 19235 6517 1 9 . 1 1 116 116 THR HA H 116 4.227 4.227 3.818 0.409 19235 6518 1 9 . 1 1 116 116 THR C C 116 177.405 177.405 176.170 1.235 19235 6519 1 9 . 1 1 116 116 THR CA C 116 67.150 67.150 66.983 0.167 19235 6520 1 9 . 1 1 116 116 THR CB C 116 68.365 68.365 68.718 -0.353 19235 6521 1 9 . 1 1 116 116 THR H H 116 8.704 8.704 7.829 0.875 19235 6522 1 9 . 1 1 117 117 LYS N N 117 121.343 121.343 121.680 -0.337 19235 6523 1 9 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.429 0.851 19235 6524 1 9 . 1 1 117 117 LYS C C 117 180.250 180.250 178.329 1.921 19235 6525 1 9 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.224 -2.122 19235 6526 1 9 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.891 -1.405 19235 6527 1 9 . 1 1 117 117 LYS H H 117 9.148 9.148 7.865 1.283 19235 6528 1 9 . 1 1 118 118 TRP N N 118 117.603 117.603 119.312 -1.709 19235 6529 1 9 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.121 0.759 19235 6530 1 9 . 1 1 118 118 TRP C C 118 180.118 180.118 177.923 2.195 19235 6531 1 9 . 1 1 118 118 TRP CA C 118 59.768 59.768 59.976 -0.208 19235 6532 1 9 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.071 1.445 19235 6533 1 9 . 1 1 118 118 TRP H H 118 9.212 9.212 8.342 0.870 19235 6534 1 9 . 1 1 119 119 ALA N N 119 117.358 117.358 122.294 -4.936 19235 6535 1 9 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.344 0.079 19235 6536 1 9 . 1 1 119 119 ALA C C 119 179.726 179.726 179.159 0.567 19235 6537 1 9 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.750 0.775 19235 6538 1 9 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.578 0.812 19235 6539 1 9 . 1 1 119 119 ALA H H 119 7.132 7.132 7.426 -0.294 19235 6540 1 9 . 1 1 120 120 VAL N N 120 112.004 112.004 118.679 -6.675 19235 6541 1 9 . 1 1 120 120 VAL H H 120 7.188 7.188 7.519 -0.331 19235 6542 1 9 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.075 0.990 19235 6543 1 9 . 1 1 121 121 PHE C C 121 178.810 178.810 178.315 0.495 19235 6544 1 9 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.366 2.300 19235 6545 1 9 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.269 0.534 19235 6546 1 9 . 1 1 122 122 LEU N N 122 121.854 121.854 119.713 2.141 19235 6547 1 9 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.852 0.149 19235 6548 1 9 . 1 1 122 122 LEU C C 122 180.149 180.149 178.777 1.372 19235 6549 1 9 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.896 -0.317 19235 6550 1 9 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.681 -2.007 19235 6551 1 9 . 1 1 122 122 LEU H H 122 8.598 8.598 7.996 0.602 19235 6552 1 9 . 1 1 123 123 LEU N N 123 120.284 120.284 119.404 0.880 19235 6553 1 9 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.783 0.227 19235 6554 1 9 . 1 1 123 123 LEU C C 123 179.701 179.701 179.001 0.700 19235 6555 1 9 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.411 -0.520 19235 6556 1 9 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.250 -1.017 19235 6557 1 9 . 1 1 123 123 LEU H H 123 8.154 8.154 8.230 -0.076 19235 6558 1 9 . 1 1 124 124 SER N N 124 113.478 113.478 114.930 -1.452 19235 6559 1 9 . 1 1 124 124 SER HA H 124 4.586 4.586 4.132 0.454 19235 6560 1 9 . 1 1 124 124 SER C C 124 177.749 177.749 176.424 1.325 19235 6561 1 9 . 1 1 124 124 SER CA C 124 60.660 60.660 61.279 -0.619 19235 6562 1 9 . 1 1 124 124 SER CB C 124 62.601 62.601 63.240 -0.639 19235 6563 1 9 . 1 1 124 124 SER H H 124 7.537 7.537 8.091 -0.554 19235 6564 1 9 . 1 1 125 125 LEU N N 125 120.955 120.955 123.093 -2.138 19235 6565 1 9 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.019 0.647 19235 6566 1 9 . 1 1 125 125 LEU C C 125 177.940 177.940 177.506 0.434 19235 6567 1 9 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.446 1.076 19235 6568 1 9 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.156 -1.433 19235 6569 1 9 . 1 1 125 125 LEU H H 125 8.021 8.021 7.849 0.172 19235 6570 1 9 . 1 1 126 126 LYS N N 126 118.428 118.428 119.155 -0.727 19235 6571 1 9 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.875 0.696 19235 6572 1 9 . 1 1 126 126 LYS C C 126 178.885 178.885 178.313 0.572 19235 6573 1 9 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.912 0.254 19235 6574 1 9 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.187 0.909 19235 6575 1 9 . 1 1 126 126 LYS H H 126 7.899 7.899 7.950 -0.051 19235 6576 1 9 . 1 1 127 127 ASP N N 127 119.536 119.536 119.464 0.072 19235 6577 1 9 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.442 0.091 19235 6578 1 9 . 1 1 127 127 ASP C C 127 180.864 180.864 178.586 2.278 19235 6579 1 9 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.190 0.556 19235 6580 1 9 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.355 -0.520 19235 6581 1 9 . 1 1 127 127 ASP H H 127 8.620 8.620 7.948 0.672 19235 6582 1 9 . 1 1 128 128 ALA N N 128 123.280 123.280 122.684 0.596 19235 6583 1 9 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.310 -0.583 19235 6584 1 9 . 1 1 128 128 ALA C C 128 181.336 181.336 180.014 1.322 19235 6585 1 9 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.178 0.342 19235 6586 1 9 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.737 -1.589 19235 6587 1 9 . 1 1 128 128 ALA H H 128 9.439 9.439 8.086 1.353 19235 6588 1 9 . 1 1 129 129 LEU N N 129 115.298 115.298 117.878 -2.580 19235 6589 1 9 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.005 0.200 19235 6590 1 9 . 1 1 129 129 LEU C C 129 179.484 179.484 178.873 0.611 19235 6591 1 9 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.699 -2.047 19235 6592 1 9 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.972 -0.453 19235 6593 1 9 . 1 1 129 129 LEU H H 129 7.664 7.664 7.713 -0.049 19235 6594 1 9 . 1 1 130 130 GLU N N 130 117.821 117.821 117.068 0.753 19235 6595 1 9 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.163 0.135 19235 6596 1 9 . 1 1 130 130 GLU C C 130 179.567 179.567 178.228 1.339 19235 6597 1 9 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.592 0.292 19235 6598 1 9 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.365 0.436 19235 6599 1 9 . 1 1 130 130 GLU H H 130 8.605 8.605 7.974 0.631 19235 6600 1 9 . 1 1 131 131 ILE N N 131 112.140 112.140 115.915 -3.775 19235 6601 1 9 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.284 0.430 19235 6602 1 9 . 1 1 131 131 ILE C C 131 178.233 178.233 177.175 1.058 19235 6603 1 9 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.549 -0.556 19235 6604 1 9 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.890 -0.314 19235 6605 1 9 . 1 1 131 131 ILE H H 131 8.552 8.552 8.004 0.548 19235 6606 1 9 . 1 1 132 132 GLY N N 132 108.998 108.998 107.697 1.301 19235 6607 1 9 . 1 1 132 132 GLY C C 132 174.957 174.957 174.877 0.080 19235 6608 1 9 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.091 0.988 19235 6609 1 9 . 1 1 132 132 GLY H H 132 7.269 7.269 8.317 -1.048 19235 6610 1 9 . 1 1 133 133 LYS N N 133 120.920 120.920 119.940 0.980 19235 6611 1 9 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.163 0.489 19235 6612 1 9 . 1 1 133 133 LYS C C 133 175.857 175.857 177.974 -2.117 19235 6613 1 9 . 1 1 133 133 LYS CA C 133 55.761 55.761 57.356 -1.595 19235 6614 1 9 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.745 1.220 19235 6615 1 9 . 1 1 133 133 LYS H H 133 7.024 7.024 7.791 -0.767 19235 6616 1 10 . 1 1 2 2 VAL N N 2 117.791 117.791 122.223 -4.432 19235 6617 1 10 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.500 -0.054 19235 6618 1 10 . 1 1 2 2 VAL C C 2 174.276 174.276 174.233 0.043 19235 6619 1 10 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.566 -0.864 19235 6620 1 10 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.308 1.855 19235 6621 1 10 . 1 1 2 2 VAL H H 2 8.851 8.851 8.843 0.008 19235 6622 1 10 . 1 1 3 3 ASN N N 3 117.814 117.814 122.390 -4.576 19235 6623 1 10 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.563 -0.112 19235 6624 1 10 . 1 1 3 3 ASN C C 3 175.197 175.197 174.298 0.899 19235 6625 1 10 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.803 -0.345 19235 6626 1 10 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.839 -0.659 19235 6627 1 10 . 1 1 3 3 ASN H H 3 8.262 8.262 8.545 -0.283 19235 6628 1 10 . 1 1 4 4 ILE N N 4 121.231 121.231 120.024 1.207 19235 6629 1 10 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.307 -0.345 19235 6630 1 10 . 1 1 4 4 ILE C C 4 175.278 175.278 174.410 0.868 19235 6631 1 10 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.786 0.225 19235 6632 1 10 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.478 -0.141 19235 6633 1 10 . 1 1 4 4 ILE H H 4 8.533 8.533 8.945 -0.412 19235 6634 1 10 . 1 1 5 5 ASN N N 5 125.228 125.228 126.667 -1.439 19235 6635 1 10 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.344 0.222 19235 6636 1 10 . 1 1 5 5 ASN C C 5 174.061 174.061 173.921 0.140 19235 6637 1 10 . 1 1 5 5 ASN CA C 5 52.660 52.660 51.972 0.688 19235 6638 1 10 . 1 1 5 5 ASN CB C 5 41.661 41.661 39.757 1.905 19235 6639 1 10 . 1 1 5 5 ASN H H 5 8.109 8.109 8.828 -0.719 19235 6640 1 10 . 1 1 6 6 HIS N N 6 120.724 120.724 126.427 -5.703 19235 6641 1 10 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.981 0.304 19235 6642 1 10 . 1 1 6 6 HIS C C 6 177.102 177.102 173.109 3.993 19235 6643 1 10 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.289 0.337 19235 6644 1 10 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.908 4.656 19235 6645 1 10 . 1 1 6 6 HIS H H 6 9.450 9.450 9.197 0.253 19235 6646 1 10 . 1 1 7 7 ARG N N 7 124.674 124.674 123.707 0.967 19235 6647 1 10 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.273 -0.434 19235 6648 1 10 . 1 1 7 7 ARG C C 7 174.633 174.633 174.697 -0.064 19235 6649 1 10 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.551 2.049 19235 6650 1 10 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.690 -0.108 19235 6651 1 10 . 1 1 7 7 ARG H H 7 8.973 8.973 8.115 0.858 19235 6652 1 10 . 1 1 8 8 ILE N N 8 120.886 120.886 121.606 -0.720 19235 6653 1 10 . 1 1 8 8 ILE H H 8 8.405 8.405 8.479 -0.074 19235 6654 1 10 . 1 1 10 10 ILE N N 10 120.117 120.117 122.557 -2.440 19235 6655 1 10 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.378 -0.695 19235 6656 1 10 . 1 1 10 10 ILE C C 10 177.081 177.081 175.766 1.315 19235 6657 1 10 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.228 -0.425 19235 6658 1 10 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.464 -0.689 19235 6659 1 10 . 1 1 10 10 ILE H H 10 8.604 8.604 8.701 -0.097 19235 6660 1 10 . 1 1 11 11 LYS N N 11 133.535 133.535 128.497 5.038 19235 6661 1 10 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.258 0.233 19235 6662 1 10 . 1 1 11 11 LYS C C 11 174.943 174.943 175.123 -0.180 19235 6663 1 10 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.560 -1.456 19235 6664 1 10 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.653 -1.572 19235 6665 1 10 . 1 1 11 11 LYS H H 11 10.550 10.550 8.911 1.639 19235 6666 1 10 . 1 1 12 12 ALA N N 12 123.135 123.135 122.804 0.331 19235 6667 1 10 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.671 -0.150 19235 6668 1 10 . 1 1 12 12 ALA C C 12 176.178 176.178 175.340 0.838 19235 6669 1 10 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.329 -0.565 19235 6670 1 10 . 1 1 12 12 ALA CB C 12 22.027 22.027 21.863 0.164 19235 6671 1 10 . 1 1 12 12 ALA H H 12 7.933 7.933 8.122 -0.189 19235 6672 1 10 . 1 1 13 13 SER N N 13 116.710 116.710 116.492 0.218 19235 6673 1 10 . 1 1 13 13 SER HA H 13 4.588 4.588 4.638 -0.050 19235 6674 1 10 . 1 1 13 13 SER C C 13 174.197 174.197 174.811 -0.614 19235 6675 1 10 . 1 1 13 13 SER CA C 13 56.147 56.147 56.213 -0.066 19235 6676 1 10 . 1 1 13 13 SER CB C 13 62.656 62.656 63.850 -1.194 19235 6677 1 10 . 1 1 13 13 SER H H 13 8.492 8.492 8.543 -0.051 19235 6678 1 10 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.243 -0.191 19235 6679 1 10 . 1 1 14 14 PRO C C 14 178.833 178.833 178.668 0.165 19235 6680 1 10 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.275 0.272 19235 6681 1 10 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.807 -0.498 19235 6682 1 10 . 1 1 15 15 GLU N N 15 116.821 116.821 120.120 -3.299 19235 6683 1 10 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.353 -0.085 19235 6684 1 10 . 1 1 15 15 GLU C C 15 180.574 180.574 178.631 1.943 19235 6685 1 10 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.552 0.113 19235 6686 1 10 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.218 -0.614 19235 6687 1 10 . 1 1 15 15 GLU H H 15 8.821 8.821 8.640 0.181 19235 6688 1 10 . 1 1 16 16 LYS N N 16 120.446 120.446 119.341 1.105 19235 6689 1 10 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.123 -0.092 19235 6690 1 10 . 1 1 16 16 LYS C C 16 181.277 181.277 179.321 1.956 19235 6691 1 10 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.566 -0.834 19235 6692 1 10 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.577 -0.659 19235 6693 1 10 . 1 1 16 16 LYS H H 16 7.634 7.634 7.856 -0.222 19235 6694 1 10 . 1 1 17 17 ILE N N 17 120.100 120.100 120.137 -0.037 19235 6695 1 10 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.611 -0.181 19235 6696 1 10 . 1 1 17 17 ILE C C 17 177.873 177.873 177.577 0.296 19235 6697 1 10 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.331 -0.282 19235 6698 1 10 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.112 -0.543 19235 6699 1 10 . 1 1 17 17 ILE H H 17 7.797 7.797 7.977 -0.180 19235 6700 1 10 . 1 1 18 18 TYR N N 18 119.139 119.139 120.243 -1.104 19235 6701 1 10 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.872 -0.109 19235 6702 1 10 . 1 1 18 18 TYR C C 18 181.847 181.847 177.762 4.085 19235 6703 1 10 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.086 0.590 19235 6704 1 10 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.298 0.908 19235 6705 1 10 . 1 1 18 18 TYR H H 18 9.072 9.072 8.098 0.974 19235 6706 1 10 . 1 1 19 19 GLN N N 19 120.579 120.579 117.872 2.707 19235 6707 1 10 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.813 0.062 19235 6708 1 10 . 1 1 19 19 GLN C C 19 178.871 178.871 178.821 0.050 19235 6709 1 10 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.638 0.969 19235 6710 1 10 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.865 -0.683 19235 6711 1 10 . 1 1 19 19 GLN H H 19 8.330 8.330 8.344 -0.014 19235 6712 1 10 . 1 1 20 20 ALA N N 20 121.903 121.903 121.613 0.290 19235 6713 1 10 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.225 -0.099 19235 6714 1 10 . 1 1 20 20 ALA C C 20 177.058 177.058 179.245 -2.187 19235 6715 1 10 . 1 1 20 20 ALA CA C 20 54.070 54.070 55.016 -0.946 19235 6716 1 10 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.569 -0.631 19235 6717 1 10 . 1 1 20 20 ALA H H 20 7.451 7.451 8.090 -0.639 19235 6718 1 10 . 1 1 21 21 LEU N N 21 112.471 112.471 113.458 -0.987 19235 6719 1 10 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.405 -0.584 19235 6720 1 10 . 1 1 21 21 LEU C C 21 178.910 178.910 177.664 1.246 19235 6721 1 10 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.811 -1.309 19235 6722 1 10 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.335 1.876 19235 6723 1 10 . 1 1 21 21 LEU H H 21 7.061 7.061 7.314 -0.253 19235 6724 1 10 . 1 1 22 22 THR N N 22 100.722 100.722 106.262 -5.540 19235 6725 1 10 . 1 1 22 22 THR HA H 22 4.558 4.558 4.511 0.047 19235 6726 1 10 . 1 1 22 22 THR C C 22 175.792 175.792 174.790 1.002 19235 6727 1 10 . 1 1 22 22 THR CA C 22 61.081 61.081 61.273 -0.192 19235 6728 1 10 . 1 1 22 22 THR CB C 22 71.747 71.747 70.129 1.618 19235 6729 1 10 . 1 1 22 22 THR H H 22 7.069 7.069 7.401 -0.332 19235 6730 1 10 . 1 1 23 23 THR N N 23 109.777 109.777 112.522 -2.745 19235 6731 1 10 . 1 1 23 23 THR HA H 23 4.893 4.893 4.664 0.229 19235 6732 1 10 . 1 1 23 23 THR C C 23 174.449 174.449 174.403 0.046 19235 6733 1 10 . 1 1 23 23 THR CA C 23 58.343 58.343 59.382 -1.039 19235 6734 1 10 . 1 1 23 23 THR CB C 23 72.836 72.836 72.286 0.550 19235 6735 1 10 . 1 1 23 23 THR H H 23 7.308 7.308 7.647 -0.339 19235 6736 1 10 . 1 1 24 24 ASP N N 24 126.109 126.109 123.678 2.431 19235 6737 1 10 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.324 -0.088 19235 6738 1 10 . 1 1 24 24 ASP C C 24 179.062 179.062 177.739 1.323 19235 6739 1 10 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.906 0.366 19235 6740 1 10 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.182 -0.400 19235 6741 1 10 . 1 1 24 24 ASP H H 24 9.248 9.248 8.877 0.371 19235 6742 1 10 . 1 1 25 25 ASP N N 25 114.688 114.688 117.631 -2.943 19235 6743 1 10 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.420 -0.150 19235 6744 1 10 . 1 1 25 25 ASP C C 25 179.453 179.453 178.287 1.166 19235 6745 1 10 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.820 0.285 19235 6746 1 10 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.062 0.342 19235 6747 1 10 . 1 1 25 25 ASP H H 25 8.640 8.640 8.582 0.058 19235 6748 1 10 . 1 1 26 26 GLY N N 26 108.020 108.020 107.073 0.947 19235 6749 1 10 . 1 1 26 26 GLY C C 26 176.629 176.629 176.752 -0.123 19235 6750 1 10 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.497 0.915 19235 6751 1 10 . 1 1 26 26 GLY H H 26 7.756 7.756 7.620 0.136 19235 6752 1 10 . 1 1 27 27 LEU N N 27 124.486 124.486 123.514 0.972 19235 6753 1 10 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.868 0.680 19235 6754 1 10 . 1 1 27 27 LEU C C 27 180.999 180.999 178.646 2.353 19235 6755 1 10 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.099 1.056 19235 6756 1 10 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.673 2.635 19235 6757 1 10 . 1 1 27 27 LEU H H 27 8.401 8.401 8.086 0.315 19235 6758 1 10 . 1 1 28 28 LYS N N 28 118.482 118.482 117.290 1.192 19235 6759 1 10 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.156 0.109 19235 6760 1 10 . 1 1 28 28 LYS C C 28 179.269 179.269 178.313 0.956 19235 6761 1 10 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.542 -1.595 19235 6762 1 10 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.091 1.554 19235 6763 1 10 . 1 1 28 28 LYS H H 28 7.864 7.864 7.918 -0.054 19235 6764 1 10 . 1 1 29 29 LYS N N 29 113.309 113.309 117.185 -3.876 19235 6765 1 10 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.169 0.026 19235 6766 1 10 . 1 1 29 29 LYS C C 29 178.869 178.869 177.778 1.091 19235 6767 1 10 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.604 -0.778 19235 6768 1 10 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.093 -0.244 19235 6769 1 10 . 1 1 29 29 LYS H H 29 7.666 7.666 7.636 0.030 19235 6770 1 10 . 1 1 30 30 TRP N N 30 108.469 108.469 115.156 -6.687 19235 6771 1 10 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.954 0.306 19235 6772 1 10 . 1 1 30 30 TRP C C 30 176.975 176.975 176.243 0.732 19235 6773 1 10 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.335 -0.743 19235 6774 1 10 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.982 1.466 19235 6775 1 10 . 1 1 30 30 TRP H H 30 7.427 7.427 7.342 0.085 19235 6776 1 10 . 1 1 31 31 TRP N N 31 124.489 124.489 123.383 1.106 19235 6777 1 10 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.173 1.058 19235 6778 1 10 . 1 1 31 31 TRP C C 31 175.907 175.907 175.424 0.483 19235 6779 1 10 . 1 1 31 31 TRP CA C 31 56.687 56.687 59.316 -2.629 19235 6780 1 10 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.469 -1.481 19235 6781 1 10 . 1 1 31 31 TRP H H 31 7.525 7.525 7.717 -0.192 19235 6782 1 10 . 1 1 32 32 THR N N 32 107.670 107.670 110.170 -2.500 19235 6783 1 10 . 1 1 32 32 THR HA H 32 5.064 5.064 4.376 0.688 19235 6784 1 10 . 1 1 32 32 THR C C 32 171.071 171.071 173.733 -2.662 19235 6785 1 10 . 1 1 32 32 THR CA C 32 57.486 57.486 60.374 -2.888 19235 6786 1 10 . 1 1 32 32 THR CB C 32 67.302 67.302 69.772 -2.470 19235 6787 1 10 . 1 1 32 32 THR H H 32 6.582 6.582 7.410 -0.828 19235 6788 1 10 . 1 1 33 33 ASN N N 33 118.705 118.705 118.239 0.466 19235 6789 1 10 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.604 0.111 19235 6790 1 10 . 1 1 33 33 ASN C C 33 176.424 176.424 174.968 1.456 19235 6791 1 10 . 1 1 33 33 ASN CA C 33 54.187 54.187 54.908 -0.721 19235 6792 1 10 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.836 -0.958 19235 6793 1 10 . 1 1 33 33 ASN H H 33 8.281 8.281 8.479 -0.198 19235 6794 1 10 . 1 1 34 34 ASP N N 34 121.174 121.174 120.544 0.630 19235 6795 1 10 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.821 -0.091 19235 6796 1 10 . 1 1 34 34 ASP C C 34 174.163 174.163 173.939 0.224 19235 6797 1 10 . 1 1 34 34 ASP CA C 34 52.699 52.699 52.915 -0.216 19235 6798 1 10 . 1 1 34 34 ASP CB C 34 40.440 40.440 40.912 -0.472 19235 6799 1 10 . 1 1 34 34 ASP H H 34 6.751 6.751 8.164 -1.413 19235 6800 1 10 . 1 1 35 35 ILE N N 35 120.932 120.932 124.578 -3.646 19235 6801 1 10 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.841 -0.278 19235 6802 1 10 . 1 1 35 35 ILE C C 35 175.512 175.512 174.045 1.467 19235 6803 1 10 . 1 1 35 35 ILE CA C 35 60.429 60.429 60.146 0.283 19235 6804 1 10 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.628 0.481 19235 6805 1 10 . 1 1 35 35 ILE H H 35 6.805 6.805 7.955 -1.150 19235 6806 1 10 . 1 1 36 36 SER N N 36 117.993 117.993 118.070 -0.077 19235 6807 1 10 . 1 1 36 36 SER HA H 36 4.600 4.600 5.041 -0.441 19235 6808 1 10 . 1 1 36 36 SER C C 36 174.509 174.509 173.775 0.734 19235 6809 1 10 . 1 1 36 36 SER CA C 36 56.936 56.936 56.797 0.139 19235 6810 1 10 . 1 1 36 36 SER CB C 36 65.556 65.556 64.792 0.764 19235 6811 1 10 . 1 1 36 36 SER H H 36 7.508 7.508 8.202 -0.694 19235 6812 1 10 . 1 1 37 37 GLY N N 37 112.153 112.153 113.484 -1.331 19235 6813 1 10 . 1 1 37 37 GLY C C 37 175.786 175.786 173.071 2.715 19235 6814 1 10 . 1 1 37 37 GLY CA C 37 44.868 44.868 44.868 -0.000 19235 6815 1 10 . 1 1 37 37 GLY H H 37 8.914 8.914 8.959 -0.045 19235 6816 1 10 . 1 1 38 38 ALA N N 38 125.303 125.303 124.788 0.515 19235 6817 1 10 . 1 1 38 38 ALA HA H 38 3.649 3.649 4.207 -0.558 19235 6818 1 10 . 1 1 38 38 ALA C C 38 179.569 179.569 176.708 2.861 19235 6819 1 10 . 1 1 38 38 ALA CA C 38 54.299 54.299 53.388 0.911 19235 6820 1 10 . 1 1 38 38 ALA CB C 38 17.266 17.266 19.098 -1.832 19235 6821 1 10 . 1 1 38 38 ALA H H 38 10.037 10.037 8.266 1.771 19235 6822 1 10 . 1 1 39 39 GLY N N 39 110.076 110.076 111.011 -0.935 19235 6823 1 10 . 1 1 39 39 GLY C C 39 175.023 175.023 173.813 1.210 19235 6824 1 10 . 1 1 39 39 GLY CA C 39 45.930 45.930 45.237 0.693 19235 6825 1 10 . 1 1 39 39 GLY H H 39 6.982 6.982 8.039 -1.057 19235 6826 1 10 . 1 1 40 40 VAL N N 40 114.196 114.196 116.529 -2.333 19235 6827 1 10 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.682 -0.398 19235 6828 1 10 . 1 1 40 40 VAL C C 40 177.795 177.795 174.969 2.826 19235 6829 1 10 . 1 1 40 40 VAL CA C 40 61.133 61.133 58.765 2.368 19235 6830 1 10 . 1 1 40 40 VAL CB C 40 32.878 32.878 35.082 -2.204 19235 6831 1 10 . 1 1 40 40 VAL H H 40 7.857 7.857 8.000 -0.143 19235 6832 1 10 . 1 1 41 41 VAL N N 41 120.950 120.950 120.694 0.256 19235 6833 1 10 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.741 -0.173 19235 6834 1 10 . 1 1 41 41 VAL C C 41 177.788 177.788 177.090 0.698 19235 6835 1 10 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.673 1.523 19235 6836 1 10 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.273 -0.086 19235 6837 1 10 . 1 1 41 41 VAL H H 41 8.469 8.469 8.344 0.125 19235 6838 1 10 . 1 1 42 42 GLY N N 42 116.155 116.155 115.831 0.324 19235 6839 1 10 . 1 1 42 42 GLY C C 42 176.032 176.032 174.814 1.218 19235 6840 1 10 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.758 -0.366 19235 6841 1 10 . 1 1 42 42 GLY H H 42 9.266 9.266 9.007 0.259 19235 6842 1 10 . 1 1 43 43 SER N N 43 118.352 118.352 118.385 -0.033 19235 6843 1 10 . 1 1 43 43 SER HA H 43 4.385 4.385 4.539 -0.154 19235 6844 1 10 . 1 1 43 43 SER C C 43 173.302 173.302 173.768 -0.466 19235 6845 1 10 . 1 1 43 43 SER CA C 43 59.910 59.910 60.051 -0.141 19235 6846 1 10 . 1 1 43 43 SER CB C 43 63.931 63.931 64.236 -0.305 19235 6847 1 10 . 1 1 43 43 SER H H 43 8.408 8.408 8.236 0.172 19235 6848 1 10 . 1 1 44 44 THR N N 44 118.418 118.418 118.736 -0.318 19235 6849 1 10 . 1 1 44 44 THR HA H 44 4.815 4.815 4.697 0.118 19235 6850 1 10 . 1 1 44 44 THR C C 44 173.450 173.450 173.633 -0.183 19235 6851 1 10 . 1 1 44 44 THR CA C 44 62.444 62.444 61.498 0.946 19235 6852 1 10 . 1 1 44 44 THR CB C 44 69.663 69.663 70.213 -0.550 19235 6853 1 10 . 1 1 44 44 THR H H 44 8.386 8.386 8.447 -0.061 19235 6854 1 10 . 1 1 45 45 ILE N N 45 127.861 127.861 128.082 -0.221 19235 6855 1 10 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.239 -0.401 19235 6856 1 10 . 1 1 45 45 ILE C C 45 176.164 176.164 174.115 2.049 19235 6857 1 10 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.370 0.053 19235 6858 1 10 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.823 -1.290 19235 6859 1 10 . 1 1 45 45 ILE H H 45 9.423 9.423 8.913 0.510 19235 6860 1 10 . 1 1 46 46 LYS N N 46 125.403 125.403 127.548 -2.145 19235 6861 1 10 . 1 1 46 46 LYS HA H 46 4.523 4.523 5.053 -0.530 19235 6862 1 10 . 1 1 46 46 LYS C C 46 176.574 176.574 175.254 1.320 19235 6863 1 10 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.511 1.115 19235 6864 1 10 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.367 -3.418 19235 6865 1 10 . 1 1 46 46 LYS H H 46 8.388 8.388 8.709 -0.321 19235 6866 1 10 . 1 1 47 47 PHE N N 47 124.081 124.081 124.513 -0.432 19235 6867 1 10 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.805 -0.404 19235 6868 1 10 . 1 1 47 47 PHE C C 47 177.107 177.107 175.593 1.514 19235 6869 1 10 . 1 1 47 47 PHE CA C 47 57.154 57.154 55.391 1.763 19235 6870 1 10 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.501 -1.864 19235 6871 1 10 . 1 1 47 47 PHE H H 47 8.026 8.026 8.591 -0.565 19235 6872 1 10 . 1 1 48 48 ARG N N 48 121.376 121.376 121.425 -0.049 19235 6873 1 10 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.294 0.266 19235 6874 1 10 . 1 1 48 48 ARG C C 48 175.042 175.042 174.596 0.446 19235 6875 1 10 . 1 1 48 48 ARG CA C 48 52.582 52.582 57.099 -4.517 19235 6876 1 10 . 1 1 48 48 ARG CB C 48 32.558 32.558 30.961 1.597 19235 6877 1 10 . 1 1 48 48 ARG H H 48 8.521 8.521 8.516 0.005 19235 6878 1 10 . 1 1 49 49 PHE N N 49 121.884 121.884 124.748 -2.864 19235 6879 1 10 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.758 -0.959 19235 6880 1 10 . 1 1 49 49 PHE C C 49 175.580 175.580 173.512 2.068 19235 6881 1 10 . 1 1 49 49 PHE CA C 49 55.306 55.306 57.231 -1.925 19235 6882 1 10 . 1 1 49 49 PHE CB C 49 37.110 37.110 43.340 -6.230 19235 6883 1 10 . 1 1 49 49 PHE H H 49 8.649 8.649 8.540 0.109 19235 6884 1 10 . 1 1 50 50 ASN N N 50 121.994 121.994 125.608 -3.614 19235 6885 1 10 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.589 -0.177 19235 6886 1 10 . 1 1 50 50 ASN C C 50 177.277 177.277 175.081 2.196 19235 6887 1 10 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.142 0.175 19235 6888 1 10 . 1 1 50 50 ASN CB C 50 37.124 37.124 37.396 -0.272 19235 6889 1 10 . 1 1 50 50 ASN H H 50 9.296 9.296 8.473 0.823 19235 6890 1 10 . 1 1 51 51 GLY N N 51 103.211 103.211 111.808 -8.597 19235 6891 1 10 . 1 1 51 51 GLY C C 51 175.077 175.077 174.043 1.034 19235 6892 1 10 . 1 1 51 51 GLY CA C 51 45.628 45.628 44.897 0.731 19235 6893 1 10 . 1 1 51 51 GLY H H 51 8.532 8.532 8.127 0.405 19235 6894 1 10 . 1 1 52 52 GLY N N 52 106.323 106.323 109.755 -3.432 19235 6895 1 10 . 1 1 52 52 GLY C C 52 173.770 173.770 174.659 -0.889 19235 6896 1 10 . 1 1 52 52 GLY CA C 52 43.487 43.487 45.207 -1.720 19235 6897 1 10 . 1 1 52 52 GLY H H 52 7.215 7.215 8.006 -0.791 19235 6898 1 10 . 1 1 53 53 GLY N N 53 109.867 109.867 111.208 -1.341 19235 6899 1 10 . 1 1 53 53 GLY C C 53 169.984 169.984 173.561 -3.577 19235 6900 1 10 . 1 1 53 53 GLY CA C 53 45.504 45.504 44.149 1.355 19235 6901 1 10 . 1 1 53 53 GLY H H 53 8.412 8.412 8.527 -0.115 19235 6902 1 10 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.510 0.853 19235 6903 1 10 . 1 1 54 54 PRO C C 54 175.960 175.960 175.096 0.864 19235 6904 1 10 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.265 0.370 19235 6905 1 10 . 1 1 54 54 PRO CB C 54 33.340 33.340 33.399 -0.059 19235 6906 1 10 . 1 1 55 55 ASP N N 55 118.374 118.374 119.373 -0.999 19235 6907 1 10 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.305 0.473 19235 6908 1 10 . 1 1 55 55 ASP C C 55 176.144 176.144 174.820 1.324 19235 6909 1 10 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.382 -1.806 19235 6910 1 10 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.242 -2.771 19235 6911 1 10 . 1 1 55 55 ASP H H 55 6.732 6.732 8.024 -1.292 19235 6912 1 10 . 1 1 56 56 PHE N N 56 116.916 116.916 121.282 -4.366 19235 6913 1 10 . 1 1 56 56 PHE HA H 56 5.083 5.083 4.962 0.121 19235 6914 1 10 . 1 1 56 56 PHE C C 56 175.088 175.088 174.773 0.315 19235 6915 1 10 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.587 0.775 19235 6916 1 10 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.806 1.490 19235 6917 1 10 . 1 1 56 56 PHE H H 56 9.140 9.140 8.926 0.214 19235 6918 1 10 . 1 1 57 57 LYS N N 57 123.219 123.219 123.332 -0.113 19235 6919 1 10 . 1 1 57 57 LYS HA H 57 5.238 5.238 5.026 0.212 19235 6920 1 10 . 1 1 57 57 LYS C C 57 177.979 177.979 176.228 1.751 19235 6921 1 10 . 1 1 57 57 LYS CA C 57 54.310 54.310 54.958 -0.648 19235 6922 1 10 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.967 -1.037 19235 6923 1 10 . 1 1 57 57 LYS H H 57 9.574 9.574 9.095 0.479 19235 6924 1 10 . 1 1 58 58 VAL N N 58 127.037 127.037 124.302 2.735 19235 6925 1 10 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.394 0.273 19235 6926 1 10 . 1 1 58 58 VAL C C 58 178.738 178.738 176.832 1.906 19235 6927 1 10 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.648 1.107 19235 6928 1 10 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.664 0.069 19235 6929 1 10 . 1 1 58 58 VAL H H 58 9.196 9.196 8.513 0.683 19235 6930 1 10 . 1 1 59 59 THR N N 59 120.775 120.775 120.129 0.646 19235 6931 1 10 . 1 1 59 59 THR HA H 59 4.716 4.716 4.465 0.251 19235 6932 1 10 . 1 1 59 59 THR C C 59 177.001 177.001 174.744 2.257 19235 6933 1 10 . 1 1 59 59 THR CA C 59 62.615 62.615 62.114 0.501 19235 6934 1 10 . 1 1 59 59 THR CB C 59 69.528 69.528 69.774 -0.246 19235 6935 1 10 . 1 1 59 59 THR H H 59 9.470 9.470 9.215 0.255 19235 6936 1 10 . 1 1 60 60 LYS N N 60 123.315 123.315 121.242 2.073 19235 6937 1 10 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.553 -0.121 19235 6938 1 10 . 1 1 60 60 LYS C C 60 174.225 174.225 173.847 0.378 19235 6939 1 10 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.584 1.335 19235 6940 1 10 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.413 -1.082 19235 6941 1 10 . 1 1 60 60 LYS H H 60 7.819 7.819 7.816 0.003 19235 6942 1 10 . 1 1 61 61 LEU N N 61 125.573 125.573 126.533 -0.960 19235 6943 1 10 . 1 1 61 61 LEU HA H 61 5.215 5.215 4.791 0.424 19235 6944 1 10 . 1 1 61 61 LEU C C 61 177.508 177.508 174.774 2.734 19235 6945 1 10 . 1 1 61 61 LEU CA C 61 54.354 54.354 54.858 -0.504 19235 6946 1 10 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.387 0.382 19235 6947 1 10 . 1 1 61 61 LEU H H 61 8.354 8.354 8.579 -0.225 19235 6948 1 10 . 1 1 62 62 ILE N N 62 124.326 124.326 127.223 -2.897 19235 6949 1 10 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.632 0.139 19235 6950 1 10 . 1 1 62 62 ILE C C 62 175.200 175.200 173.217 1.983 19235 6951 1 10 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.515 1.441 19235 6952 1 10 . 1 1 62 62 ILE CB C 62 38.287 38.287 38.791 -0.504 19235 6953 1 10 . 1 1 62 62 ILE H H 62 9.340 9.340 9.051 0.289 19235 6954 1 10 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.478 -0.190 19235 6955 1 10 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.737 0.131 19235 6956 1 10 . 1 1 64 64 ASN N N 64 113.559 113.559 116.549 -2.990 19235 6957 1 10 . 1 1 64 64 ASN HA H 64 3.455 3.455 4.187 -0.732 19235 6958 1 10 . 1 1 64 64 ASN C C 64 174.053 174.053 174.305 -0.252 19235 6959 1 10 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.354 1.018 19235 6960 1 10 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.924 -0.054 19235 6961 1 10 . 1 1 64 64 ASN H H 64 4.547 4.547 7.852 -3.305 19235 6962 1 10 . 1 1 65 65 LYS N N 65 116.786 116.786 116.943 -0.157 19235 6963 1 10 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.449 0.364 19235 6964 1 10 . 1 1 65 65 LYS C C 65 176.349 176.349 174.392 1.957 19235 6965 1 10 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.429 1.599 19235 6966 1 10 . 1 1 65 65 LYS CB C 65 36.436 36.436 34.536 1.899 19235 6967 1 10 . 1 1 65 65 LYS H H 65 8.222 8.222 7.891 0.331 19235 6968 1 10 . 1 1 66 66 THR N N 66 114.184 114.184 117.402 -3.218 19235 6969 1 10 . 1 1 66 66 THR HA H 66 5.462 5.462 5.484 -0.022 19235 6970 1 10 . 1 1 66 66 THR C C 66 173.770 173.770 172.693 1.077 19235 6971 1 10 . 1 1 66 66 THR CA C 66 62.725 62.725 61.609 1.116 19235 6972 1 10 . 1 1 66 66 THR CB C 66 73.439 73.439 72.017 1.422 19235 6973 1 10 . 1 1 66 66 THR H H 66 8.667 8.667 7.731 0.936 19235 6974 1 10 . 1 1 67 67 VAL N N 67 127.075 127.075 126.568 0.507 19235 6975 1 10 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.724 -0.018 19235 6976 1 10 . 1 1 67 67 VAL C C 67 176.093 176.093 173.971 2.122 19235 6977 1 10 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.581 1.377 19235 6978 1 10 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.412 0.765 19235 6979 1 10 . 1 1 67 67 VAL H H 67 8.777 8.777 9.033 -0.256 19235 6980 1 10 . 1 1 68 68 CYS N N 68 122.749 122.749 127.015 -4.266 19235 6981 1 10 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.407 0.076 19235 6982 1 10 . 1 1 68 68 CYS C C 68 174.607 174.607 173.672 0.935 19235 6983 1 10 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.361 0.776 19235 6984 1 10 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.961 0.713 19235 6985 1 10 . 1 1 68 68 CYS H H 68 8.987 8.987 9.105 -0.118 19235 6986 1 10 . 1 1 69 69 TRP N N 69 123.217 123.217 127.329 -4.112 19235 6987 1 10 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.652 0.660 19235 6988 1 10 . 1 1 69 69 TRP C C 69 178.064 178.064 174.982 3.082 19235 6989 1 10 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.186 -1.388 19235 6990 1 10 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.466 3.674 19235 6991 1 10 . 1 1 69 69 TRP H H 69 9.612 9.612 9.354 0.258 19235 6992 1 10 . 1 1 70 70 GLN N N 70 122.556 122.556 120.407 2.149 19235 6993 1 10 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.862 0.422 19235 6994 1 10 . 1 1 70 70 GLN C C 70 176.295 176.295 174.472 1.823 19235 6995 1 10 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.176 0.710 19235 6996 1 10 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.323 0.954 19235 6997 1 10 . 1 1 70 70 GLN H H 70 10.132 10.132 9.283 0.849 19235 6998 1 10 . 1 1 71 71 HIS N N 71 128.443 128.443 127.969 0.474 19235 6999 1 10 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.605 -0.619 19235 7000 1 10 . 1 1 71 71 HIS C C 71 175.251 175.251 173.677 1.574 19235 7001 1 10 . 1 1 71 71 HIS CA C 71 60.992 60.992 56.103 4.888 19235 7002 1 10 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.404 -0.178 19235 7003 1 10 . 1 1 71 71 HIS H H 71 8.947 8.947 8.488 0.459 19235 7004 1 10 . 1 1 72 72 ALA N N 72 131.788 131.788 129.486 2.302 19235 7005 1 10 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.280 0.427 19235 7006 1 10 . 1 1 72 72 ALA C C 72 176.274 176.274 175.160 1.114 19235 7007 1 10 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.267 -0.766 19235 7008 1 10 . 1 1 72 72 ALA CB C 72 21.372 21.372 19.533 1.839 19235 7009 1 10 . 1 1 72 72 ALA H H 72 7.954 7.954 8.018 -0.064 19235 7010 1 10 . 1 1 73 73 GLY N N 73 107.065 107.065 107.954 -0.889 19235 7011 1 10 . 1 1 73 73 GLY C C 73 175.476 175.476 173.357 2.119 19235 7012 1 10 . 1 1 73 73 GLY CA C 73 44.907 44.907 43.391 1.516 19235 7013 1 10 . 1 1 73 73 GLY H H 73 8.037 8.037 6.924 1.113 19235 7014 1 10 . 1 1 74 74 ASN N N 74 117.053 117.053 118.318 -1.265 19235 7015 1 10 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.702 0.556 19235 7016 1 10 . 1 1 74 74 ASN C C 74 175.858 175.858 174.564 1.294 19235 7017 1 10 . 1 1 74 74 ASN CA C 74 52.628 52.628 53.062 -0.434 19235 7018 1 10 . 1 1 74 74 ASN CB C 74 39.618 39.618 36.774 2.844 19235 7019 1 10 . 1 1 74 74 ASN H H 74 8.214 8.214 8.640 -0.426 19235 7020 1 10 . 1 1 75 75 MET N N 75 118.795 118.795 120.778 -1.983 19235 7021 1 10 . 1 1 75 75 MET HA H 75 4.972 4.972 4.922 0.050 19235 7022 1 10 . 1 1 75 75 MET C C 75 176.426 176.426 173.643 2.783 19235 7023 1 10 . 1 1 75 75 MET CA C 75 52.203 52.203 52.749 -0.546 19235 7024 1 10 . 1 1 75 75 MET CB C 75 35.318 35.318 35.166 0.152 19235 7025 1 10 . 1 1 75 75 MET H H 75 8.685 8.685 7.675 1.010 19235 7026 1 10 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.514 0.404 19235 7027 1 10 . 1 1 76 76 PRO C C 76 179.193 179.193 177.024 2.169 19235 7028 1 10 . 1 1 76 76 PRO CA C 76 62.896 62.896 63.219 -0.324 19235 7029 1 10 . 1 1 76 76 PRO CB C 76 32.869 32.869 32.564 0.305 19235 7030 1 10 . 1 1 77 77 GLU N N 77 124.888 124.888 125.590 -0.702 19235 7031 1 10 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.873 -0.071 19235 7032 1 10 . 1 1 77 77 GLU C C 77 181.035 181.035 178.219 2.816 19235 7033 1 10 . 1 1 77 77 GLU CA C 77 60.350 60.350 60.429 -0.079 19235 7034 1 10 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.702 -0.535 19235 7035 1 10 . 1 1 77 77 GLU H H 77 9.141 9.141 8.945 0.196 19235 7036 1 10 . 1 1 78 78 SER N N 78 111.049 111.049 110.687 0.362 19235 7037 1 10 . 1 1 78 78 SER HA H 78 4.335 4.335 4.081 0.254 19235 7038 1 10 . 1 1 78 78 SER C C 78 174.864 174.864 174.843 0.021 19235 7039 1 10 . 1 1 78 78 SER CA C 78 60.184 60.184 60.104 0.080 19235 7040 1 10 . 1 1 78 78 SER CB C 78 63.543 63.543 62.556 0.987 19235 7041 1 10 . 1 1 78 78 SER H H 78 8.349 8.349 8.262 0.087 19235 7042 1 10 . 1 1 79 79 TRP N N 79 115.554 115.554 119.362 -3.808 19235 7043 1 10 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.833 -0.518 19235 7044 1 10 . 1 1 79 79 TRP C C 79 178.135 178.135 175.582 2.553 19235 7045 1 10 . 1 1 79 79 TRP CA C 79 54.664 54.664 56.428 -1.764 19235 7046 1 10 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.143 -2.187 19235 7047 1 10 . 1 1 79 79 TRP H H 79 7.492 7.492 7.950 -0.458 19235 7048 1 10 . 1 1 80 80 MET N N 80 123.060 123.060 118.846 4.214 19235 7049 1 10 . 1 1 80 80 MET HA H 80 4.677 4.677 4.928 -0.251 19235 7050 1 10 . 1 1 80 80 MET C C 80 179.026 179.026 176.803 2.223 19235 7051 1 10 . 1 1 80 80 MET CA C 80 58.410 58.410 56.797 1.613 19235 7052 1 10 . 1 1 80 80 MET CB C 80 32.136 32.136 35.483 -3.347 19235 7053 1 10 . 1 1 80 80 MET H H 80 7.570 7.570 7.671 -0.101 19235 7054 1 10 . 1 1 81 81 GLY N N 81 112.489 112.489 109.871 2.618 19235 7055 1 10 . 1 1 81 81 GLY C C 81 176.316 176.316 174.220 2.096 19235 7056 1 10 . 1 1 81 81 GLY CA C 81 45.856 45.856 45.077 0.779 19235 7057 1 10 . 1 1 81 81 GLY H H 81 9.025 9.025 7.816 1.209 19235 7058 1 10 . 1 1 82 82 THR N N 82 110.515 110.515 113.489 -2.974 19235 7059 1 10 . 1 1 82 82 THR HA H 82 4.925 4.925 4.532 0.393 19235 7060 1 10 . 1 1 82 82 THR C C 82 175.233 175.233 173.103 2.130 19235 7061 1 10 . 1 1 82 82 THR CA C 82 61.666 61.666 60.192 1.474 19235 7062 1 10 . 1 1 82 82 THR CB C 82 72.105 72.105 71.701 0.404 19235 7063 1 10 . 1 1 82 82 THR H H 82 8.201 8.201 7.816 0.385 19235 7064 1 10 . 1 1 83 83 GLU N N 83 117.578 117.578 122.729 -5.151 19235 7065 1 10 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.212 0.092 19235 7066 1 10 . 1 1 83 83 GLU C C 83 175.305 175.305 174.395 0.910 19235 7067 1 10 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.325 0.504 19235 7068 1 10 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.677 0.102 19235 7069 1 10 . 1 1 83 83 GLU H H 83 8.098 8.098 8.463 -0.365 19235 7070 1 10 . 1 1 84 84 ILE N N 84 122.729 122.729 125.591 -2.862 19235 7071 1 10 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.519 0.325 19235 7072 1 10 . 1 1 84 84 ILE C C 84 175.731 175.731 173.981 1.750 19235 7073 1 10 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.779 -0.647 19235 7074 1 10 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.307 0.158 19235 7075 1 10 . 1 1 84 84 ILE H H 84 9.191 9.191 9.054 0.137 19235 7076 1 10 . 1 1 85 85 SER N N 85 119.684 119.684 120.107 -0.423 19235 7077 1 10 . 1 1 85 85 SER HA H 85 5.269 5.269 5.143 0.126 19235 7078 1 10 . 1 1 85 85 SER C C 85 173.140 173.140 172.756 0.384 19235 7079 1 10 . 1 1 85 85 SER CA C 85 55.616 55.616 55.633 -0.017 19235 7080 1 10 . 1 1 85 85 SER CB C 85 66.396 66.396 65.330 1.066 19235 7081 1 10 . 1 1 85 85 SER H H 85 8.264 8.264 8.568 -0.304 19235 7082 1 10 . 1 1 86 86 PHE N N 86 120.734 120.734 124.166 -3.432 19235 7083 1 10 . 1 1 86 86 PHE HA H 86 4.808 4.808 4.962 -0.154 19235 7084 1 10 . 1 1 86 86 PHE C C 86 175.882 175.882 174.243 1.639 19235 7085 1 10 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.665 -0.520 19235 7086 1 10 . 1 1 86 86 PHE CB C 86 41.089 41.089 41.310 -0.221 19235 7087 1 10 . 1 1 86 86 PHE H H 86 9.202 9.202 9.170 0.032 19235 7088 1 10 . 1 1 87 87 GLN N N 87 120.452 120.452 124.293 -3.841 19235 7089 1 10 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.355 0.066 19235 7090 1 10 . 1 1 87 87 GLN C C 87 176.561 176.561 174.477 2.084 19235 7091 1 10 . 1 1 87 87 GLN CA C 87 53.950 53.950 53.865 0.085 19235 7092 1 10 . 1 1 87 87 GLN CB C 87 30.701 30.701 31.682 -0.981 19235 7093 1 10 . 1 1 87 87 GLN H H 87 8.663 8.663 9.050 -0.387 19235 7094 1 10 . 1 1 88 88 LEU N N 88 126.610 126.610 129.010 -2.400 19235 7095 1 10 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.079 0.371 19235 7096 1 10 . 1 1 88 88 LEU C C 88 178.015 178.015 177.020 0.995 19235 7097 1 10 . 1 1 88 88 LEU CA C 88 54.286 54.286 54.193 0.093 19235 7098 1 10 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.205 -1.240 19235 7099 1 10 . 1 1 88 88 LEU H H 88 9.315 9.315 8.729 0.586 19235 7100 1 10 . 1 1 89 89 GLU N N 89 123.568 123.568 124.108 -0.540 19235 7101 1 10 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.759 0.033 19235 7102 1 10 . 1 1 89 89 GLU C C 89 176.006 176.006 175.639 0.367 19235 7103 1 10 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.861 0.598 19235 7104 1 10 . 1 1 89 89 GLU CB C 89 32.625 32.625 33.140 -0.515 19235 7105 1 10 . 1 1 89 89 GLU H H 89 8.862 8.862 9.252 -0.390 19235 7106 1 10 . 1 1 90 90 THR N N 90 124.266 124.266 121.775 2.491 19235 7107 1 10 . 1 1 90 90 THR HA H 90 4.828 4.828 4.240 0.588 19235 7108 1 10 . 1 1 90 90 THR C C 90 175.572 175.572 174.410 1.162 19235 7109 1 10 . 1 1 90 90 THR CA C 90 63.397 63.397 64.261 -0.864 19235 7110 1 10 . 1 1 90 90 THR CB C 90 69.628 69.628 69.011 0.617 19235 7111 1 10 . 1 1 90 90 THR H H 90 9.120 9.120 8.580 0.540 19235 7112 1 10 . 1 1 91 91 VAL N N 91 125.506 125.506 123.699 1.807 19235 7113 1 10 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.647 -0.150 19235 7114 1 10 . 1 1 91 91 VAL C C 91 176.665 176.665 176.912 -0.247 19235 7115 1 10 . 1 1 91 91 VAL CA C 91 61.191 61.191 58.882 2.309 19235 7116 1 10 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.617 -0.115 19235 7117 1 10 . 1 1 91 91 VAL H H 91 8.729 8.729 8.430 0.299 19235 7118 1 10 . 1 1 92 92 GLU C C 92 177.778 177.778 176.469 1.309 19235 7119 1 10 . 1 1 93 93 ASN N N 93 115.899 115.899 115.078 0.821 19235 7120 1 10 . 1 1 93 93 ASN C C 93 174.644 174.644 173.697 0.947 19235 7121 1 10 . 1 1 93 93 ASN H H 93 8.372 8.372 8.371 0.001 19235 7122 1 10 . 1 1 94 94 GLN N N 94 114.412 114.412 116.489 -2.077 19235 7123 1 10 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.679 -0.061 19235 7124 1 10 . 1 1 94 94 GLN C C 94 173.810 173.810 173.929 -0.119 19235 7125 1 10 . 1 1 94 94 GLN CA C 94 54.663 54.663 55.242 -0.579 19235 7126 1 10 . 1 1 94 94 GLN CB C 94 29.779 29.779 30.388 -0.609 19235 7127 1 10 . 1 1 94 94 GLN H H 94 7.505 7.505 7.489 0.016 19235 7128 1 10 . 1 1 95 95 THR N N 95 117.223 117.223 116.221 1.002 19235 7129 1 10 . 1 1 95 95 THR HA H 95 4.889 4.889 4.764 0.125 19235 7130 1 10 . 1 1 95 95 THR C C 95 175.599 175.599 173.061 2.538 19235 7131 1 10 . 1 1 95 95 THR CA C 95 61.633 61.633 62.517 -0.884 19235 7132 1 10 . 1 1 95 95 THR CB C 95 70.071 70.071 70.590 -0.519 19235 7133 1 10 . 1 1 95 95 THR H H 95 8.975 8.975 8.364 0.611 19235 7134 1 10 . 1 1 96 96 PHE N N 96 125.360 125.360 129.278 -3.918 19235 7135 1 10 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.751 -0.019 19235 7136 1 10 . 1 1 96 96 PHE C C 96 176.859 176.859 173.496 3.363 19235 7137 1 10 . 1 1 96 96 PHE CA C 96 58.180 58.180 56.957 1.223 19235 7138 1 10 . 1 1 96 96 PHE CB C 96 40.094 40.094 41.341 -1.247 19235 7139 1 10 . 1 1 96 96 PHE H H 96 9.499 9.499 9.314 0.185 19235 7140 1 10 . 1 1 97 97 VAL N N 97 122.027 122.027 128.402 -6.375 19235 7141 1 10 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.517 0.000 19235 7142 1 10 . 1 1 97 97 VAL C C 97 175.876 175.876 174.130 1.746 19235 7143 1 10 . 1 1 97 97 VAL CA C 97 61.363 61.363 60.936 0.427 19235 7144 1 10 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.906 -0.526 19235 7145 1 10 . 1 1 97 97 VAL H H 97 9.394 9.394 8.661 0.733 19235 7146 1 10 . 1 1 98 98 ARG N N 98 126.680 126.680 128.576 -1.896 19235 7147 1 10 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.659 -0.468 19235 7148 1 10 . 1 1 98 98 ARG C C 98 176.185 176.185 174.000 2.185 19235 7149 1 10 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.842 -0.041 19235 7150 1 10 . 1 1 98 98 ARG CB C 98 29.500 29.500 32.683 -3.183 19235 7151 1 10 . 1 1 98 98 ARG H H 98 9.245 9.245 9.092 0.153 19235 7152 1 10 . 1 1 99 99 PHE N N 99 131.125 131.125 129.600 1.525 19235 7153 1 10 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.305 -0.433 19235 7154 1 10 . 1 1 99 99 PHE C C 99 174.793 174.793 173.647 1.146 19235 7155 1 10 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.795 -0.068 19235 7156 1 10 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.781 -0.210 19235 7157 1 10 . 1 1 99 99 PHE H H 99 8.723 8.723 9.363 -0.640 19235 7158 1 10 . 1 1 100 100 THR N N 100 124.512 124.512 125.068 -0.556 19235 7159 1 10 . 1 1 100 100 THR HA H 100 5.062 5.062 4.898 0.164 19235 7160 1 10 . 1 1 100 100 THR C C 100 173.105 173.105 171.782 1.323 19235 7161 1 10 . 1 1 100 100 THR CA C 100 59.971 59.971 60.781 -0.810 19235 7162 1 10 . 1 1 100 100 THR CB C 100 71.127 71.127 70.772 0.355 19235 7163 1 10 . 1 1 100 100 THR H H 100 8.020 8.020 8.050 -0.030 19235 7164 1 10 . 1 1 101 101 HIS N N 101 127.719 127.719 127.300 0.419 19235 7165 1 10 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.358 -0.315 19235 7166 1 10 . 1 1 101 101 HIS C C 101 176.440 176.440 174.190 2.250 19235 7167 1 10 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.376 -0.471 19235 7168 1 10 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.087 0.248 19235 7169 1 10 . 1 1 101 101 HIS H H 101 8.714 8.714 8.935 -0.221 19235 7170 1 10 . 1 1 102 102 SER N N 102 121.048 121.048 122.905 -1.857 19235 7171 1 10 . 1 1 102 102 SER HA H 102 5.023 5.023 5.075 -0.052 19235 7172 1 10 . 1 1 102 102 SER C C 102 175.564 175.564 173.941 1.623 19235 7173 1 10 . 1 1 102 102 SER CA C 102 57.264 57.264 56.578 0.686 19235 7174 1 10 . 1 1 102 102 SER CB C 102 66.564 66.564 66.014 0.550 19235 7175 1 10 . 1 1 102 102 SER H H 102 9.804 9.804 9.205 0.599 19235 7176 1 10 . 1 1 103 103 ASN N N 103 110.931 110.931 115.711 -4.780 19235 7177 1 10 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.358 0.034 19235 7178 1 10 . 1 1 103 103 ASN C C 103 176.631 176.631 174.162 2.469 19235 7179 1 10 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.299 0.087 19235 7180 1 10 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.643 -0.110 19235 7181 1 10 . 1 1 103 103 ASN H H 103 8.304 8.304 8.673 -0.369 19235 7182 1 10 . 1 1 104 104 TRP N N 104 119.944 119.944 119.006 0.938 19235 7183 1 10 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.659 -0.377 19235 7184 1 10 . 1 1 104 104 TRP C C 104 179.325 179.325 177.216 2.109 19235 7185 1 10 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.913 1.403 19235 7186 1 10 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.003 -2.280 19235 7187 1 10 . 1 1 104 104 TRP H H 104 8.669 8.669 8.462 0.207 19235 7188 1 10 . 1 1 105 105 HIS N N 105 121.315 121.315 121.940 -0.625 19235 7189 1 10 . 1 1 105 105 HIS HA H 105 4.466 4.466 3.950 0.516 19235 7190 1 10 . 1 1 105 105 HIS C C 105 176.866 176.866 175.194 1.672 19235 7191 1 10 . 1 1 105 105 HIS CA C 105 59.426 59.426 59.010 0.416 19235 7192 1 10 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.226 0.792 19235 7193 1 10 . 1 1 105 105 HIS H H 105 8.919 8.919 8.831 0.088 19235 7194 1 10 . 1 1 106 106 GLU N N 106 112.392 112.392 114.214 -1.822 19235 7195 1 10 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.609 -0.080 19235 7196 1 10 . 1 1 106 106 GLU C C 106 175.482 175.482 175.418 0.064 19235 7197 1 10 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.498 -1.152 19235 7198 1 10 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.771 0.545 19235 7199 1 10 . 1 1 106 106 GLU H H 106 7.800 7.800 7.963 -0.163 19235 7200 1 10 . 1 1 107 107 THR N N 107 117.872 117.872 113.160 4.712 19235 7201 1 10 . 1 1 107 107 THR HA H 107 4.261 4.261 4.373 -0.112 19235 7202 1 10 . 1 1 107 107 THR C C 107 175.517 175.517 174.275 1.242 19235 7203 1 10 . 1 1 107 107 THR CA C 107 63.456 63.456 62.567 0.889 19235 7204 1 10 . 1 1 107 107 THR CB C 107 68.072 68.072 67.947 0.125 19235 7205 1 10 . 1 1 107 107 THR H H 107 8.668 8.668 8.472 0.196 19235 7206 1 10 . 1 1 108 108 THR N N 108 116.177 116.177 117.617 -1.440 19235 7207 1 10 . 1 1 108 108 THR HA H 108 4.720 4.720 4.644 0.076 19235 7208 1 10 . 1 1 108 108 THR C C 108 176.376 176.376 174.618 1.758 19235 7209 1 10 . 1 1 108 108 THR CA C 108 59.356 59.356 58.963 0.393 19235 7210 1 10 . 1 1 108 108 THR CB C 108 73.275 73.275 70.377 2.898 19235 7211 1 10 . 1 1 108 108 THR H H 108 6.802 6.802 7.945 -1.143 19235 7212 1 10 . 1 1 109 109 ASP C C 109 179.100 179.100 178.293 0.807 19235 7213 1 10 . 1 1 109 109 ASP CA C 109 57.460 57.460 57.270 0.190 19235 7214 1 10 . 1 1 109 109 ASP CB C 109 40.168 40.168 39.865 0.303 19235 7215 1 10 . 1 1 110 110 PHE N N 110 119.151 119.151 117.551 1.600 19235 7216 1 10 . 1 1 110 110 PHE HA H 110 4.551 4.551 3.992 0.559 19235 7217 1 10 . 1 1 110 110 PHE C C 110 179.054 179.054 177.733 1.321 19235 7218 1 10 . 1 1 110 110 PHE CA C 110 60.711 60.711 61.474 -0.763 19235 7219 1 10 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.514 -0.087 19235 7220 1 10 . 1 1 110 110 PHE H H 110 8.463 8.463 7.887 0.576 19235 7221 1 10 . 1 1 111 111 MET N N 111 122.801 122.801 119.182 3.619 19235 7222 1 10 . 1 1 111 111 MET HA H 111 3.061 3.061 3.329 -0.268 19235 7223 1 10 . 1 1 111 111 MET C C 111 178.661 178.661 177.873 0.788 19235 7224 1 10 . 1 1 111 111 MET CA C 111 59.888 59.888 57.710 2.178 19235 7225 1 10 . 1 1 111 111 MET CB C 111 31.587 31.587 31.686 -0.099 19235 7226 1 10 . 1 1 111 111 MET H H 111 8.261 8.261 7.770 0.491 19235 7227 1 10 . 1 1 112 112 ALA N N 112 121.236 121.236 120.930 0.306 19235 7228 1 10 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.901 -0.064 19235 7229 1 10 . 1 1 112 112 ALA C C 112 179.201 179.201 179.558 -0.357 19235 7230 1 10 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.972 -0.183 19235 7231 1 10 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.915 0.248 19235 7232 1 10 . 1 1 112 112 ALA H H 112 7.744 7.744 7.767 -0.023 19235 7233 1 10 . 1 1 113 113 HIS N N 113 116.411 116.411 117.546 -1.135 19235 7234 1 10 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.171 0.162 19235 7235 1 10 . 1 1 113 113 HIS C C 113 178.145 178.145 177.940 0.205 19235 7236 1 10 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.568 1.633 19235 7237 1 10 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.857 -0.016 19235 7238 1 10 . 1 1 113 113 HIS H H 113 8.275 8.275 7.889 0.386 19235 7239 1 10 . 1 1 114 114 CYS N N 114 114.740 114.740 117.619 -2.879 19235 7240 1 10 . 1 1 114 114 CYS HA H 114 3.961 3.961 4.190 -0.229 19235 7241 1 10 . 1 1 114 114 CYS C C 114 177.431 177.431 176.774 0.657 19235 7242 1 10 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.815 -0.324 19235 7243 1 10 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.676 -0.068 19235 7244 1 10 . 1 1 114 114 CYS H H 114 8.456 8.456 8.159 0.297 19235 7245 1 10 . 1 1 115 115 ASN N N 115 120.985 120.985 119.255 1.730 19235 7246 1 10 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.537 0.172 19235 7247 1 10 . 1 1 115 115 ASN C C 115 179.521 179.521 177.531 1.990 19235 7248 1 10 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.552 1.534 19235 7249 1 10 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.323 0.596 19235 7250 1 10 . 1 1 115 115 ASN H H 115 8.983 8.983 8.344 0.639 19235 7251 1 10 . 1 1 116 116 THR N N 116 119.651 119.651 117.540 2.111 19235 7252 1 10 . 1 1 116 116 THR HA H 116 4.227 4.227 3.875 0.352 19235 7253 1 10 . 1 1 116 116 THR C C 116 177.405 177.405 176.167 1.238 19235 7254 1 10 . 1 1 116 116 THR CA C 116 67.150 67.150 67.075 0.075 19235 7255 1 10 . 1 1 116 116 THR CB C 116 68.365 68.365 68.767 -0.402 19235 7256 1 10 . 1 1 116 116 THR H H 116 8.704 8.704 7.959 0.745 19235 7257 1 10 . 1 1 117 117 LYS N N 117 121.343 121.343 121.796 -0.453 19235 7258 1 10 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.467 0.813 19235 7259 1 10 . 1 1 117 117 LYS C C 117 180.250 180.250 178.337 1.913 19235 7260 1 10 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.271 -2.169 19235 7261 1 10 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.913 -1.427 19235 7262 1 10 . 1 1 117 117 LYS H H 117 9.148 9.148 7.835 1.313 19235 7263 1 10 . 1 1 118 118 TRP N N 118 117.603 117.603 119.423 -1.820 19235 7264 1 10 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.260 0.620 19235 7265 1 10 . 1 1 118 118 TRP C C 118 180.118 180.118 177.985 2.133 19235 7266 1 10 . 1 1 118 118 TRP CA C 118 59.768 59.768 60.195 -0.427 19235 7267 1 10 . 1 1 118 118 TRP CB C 118 30.516 30.516 29.291 1.225 19235 7268 1 10 . 1 1 118 118 TRP H H 118 9.212 9.212 8.370 0.842 19235 7269 1 10 . 1 1 119 119 ALA N N 119 117.358 117.358 122.471 -5.113 19235 7270 1 10 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.434 -0.011 19235 7271 1 10 . 1 1 119 119 ALA C C 119 179.726 179.726 179.289 0.437 19235 7272 1 10 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.922 0.603 19235 7273 1 10 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.835 0.555 19235 7274 1 10 . 1 1 119 119 ALA H H 119 7.132 7.132 7.534 -0.402 19235 7275 1 10 . 1 1 120 120 VAL N N 120 112.004 112.004 118.707 -6.703 19235 7276 1 10 . 1 1 120 120 VAL H H 120 7.188 7.188 7.503 -0.315 19235 7277 1 10 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.211 0.854 19235 7278 1 10 . 1 1 121 121 PHE C C 121 178.810 178.810 178.593 0.217 19235 7279 1 10 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.803 1.863 19235 7280 1 10 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.422 0.381 19235 7281 1 10 . 1 1 122 122 LEU N N 122 121.854 121.854 119.406 2.448 19235 7282 1 10 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.954 0.046 19235 7283 1 10 . 1 1 122 122 LEU C C 122 180.149 180.149 178.989 1.160 19235 7284 1 10 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.939 -0.360 19235 7285 1 10 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.757 -2.083 19235 7286 1 10 . 1 1 122 122 LEU H H 122 8.598 8.598 8.228 0.370 19235 7287 1 10 . 1 1 123 123 LEU N N 123 120.284 120.284 119.185 1.099 19235 7288 1 10 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.840 0.170 19235 7289 1 10 . 1 1 123 123 LEU C C 123 179.701 179.701 178.897 0.804 19235 7290 1 10 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.375 -0.484 19235 7291 1 10 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.279 -1.046 19235 7292 1 10 . 1 1 123 123 LEU H H 123 8.154 8.154 8.175 -0.021 19235 7293 1 10 . 1 1 124 124 SER N N 124 113.478 113.478 115.037 -1.559 19235 7294 1 10 . 1 1 124 124 SER HA H 124 4.586 4.586 4.197 0.389 19235 7295 1 10 . 1 1 124 124 SER C C 124 177.749 177.749 176.710 1.039 19235 7296 1 10 . 1 1 124 124 SER CA C 124 60.660 60.660 61.531 -0.871 19235 7297 1 10 . 1 1 124 124 SER CB C 124 62.601 62.601 63.351 -0.750 19235 7298 1 10 . 1 1 124 124 SER H H 124 7.537 7.537 8.171 -0.634 19235 7299 1 10 . 1 1 125 125 LEU N N 125 120.955 120.955 122.550 -1.595 19235 7300 1 10 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.406 0.260 19235 7301 1 10 . 1 1 125 125 LEU C C 125 177.940 177.940 177.701 0.239 19235 7302 1 10 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.284 1.238 19235 7303 1 10 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.020 -1.297 19235 7304 1 10 . 1 1 125 125 LEU H H 125 8.021 8.021 8.093 -0.072 19235 7305 1 10 . 1 1 126 126 LYS N N 126 118.428 118.428 119.423 -0.995 19235 7306 1 10 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.884 0.687 19235 7307 1 10 . 1 1 126 126 LYS C C 126 178.885 178.885 178.572 0.313 19235 7308 1 10 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.855 0.312 19235 7309 1 10 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.111 0.985 19235 7310 1 10 . 1 1 126 126 LYS H H 126 7.899 7.899 7.978 -0.079 19235 7311 1 10 . 1 1 127 127 ASP N N 127 119.536 119.536 119.836 -0.300 19235 7312 1 10 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.453 0.080 19235 7313 1 10 . 1 1 127 127 ASP C C 127 180.864 180.864 178.546 2.318 19235 7314 1 10 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.199 0.547 19235 7315 1 10 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.366 -0.530 19235 7316 1 10 . 1 1 127 127 ASP H H 127 8.620 8.620 7.998 0.622 19235 7317 1 10 . 1 1 128 128 ALA N N 128 123.280 123.280 122.413 0.867 19235 7318 1 10 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.061 -0.334 19235 7319 1 10 . 1 1 128 128 ALA C C 128 181.336 181.336 179.623 1.713 19235 7320 1 10 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.253 0.267 19235 7321 1 10 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.707 -1.559 19235 7322 1 10 . 1 1 128 128 ALA H H 128 9.439 9.439 8.055 1.384 19235 7323 1 10 . 1 1 129 129 LEU N N 129 115.298 115.298 117.752 -2.454 19235 7324 1 10 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.023 0.182 19235 7325 1 10 . 1 1 129 129 LEU C C 129 179.484 179.484 178.599 0.885 19235 7326 1 10 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.308 -1.656 19235 7327 1 10 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.921 -0.402 19235 7328 1 10 . 1 1 129 129 LEU H H 129 7.664 7.664 7.547 0.117 19235 7329 1 10 . 1 1 130 130 GLU N N 130 117.821 117.821 118.594 -0.773 19235 7330 1 10 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.092 0.206 19235 7331 1 10 . 1 1 130 130 GLU C C 130 179.567 179.567 177.998 1.569 19235 7332 1 10 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.729 0.155 19235 7333 1 10 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.413 0.388 19235 7334 1 10 . 1 1 130 130 GLU H H 130 8.605 8.605 7.946 0.659 19235 7335 1 10 . 1 1 131 131 ILE N N 131 112.140 112.140 116.118 -3.978 19235 7336 1 10 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.261 0.453 19235 7337 1 10 . 1 1 131 131 ILE C C 131 178.233 178.233 177.631 0.602 19235 7338 1 10 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.718 -0.725 19235 7339 1 10 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.835 -0.259 19235 7340 1 10 . 1 1 131 131 ILE H H 131 8.552 8.552 7.953 0.599 19235 7341 1 10 . 1 1 132 132 GLY N N 132 108.998 108.998 108.023 0.975 19235 7342 1 10 . 1 1 132 132 GLY C C 132 174.957 174.957 174.995 -0.038 19235 7343 1 10 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.565 0.514 19235 7344 1 10 . 1 1 132 132 GLY H H 132 7.269 7.269 8.501 -1.232 19235 7345 1 10 . 1 1 133 133 LYS N N 133 120.920 120.920 119.831 1.089 19235 7346 1 10 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.494 0.158 19235 7347 1 10 . 1 1 133 133 LYS C C 133 175.857 175.857 177.535 -1.678 19235 7348 1 10 . 1 1 133 133 LYS CA C 133 55.761 55.761 55.399 0.362 19235 7349 1 10 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.883 1.082 19235 7350 1 10 . 1 1 133 133 LYS H H 133 7.024 7.024 8.263 -1.239 19235 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 124 3.289 0.913 3.172 19235 2 1 1 "Average Difference" HA 136 0.416 -0.075 0.411 19235 3 1 1 "Average Difference" C 128 1.609 -1.094 1.184 19235 4 1 1 "Average Difference" CA 126 1.188 -0.025 1.193 19235 5 1 1 "Average Difference" CB 117 1.471 0.153 1.469 19235 6 1 1 "Average Difference" HN 124 0.649 -0.030 0.651 19235 7 1 2 "Average Difference" N 124 2.704 0.843 2.580 19235 8 1 2 "Average Difference" HA 136 0.402 -0.084 0.395 19235 9 1 2 "Average Difference" C 128 1.591 -1.089 1.164 19235 10 1 2 "Average Difference" CA 126 1.201 -0.105 1.201 19235 11 1 2 "Average Difference" CB 117 1.472 0.046 1.477 19235 12 1 2 "Average Difference" HN 124 0.689 -0.071 0.688 19235 13 1 3 "Average Difference" N 124 2.799 0.776 2.700 19235 14 1 3 "Average Difference" HA 136 0.423 -0.078 0.417 19235 15 1 3 "Average Difference" C 128 1.573 -1.118 1.111 19235 16 1 3 "Average Difference" CA 126 1.216 -0.203 1.203 19235 17 1 3 "Average Difference" CB 117 1.443 0.029 1.448 19235 18 1 3 "Average Difference" HN 124 0.604 -0.067 0.602 19235 19 1 4 "Average Difference" N 124 2.798 1.036 2.609 19235 20 1 4 "Average Difference" HA 136 0.392 -0.053 0.390 19235 21 1 4 "Average Difference" C 128 1.679 -1.199 1.180 19235 22 1 4 "Average Difference" CA 126 1.233 -0.160 1.227 19235 23 1 4 "Average Difference" CB 117 1.497 0.110 1.500 19235 24 1 4 "Average Difference" HN 124 0.633 -0.063 0.632 19235 25 1 5 "Average Difference" N 124 2.770 0.818 2.657 19235 26 1 5 "Average Difference" HA 136 0.396 -0.080 0.389 19235 27 1 5 "Average Difference" C 128 1.576 -1.073 1.159 19235 28 1 5 "Average Difference" CA 126 1.175 -0.129 1.173 19235 29 1 5 "Average Difference" CB 117 1.439 0.020 1.445 19235 30 1 5 "Average Difference" HN 124 0.641 -0.070 0.639 19235 31 1 6 "Average Difference" N 124 2.718 0.814 2.604 19235 32 1 6 "Average Difference" HA 136 0.401 -0.080 0.394 19235 33 1 6 "Average Difference" C 128 1.600 -1.089 1.177 19235 34 1 6 "Average Difference" CA 126 1.200 -0.122 1.199 19235 35 1 6 "Average Difference" CB 117 1.477 0.036 1.483 19235 36 1 6 "Average Difference" HN 124 0.682 -0.090 0.679 19235 37 1 7 "Average Difference" N 124 2.770 0.805 2.661 19235 38 1 7 "Average Difference" HA 136 0.405 -0.084 0.397 19235 39 1 7 "Average Difference" C 128 1.605 -1.102 1.171 19235 40 1 7 "Average Difference" CA 126 1.174 -0.120 1.173 19235 41 1 7 "Average Difference" CB 117 1.447 0.064 1.451 19235 42 1 7 "Average Difference" HN 124 0.672 -0.083 0.670 19235 43 1 8 "Average Difference" N 124 2.737 0.736 2.647 19235 44 1 8 "Average Difference" HA 136 0.398 -0.082 0.391 19235 45 1 8 "Average Difference" C 128 1.574 -1.069 1.161 19235 46 1 8 "Average Difference" CA 126 1.199 -0.100 1.200 19235 47 1 8 "Average Difference" CB 117 1.481 0.023 1.487 19235 48 1 8 "Average Difference" HN 124 0.692 -0.093 0.689 19235 49 1 9 "Average Difference" N 124 2.763 0.874 2.632 19235 50 1 9 "Average Difference" HA 136 0.405 -0.096 0.395 19235 51 1 9 "Average Difference" C 128 1.590 -1.093 1.159 19235 52 1 9 "Average Difference" CA 126 1.177 -0.122 1.176 19235 53 1 9 "Average Difference" CB 117 1.438 0.062 1.443 19235 54 1 9 "Average Difference" HN 124 0.664 -0.069 0.663 19235 55 1 10 "Average Difference" N 124 2.692 0.980 2.517 19235 56 1 10 "Average Difference" HA 136 0.386 -0.072 0.381 19235 57 1 10 "Average Difference" C 128 1.632 -1.142 1.170 19235 58 1 10 "Average Difference" CA 126 1.188 -0.112 1.187 19235 59 1 10 "Average Difference" CB 117 1.446 0.104 1.448 19235 60 1 10 "Average Difference" HN 124 0.655 -0.045 0.656 19235 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 19235 _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 VAL N N 2 117.791 117.791 122.503 -4.712 19235 2 1 . 1 1 2 2 VAL HA H 2 4.446 4.446 4.428 0.018 19235 3 1 . 1 1 2 2 VAL C C 2 174.276 174.276 174.272 0.004 19235 4 1 . 1 1 2 2 VAL CA C 2 60.702 60.702 61.910 -1.208 19235 5 1 . 1 1 2 2 VAL CB C 2 35.163 35.163 33.061 2.102 19235 6 1 . 1 1 2 2 VAL H H 2 8.851 8.851 8.713 0.139 19235 7 1 . 1 1 3 3 ASN N N 3 117.814 117.814 122.286 -4.472 19235 8 1 . 1 1 3 3 ASN HA H 3 5.451 5.451 5.506 -0.055 19235 9 1 . 1 1 3 3 ASN C C 3 175.197 175.197 174.226 0.971 19235 10 1 . 1 1 3 3 ASN CA C 3 51.458 51.458 51.892 -0.434 19235 11 1 . 1 1 3 3 ASN CB C 3 41.180 41.180 41.953 -0.773 19235 12 1 . 1 1 3 3 ASN H H 3 8.262 8.262 8.495 -0.233 19235 13 1 . 1 1 4 4 ILE N N 4 121.231 121.231 120.541 0.691 19235 14 1 . 1 1 4 4 ILE HA H 4 3.962 3.962 4.316 -0.354 19235 15 1 . 1 1 4 4 ILE C C 4 175.278 175.278 174.600 0.678 19235 16 1 . 1 1 4 4 ILE CA C 4 61.011 61.011 60.552 0.459 19235 17 1 . 1 1 4 4 ILE CB C 4 40.337 40.337 40.218 0.119 19235 18 1 . 1 1 4 4 ILE H H 4 8.533 8.533 8.933 -0.400 19235 19 1 . 1 1 5 5 ASN N N 5 125.228 125.228 126.561 -1.333 19235 20 1 . 1 1 5 5 ASN HA H 5 5.566 5.566 5.406 0.160 19235 21 1 . 1 1 5 5 ASN C C 5 174.061 174.061 174.079 -0.018 19235 22 1 . 1 1 5 5 ASN CA C 5 52.660 52.660 52.187 0.473 19235 23 1 . 1 1 5 5 ASN CB C 5 41.661 41.661 40.252 1.409 19235 24 1 . 1 1 5 5 ASN H H 5 8.109 8.109 8.785 -0.676 19235 25 1 . 1 1 6 6 HIS N N 6 120.724 120.724 124.486 -3.762 19235 26 1 . 1 1 6 6 HIS HA H 6 5.285 5.285 4.983 0.302 19235 27 1 . 1 1 6 6 HIS C C 6 177.102 177.102 173.117 3.985 19235 28 1 . 1 1 6 6 HIS CA C 6 55.626 55.626 55.422 0.204 19235 29 1 . 1 1 6 6 HIS CB C 6 38.564 38.564 33.498 5.066 19235 30 1 . 1 1 6 6 HIS H H 6 9.450 9.450 9.076 0.374 19235 31 1 . 1 1 7 7 ARG N N 7 124.674 124.674 123.075 1.599 19235 32 1 . 1 1 7 7 ARG HA H 7 4.839 4.839 5.385 -0.545 19235 33 1 . 1 1 7 7 ARG C C 7 174.633 174.633 174.634 -0.001 19235 34 1 . 1 1 7 7 ARG CA C 7 56.600 56.600 54.821 1.779 19235 35 1 . 1 1 7 7 ARG CB C 7 33.582 33.582 33.513 0.069 19235 36 1 . 1 1 7 7 ARG H H 7 8.973 8.973 8.275 0.698 19235 37 1 . 1 1 8 8 ILE N N 8 120.886 120.886 122.917 -2.031 19235 38 1 . 1 1 8 8 ILE H H 8 8.405 8.405 8.756 -0.351 19235 39 1 . 1 1 10 10 ILE N N 10 120.117 120.117 123.076 -2.959 19235 40 1 . 1 1 10 10 ILE HA H 10 3.683 3.683 4.466 -0.783 19235 41 1 . 1 1 10 10 ILE C C 10 177.081 177.081 175.308 1.773 19235 42 1 . 1 1 10 10 ILE CA C 10 59.803 59.803 60.195 -0.391 19235 43 1 . 1 1 10 10 ILE CB C 10 40.775 40.775 41.917 -1.142 19235 44 1 . 1 1 10 10 ILE H H 10 8.604 8.604 8.886 -0.282 19235 45 1 . 1 1 11 11 LYS N N 11 133.535 133.535 127.665 5.870 19235 46 1 . 1 1 11 11 LYS HA H 11 4.491 4.491 4.284 0.207 19235 47 1 . 1 1 11 11 LYS C C 11 174.943 174.943 174.976 -0.033 19235 48 1 . 1 1 11 11 LYS CA C 11 55.104 55.104 56.433 -1.329 19235 49 1 . 1 1 11 11 LYS CB C 11 29.081 29.081 30.613 -1.531 19235 50 1 . 1 1 11 11 LYS H H 11 10.550 10.550 8.933 1.617 19235 51 1 . 1 1 12 12 ALA N N 12 123.135 123.135 122.744 0.391 19235 52 1 . 1 1 12 12 ALA HA H 12 4.521 4.521 4.659 -0.138 19235 53 1 . 1 1 12 12 ALA C C 12 176.178 176.178 175.208 0.970 19235 54 1 . 1 1 12 12 ALA CA C 12 50.764 50.764 51.409 -0.645 19235 55 1 . 1 1 12 12 ALA CB C 12 22.027 22.027 22.036 -0.009 19235 56 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.130 -0.197 19235 57 1 . 1 1 13 13 SER N N 13 116.710 116.710 115.216 1.494 19235 58 1 . 1 1 13 13 SER HA H 13 4.588 4.588 4.728 -0.140 19235 59 1 . 1 1 13 13 SER C C 13 174.197 174.197 174.511 -0.314 19235 60 1 . 1 1 13 13 SER CA C 13 56.147 56.147 56.046 0.101 19235 61 1 . 1 1 13 13 SER CB C 13 62.656 62.656 63.576 -0.920 19235 62 1 . 1 1 13 13 SER H H 13 8.492 8.492 8.518 -0.026 19235 63 1 . 1 1 14 14 PRO HA H 14 4.052 4.052 4.281 -0.229 19235 64 1 . 1 1 14 14 PRO C C 14 178.833 178.833 178.439 0.394 19235 65 1 . 1 1 14 14 PRO CA C 14 65.547 65.547 65.177 0.370 19235 66 1 . 1 1 14 14 PRO CB C 14 31.309 31.309 31.850 -0.540 19235 67 1 . 1 1 15 15 GLU N N 15 116.821 116.821 119.511 -2.690 19235 68 1 . 1 1 15 15 GLU HA H 15 4.268 4.268 4.415 -0.147 19235 69 1 . 1 1 15 15 GLU C C 15 180.574 180.574 178.868 1.707 19235 70 1 . 1 1 15 15 GLU CA C 15 59.665 59.665 59.533 0.132 19235 71 1 . 1 1 15 15 GLU CB C 15 28.604 28.604 29.115 -0.511 19235 72 1 . 1 1 15 15 GLU H H 15 8.821 8.821 8.526 0.295 19235 73 1 . 1 1 16 16 LYS N N 16 120.446 120.446 119.836 0.610 19235 74 1 . 1 1 16 16 LYS HA H 16 4.031 4.031 4.140 -0.109 19235 75 1 . 1 1 16 16 LYS C C 16 181.277 181.277 179.294 1.983 19235 76 1 . 1 1 16 16 LYS CA C 16 58.732 58.732 59.565 -0.833 19235 77 1 . 1 1 16 16 LYS CB C 16 31.917 31.917 32.607 -0.690 19235 78 1 . 1 1 16 16 LYS H H 16 7.634 7.634 7.908 -0.274 19235 79 1 . 1 1 17 17 ILE N N 17 120.100 120.100 120.022 0.078 19235 80 1 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.678 -0.248 19235 81 1 . 1 1 17 17 ILE C C 17 177.873 177.873 177.728 0.145 19235 82 1 . 1 1 17 17 ILE CA C 17 65.049 65.049 65.182 -0.133 19235 83 1 . 1 1 17 17 ILE CB C 17 37.569 37.569 38.128 -0.559 19235 84 1 . 1 1 17 17 ILE H H 17 7.797 7.797 7.928 -0.131 19235 85 1 . 1 1 18 18 TYR N N 18 119.139 119.139 120.002 -0.863 19235 86 1 . 1 1 18 18 TYR HA H 18 3.763 3.763 3.954 -0.191 19235 87 1 . 1 1 18 18 TYR C C 18 181.847 181.847 178.228 3.619 19235 88 1 . 1 1 18 18 TYR CA C 18 62.676 62.676 62.041 0.635 19235 89 1 . 1 1 18 18 TYR CB C 18 39.206 39.206 38.431 0.775 19235 90 1 . 1 1 18 18 TYR H H 18 9.072 9.072 8.078 0.994 19235 91 1 . 1 1 19 19 GLN N N 19 120.579 120.579 118.536 2.043 19235 92 1 . 1 1 19 19 GLN HA H 19 3.875 3.875 3.902 -0.027 19235 93 1 . 1 1 19 19 GLN C C 19 178.871 178.871 178.447 0.424 19235 94 1 . 1 1 19 19 GLN CA C 19 59.607 59.607 58.604 1.003 19235 95 1 . 1 1 19 19 GLN CB C 19 28.182 28.182 28.902 -0.720 19235 96 1 . 1 1 19 19 GLN H H 19 8.330 8.330 8.357 -0.026 19235 97 1 . 1 1 20 20 ALA N N 20 121.903 121.903 121.028 0.876 19235 98 1 . 1 1 20 20 ALA HA H 20 4.126 4.126 4.218 -0.092 19235 99 1 . 1 1 20 20 ALA C C 20 177.058 177.058 178.707 -1.649 19235 100 1 . 1 1 20 20 ALA CA C 20 54.070 54.070 54.868 -0.798 19235 101 1 . 1 1 20 20 ALA CB C 20 17.938 17.938 18.741 -0.803 19235 102 1 . 1 1 20 20 ALA H H 20 7.451 7.451 7.923 -0.472 19235 103 1 . 1 1 21 21 LEU N N 21 112.471 112.471 113.594 -1.123 19235 104 1 . 1 1 21 21 LEU HA H 21 3.821 3.821 4.427 -0.606 19235 105 1 . 1 1 21 21 LEU C C 21 178.910 178.910 177.462 1.448 19235 106 1 . 1 1 21 21 LEU CA C 21 54.502 54.502 55.383 -0.880 19235 107 1 . 1 1 21 21 LEU CB C 21 44.211 44.211 42.222 1.989 19235 108 1 . 1 1 21 21 LEU H H 21 7.061 7.061 7.386 -0.325 19235 109 1 . 1 1 22 22 THR N N 22 100.722 100.722 107.033 -6.311 19235 110 1 . 1 1 22 22 THR HA H 22 4.558 4.558 4.431 0.127 19235 111 1 . 1 1 22 22 THR C C 22 175.792 175.792 174.782 1.010 19235 112 1 . 1 1 22 22 THR CA C 22 61.081 61.081 61.301 -0.220 19235 113 1 . 1 1 22 22 THR CB C 22 71.747 71.747 70.224 1.523 19235 114 1 . 1 1 22 22 THR H H 22 7.069 7.069 7.464 -0.395 19235 115 1 . 1 1 23 23 THR N N 23 109.777 109.777 116.526 -6.749 19235 116 1 . 1 1 23 23 THR HA H 23 4.893 4.893 4.562 0.331 19235 117 1 . 1 1 23 23 THR C C 23 174.449 174.449 174.101 0.348 19235 118 1 . 1 1 23 23 THR CA C 23 58.343 58.343 60.449 -2.106 19235 119 1 . 1 1 23 23 THR CB C 23 72.836 72.836 71.867 0.969 19235 120 1 . 1 1 23 23 THR H H 23 7.308 7.308 7.630 -0.322 19235 121 1 . 1 1 24 24 ASP N N 24 126.109 126.109 125.229 0.880 19235 122 1 . 1 1 24 24 ASP HA H 24 4.236 4.236 4.237 -0.001 19235 123 1 . 1 1 24 24 ASP C C 24 179.062 179.062 177.549 1.513 19235 124 1 . 1 1 24 24 ASP CA C 24 58.272 58.272 57.916 0.356 19235 125 1 . 1 1 24 24 ASP CB C 24 39.782 39.782 40.164 -0.381 19235 126 1 . 1 1 24 24 ASP H H 24 9.248 9.248 8.888 0.360 19235 127 1 . 1 1 25 25 ASP N N 25 114.688 114.688 117.471 -2.783 19235 128 1 . 1 1 25 25 ASP HA H 25 4.270 4.270 4.407 -0.137 19235 129 1 . 1 1 25 25 ASP C C 25 179.453 179.453 178.210 1.243 19235 130 1 . 1 1 25 25 ASP CA C 25 57.105 57.105 56.786 0.319 19235 131 1 . 1 1 25 25 ASP CB C 25 40.404 40.404 40.011 0.393 19235 132 1 . 1 1 25 25 ASP H H 25 8.640 8.640 8.576 0.064 19235 133 1 . 1 1 26 26 GLY N N 26 108.020 108.020 107.017 1.003 19235 134 1 . 1 1 26 26 GLY C C 26 176.629 176.629 176.206 0.423 19235 135 1 . 1 1 26 26 GLY CA C 26 47.412 47.412 46.284 1.128 19235 136 1 . 1 1 26 26 GLY H H 26 7.756 7.756 7.793 -0.036 19235 137 1 . 1 1 27 27 LEU N N 27 124.486 124.486 122.770 1.716 19235 138 1 . 1 1 27 27 LEU HA H 27 4.548 4.548 3.666 0.882 19235 139 1 . 1 1 27 27 LEU C C 27 180.999 180.999 178.751 2.248 19235 140 1 . 1 1 27 27 LEU CA C 27 58.155 58.155 57.015 1.140 19235 141 1 . 1 1 27 27 LEU CB C 27 44.308 44.308 41.695 2.613 19235 142 1 . 1 1 27 27 LEU H H 27 8.401 8.401 8.016 0.385 19235 143 1 . 1 1 28 28 LYS N N 28 118.482 118.482 117.539 0.943 19235 144 1 . 1 1 28 28 LYS HA H 28 4.265 4.265 4.225 0.040 19235 145 1 . 1 1 28 28 LYS C C 28 179.269 179.269 177.915 1.354 19235 146 1 . 1 1 28 28 LYS CA C 28 56.947 56.947 58.497 -1.550 19235 147 1 . 1 1 28 28 LYS CB C 28 33.645 33.645 32.097 1.548 19235 148 1 . 1 1 28 28 LYS H H 28 7.864 7.864 7.876 -0.012 19235 149 1 . 1 1 29 29 LYS N N 29 113.309 113.309 116.645 -3.336 19235 150 1 . 1 1 29 29 LYS HA H 29 4.195 4.195 4.163 0.032 19235 151 1 . 1 1 29 29 LYS C C 29 178.869 178.869 177.260 1.610 19235 152 1 . 1 1 29 29 LYS CA C 29 57.826 57.826 58.546 -0.720 19235 153 1 . 1 1 29 29 LYS CB C 29 32.849 32.849 33.069 -0.220 19235 154 1 . 1 1 29 29 LYS H H 29 7.666 7.666 7.473 0.193 19235 155 1 . 1 1 30 30 TRP N N 30 108.469 108.469 115.335 -6.866 19235 156 1 . 1 1 30 30 TRP HA H 30 5.260 5.260 4.875 0.385 19235 157 1 . 1 1 30 30 TRP C C 30 176.975 176.975 175.319 1.656 19235 158 1 . 1 1 30 30 TRP CA C 30 55.592 55.592 56.435 -0.843 19235 159 1 . 1 1 30 30 TRP CB C 30 31.448 31.448 29.405 2.043 19235 160 1 . 1 1 30 30 TRP H H 30 7.427 7.427 7.447 -0.020 19235 161 1 . 1 1 31 31 TRP N N 31 124.489 124.489 121.494 2.995 19235 162 1 . 1 1 31 31 TRP HA H 31 5.231 5.231 4.327 0.904 19235 163 1 . 1 1 31 31 TRP C C 31 175.907 175.907 175.971 -0.064 19235 164 1 . 1 1 31 31 TRP CA C 31 56.687 56.687 58.050 -1.363 19235 165 1 . 1 1 31 31 TRP CB C 31 28.988 28.988 30.603 -1.615 19235 166 1 . 1 1 31 31 TRP H H 31 7.525 7.525 7.721 -0.196 19235 167 1 . 1 1 32 32 THR N N 32 107.670 107.670 109.463 -1.793 19235 168 1 . 1 1 32 32 THR HA H 32 5.064 5.064 4.556 0.508 19235 169 1 . 1 1 32 32 THR C C 32 171.071 171.071 173.988 -2.917 19235 170 1 . 1 1 32 32 THR CA C 32 57.486 57.486 60.226 -2.740 19235 171 1 . 1 1 32 32 THR CB C 32 67.302 67.302 71.082 -3.780 19235 172 1 . 1 1 32 32 THR H H 32 6.582 6.582 7.755 -1.173 19235 173 1 . 1 1 33 33 ASN N N 33 118.705 118.705 117.401 1.304 19235 174 1 . 1 1 33 33 ASN HA H 33 4.715 4.715 4.747 -0.032 19235 175 1 . 1 1 33 33 ASN C C 33 176.424 176.424 174.480 1.944 19235 176 1 . 1 1 33 33 ASN CA C 33 54.187 54.187 54.064 0.123 19235 177 1 . 1 1 33 33 ASN CB C 33 37.878 37.878 38.879 -1.001 19235 178 1 . 1 1 33 33 ASN H H 33 8.281 8.281 8.629 -0.348 19235 179 1 . 1 1 34 34 ASP N N 34 121.174 121.174 120.199 0.975 19235 180 1 . 1 1 34 34 ASP HA H 34 4.730 4.730 4.781 -0.051 19235 181 1 . 1 1 34 34 ASP C C 34 174.163 174.163 173.722 0.441 19235 182 1 . 1 1 34 34 ASP CA C 34 52.699 52.699 53.280 -0.581 19235 183 1 . 1 1 34 34 ASP CB C 34 40.440 40.440 41.242 -0.802 19235 184 1 . 1 1 34 34 ASP H H 34 6.751 6.751 7.794 -1.043 19235 185 1 . 1 1 35 35 ILE N N 35 120.932 120.932 123.684 -2.752 19235 186 1 . 1 1 35 35 ILE HA H 35 4.563 4.563 4.725 -0.162 19235 187 1 . 1 1 35 35 ILE C C 35 175.512 175.512 174.511 1.001 19235 188 1 . 1 1 35 35 ILE CA C 35 60.429 60.429 59.859 0.570 19235 189 1 . 1 1 35 35 ILE CB C 35 42.109 42.109 41.167 0.942 19235 190 1 . 1 1 35 35 ILE H H 35 6.805 6.805 7.998 -1.193 19235 191 1 . 1 1 36 36 SER N N 36 117.993 117.993 120.107 -2.114 19235 192 1 . 1 1 36 36 SER HA H 36 4.600 4.600 4.853 -0.253 19235 193 1 . 1 1 36 36 SER C C 36 174.509 174.509 173.591 0.918 19235 194 1 . 1 1 36 36 SER CA C 36 56.936 56.936 56.596 0.340 19235 195 1 . 1 1 36 36 SER CB C 36 65.556 65.556 64.867 0.689 19235 196 1 . 1 1 36 36 SER H H 36 7.508 7.508 8.368 -0.860 19235 197 1 . 1 1 37 37 GLY N N 37 112.153 112.153 113.273 -1.120 19235 198 1 . 1 1 37 37 GLY C C 37 175.786 175.786 172.725 3.061 19235 199 1 . 1 1 37 37 GLY CA C 37 44.868 44.868 45.291 -0.423 19235 200 1 . 1 1 37 37 GLY H H 37 8.914 8.914 8.855 0.059 19235 201 1 . 1 1 38 38 ALA N N 38 125.303 125.303 123.787 1.516 19235 202 1 . 1 1 38 38 ALA HA H 38 3.649 3.649 3.994 -0.345 19235 203 1 . 1 1 38 38 ALA C C 38 179.569 179.569 176.362 3.207 19235 204 1 . 1 1 38 38 ALA CA C 38 54.299 54.299 52.647 1.652 19235 205 1 . 1 1 38 38 ALA CB C 38 17.266 17.266 17.560 -0.294 19235 206 1 . 1 1 38 38 ALA H H 38 10.037 10.037 8.261 1.776 19235 207 1 . 1 1 39 39 GLY N N 39 110.076 110.076 107.554 2.522 19235 208 1 . 1 1 39 39 GLY C C 39 175.023 175.023 174.194 0.829 19235 209 1 . 1 1 39 39 GLY CA C 39 45.930 45.930 44.193 1.737 19235 210 1 . 1 1 39 39 GLY H H 39 6.982 6.982 7.863 -0.881 19235 211 1 . 1 1 40 40 VAL N N 40 114.196 114.196 117.039 -2.843 19235 212 1 . 1 1 40 40 VAL HA H 40 4.284 4.284 4.424 -0.140 19235 213 1 . 1 1 40 40 VAL C C 40 177.795 177.795 175.979 1.816 19235 214 1 . 1 1 40 40 VAL CA C 40 61.133 61.133 60.714 0.418 19235 215 1 . 1 1 40 40 VAL CB C 40 32.878 32.878 33.767 -0.889 19235 216 1 . 1 1 40 40 VAL H H 40 7.857 7.857 7.856 0.002 19235 217 1 . 1 1 41 41 VAL N N 41 120.950 120.950 121.094 -0.144 19235 218 1 . 1 1 41 41 VAL HA H 41 3.568 3.568 3.573 -0.004 19235 219 1 . 1 1 41 41 VAL C C 41 177.788 177.788 176.841 0.947 19235 220 1 . 1 1 41 41 VAL CA C 41 66.196 66.196 64.716 1.480 19235 221 1 . 1 1 41 41 VAL CB C 41 31.188 31.188 31.223 -0.035 19235 222 1 . 1 1 41 41 VAL H H 41 8.469 8.469 8.429 0.040 19235 223 1 . 1 1 42 42 GLY N N 42 116.155 116.155 115.750 0.405 19235 224 1 . 1 1 42 42 GLY C C 42 176.032 176.032 174.315 1.717 19235 225 1 . 1 1 42 42 GLY CA C 42 44.392 44.392 44.688 -0.296 19235 226 1 . 1 1 42 42 GLY H H 42 9.266 9.266 8.910 0.356 19235 227 1 . 1 1 43 43 SER N N 43 118.352 118.352 117.672 0.680 19235 228 1 . 1 1 43 43 SER HA H 43 4.385 4.385 4.490 -0.105 19235 229 1 . 1 1 43 43 SER C C 43 173.302 173.302 173.854 -0.552 19235 230 1 . 1 1 43 43 SER CA C 43 59.910 59.910 58.784 1.126 19235 231 1 . 1 1 43 43 SER CB C 43 63.931 63.931 64.460 -0.529 19235 232 1 . 1 1 43 43 SER H H 43 8.408 8.408 8.193 0.215 19235 233 1 . 1 1 44 44 THR N N 44 118.418 118.418 120.671 -2.253 19235 234 1 . 1 1 44 44 THR HA H 44 4.815 4.815 4.645 0.170 19235 235 1 . 1 1 44 44 THR C C 44 173.450 173.450 173.814 -0.364 19235 236 1 . 1 1 44 44 THR CA C 44 62.444 62.444 61.459 0.985 19235 237 1 . 1 1 44 44 THR CB C 44 69.663 69.663 70.469 -0.806 19235 238 1 . 1 1 44 44 THR H H 44 8.386 8.386 8.212 0.174 19235 239 1 . 1 1 45 45 ILE N N 45 127.861 127.861 127.940 -0.079 19235 240 1 . 1 1 45 45 ILE HA H 45 3.838 3.838 4.171 -0.333 19235 241 1 . 1 1 45 45 ILE C C 45 176.164 176.164 174.333 1.831 19235 242 1 . 1 1 45 45 ILE CA C 45 60.423 60.423 60.542 -0.119 19235 243 1 . 1 1 45 45 ILE CB C 45 37.533 37.533 38.570 -1.037 19235 244 1 . 1 1 45 45 ILE H H 45 9.423 9.423 8.905 0.518 19235 245 1 . 1 1 46 46 LYS N N 46 125.403 125.403 127.761 -2.358 19235 246 1 . 1 1 46 46 LYS HA H 46 4.523 4.523 4.997 -0.474 19235 247 1 . 1 1 46 46 LYS C C 46 176.574 176.574 175.030 1.544 19235 248 1 . 1 1 46 46 LYS CA C 46 55.626 55.626 54.542 1.084 19235 249 1 . 1 1 46 46 LYS CB C 46 31.949 31.949 35.097 -3.148 19235 250 1 . 1 1 46 46 LYS H H 46 8.388 8.388 8.543 -0.155 19235 251 1 . 1 1 47 47 PHE N N 47 124.081 124.081 125.067 -0.986 19235 252 1 . 1 1 47 47 PHE HA H 47 4.401 4.401 4.704 -0.303 19235 253 1 . 1 1 47 47 PHE C C 47 177.107 177.107 174.917 2.190 19235 254 1 . 1 1 47 47 PHE CA C 47 57.154 57.154 56.727 0.427 19235 255 1 . 1 1 47 47 PHE CB C 47 39.637 39.637 41.605 -1.969 19235 256 1 . 1 1 47 47 PHE H H 47 8.026 8.026 8.594 -0.568 19235 257 1 . 1 1 48 48 ARG N N 48 121.376 121.376 122.363 -0.987 19235 258 1 . 1 1 48 48 ARG HA H 48 4.560 4.560 4.382 0.178 19235 259 1 . 1 1 48 48 ARG C C 48 175.042 175.042 174.950 0.092 19235 260 1 . 1 1 48 48 ARG CA C 48 52.582 52.582 56.500 -3.918 19235 261 1 . 1 1 48 48 ARG CB C 48 32.558 32.558 31.149 1.410 19235 262 1 . 1 1 48 48 ARG H H 48 8.521 8.521 8.384 0.137 19235 263 1 . 1 1 49 49 PHE N N 49 121.884 121.884 124.637 -2.753 19235 264 1 . 1 1 49 49 PHE HA H 49 3.799 3.799 4.747 -0.948 19235 265 1 . 1 1 49 49 PHE C C 49 175.580 175.580 174.439 1.141 19235 266 1 . 1 1 49 49 PHE CA C 49 55.306 55.306 56.669 -1.363 19235 267 1 . 1 1 49 49 PHE CB C 49 37.110 37.110 41.787 -4.677 19235 268 1 . 1 1 49 49 PHE H H 49 8.649 8.649 8.312 0.337 19235 269 1 . 1 1 50 50 ASN N N 50 121.994 121.994 122.052 -0.058 19235 270 1 . 1 1 50 50 ASN HA H 50 4.412 4.412 4.495 -0.083 19235 271 1 . 1 1 50 50 ASN C C 50 177.277 177.277 175.577 1.700 19235 272 1 . 1 1 50 50 ASN CA C 50 54.317 54.317 54.569 -0.252 19235 273 1 . 1 1 50 50 ASN CB C 50 37.124 37.124 37.966 -0.841 19235 274 1 . 1 1 50 50 ASN H H 50 9.296 9.296 8.150 1.146 19235 275 1 . 1 1 51 51 GLY N N 51 103.211 103.211 108.820 -5.609 19235 276 1 . 1 1 51 51 GLY C C 51 175.077 175.077 174.416 0.661 19235 277 1 . 1 1 51 51 GLY CA C 51 45.628 45.628 45.001 0.627 19235 278 1 . 1 1 51 51 GLY H H 51 8.532 8.532 7.892 0.640 19235 279 1 . 1 1 52 52 GLY N N 52 106.323 106.323 109.359 -3.036 19235 280 1 . 1 1 52 52 GLY C C 52 173.770 173.770 174.505 -0.735 19235 281 1 . 1 1 52 52 GLY CA C 52 43.487 43.487 44.748 -1.261 19235 282 1 . 1 1 52 52 GLY H H 52 7.215 7.215 8.064 -0.849 19235 283 1 . 1 1 53 53 GLY N N 53 109.867 109.867 109.819 0.048 19235 284 1 . 1 1 53 53 GLY C C 53 169.984 169.984 173.273 -3.289 19235 285 1 . 1 1 53 53 GLY CA C 53 45.504 45.504 43.437 2.067 19235 286 1 . 1 1 53 53 GLY H H 53 8.412 8.412 8.409 0.003 19235 287 1 . 1 1 54 54 PRO HA H 54 5.363 5.363 4.330 1.033 19235 288 1 . 1 1 54 54 PRO C C 54 175.960 175.960 175.283 0.677 19235 289 1 . 1 1 54 54 PRO CA C 54 62.635 62.635 62.360 0.275 19235 290 1 . 1 1 54 54 PRO CB C 54 33.340 33.340 33.004 0.336 19235 291 1 . 1 1 55 55 ASP N N 55 118.374 118.374 120.312 -1.938 19235 292 1 . 1 1 55 55 ASP HA H 55 5.778 5.778 5.476 0.302 19235 293 1 . 1 1 55 55 ASP C C 55 176.144 176.144 174.610 1.534 19235 294 1 . 1 1 55 55 ASP CA C 55 51.576 51.576 53.042 -1.467 19235 295 1 . 1 1 55 55 ASP CB C 55 41.471 41.471 44.697 -3.226 19235 296 1 . 1 1 55 55 ASP H H 55 6.732 6.732 7.988 -1.256 19235 297 1 . 1 1 56 56 PHE N N 56 116.916 116.916 120.920 -4.004 19235 298 1 . 1 1 56 56 PHE HA H 56 5.083 5.083 5.004 0.079 19235 299 1 . 1 1 56 56 PHE C C 56 175.088 175.088 174.789 0.298 19235 300 1 . 1 1 56 56 PHE CA C 56 57.362 57.362 56.397 0.965 19235 301 1 . 1 1 56 56 PHE CB C 56 43.296 43.296 41.840 1.456 19235 302 1 . 1 1 56 56 PHE H H 56 9.140 9.140 9.021 0.119 19235 303 1 . 1 1 57 57 LYS N N 57 123.219 123.219 124.595 -1.376 19235 304 1 . 1 1 57 57 LYS HA H 57 5.238 5.238 4.769 0.469 19235 305 1 . 1 1 57 57 LYS C C 57 177.979 177.979 175.835 2.144 19235 306 1 . 1 1 57 57 LYS CA C 57 54.310 54.310 55.315 -1.005 19235 307 1 . 1 1 57 57 LYS CB C 57 33.930 33.930 34.606 -0.676 19235 308 1 . 1 1 57 57 LYS H H 57 9.574 9.574 9.079 0.495 19235 309 1 . 1 1 58 58 VAL N N 58 127.037 127.037 127.494 -0.457 19235 310 1 . 1 1 58 58 VAL HA H 58 4.667 4.667 4.503 0.164 19235 311 1 . 1 1 58 58 VAL C C 58 178.738 178.738 176.492 2.246 19235 312 1 . 1 1 58 58 VAL CA C 58 63.756 63.756 62.969 0.787 19235 313 1 . 1 1 58 58 VAL CB C 58 31.733 31.733 31.707 0.026 19235 314 1 . 1 1 58 58 VAL H H 58 9.196 9.196 8.748 0.448 19235 315 1 . 1 1 59 59 THR N N 59 120.775 120.775 120.172 0.602 19235 316 1 . 1 1 59 59 THR HA H 59 4.716 4.716 4.478 0.238 19235 317 1 . 1 1 59 59 THR C C 59 177.001 177.001 174.668 2.333 19235 318 1 . 1 1 59 59 THR CA C 59 62.615 62.615 62.085 0.531 19235 319 1 . 1 1 59 59 THR CB C 59 69.528 69.528 69.803 -0.275 19235 320 1 . 1 1 59 59 THR H H 59 9.470 9.470 9.232 0.238 19235 321 1 . 1 1 60 60 LYS N N 60 123.315 123.315 121.443 1.872 19235 322 1 . 1 1 60 60 LYS HA H 60 4.432 4.432 4.555 -0.123 19235 323 1 . 1 1 60 60 LYS C C 60 174.225 174.225 173.978 0.247 19235 324 1 . 1 1 60 60 LYS CA C 60 57.919 57.919 56.609 1.310 19235 325 1 . 1 1 60 60 LYS CB C 60 35.331 35.331 36.212 -0.880 19235 326 1 . 1 1 60 60 LYS H H 60 7.819 7.819 7.718 0.101 19235 327 1 . 1 1 61 61 LEU N N 61 125.573 125.573 126.752 -1.179 19235 328 1 . 1 1 61 61 LEU HA H 61 5.215 5.215 5.021 0.194 19235 329 1 . 1 1 61 61 LEU C C 61 177.508 177.508 175.634 1.874 19235 330 1 . 1 1 61 61 LEU CA C 61 54.354 54.354 53.957 0.397 19235 331 1 . 1 1 61 61 LEU CB C 61 44.769 44.769 44.542 0.227 19235 332 1 . 1 1 61 61 LEU H H 61 8.354 8.354 8.597 -0.243 19235 333 1 . 1 1 62 62 ILE N N 62 124.326 124.326 125.164 -0.838 19235 334 1 . 1 1 62 62 ILE HA H 62 4.771 4.771 4.629 0.142 19235 335 1 . 1 1 62 62 ILE C C 62 175.200 175.200 173.997 1.203 19235 336 1 . 1 1 62 62 ILE CA C 62 57.956 57.956 56.853 1.103 19235 337 1 . 1 1 62 62 ILE CB C 62 38.287 38.287 39.654 -1.367 19235 338 1 . 1 1 62 62 ILE H H 62 9.340 9.340 9.027 0.313 19235 339 1 . 1 1 63 63 PRO HA H 63 3.288 3.288 3.849 -0.561 19235 340 1 . 1 1 63 63 PRO CB C 63 31.868 31.868 31.403 0.465 19235 341 1 . 1 1 64 64 ASN N N 64 113.559 113.559 116.132 -2.573 19235 342 1 . 1 1 64 64 ASN HA H 64 3.455 3.455 3.998 -0.543 19235 343 1 . 1 1 64 64 ASN C C 64 174.053 174.053 174.321 -0.268 19235 344 1 . 1 1 64 64 ASN CA C 64 55.372 55.372 54.372 1.000 19235 345 1 . 1 1 64 64 ASN CB C 64 36.870 36.870 36.721 0.149 19235 346 1 . 1 1 64 64 ASN H H 64 4.547 4.547 7.292 -2.745 19235 347 1 . 1 1 65 65 LYS N N 65 116.786 116.786 116.644 0.142 19235 348 1 . 1 1 65 65 LYS HA H 65 4.813 4.813 4.505 0.308 19235 349 1 . 1 1 65 65 LYS C C 65 176.349 176.349 174.836 1.513 19235 350 1 . 1 1 65 65 LYS CA C 65 59.028 59.028 57.356 1.672 19235 351 1 . 1 1 65 65 LYS CB C 65 36.436 36.436 35.310 1.126 19235 352 1 . 1 1 65 65 LYS H H 65 8.222 8.222 8.026 0.196 19235 353 1 . 1 1 66 66 THR N N 66 114.184 114.184 117.053 -2.869 19235 354 1 . 1 1 66 66 THR HA H 66 5.462 5.462 5.392 0.070 19235 355 1 . 1 1 66 66 THR C C 66 173.770 173.770 172.889 0.880 19235 356 1 . 1 1 66 66 THR CA C 66 62.725 62.725 61.743 0.982 19235 357 1 . 1 1 66 66 THR CB C 66 73.439 73.439 71.894 1.545 19235 358 1 . 1 1 66 66 THR H H 66 8.667 8.667 7.870 0.797 19235 359 1 . 1 1 67 67 VAL N N 67 127.075 127.075 126.892 0.183 19235 360 1 . 1 1 67 67 VAL HA H 67 4.706 4.706 4.781 -0.075 19235 361 1 . 1 1 67 67 VAL C C 67 176.093 176.093 174.193 1.900 19235 362 1 . 1 1 67 67 VAL CA C 67 61.958 61.958 60.625 1.333 19235 363 1 . 1 1 67 67 VAL CB C 67 36.177 36.177 35.391 0.786 19235 364 1 . 1 1 67 67 VAL H H 67 8.777 8.777 8.940 -0.163 19235 365 1 . 1 1 68 68 CYS N N 68 122.749 122.749 126.670 -3.921 19235 366 1 . 1 1 68 68 CYS HA H 68 5.483 5.483 5.335 0.148 19235 367 1 . 1 1 68 68 CYS C C 68 174.607 174.607 173.770 0.837 19235 368 1 . 1 1 68 68 CYS CA C 68 57.137 57.137 56.830 0.307 19235 369 1 . 1 1 68 68 CYS CB C 68 30.674 30.674 29.641 1.033 19235 370 1 . 1 1 68 68 CYS H H 68 8.987 8.987 8.875 0.112 19235 371 1 . 1 1 69 69 TRP N N 69 123.217 123.217 126.533 -3.316 19235 372 1 . 1 1 69 69 TRP HA H 69 6.312 6.312 5.683 0.629 19235 373 1 . 1 1 69 69 TRP C C 69 178.064 178.064 175.056 3.008 19235 374 1 . 1 1 69 69 TRP CA C 69 52.798 52.798 54.171 -1.373 19235 375 1 . 1 1 69 69 TRP CB C 69 36.140 36.140 32.291 3.849 19235 376 1 . 1 1 69 69 TRP H H 69 9.612 9.612 9.321 0.291 19235 377 1 . 1 1 70 70 GLN N N 70 122.556 122.556 120.639 1.917 19235 378 1 . 1 1 70 70 GLN HA H 70 5.284 5.284 4.950 0.334 19235 379 1 . 1 1 70 70 GLN C C 70 176.295 176.295 174.736 1.559 19235 380 1 . 1 1 70 70 GLN CA C 70 54.886 54.886 54.247 0.639 19235 381 1 . 1 1 70 70 GLN CB C 70 33.277 33.277 32.814 0.463 19235 382 1 . 1 1 70 70 GLN H H 70 10.132 10.132 9.223 0.909 19235 383 1 . 1 1 71 71 HIS N N 71 128.443 128.443 127.584 0.859 19235 384 1 . 1 1 71 71 HIS HA H 71 3.986 3.986 4.656 -0.670 19235 385 1 . 1 1 71 71 HIS C C 71 175.251 175.251 173.853 1.398 19235 386 1 . 1 1 71 71 HIS CA C 71 60.992 60.992 57.317 3.675 19235 387 1 . 1 1 71 71 HIS CB C 71 31.226 31.226 31.285 -0.059 19235 388 1 . 1 1 71 71 HIS H H 71 8.947 8.947 8.652 0.295 19235 389 1 . 1 1 72 72 ALA N N 72 131.788 131.788 127.677 4.111 19235 390 1 . 1 1 72 72 ALA HA H 72 4.707 4.707 4.596 0.111 19235 391 1 . 1 1 72 72 ALA C C 72 176.274 176.274 174.793 1.481 19235 392 1 . 1 1 72 72 ALA CA C 72 50.501 50.501 51.285 -0.784 19235 393 1 . 1 1 72 72 ALA CB C 72 21.372 21.372 21.782 -0.410 19235 394 1 . 1 1 72 72 ALA H H 72 7.954 7.954 8.097 -0.143 19235 395 1 . 1 1 73 73 GLY N N 73 107.065 107.065 108.060 -0.995 19235 396 1 . 1 1 73 73 GLY C C 73 175.476 175.476 173.286 2.190 19235 397 1 . 1 1 73 73 GLY CA C 73 44.907 44.907 44.861 0.046 19235 398 1 . 1 1 73 73 GLY H H 73 8.037 8.037 7.907 0.131 19235 399 1 . 1 1 74 74 ASN N N 74 117.053 117.053 118.694 -1.641 19235 400 1 . 1 1 74 74 ASN HA H 74 5.258 5.258 4.817 0.441 19235 401 1 . 1 1 74 74 ASN C C 74 175.858 175.858 175.175 0.683 19235 402 1 . 1 1 74 74 ASN CA C 74 52.628 52.628 52.982 -0.354 19235 403 1 . 1 1 74 74 ASN CB C 74 39.618 39.618 38.450 1.168 19235 404 1 . 1 1 74 74 ASN H H 74 8.214 8.214 8.599 -0.385 19235 405 1 . 1 1 75 75 MET N N 75 118.795 118.795 120.723 -1.928 19235 406 1 . 1 1 75 75 MET HA H 75 4.972 4.972 4.598 0.374 19235 407 1 . 1 1 75 75 MET C C 75 176.426 176.426 174.152 2.274 19235 408 1 . 1 1 75 75 MET CA C 75 52.203 52.203 53.418 -1.215 19235 409 1 . 1 1 75 75 MET CB C 75 35.318 35.318 32.670 2.648 19235 410 1 . 1 1 75 75 MET H H 75 8.685 8.685 7.664 1.021 19235 411 1 . 1 1 76 76 PRO HA H 76 4.918 4.918 4.325 0.593 19235 412 1 . 1 1 76 76 PRO C C 76 179.193 179.193 177.290 1.903 19235 413 1 . 1 1 76 76 PRO CA C 76 62.896 62.896 63.008 -0.112 19235 414 1 . 1 1 76 76 PRO CB C 76 32.869 32.869 32.156 0.713 19235 415 1 . 1 1 77 77 GLU N N 77 124.888 124.888 122.965 1.923 19235 416 1 . 1 1 77 77 GLU HA H 77 3.802 3.802 3.904 -0.102 19235 417 1 . 1 1 77 77 GLU C C 77 181.035 181.035 178.354 2.681 19235 418 1 . 1 1 77 77 GLU CA C 77 60.350 60.350 60.004 0.346 19235 419 1 . 1 1 77 77 GLU CB C 77 29.167 29.167 29.482 -0.315 19235 420 1 . 1 1 77 77 GLU H H 77 9.141 9.141 8.820 0.321 19235 421 1 . 1 1 78 78 SER N N 78 111.049 111.049 112.353 -1.304 19235 422 1 . 1 1 78 78 SER HA H 78 4.335 4.335 4.217 0.118 19235 423 1 . 1 1 78 78 SER C C 78 174.864 174.864 175.313 -0.449 19235 424 1 . 1 1 78 78 SER CA C 78 60.184 60.184 60.486 -0.302 19235 425 1 . 1 1 78 78 SER CB C 78 63.543 63.543 62.721 0.822 19235 426 1 . 1 1 78 78 SER H H 78 8.349 8.349 8.268 0.081 19235 427 1 . 1 1 79 79 TRP N N 79 115.554 115.554 120.609 -5.056 19235 428 1 . 1 1 79 79 TRP HA H 79 4.315 4.315 4.729 -0.414 19235 429 1 . 1 1 79 79 TRP C C 79 178.135 178.135 177.347 0.788 19235 430 1 . 1 1 79 79 TRP CA C 79 54.664 54.664 57.057 -2.393 19235 431 1 . 1 1 79 79 TRP CB C 79 26.956 26.956 29.673 -2.717 19235 432 1 . 1 1 79 79 TRP H H 79 7.492 7.492 7.777 -0.285 19235 433 1 . 1 1 80 80 MET N N 80 123.060 123.060 118.406 4.654 19235 434 1 . 1 1 80 80 MET HA H 80 4.677 4.677 4.806 -0.129 19235 435 1 . 1 1 80 80 MET C C 80 179.026 179.026 178.094 0.932 19235 436 1 . 1 1 80 80 MET CA C 80 58.410 58.410 57.922 0.488 19235 437 1 . 1 1 80 80 MET CB C 80 32.136 32.136 33.696 -1.560 19235 438 1 . 1 1 80 80 MET H H 80 7.570 7.570 8.045 -0.475 19235 439 1 . 1 1 81 81 GLY N N 81 112.489 112.489 108.516 3.973 19235 440 1 . 1 1 81 81 GLY C C 81 176.316 176.316 173.859 2.457 19235 441 1 . 1 1 81 81 GLY CA C 81 45.856 45.856 44.831 1.025 19235 442 1 . 1 1 81 81 GLY H H 81 9.025 9.025 8.078 0.947 19235 443 1 . 1 1 82 82 THR N N 82 110.515 110.515 113.267 -2.752 19235 444 1 . 1 1 82 82 THR HA H 82 4.925 4.925 4.528 0.397 19235 445 1 . 1 1 82 82 THR C C 82 175.233 175.233 173.173 2.060 19235 446 1 . 1 1 82 82 THR CA C 82 61.666 61.666 60.528 1.138 19235 447 1 . 1 1 82 82 THR CB C 82 72.105 72.105 71.233 0.872 19235 448 1 . 1 1 82 82 THR H H 82 8.201 8.201 7.668 0.533 19235 449 1 . 1 1 83 83 GLU N N 83 117.578 117.578 122.070 -4.492 19235 450 1 . 1 1 83 83 GLU HA H 83 5.304 5.304 5.182 0.122 19235 451 1 . 1 1 83 83 GLU C C 83 175.305 175.305 174.695 0.610 19235 452 1 . 1 1 83 83 GLU CA C 83 54.829 54.829 54.915 -0.086 19235 453 1 . 1 1 83 83 GLU CB C 83 33.779 33.779 33.945 -0.166 19235 454 1 . 1 1 83 83 GLU H H 83 8.098 8.098 8.484 -0.386 19235 455 1 . 1 1 84 84 ILE N N 84 122.729 122.729 122.496 0.233 19235 456 1 . 1 1 84 84 ILE HA H 84 4.844 4.844 4.606 0.238 19235 457 1 . 1 1 84 84 ILE C C 84 175.731 175.731 174.061 1.670 19235 458 1 . 1 1 84 84 ILE CA C 84 59.132 59.132 59.737 -0.605 19235 459 1 . 1 1 84 84 ILE CB C 84 41.465 41.465 41.429 0.036 19235 460 1 . 1 1 84 84 ILE H H 84 9.191 9.191 8.996 0.195 19235 461 1 . 1 1 85 85 SER N N 85 119.684 119.684 119.880 -0.196 19235 462 1 . 1 1 85 85 SER HA H 85 5.269 5.269 5.013 0.257 19235 463 1 . 1 1 85 85 SER C C 85 173.140 173.140 172.786 0.353 19235 464 1 . 1 1 85 85 SER CA C 85 55.616 55.616 55.815 -0.199 19235 465 1 . 1 1 85 85 SER CB C 85 66.396 66.396 65.213 1.183 19235 466 1 . 1 1 85 85 SER H H 85 8.264 8.264 8.513 -0.249 19235 467 1 . 1 1 86 86 PHE N N 86 120.734 120.734 124.734 -4.000 19235 468 1 . 1 1 86 86 PHE HA H 86 4.808 4.808 5.079 -0.271 19235 469 1 . 1 1 86 86 PHE C C 86 175.882 175.882 174.298 1.584 19235 470 1 . 1 1 86 86 PHE CA C 86 56.145 56.145 56.443 -0.298 19235 471 1 . 1 1 86 86 PHE CB C 86 41.089 41.089 40.568 0.521 19235 472 1 . 1 1 86 86 PHE H H 86 9.202 9.202 9.182 0.020 19235 473 1 . 1 1 87 87 GLN N N 87 120.452 120.452 124.621 -4.169 19235 474 1 . 1 1 87 87 GLN HA H 87 5.421 5.421 5.133 0.288 19235 475 1 . 1 1 87 87 GLN C C 87 176.561 176.561 174.508 2.053 19235 476 1 . 1 1 87 87 GLN CA C 87 53.950 53.950 54.072 -0.122 19235 477 1 . 1 1 87 87 GLN CB C 87 30.701 30.701 31.077 -0.376 19235 478 1 . 1 1 87 87 GLN H H 87 8.663 8.663 8.895 -0.232 19235 479 1 . 1 1 88 88 LEU N N 88 126.610 126.610 128.511 -1.901 19235 480 1 . 1 1 88 88 LEU HA H 88 5.450 5.450 5.162 0.288 19235 481 1 . 1 1 88 88 LEU C C 88 178.015 178.015 176.752 1.263 19235 482 1 . 1 1 88 88 LEU CA C 88 54.286 54.286 53.999 0.287 19235 483 1 . 1 1 88 88 LEU CB C 88 41.965 41.965 43.382 -1.417 19235 484 1 . 1 1 88 88 LEU H H 88 9.315 9.315 8.806 0.509 19235 485 1 . 1 1 89 89 GLU N N 89 123.568 123.568 124.146 -0.578 19235 486 1 . 1 1 89 89 GLU HA H 89 4.792 4.792 4.722 0.070 19235 487 1 . 1 1 89 89 GLU C C 89 176.006 176.006 175.460 0.546 19235 488 1 . 1 1 89 89 GLU CA C 89 55.458 55.458 54.633 0.825 19235 489 1 . 1 1 89 89 GLU CB C 89 32.625 32.625 33.061 -0.436 19235 490 1 . 1 1 89 89 GLU H H 89 8.862 8.862 9.142 -0.280 19235 491 1 . 1 1 90 90 THR N N 90 124.266 124.266 122.682 1.584 19235 492 1 . 1 1 90 90 THR HA H 90 4.828 4.828 4.129 0.699 19235 493 1 . 1 1 90 90 THR C C 90 175.572 175.572 174.142 1.430 19235 494 1 . 1 1 90 90 THR CA C 90 63.397 63.397 63.915 -0.518 19235 495 1 . 1 1 90 90 THR CB C 90 69.628 69.628 69.185 0.443 19235 496 1 . 1 1 90 90 THR H H 90 9.120 9.120 8.581 0.539 19235 497 1 . 1 1 91 91 VAL N N 91 125.506 125.506 125.875 -0.369 19235 498 1 . 1 1 91 91 VAL HA H 91 4.497 4.497 4.256 0.241 19235 499 1 . 1 1 91 91 VAL C C 91 176.665 176.665 175.826 0.839 19235 500 1 . 1 1 91 91 VAL CA C 91 61.191 61.191 59.883 1.308 19235 501 1 . 1 1 91 91 VAL CB C 91 33.502 33.502 33.678 -0.176 19235 502 1 . 1 1 91 91 VAL H H 91 8.729 8.729 8.288 0.441 19235 503 1 . 1 1 92 92 GLU C C 92 177.778 177.778 176.739 1.039 19235 504 1 . 1 1 93 93 ASN N N 93 115.899 115.899 115.801 0.098 19235 505 1 . 1 1 93 93 ASN C C 93 174.644 174.644 174.818 -0.174 19235 506 1 . 1 1 93 93 ASN H H 93 8.372 8.372 8.332 0.040 19235 507 1 . 1 1 94 94 GLN N N 94 114.412 114.412 116.750 -2.338 19235 508 1 . 1 1 94 94 GLN HA H 94 4.618 4.618 4.582 0.036 19235 509 1 . 1 1 94 94 GLN C C 94 173.810 173.810 173.992 -0.182 19235 510 1 . 1 1 94 94 GLN CA C 94 54.663 54.663 54.721 -0.058 19235 511 1 . 1 1 94 94 GLN CB C 94 29.779 29.779 32.032 -2.253 19235 512 1 . 1 1 94 94 GLN H H 94 7.505 7.505 7.631 -0.126 19235 513 1 . 1 1 95 95 THR N N 95 117.223 117.223 116.549 0.674 19235 514 1 . 1 1 95 95 THR HA H 95 4.889 4.889 4.839 0.050 19235 515 1 . 1 1 95 95 THR C C 95 175.599 175.599 173.352 2.247 19235 516 1 . 1 1 95 95 THR CA C 95 61.633 61.633 61.972 -0.339 19235 517 1 . 1 1 95 95 THR CB C 95 70.071 70.071 70.737 -0.666 19235 518 1 . 1 1 95 95 THR H H 95 8.975 8.975 8.568 0.407 19235 519 1 . 1 1 96 96 PHE N N 96 125.360 125.360 126.868 -1.509 19235 520 1 . 1 1 96 96 PHE HA H 96 4.732 4.732 4.863 -0.131 19235 521 1 . 1 1 96 96 PHE C C 96 176.859 176.859 174.565 2.294 19235 522 1 . 1 1 96 96 PHE CA C 96 58.180 58.180 55.267 2.913 19235 523 1 . 1 1 96 96 PHE CB C 96 40.094 40.094 40.568 -0.474 19235 524 1 . 1 1 96 96 PHE H H 96 9.499 9.499 9.316 0.183 19235 525 1 . 1 1 97 97 VAL N N 97 122.027 122.027 125.126 -3.099 19235 526 1 . 1 1 97 97 VAL HA H 97 4.517 4.517 4.447 0.070 19235 527 1 . 1 1 97 97 VAL C C 97 175.876 175.876 174.905 0.971 19235 528 1 . 1 1 97 97 VAL CA C 97 61.363 61.363 61.374 -0.011 19235 529 1 . 1 1 97 97 VAL CB C 97 32.379 32.379 32.981 -0.601 19235 530 1 . 1 1 97 97 VAL H H 97 9.394 9.394 8.988 0.406 19235 531 1 . 1 1 98 98 ARG N N 98 126.680 126.680 127.343 -0.663 19235 532 1 . 1 1 98 98 ARG HA H 98 4.191 4.191 4.819 -0.628 19235 533 1 . 1 1 98 98 ARG C C 98 176.185 176.185 174.549 1.636 19235 534 1 . 1 1 98 98 ARG CA C 98 54.801 54.801 54.775 0.026 19235 535 1 . 1 1 98 98 ARG CB C 98 29.500 29.500 31.749 -2.249 19235 536 1 . 1 1 98 98 ARG H H 98 9.245 9.245 9.110 0.135 19235 537 1 . 1 1 99 99 PHE N N 99 131.125 131.125 128.526 2.599 19235 538 1 . 1 1 99 99 PHE HA H 99 4.872 4.872 5.161 -0.289 19235 539 1 . 1 1 99 99 PHE C C 99 174.793 174.793 173.773 1.020 19235 540 1 . 1 1 99 99 PHE CA C 99 55.727 55.727 55.916 -0.189 19235 541 1 . 1 1 99 99 PHE CB C 99 42.571 42.571 42.092 0.479 19235 542 1 . 1 1 99 99 PHE H H 99 8.723 8.723 9.230 -0.507 19235 543 1 . 1 1 100 100 THR N N 100 124.512 124.512 125.824 -1.312 19235 544 1 . 1 1 100 100 THR HA H 100 5.062 5.062 4.974 0.088 19235 545 1 . 1 1 100 100 THR C C 100 173.105 173.105 172.028 1.077 19235 546 1 . 1 1 100 100 THR CA C 100 59.971 59.971 60.849 -0.878 19235 547 1 . 1 1 100 100 THR CB C 100 71.127 71.127 70.483 0.644 19235 548 1 . 1 1 100 100 THR H H 100 8.020 8.020 8.118 -0.099 19235 549 1 . 1 1 101 101 HIS N N 101 127.719 127.719 127.621 0.098 19235 550 1 . 1 1 101 101 HIS HA H 101 5.043 5.043 5.301 -0.258 19235 551 1 . 1 1 101 101 HIS C C 101 176.440 176.440 174.025 2.415 19235 552 1 . 1 1 101 101 HIS CA C 101 52.905 52.905 53.706 -0.801 19235 553 1 . 1 1 101 101 HIS CB C 101 32.335 32.335 32.216 0.119 19235 554 1 . 1 1 101 101 HIS H H 101 8.714 8.714 8.909 -0.195 19235 555 1 . 1 1 102 102 SER N N 102 121.048 121.048 123.047 -1.999 19235 556 1 . 1 1 102 102 SER HA H 102 5.023 5.023 4.989 0.035 19235 557 1 . 1 1 102 102 SER C C 102 175.564 175.564 173.939 1.625 19235 558 1 . 1 1 102 102 SER CA C 102 57.264 57.264 56.779 0.485 19235 559 1 . 1 1 102 102 SER CB C 102 66.564 66.564 65.785 0.779 19235 560 1 . 1 1 102 102 SER H H 102 9.804 9.804 8.575 1.229 19235 561 1 . 1 1 103 103 ASN N N 103 110.931 110.931 115.238 -4.307 19235 562 1 . 1 1 103 103 ASN HA H 103 4.392 4.392 4.386 0.006 19235 563 1 . 1 1 103 103 ASN C C 103 176.631 176.631 173.944 2.687 19235 564 1 . 1 1 103 103 ASN CA C 103 54.386 54.386 54.349 0.037 19235 565 1 . 1 1 103 103 ASN CB C 103 36.533 36.533 36.657 -0.124 19235 566 1 . 1 1 103 103 ASN H H 103 8.304 8.304 8.652 -0.348 19235 567 1 . 1 1 104 104 TRP N N 104 119.944 119.944 119.305 0.639 19235 568 1 . 1 1 104 104 TRP HA H 104 4.282 4.282 4.768 -0.486 19235 569 1 . 1 1 104 104 TRP C C 104 179.325 179.325 176.923 2.402 19235 570 1 . 1 1 104 104 TRP CA C 104 58.316 58.316 56.816 1.499 19235 571 1 . 1 1 104 104 TRP CB C 104 27.723 27.723 30.195 -2.472 19235 572 1 . 1 1 104 104 TRP H H 104 8.669 8.669 8.581 0.088 19235 573 1 . 1 1 105 105 HIS N N 105 121.315 121.315 122.955 -1.640 19235 574 1 . 1 1 105 105 HIS HA H 105 4.466 4.466 4.300 0.166 19235 575 1 . 1 1 105 105 HIS C C 105 176.866 176.866 174.844 2.022 19235 576 1 . 1 1 105 105 HIS CA C 105 59.426 59.426 58.557 0.869 19235 577 1 . 1 1 105 105 HIS CB C 105 31.018 31.018 30.701 0.317 19235 578 1 . 1 1 105 105 HIS H H 105 8.919 8.919 9.006 -0.087 19235 579 1 . 1 1 106 106 GLU N N 106 112.392 112.392 115.296 -2.904 19235 580 1 . 1 1 106 106 GLU HA H 106 4.529 4.529 4.531 -0.002 19235 581 1 . 1 1 106 106 GLU C C 106 175.482 175.482 175.354 0.128 19235 582 1 . 1 1 106 106 GLU CA C 106 54.346 54.346 55.221 -0.875 19235 583 1 . 1 1 106 106 GLU CB C 106 32.316 32.316 31.620 0.696 19235 584 1 . 1 1 106 106 GLU H H 106 7.800 7.800 8.015 -0.215 19235 585 1 . 1 1 107 107 THR N N 107 117.872 117.872 114.291 3.581 19235 586 1 . 1 1 107 107 THR HA H 107 4.261 4.261 4.238 0.023 19235 587 1 . 1 1 107 107 THR C C 107 175.517 175.517 174.538 0.979 19235 588 1 . 1 1 107 107 THR CA C 107 63.456 63.456 62.295 1.161 19235 589 1 . 1 1 107 107 THR CB C 107 68.072 68.072 67.807 0.265 19235 590 1 . 1 1 107 107 THR H H 107 8.668 8.668 8.447 0.221 19235 591 1 . 1 1 108 108 THR N N 108 116.177 116.177 117.539 -1.362 19235 592 1 . 1 1 108 108 THR HA H 108 4.720 4.720 4.505 0.215 19235 593 1 . 1 1 108 108 THR C C 108 176.376 176.376 175.183 1.193 19235 594 1 . 1 1 108 108 THR CA C 108 59.356 59.356 59.835 -0.479 19235 595 1 . 1 1 108 108 THR CB C 108 73.275 73.275 70.697 2.577 19235 596 1 . 1 1 108 108 THR H H 108 6.802 6.802 7.946 -1.144 19235 597 1 . 1 1 109 109 ASP C C 109 179.100 179.100 177.838 1.262 19235 598 1 . 1 1 109 109 ASP CA C 109 57.460 57.460 56.729 0.731 19235 599 1 . 1 1 109 109 ASP CB C 109 40.168 40.168 40.269 -0.101 19235 600 1 . 1 1 110 110 PHE N N 110 119.151 119.151 119.509 -0.358 19235 601 1 . 1 1 110 110 PHE HA H 110 4.551 4.551 4.080 0.471 19235 602 1 . 1 1 110 110 PHE C C 110 179.054 179.054 177.271 1.783 19235 603 1 . 1 1 110 110 PHE CA C 110 60.711 60.711 60.644 0.067 19235 604 1 . 1 1 110 110 PHE CB C 110 38.427 38.427 38.747 -0.320 19235 605 1 . 1 1 110 110 PHE H H 110 8.463 8.463 7.612 0.850 19235 606 1 . 1 1 111 111 MET N N 111 122.801 122.801 118.846 3.955 19235 607 1 . 1 1 111 111 MET HA H 111 3.061 3.061 3.219 -0.158 19235 608 1 . 1 1 111 111 MET C C 111 178.661 178.661 177.517 1.144 19235 609 1 . 1 1 111 111 MET CA C 111 59.888 59.888 57.589 2.299 19235 610 1 . 1 1 111 111 MET CB C 111 31.587 31.587 31.222 0.365 19235 611 1 . 1 1 111 111 MET H H 111 8.261 8.261 7.658 0.603 19235 612 1 . 1 1 112 112 ALA N N 112 121.236 121.236 121.165 0.071 19235 613 1 . 1 1 112 112 ALA HA H 112 3.837 3.837 3.790 0.047 19235 614 1 . 1 1 112 112 ALA C C 112 179.201 179.201 179.436 -0.235 19235 615 1 . 1 1 112 112 ALA CA C 112 54.789 54.789 54.874 -0.085 19235 616 1 . 1 1 112 112 ALA CB C 112 18.163 18.163 17.881 0.282 19235 617 1 . 1 1 112 112 ALA H H 112 7.744 7.744 7.607 0.137 19235 618 1 . 1 1 113 113 HIS N N 113 116.411 116.411 117.656 -1.245 19235 619 1 . 1 1 113 113 HIS HA H 113 4.333 4.333 4.132 0.201 19235 620 1 . 1 1 113 113 HIS C C 113 178.145 178.145 177.733 0.412 19235 621 1 . 1 1 113 113 HIS CA C 113 60.201 60.201 58.654 1.547 19235 622 1 . 1 1 113 113 HIS CB C 113 29.841 29.841 29.763 0.078 19235 623 1 . 1 1 113 113 HIS H H 113 8.275 8.275 7.824 0.451 19235 624 1 . 1 1 114 114 CYS N N 114 114.740 114.740 117.338 -2.598 19235 625 1 . 1 1 114 114 CYS HA H 114 3.961 3.961 3.889 0.072 19235 626 1 . 1 1 114 114 CYS C C 114 177.431 177.431 176.428 1.003 19235 627 1 . 1 1 114 114 CYS CA C 114 63.491 63.491 63.424 0.067 19235 628 1 . 1 1 114 114 CYS CB C 114 26.608 26.608 26.472 0.136 19235 629 1 . 1 1 114 114 CYS H H 114 8.456 8.456 8.091 0.365 19235 630 1 . 1 1 115 115 ASN N N 115 120.985 120.985 118.780 2.205 19235 631 1 . 1 1 115 115 ASN HA H 115 4.709 4.709 4.440 0.269 19235 632 1 . 1 1 115 115 ASN C C 115 179.521 179.521 177.431 2.090 19235 633 1 . 1 1 115 115 ASN CA C 115 58.086 58.086 56.314 1.772 19235 634 1 . 1 1 115 115 ASN CB C 115 38.919 38.919 38.243 0.676 19235 635 1 . 1 1 115 115 ASN H H 115 8.983 8.983 8.085 0.898 19235 636 1 . 1 1 116 116 THR N N 116 119.651 119.651 116.201 3.450 19235 637 1 . 1 1 116 116 THR HA H 116 4.227 4.227 3.859 0.368 19235 638 1 . 1 1 116 116 THR C C 116 177.405 177.405 176.336 1.069 19235 639 1 . 1 1 116 116 THR CA C 116 67.150 67.150 66.568 0.582 19235 640 1 . 1 1 116 116 THR CB C 116 68.365 68.365 68.696 -0.331 19235 641 1 . 1 1 116 116 THR H H 116 8.704 8.704 7.863 0.841 19235 642 1 . 1 1 117 117 LYS N N 117 121.343 121.343 121.808 -0.465 19235 643 1 . 1 1 117 117 LYS HA H 117 4.280 4.280 3.494 0.786 19235 644 1 . 1 1 117 117 LYS C C 117 180.250 180.250 178.398 1.852 19235 645 1 . 1 1 117 117 LYS CA C 117 57.102 57.102 59.178 -2.076 19235 646 1 . 1 1 117 117 LYS CB C 117 30.486 30.486 31.825 -1.338 19235 647 1 . 1 1 117 117 LYS H H 117 9.148 9.148 7.648 1.500 19235 648 1 . 1 1 118 118 TRP N N 118 117.603 117.603 119.477 -1.874 19235 649 1 . 1 1 118 118 TRP HA H 118 4.880 4.880 4.171 0.709 19235 650 1 . 1 1 118 118 TRP C C 118 180.118 180.118 178.126 1.992 19235 651 1 . 1 1 118 118 TRP CA C 118 59.768 59.768 59.624 0.144 19235 652 1 . 1 1 118 118 TRP CB C 118 30.516 30.516 28.811 1.706 19235 653 1 . 1 1 118 118 TRP H H 118 9.212 9.212 8.144 1.068 19235 654 1 . 1 1 119 119 ALA N N 119 117.358 117.358 121.734 -4.376 19235 655 1 . 1 1 119 119 ALA HA H 119 3.423 3.423 3.693 -0.270 19235 656 1 . 1 1 119 119 ALA C C 119 179.726 179.726 179.271 0.455 19235 657 1 . 1 1 119 119 ALA CA C 119 55.525 55.525 54.889 0.636 19235 658 1 . 1 1 119 119 ALA CB C 119 18.390 18.390 17.866 0.524 19235 659 1 . 1 1 119 119 ALA H H 119 7.132 7.132 7.501 -0.369 19235 660 1 . 1 1 120 120 VAL N N 120 112.004 112.004 118.760 -6.756 19235 661 1 . 1 1 120 120 VAL H H 120 7.188 7.188 7.493 -0.305 19235 662 1 . 1 1 121 121 PHE HA H 121 5.065 5.065 4.206 0.860 19235 663 1 . 1 1 121 121 PHE C C 121 178.810 178.810 178.354 0.456 19235 664 1 . 1 1 121 121 PHE CA C 121 61.666 61.666 59.820 1.846 19235 665 1 . 1 1 121 121 PHE CB C 121 37.803 37.803 37.606 0.197 19235 666 1 . 1 1 122 122 LEU N N 122 121.854 121.854 119.665 2.189 19235 667 1 . 1 1 122 122 LEU HA H 122 4.001 4.001 3.850 0.150 19235 668 1 . 1 1 122 122 LEU C C 122 180.149 180.149 178.857 1.292 19235 669 1 . 1 1 122 122 LEU CA C 122 57.579 57.579 57.830 -0.251 19235 670 1 . 1 1 122 122 LEU CB C 122 39.674 39.674 41.707 -2.033 19235 671 1 . 1 1 122 122 LEU H H 122 8.598 8.598 8.059 0.539 19235 672 1 . 1 1 123 123 LEU N N 123 120.284 120.284 119.668 0.616 19235 673 1 . 1 1 123 123 LEU HA H 123 4.010 4.010 3.820 0.190 19235 674 1 . 1 1 123 123 LEU C C 123 179.701 179.701 178.797 0.904 19235 675 1 . 1 1 123 123 LEU CA C 123 57.891 57.891 58.321 -0.430 19235 676 1 . 1 1 123 123 LEU CB C 123 40.233 40.233 41.293 -1.060 19235 677 1 . 1 1 123 123 LEU H H 123 8.154 8.154 8.272 -0.118 19235 678 1 . 1 1 124 124 SER N N 124 113.478 113.478 115.036 -1.558 19235 679 1 . 1 1 124 124 SER HA H 124 4.586 4.586 4.157 0.429 19235 680 1 . 1 1 124 124 SER C C 124 177.749 177.749 176.573 1.176 19235 681 1 . 1 1 124 124 SER CA C 124 60.660 60.660 61.504 -0.844 19235 682 1 . 1 1 124 124 SER CB C 124 62.601 62.601 63.246 -0.645 19235 683 1 . 1 1 124 124 SER H H 124 7.537 7.537 8.089 -0.552 19235 684 1 . 1 1 125 125 LEU N N 125 120.955 120.955 122.824 -1.869 19235 685 1 . 1 1 125 125 LEU HA H 125 3.666 3.666 3.516 0.150 19235 686 1 . 1 1 125 125 LEU C C 125 177.940 177.940 177.696 0.244 19235 687 1 . 1 1 125 125 LEU CA C 125 58.522 58.522 57.403 1.118 19235 688 1 . 1 1 125 125 LEU CB C 125 39.723 39.723 41.137 -1.414 19235 689 1 . 1 1 125 125 LEU H H 125 8.021 8.021 7.952 0.069 19235 690 1 . 1 1 126 126 LYS N N 126 118.428 118.428 119.323 -0.895 19235 691 1 . 1 1 126 126 LYS HA H 126 4.571 4.571 3.920 0.651 19235 692 1 . 1 1 126 126 LYS C C 126 178.885 178.885 178.450 0.435 19235 693 1 . 1 1 126 126 LYS CA C 126 60.166 60.166 59.843 0.323 19235 694 1 . 1 1 126 126 LYS CB C 126 33.096 33.096 32.192 0.904 19235 695 1 . 1 1 126 126 LYS H H 126 7.899 7.899 7.969 -0.070 19235 696 1 . 1 1 127 127 ASP N N 127 119.536 119.536 119.748 -0.212 19235 697 1 . 1 1 127 127 ASP HA H 127 4.533 4.533 4.477 0.056 19235 698 1 . 1 1 127 127 ASP C C 127 180.864 180.864 178.518 2.346 19235 699 1 . 1 1 127 127 ASP CA C 127 57.746 57.746 57.130 0.616 19235 700 1 . 1 1 127 127 ASP CB C 127 39.836 39.836 40.407 -0.571 19235 701 1 . 1 1 127 127 ASP H H 127 8.620 8.620 8.037 0.583 19235 702 1 . 1 1 128 128 ALA N N 128 123.280 123.280 122.606 0.674 19235 703 1 . 1 1 128 128 ALA HA H 128 3.727 3.727 4.237 -0.510 19235 704 1 . 1 1 128 128 ALA C C 128 181.336 181.336 179.716 1.621 19235 705 1 . 1 1 128 128 ALA CA C 128 55.520 55.520 55.255 0.265 19235 706 1 . 1 1 128 128 ALA CB C 128 17.148 17.148 18.690 -1.542 19235 707 1 . 1 1 128 128 ALA H H 128 9.439 9.439 8.146 1.293 19235 708 1 . 1 1 129 129 LEU N N 129 115.298 115.298 117.737 -2.439 19235 709 1 . 1 1 129 129 LEU HA H 129 4.205 4.205 4.030 0.175 19235 710 1 . 1 1 129 129 LEU C C 129 179.484 179.484 178.800 0.683 19235 711 1 . 1 1 129 129 LEU CA C 129 55.652 55.652 57.516 -1.864 19235 712 1 . 1 1 129 129 LEU CB C 129 41.519 41.519 41.994 -0.475 19235 713 1 . 1 1 129 129 LEU H H 129 7.664 7.664 7.621 0.043 19235 714 1 . 1 1 130 130 GLU N N 130 117.821 117.821 117.769 0.052 19235 715 1 . 1 1 130 130 GLU HA H 130 4.298 4.298 4.136 0.162 19235 716 1 . 1 1 130 130 GLU C C 130 179.567 179.567 178.115 1.452 19235 717 1 . 1 1 130 130 GLU CA C 130 58.884 58.884 58.676 0.208 19235 718 1 . 1 1 130 130 GLU CB C 130 30.801 30.801 30.359 0.442 19235 719 1 . 1 1 130 130 GLU H H 130 8.605 8.605 7.944 0.661 19235 720 1 . 1 1 131 131 ILE N N 131 112.140 112.140 116.128 -3.988 19235 721 1 . 1 1 131 131 ILE HA H 131 4.714 4.714 4.258 0.457 19235 722 1 . 1 1 131 131 ILE C C 131 178.233 178.233 177.264 0.970 19235 723 1 . 1 1 131 131 ILE CA C 131 60.993 60.993 61.790 -0.797 19235 724 1 . 1 1 131 131 ILE CB C 131 39.576 39.576 39.946 -0.370 19235 725 1 . 1 1 131 131 ILE H H 131 8.552 8.552 7.911 0.641 19235 726 1 . 1 1 132 132 GLY N N 132 108.998 108.998 107.466 1.532 19235 727 1 . 1 1 132 132 GLY C C 132 174.957 174.957 174.691 0.266 19235 728 1 . 1 1 132 132 GLY CA C 132 46.079 46.079 45.094 0.985 19235 729 1 . 1 1 132 132 GLY H H 132 7.269 7.269 8.348 -1.079 19235 730 1 . 1 1 133 133 LYS N N 133 120.920 120.920 120.128 0.792 19235 731 1 . 1 1 133 133 LYS HA H 133 4.652 4.652 4.276 0.376 19235 732 1 . 1 1 133 133 LYS C C 133 175.857 175.857 177.589 -1.732 19235 733 1 . 1 1 133 133 LYS CA C 133 55.761 55.761 56.813 -1.052 19235 734 1 . 1 1 133 133 LYS CB C 133 33.965 33.965 32.933 1.032 19235 735 1 . 1 1 133 133 LYS H H 133 7.024 7.024 7.886 -0.862 19235 stop_ save_