data_18218 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18218 _Entry.PDB_ID 2LON 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 18218 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 116.234 116.234 117.686 -1.452 18218 2 1 1 . 1 1 2 2 SER HA H 2 4.828 4.828 5.121 -0.293 18218 3 1 1 . 1 1 2 2 SER C C 2 171.696 171.696 173.118 -1.422 18218 4 1 1 . 1 1 2 2 SER CA C 2 55.273 55.273 58.465 -3.192 18218 5 1 1 . 1 1 2 2 SER CB C 2 60.624 60.624 64.461 -3.837 18218 6 1 1 . 1 1 2 2 SER H H 2 7.958 7.958 8.641 -0.683 18218 7 1 1 . 1 1 3 3 ALA N N 3 125.895 125.895 124.008 1.887 18218 8 1 1 . 1 1 3 3 ALA C C 3 174.633 174.633 177.056 -2.423 18218 9 1 1 . 1 1 3 3 ALA CA C 3 49.719 49.719 51.796 -2.077 18218 10 1 1 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.264 -3.752 18218 11 1 1 . 1 1 3 3 ALA H H 3 8.273 8.273 8.124 0.149 18218 12 1 1 . 1 1 4 4 ASN N N 4 118.166 118.166 118.182 -0.016 18218 13 1 1 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.424 0.176 18218 14 1 1 . 1 1 4 4 ASN C C 4 172.089 172.089 174.792 -2.703 18218 15 1 1 . 1 1 4 4 ASN CA C 4 50.269 50.269 54.752 -4.483 18218 16 1 1 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.287 -2.716 18218 17 1 1 . 1 1 4 4 ASN H H 4 8.307 8.307 8.781 -0.474 18218 18 1 1 . 1 1 5 5 ARG N N 5 121.553 121.553 118.944 2.609 18218 19 1 1 . 1 1 5 5 ARG HA H 5 4.169 4.169 3.878 0.291 18218 20 1 1 . 1 1 5 5 ARG C C 5 173.013 173.013 174.898 -1.885 18218 21 1 1 . 1 1 5 5 ARG CA C 5 52.814 52.814 57.155 -4.341 18218 22 1 1 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.472 -3.254 18218 23 1 1 . 1 1 5 5 ARG H H 5 8.058 8.058 8.458 -0.400 18218 24 1 1 . 1 1 6 6 ARG N N 6 122.689 122.689 118.108 4.581 18218 25 1 1 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.172 -0.231 18218 26 1 1 . 1 1 6 6 ARG C C 6 173.392 173.392 175.430 -2.038 18218 27 1 1 . 1 1 6 6 ARG CA C 6 52.265 52.265 57.210 -4.945 18218 28 1 1 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.302 -4.096 18218 29 1 1 . 1 1 6 6 ARG H H 6 8.122 8.122 8.491 -0.369 18218 30 1 1 . 1 1 7 7 TRP N N 7 120.901 120.901 121.823 -0.922 18218 31 1 1 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.844 -0.426 18218 32 1 1 . 1 1 7 7 TRP C C 7 172.557 172.557 173.874 -1.317 18218 33 1 1 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.206 -1.685 18218 34 1 1 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.407 -4.328 18218 35 1 1 . 1 1 7 7 TRP H H 7 7.585 7.585 8.234 -0.649 18218 36 1 1 . 1 1 8 8 TRP N N 8 118.192 118.192 122.671 -4.479 18218 37 1 1 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.803 -0.352 18218 38 1 1 . 1 1 8 8 TRP C C 8 171.456 171.456 174.867 -3.411 18218 39 1 1 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.435 -2.493 18218 40 1 1 . 1 1 8 8 TRP CB C 8 25.510 25.510 32.383 -6.873 18218 41 1 1 . 1 1 8 8 TRP H H 8 6.811 6.811 8.298 -1.487 18218 42 1 1 . 1 1 9 9 VAL N N 9 122.005 122.005 125.354 -3.349 18218 43 1 1 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.391 -0.239 18218 44 1 1 . 1 1 9 9 VAL C C 9 170.671 170.671 173.864 -3.193 18218 45 1 1 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.315 -4.232 18218 46 1 1 . 1 1 9 9 VAL CB C 9 29.180 29.180 33.008 -3.828 18218 47 1 1 . 1 1 9 9 VAL H H 9 6.949 6.949 8.553 -1.604 18218 48 1 1 . 1 1 11 11 PRO CA C 11 60.332 60.332 63.627 -3.295 18218 49 1 1 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.006 -2.623 18218 50 1 1 . 1 1 12 12 ASP N N 12 119.443 119.443 120.184 -0.741 18218 51 1 1 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.446 0.078 18218 52 1 1 . 1 1 12 12 ASP C C 12 174.215 174.215 176.052 -1.837 18218 53 1 1 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.252 -3.826 18218 54 1 1 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.391 -4.112 18218 55 1 1 . 1 1 12 12 ASP H H 12 8.241 8.241 8.216 0.025 18218 56 1 1 . 1 1 13 13 ASP N N 13 119.369 119.369 120.896 -1.527 18218 57 1 1 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.434 0.146 18218 58 1 1 . 1 1 13 13 ASP C C 13 175.379 175.379 176.241 -0.862 18218 59 1 1 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.300 -4.193 18218 60 1 1 . 1 1 13 13 ASP CB C 13 37.342 37.342 40.211 -2.869 18218 61 1 1 . 1 1 13 13 ASP H H 13 7.980 7.980 8.662 -0.682 18218 62 1 1 . 1 1 14 14 GLU N N 14 121.036 121.036 122.897 -1.861 18218 63 1 1 . 1 1 14 14 GLU HA H 14 4.160 4.160 3.922 0.238 18218 64 1 1 . 1 1 14 14 GLU C C 14 173.633 173.633 174.944 -1.311 18218 65 1 1 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.424 -3.308 18218 66 1 1 . 1 1 14 14 GLU CB C 14 26.206 26.206 28.640 -2.434 18218 67 1 1 . 1 1 14 14 GLU H H 14 8.197 8.197 8.201 -0.004 18218 68 1 1 . 1 1 15 15 ASP N N 15 120.130 120.130 113.996 6.134 18218 69 1 1 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.302 0.340 18218 70 1 1 . 1 1 15 15 ASP C C 15 173.595 173.595 175.237 -1.642 18218 71 1 1 . 1 1 15 15 ASP CA C 15 51.455 51.455 55.987 -4.532 18218 72 1 1 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.488 -3.019 18218 73 1 1 . 1 1 15 15 ASP H H 15 8.308 8.308 7.914 0.394 18218 74 1 1 . 1 1 16 16 CYS N N 16 118.700 118.700 117.977 0.723 18218 75 1 1 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.585 -0.134 18218 76 1 1 . 1 1 16 16 CYS CA C 16 55.736 55.736 58.990 -3.254 18218 77 1 1 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.826 -4.139 18218 78 1 1 . 1 1 16 16 CYS H H 16 7.968 7.968 8.540 -0.572 18218 79 1 1 . 1 1 17 17 VAL N N 17 123.275 123.275 119.659 3.616 18218 80 1 1 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.133 -0.405 18218 81 1 1 . 1 1 17 17 VAL C C 17 174.430 174.430 176.430 -2.000 18218 82 1 1 . 1 1 17 17 VAL CA C 17 62.504 62.504 64.900 -2.396 18218 83 1 1 . 1 1 17 17 VAL CB C 17 28.231 28.231 31.730 -3.499 18218 84 1 1 . 1 1 17 17 VAL H H 17 8.550 8.550 8.102 0.448 18218 85 1 1 . 1 1 18 18 SER N N 18 116.499 116.499 112.646 3.853 18218 86 1 1 . 1 1 18 18 SER HA H 18 3.822 3.822 4.111 -0.289 18218 87 1 1 . 1 1 18 18 SER CA C 18 58.484 58.484 59.527 -1.043 18218 88 1 1 . 1 1 18 18 SER CB C 18 59.109 59.109 63.290 -4.181 18218 89 1 1 . 1 1 18 18 SER H H 18 8.447 8.447 8.035 0.412 18218 90 1 1 . 1 1 19 19 GLU N N 19 121.940 121.940 122.078 -0.138 18218 91 1 1 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.976 0.034 18218 92 1 1 . 1 1 19 19 GLU C C 19 175.544 175.544 178.455 -2.911 18218 93 1 1 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.941 -4.321 18218 94 1 1 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.578 -4.131 18218 95 1 1 . 1 1 19 19 GLU H H 19 7.686 7.686 8.837 -1.151 18218 96 1 1 . 1 1 20 20 LYS N N 20 119.855 119.855 120.003 -0.148 18218 97 1 1 . 1 1 20 20 LYS HA H 20 3.920 3.920 3.992 -0.072 18218 98 1 1 . 1 1 20 20 LYS C C 20 173.696 173.696 179.097 -5.401 18218 99 1 1 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.405 -3.351 18218 100 1 1 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.006 -3.079 18218 101 1 1 . 1 1 20 20 LYS H H 20 7.898 7.898 7.825 0.073 18218 102 1 1 . 1 1 21 21 LEU N N 21 119.542 119.542 119.872 -0.330 18218 103 1 1 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.133 -0.092 18218 104 1 1 . 1 1 21 21 LEU CA C 21 54.347 54.347 56.981 -2.634 18218 105 1 1 . 1 1 21 21 LEU CB C 21 38.418 38.418 40.989 -2.571 18218 106 1 1 . 1 1 21 21 LEU H H 21 8.056 8.056 8.003 0.053 18218 107 1 1 . 1 1 22 22 LEU N N 22 120.384 120.384 120.905 -0.521 18218 108 1 1 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.953 0.097 18218 109 1 1 . 1 1 22 22 LEU CA C 22 54.347 54.347 57.988 -3.641 18218 110 1 1 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.958 -4.046 18218 111 1 1 . 1 1 22 22 LEU H H 22 8.097 8.097 8.383 -0.286 18218 112 1 1 . 1 1 23 23 ARG N N 23 119.486 119.486 115.542 3.944 18218 113 1 1 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.097 -0.102 18218 114 1 1 . 1 1 23 23 ARG C C 23 175.443 175.443 177.374 -1.931 18218 115 1 1 . 1 1 23 23 ARG CA C 23 55.822 55.822 57.845 -2.023 18218 116 1 1 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.081 -3.749 18218 117 1 1 . 1 1 23 23 ARG H H 23 8.032 8.032 8.055 -0.023 18218 118 1 1 . 1 1 24 24 LYS N N 24 119.009 119.009 118.196 0.813 18218 119 1 1 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.063 0.077 18218 120 1 1 . 1 1 24 24 LYS C C 24 175.633 175.633 177.139 -1.506 18218 121 1 1 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.714 -3.991 18218 122 1 1 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.681 -4.071 18218 123 1 1 . 1 1 24 24 LYS H H 24 7.860 7.860 8.123 -0.263 18218 124 1 1 . 1 1 25 25 THR N N 25 112.776 112.776 111.644 1.132 18218 125 1 1 . 1 1 25 25 THR HA H 25 4.005 4.005 4.168 -0.163 18218 126 1 1 . 1 1 25 25 THR C C 25 172.646 172.646 175.322 -2.676 18218 127 1 1 . 1 1 25 25 THR CA C 25 61.810 61.810 62.694 -0.884 18218 128 1 1 . 1 1 25 25 THR CB C 25 65.753 65.753 69.305 -3.552 18218 129 1 1 . 1 1 25 25 THR H H 25 7.867 7.867 7.891 -0.024 18218 130 1 1 . 1 1 26 26 ARG N N 26 119.996 119.996 120.086 -0.090 18218 131 1 1 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.312 -0.165 18218 132 1 1 . 1 1 26 26 ARG C C 26 174.278 174.278 175.108 -0.830 18218 133 1 1 . 1 1 26 26 ARG CA C 26 54.347 54.347 57.486 -3.139 18218 134 1 1 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.753 -3.725 18218 135 1 1 . 1 1 26 26 ARG H H 26 7.765 7.765 8.643 -0.878 18218 136 1 1 . 1 1 27 27 GLU N N 27 118.067 118.067 118.230 -0.163 18218 137 1 1 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.303 -0.016 18218 138 1 1 . 1 1 27 27 GLU C C 27 173.582 173.582 176.050 -2.468 18218 139 1 1 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.156 -2.792 18218 140 1 1 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.415 -3.209 18218 141 1 1 . 1 1 27 27 GLU H H 27 7.764 7.764 8.481 -0.717 18218 142 1 1 . 1 1 28 28 SER N N 28 115.900 115.900 118.997 -3.097 18218 143 1 1 . 1 1 28 28 SER HA H 28 4.740 4.740 4.439 0.301 18218 144 1 1 . 1 1 28 28 SER C C 28 170.481 170.481 173.671 -3.190 18218 145 1 1 . 1 1 28 28 SER CA C 28 53.132 53.132 58.084 -4.952 18218 146 1 1 . 1 1 28 28 SER CB C 28 60.624 60.624 63.516 -2.892 18218 147 1 1 . 1 1 28 28 SER H H 28 7.630 7.630 8.137 -0.507 18218 148 1 1 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.605 -0.069 18218 149 1 1 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.663 -2.372 18218 150 1 1 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.464 -3.017 18218 151 1 1 . 1 1 30 30 LEU N N 30 120.365 120.365 119.588 0.777 18218 152 1 1 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.400 -0.191 18218 153 1 1 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.256 -3.500 18218 154 1 1 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.301 -3.377 18218 155 1 1 . 1 1 30 30 LEU H H 30 8.034 8.034 8.247 -0.213 18218 156 1 1 . 1 1 31 31 VAL N N 31 117.988 117.988 120.861 -2.873 18218 157 1 1 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.807 0.426 18218 158 1 1 . 1 1 31 31 VAL C C 31 171.899 171.899 175.583 -3.684 18218 159 1 1 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.361 -10.774 18218 160 1 1 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.628 -0.918 18218 161 1 1 . 1 1 31 31 VAL H H 31 7.499 7.499 8.316 -0.817 18218 162 1 1 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.329 0.208 18218 163 1 1 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.742 -5.646 18218 164 1 1 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.229 -3.479 18218 165 1 1 . 1 1 33 33 ILE N N 33 121.507 121.507 119.161 2.346 18218 166 1 1 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.584 0.335 18218 167 1 1 . 1 1 33 33 ILE C C 33 173.025 173.025 178.293 -5.268 18218 168 1 1 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.969 -5.097 18218 169 1 1 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.587 -3.092 18218 170 1 1 . 1 1 33 33 ILE H H 33 7.982 7.982 7.924 0.058 18218 171 1 1 . 1 1 34 34 GLY N N 34 111.381 111.381 107.053 4.328 18218 172 1 1 . 1 1 34 34 GLY C C 34 172.987 172.987 175.753 -2.766 18218 173 1 1 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.922 -3.914 18218 174 1 1 . 1 1 34 34 GLY H H 34 8.540 8.540 8.515 0.025 18218 175 1 1 . 1 1 35 35 LEU N N 35 122.626 122.626 123.889 -1.263 18218 176 1 1 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.916 0.333 18218 177 1 1 . 1 1 35 35 LEU C C 35 175.637 175.637 178.797 -3.160 18218 178 1 1 . 1 1 35 35 LEU CA C 35 54.232 54.232 58.187 -3.954 18218 179 1 1 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.731 -3.123 18218 180 1 1 . 1 1 35 35 LEU H H 35 7.964 7.964 7.807 0.157 18218 181 1 1 . 1 1 36 36 GLY N N 36 106.708 106.708 105.822 0.886 18218 182 1 1 . 1 1 36 36 GLY C C 36 172.647 172.647 176.156 -3.509 18218 183 1 1 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.466 -3.040 18218 184 1 1 . 1 1 36 36 GLY H H 36 8.521 8.521 8.569 -0.048 18218 185 1 1 . 1 1 37 37 GLY N N 37 108.586 108.586 107.714 0.872 18218 186 1 1 . 1 1 37 37 GLY C C 37 173.291 173.291 176.054 -2.763 18218 187 1 1 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.707 -2.571 18218 188 1 1 . 1 1 37 37 GLY H H 37 8.270 8.270 8.429 -0.159 18218 189 1 1 . 1 1 38 38 CYS N N 38 119.678 119.678 121.529 -1.851 18218 190 1 1 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.313 -0.069 18218 191 1 1 . 1 1 38 38 CYS C C 38 174.215 174.215 176.354 -2.139 18218 192 1 1 . 1 1 38 38 CYS CA C 38 59.236 59.236 63.416 -4.180 18218 193 1 1 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.581 -4.222 18218 194 1 1 . 1 1 38 38 CYS H H 38 7.836 7.836 7.954 -0.118 18218 195 1 1 . 1 1 39 39 LEU N N 39 120.798 120.798 122.432 -1.634 18218 196 1 1 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.091 0.022 18218 197 1 1 . 1 1 39 39 LEU C C 39 175.506 175.506 178.779 -3.273 18218 198 1 1 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.412 -3.544 18218 199 1 1 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.994 -4.145 18218 200 1 1 . 1 1 39 39 LEU H H 39 7.999 7.999 8.157 -0.158 18218 201 1 1 . 1 1 40 40 VAL N N 40 118.510 118.510 119.217 -0.707 18218 202 1 1 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.672 -0.076 18218 203 1 1 . 1 1 40 40 VAL C C 40 174.544 174.544 177.954 -3.410 18218 204 1 1 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.733 -3.014 18218 205 1 1 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.978 -3.064 18218 206 1 1 . 1 1 40 40 VAL H H 40 7.803 7.803 8.173 -0.370 18218 207 1 1 . 1 1 41 41 VAL N N 41 119.131 119.131 120.622 -1.491 18218 208 1 1 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.581 0.111 18218 209 1 1 . 1 1 41 41 VAL C C 41 175.924 175.924 177.974 -2.050 18218 210 1 1 . 1 1 41 41 VAL CA C 41 63.459 63.459 67.187 -3.728 18218 211 1 1 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.395 -3.354 18218 212 1 1 . 1 1 41 41 VAL H H 41 7.624 7.624 8.314 -0.690 18218 213 1 1 . 1 1 42 42 ALA N N 42 122.172 122.172 120.993 1.179 18218 214 1 1 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.811 0.294 18218 215 1 1 . 1 1 42 42 ALA C C 42 176.582 176.582 179.194 -2.612 18218 216 1 1 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.336 -3.071 18218 217 1 1 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.767 -2.887 18218 218 1 1 . 1 1 42 42 ALA H H 42 8.008 8.008 8.141 -0.133 18218 219 1 1 . 1 1 43 43 ALA N N 43 119.990 119.990 122.048 -2.058 18218 220 1 1 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.053 -0.062 18218 221 1 1 . 1 1 43 43 ALA C C 43 176.455 176.455 179.426 -2.971 18218 222 1 1 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.047 -2.754 18218 223 1 1 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.079 -3.199 18218 224 1 1 . 1 1 43 43 ALA H H 43 8.400 8.400 7.770 0.630 18218 225 1 1 . 1 1 44 44 TYR N N 44 118.221 118.221 120.246 -2.025 18218 226 1 1 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.116 0.103 18218 227 1 1 . 1 1 44 44 TYR C C 44 175.177 175.177 177.870 -2.693 18218 228 1 1 . 1 1 44 44 TYR CA C 44 58.281 58.281 59.819 -1.538 18218 229 1 1 . 1 1 44 44 TYR CB C 44 34.622 34.622 37.988 -3.366 18218 230 1 1 . 1 1 44 44 TYR H H 44 8.345 8.345 8.511 -0.166 18218 231 1 1 . 1 1 45 45 ARG N N 45 119.104 119.104 119.973 -0.869 18218 232 1 1 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.527 0.306 18218 233 1 1 . 1 1 45 45 ARG C C 45 176.531 176.531 178.443 -1.912 18218 234 1 1 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.772 -3.342 18218 235 1 1 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.346 -4.140 18218 236 1 1 . 1 1 45 45 ARG H H 45 8.275 8.275 8.110 0.165 18218 237 1 1 . 1 1 46 46 ILE N N 46 119.719 119.719 118.212 1.507 18218 238 1 1 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.597 0.104 18218 239 1 1 . 1 1 46 46 ILE C C 46 174.873 174.873 177.846 -2.973 18218 240 1 1 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.017 -3.583 18218 241 1 1 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.249 -3.388 18218 242 1 1 . 1 1 46 46 ILE H H 46 8.119 8.119 8.440 -0.321 18218 243 1 1 . 1 1 47 47 TYR N N 47 121.419 121.419 121.370 0.049 18218 244 1 1 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.067 -0.085 18218 245 1 1 . 1 1 47 47 TYR C C 47 175.544 175.544 177.594 -2.050 18218 246 1 1 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.258 -3.659 18218 247 1 1 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.352 -3.477 18218 248 1 1 . 1 1 47 47 TYR H H 47 8.383 8.383 8.155 0.228 18218 249 1 1 . 1 1 48 48 ARG N N 48 118.278 118.278 119.015 -0.737 18218 250 1 1 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.069 -0.377 18218 251 1 1 . 1 1 48 48 ARG C C 48 175.671 175.671 178.459 -2.788 18218 252 1 1 . 1 1 48 48 ARG CA C 48 54.955 54.955 59.252 -4.297 18218 253 1 1 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.309 -4.356 18218 254 1 1 . 1 1 48 48 ARG H H 48 8.074 8.074 7.960 0.114 18218 255 1 1 . 1 1 49 49 LEU N N 49 120.350 120.350 118.806 1.544 18218 256 1 1 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.110 0.038 18218 257 1 1 . 1 1 49 49 LEU C C 49 175.772 175.772 177.547 -1.775 18218 258 1 1 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.264 -3.756 18218 259 1 1 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.306 -3.825 18218 260 1 1 . 1 1 49 49 LEU H H 49 7.744 7.744 8.161 -0.417 18218 261 1 1 . 1 1 50 50 ARG N N 50 117.990 117.990 118.553 -0.563 18218 262 1 1 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.292 -0.138 18218 263 1 1 . 1 1 50 50 ARG C C 50 174.139 174.139 175.841 -1.702 18218 264 1 1 . 1 1 50 50 ARG CA C 50 54.058 54.058 56.109 -2.051 18218 265 1 1 . 1 1 50 50 ARG CB C 50 26.206 26.206 31.105 -4.899 18218 266 1 1 . 1 1 50 50 ARG H H 50 7.686 7.686 8.018 -0.332 18218 267 1 1 . 1 1 51 51 SER N N 51 115.124 115.124 116.662 -1.538 18218 268 1 1 . 1 1 51 51 SER HA H 51 4.274 4.274 4.635 -0.361 18218 269 1 1 . 1 1 51 51 SER C C 51 172.392 172.392 173.860 -1.468 18218 270 1 1 . 1 1 51 51 SER CA C 51 56.112 56.112 57.480 -1.368 18218 271 1 1 . 1 1 51 51 SER CB C 51 60.075 60.075 61.975 -1.901 18218 272 1 1 . 1 1 51 51 SER H H 51 7.873 7.873 8.554 -0.681 18218 273 1 1 . 1 1 52 52 ARG N N 52 122.132 122.132 125.214 -3.082 18218 274 1 1 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.614 -0.338 18218 275 1 1 . 1 1 52 52 ARG C C 52 174.316 174.316 176.082 -1.766 18218 276 1 1 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.116 -1.694 18218 277 1 1 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.470 -5.138 18218 278 1 1 . 1 1 52 52 ARG H H 52 7.923 7.923 8.062 -0.139 18218 279 1 1 . 1 1 53 53 GLY N N 53 108.907 108.907 110.155 -1.248 18218 280 1 1 . 1 1 53 53 GLY C C 53 171.405 171.405 174.101 -2.696 18218 281 1 1 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.854 -2.395 18218 282 1 1 . 1 1 53 53 GLY H H 53 8.142 8.142 8.642 -0.500 18218 283 1 1 . 1 1 54 54 SER N N 54 115.609 115.609 115.398 0.211 18218 284 1 1 . 1 1 54 54 SER HA H 54 4.470 4.470 4.244 0.226 18218 285 1 1 . 1 1 54 54 SER C C 54 172.367 172.367 174.245 -1.878 18218 286 1 1 . 1 1 54 54 SER CA C 54 55.504 55.504 59.372 -3.868 18218 287 1 1 . 1 1 54 54 SER CB C 54 60.537 60.537 62.594 -2.057 18218 288 1 1 . 1 1 54 54 SER H H 54 8.042 8.042 8.404 -0.362 18218 289 1 1 . 1 1 55 55 THR N N 55 117.148 117.148 116.884 0.264 18218 290 1 1 . 1 1 55 55 THR HA H 55 4.244 4.244 4.346 -0.102 18218 291 1 1 . 1 1 55 55 THR C C 55 171.785 171.785 173.911 -2.126 18218 292 1 1 . 1 1 55 55 THR CA C 55 59.612 59.612 62.873 -3.261 18218 293 1 1 . 1 1 55 55 THR CB C 55 66.322 66.322 69.583 -3.261 18218 294 1 1 . 1 1 55 55 THR H H 55 8.123 8.123 8.029 0.094 18218 295 1 1 . 1 1 56 56 LYS N N 56 123.462 123.462 119.966 3.496 18218 296 1 1 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.074 0.170 18218 297 1 1 . 1 1 56 56 LYS C C 56 173.848 173.848 175.352 -1.504 18218 298 1 1 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.105 -3.539 18218 299 1 1 . 1 1 56 56 LYS CB C 56 29.117 29.117 31.461 -2.344 18218 300 1 1 . 1 1 56 56 LYS H H 56 8.184 8.184 8.335 -0.151 18218 301 1 1 . 1 1 57 57 MET N N 57 121.145 121.145 119.422 1.723 18218 302 1 1 . 1 1 57 57 MET HA H 57 4.425 4.425 4.500 -0.075 18218 303 1 1 . 1 1 57 57 MET C C 57 172.835 172.835 174.299 -1.464 18218 304 1 1 . 1 1 57 57 MET CA C 57 52.930 52.930 55.767 -2.837 18218 305 1 1 . 1 1 57 57 MET CB C 57 29.876 29.876 33.226 -3.350 18218 306 1 1 . 1 1 57 57 MET H H 57 8.153 8.153 8.260 -0.107 18218 307 1 1 . 1 1 58 58 SER N N 58 116.811 116.811 116.539 0.272 18218 308 1 1 . 1 1 58 58 SER HA H 58 4.470 4.470 4.663 -0.193 18218 309 1 1 . 1 1 58 58 SER C C 58 171.620 171.620 174.017 -2.397 18218 310 1 1 . 1 1 58 58 SER CA C 58 55.041 55.041 57.891 -2.850 18218 311 1 1 . 1 1 58 58 SER CB C 58 60.653 60.653 63.652 -2.999 18218 312 1 1 . 1 1 58 58 SER H H 58 7.895 7.895 7.830 0.065 18218 313 1 1 . 1 1 59 59 ILE N N 59 122.346 122.346 118.562 3.784 18218 314 1 1 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.500 -0.510 18218 315 1 1 . 1 1 59 59 ILE C C 59 173.127 173.127 175.759 -2.632 18218 316 1 1 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.402 -2.860 18218 317 1 1 . 1 1 59 59 ILE CB C 59 34.938 34.938 37.994 -3.056 18218 318 1 1 . 1 1 59 59 ILE H H 59 8.110 8.110 8.228 -0.118 18218 319 1 1 . 1 1 60 60 HIS N N 60 121.006 121.006 121.790 -0.784 18218 320 1 1 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.739 -0.725 18218 321 1 1 . 1 1 60 60 HIS C C 60 172.443 172.443 174.946 -2.503 18218 322 1 1 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.067 -2.703 18218 323 1 1 . 1 1 60 60 HIS CB C 60 25.510 25.510 31.044 -5.534 18218 324 1 1 . 1 1 60 60 HIS H H 60 8.235 8.235 8.155 0.080 18218 325 1 1 . 1 1 61 61 LEU N N 61 120.472 120.472 120.548 -0.076 18218 326 1 1 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.191 -0.002 18218 327 1 1 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.489 -2.299 18218 328 1 1 . 1 1 61 61 LEU CB C 61 38.864 38.864 41.819 -2.954 18218 329 1 1 . 1 1 61 61 LEU H H 61 8.045 8.045 8.319 -0.274 18218 330 1 1 . 1 1 62 62 ILE N N 62 117.281 117.281 119.195 -1.914 18218 331 1 1 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.211 -0.314 18218 332 1 1 . 1 1 62 62 ILE CA C 62 59.149 59.149 61.963 -2.814 18218 333 1 1 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.799 -4.367 18218 334 1 1 . 1 1 62 62 ILE H H 62 7.555 7.555 7.685 -0.130 18218 335 1 1 . 1 1 63 63 HIS N N 63 119.488 119.488 121.773 -2.285 18218 336 1 1 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.766 -0.129 18218 337 1 1 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.075 -3.637 18218 338 1 1 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.073 -3.943 18218 339 1 1 . 1 1 63 63 HIS H H 63 8.179 8.179 8.631 -0.452 18218 340 1 1 . 1 1 64 64 THR N N 64 112.132 112.132 114.733 -2.601 18218 341 1 1 . 1 1 64 64 THR HA H 64 4.296 4.296 4.715 -0.419 18218 342 1 1 . 1 1 64 64 THR C C 64 175.063 175.063 174.222 0.841 18218 343 1 1 . 1 1 64 64 THR CA C 64 58.802 58.802 61.418 -2.616 18218 344 1 1 . 1 1 64 64 THR CB C 64 67.588 67.588 71.391 -3.803 18218 345 1 1 . 1 1 64 64 THR H H 64 7.576 7.576 7.738 -0.162 18218 346 1 1 . 1 1 65 65 ARG N N 65 123.493 123.493 119.028 4.465 18218 347 1 1 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.436 -0.140 18218 348 1 1 . 1 1 65 65 ARG C C 65 175.633 175.633 177.999 -2.366 18218 349 1 1 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.719 -1.388 18218 350 1 1 . 1 1 65 65 ARG CB C 65 26.143 26.143 31.140 -4.997 18218 351 1 1 . 1 1 65 65 ARG H H 65 8.713 8.713 8.418 0.295 18218 352 1 1 . 1 1 66 66 VAL N N 66 117.974 117.974 120.467 -2.493 18218 353 1 1 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.877 0.120 18218 354 1 1 . 1 1 66 66 VAL C C 66 174.215 174.215 176.968 -2.753 18218 355 1 1 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.193 -3.499 18218 356 1 1 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.326 -3.285 18218 357 1 1 . 1 1 66 66 VAL H H 66 7.987 7.987 8.195 -0.208 18218 358 1 1 . 1 1 67 67 ALA N N 67 123.016 123.016 122.943 0.073 18218 359 1 1 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.025 -0.025 18218 360 1 1 . 1 1 67 67 ALA C C 67 175.367 175.367 179.197 -3.830 18218 361 1 1 . 1 1 67 67 ALA CA C 67 52.120 52.120 54.978 -2.858 18218 362 1 1 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.088 -3.335 18218 363 1 1 . 1 1 67 67 ALA H H 67 7.645 7.645 8.303 -0.658 18218 364 1 1 . 1 1 68 68 ALA N N 68 120.682 120.682 121.078 -0.396 18218 365 1 1 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.824 0.355 18218 366 1 1 . 1 1 68 68 ALA C C 68 178.354 178.354 179.432 -1.078 18218 367 1 1 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.961 -2.812 18218 368 1 1 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.987 -3.234 18218 369 1 1 . 1 1 68 68 ALA H H 68 7.931 7.931 8.040 -0.109 18218 370 1 1 . 1 1 69 69 GLN N N 69 119.129 119.129 118.390 0.739 18218 371 1 1 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.914 0.362 18218 372 1 1 . 1 1 69 69 GLN C C 69 175.430 175.430 178.199 -2.769 18218 373 1 1 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.977 -3.704 18218 374 1 1 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.724 -3.594 18218 375 1 1 . 1 1 69 69 GLN H H 69 8.213 8.213 8.054 0.159 18218 376 1 1 . 1 1 70 70 ALA N N 70 122.065 122.065 121.485 0.580 18218 377 1 1 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.713 0.287 18218 378 1 1 . 1 1 70 70 ALA C C 70 176.734 176.734 178.937 -2.203 18218 379 1 1 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.364 -2.215 18218 380 1 1 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.083 -2.330 18218 381 1 1 . 1 1 70 70 ALA H H 70 8.397 8.397 7.828 0.569 18218 382 1 1 . 1 1 71 71 CYS N N 71 115.893 115.893 117.485 -1.592 18218 383 1 1 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.096 -0.043 18218 384 1 1 . 1 1 71 71 CYS C C 71 173.696 173.696 176.897 -3.201 18218 385 1 1 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.953 -3.502 18218 386 1 1 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.651 -4.166 18218 387 1 1 . 1 1 71 71 CYS H H 71 8.169 8.169 7.769 0.400 18218 388 1 1 . 1 1 72 72 ALA N N 72 122.868 122.868 122.661 0.207 18218 389 1 1 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.899 0.361 18218 390 1 1 . 1 1 72 72 ALA C C 72 177.886 177.886 178.978 -1.092 18218 391 1 1 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.476 -3.443 18218 392 1 1 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.858 -3.105 18218 393 1 1 . 1 1 72 72 ALA H H 72 7.742 7.742 8.353 -0.611 18218 394 1 1 . 1 1 73 73 VAL N N 73 118.066 118.066 118.262 -0.196 18218 395 1 1 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.563 0.213 18218 396 1 1 . 1 1 73 73 VAL C C 73 175.696 175.696 178.439 -2.743 18218 397 1 1 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.315 -2.666 18218 398 1 1 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.429 -2.325 18218 399 1 1 . 1 1 73 73 VAL H H 73 8.050 8.050 8.400 -0.350 18218 400 1 1 . 1 1 74 74 GLY N N 74 109.146 109.146 107.004 2.142 18218 401 1 1 . 1 1 74 74 GLY C C 74 171.962 171.962 175.818 -3.856 18218 402 1 1 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.481 -2.911 18218 403 1 1 . 1 1 74 74 GLY H H 74 8.648 8.648 7.906 0.742 18218 404 1 1 . 1 1 75 75 ALA N N 75 123.035 123.035 125.022 -1.987 18218 405 1 1 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.020 0.069 18218 406 1 1 . 1 1 75 75 ALA C C 75 178.253 178.253 179.658 -1.405 18218 407 1 1 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.887 -2.449 18218 408 1 1 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.359 -3.669 18218 409 1 1 . 1 1 75 75 ALA H H 75 8.213 8.213 7.897 0.316 18218 410 1 1 . 1 1 76 76 ILE N N 76 120.121 120.121 119.430 0.691 18218 411 1 1 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.523 0.306 18218 412 1 1 . 1 1 76 76 ILE C C 76 176.506 176.506 177.851 -1.345 18218 413 1 1 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.557 -4.239 18218 414 1 1 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.764 -3.396 18218 415 1 1 . 1 1 76 76 ILE H H 76 7.523 7.523 8.148 -0.625 18218 416 1 1 . 1 1 77 77 MET N N 77 120.468 120.468 118.633 1.835 18218 417 1 1 . 1 1 77 77 MET HA H 77 4.116 4.116 3.938 0.178 18218 418 1 1 . 1 1 77 77 MET C C 77 175.038 175.038 178.242 -3.204 18218 419 1 1 . 1 1 77 77 MET CA C 77 56.314 56.314 59.503 -3.189 18218 420 1 1 . 1 1 77 77 MET CB C 77 34.242 34.242 32.340 1.903 18218 421 1 1 . 1 1 77 77 MET H H 77 8.239 8.239 8.132 0.107 18218 422 1 1 . 1 1 78 78 LEU N N 78 119.389 119.389 118.969 0.420 18218 423 1 1 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.785 0.179 18218 424 1 1 . 1 1 78 78 LEU C C 78 176.202 176.202 178.627 -2.425 18218 425 1 1 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.146 -3.278 18218 426 1 1 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.691 -3.906 18218 427 1 1 . 1 1 78 78 LEU H H 78 8.571 8.571 8.249 0.322 18218 428 1 1 . 1 1 79 79 GLY N N 79 105.857 105.857 106.081 -0.224 18218 429 1 1 . 1 1 79 79 GLY C C 79 173.861 173.861 175.710 -1.849 18218 430 1 1 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.571 -3.319 18218 431 1 1 . 1 1 79 79 GLY H H 79 8.006 8.006 8.352 -0.346 18218 432 1 1 . 1 1 80 80 ALA N N 80 125.631 125.631 124.911 0.720 18218 433 1 1 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.042 0.253 18218 434 1 1 . 1 1 80 80 ALA C C 80 177.544 177.544 179.840 -2.296 18218 435 1 1 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.127 -3.123 18218 436 1 1 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.316 -3.626 18218 437 1 1 . 1 1 80 80 ALA H H 80 7.971 7.971 8.262 -0.291 18218 438 1 1 . 1 1 81 81 VAL N N 81 118.858 118.858 119.629 -0.771 18218 439 1 1 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.616 0.124 18218 440 1 1 . 1 1 81 81 VAL C C 81 174.974 174.974 177.873 -2.899 18218 441 1 1 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.949 -2.635 18218 442 1 1 . 1 1 81 81 VAL CB C 81 27.788 27.788 30.868 -3.080 18218 443 1 1 . 1 1 81 81 VAL H H 81 8.206 8.206 8.385 -0.179 18218 444 1 1 . 1 1 82 82 TYR N N 82 121.151 121.151 119.955 1.196 18218 445 1 1 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.912 0.365 18218 446 1 1 . 1 1 82 82 TYR C C 82 176.038 176.038 177.684 -1.646 18218 447 1 1 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.990 -3.188 18218 448 1 1 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.870 -3.438 18218 449 1 1 . 1 1 82 82 TYR H H 82 8.614 8.614 8.742 -0.128 18218 450 1 1 . 1 1 83 83 THR N N 83 118.253 118.253 114.450 3.803 18218 451 1 1 . 1 1 83 83 THR HA H 83 4.340 4.340 3.642 0.698 18218 452 1 1 . 1 1 83 83 THR CA C 83 63.980 63.980 66.868 -2.888 18218 453 1 1 . 1 1 83 83 THR CB C 83 65.437 65.437 68.417 -2.980 18218 454 1 1 . 1 1 83 83 THR H H 83 8.361 8.361 8.570 -0.209 18218 455 1 1 . 1 1 84 84 MET N N 84 121.616 121.616 120.688 0.928 18218 456 1 1 . 1 1 84 84 MET C C 84 175.949 175.949 177.961 -2.012 18218 457 1 1 . 1 1 84 84 MET CA C 84 56.603 56.603 57.441 -0.838 18218 458 1 1 . 1 1 84 84 MET CB C 84 29.180 29.180 31.224 -2.044 18218 459 1 1 . 1 1 84 84 MET H H 84 8.053 8.053 8.195 -0.142 18218 460 1 1 . 1 1 85 85 TYR N N 85 120.690 120.690 119.697 0.993 18218 461 1 1 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.001 0.169 18218 462 1 1 . 1 1 85 85 TYR C C 85 173.709 173.709 178.133 -4.424 18218 463 1 1 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.550 -3.066 18218 464 1 1 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.081 -3.143 18218 465 1 1 . 1 1 85 85 TYR H H 85 8.543 8.543 8.512 0.031 18218 466 1 1 . 1 1 86 86 SER N N 86 115.536 115.536 112.604 2.932 18218 467 1 1 . 1 1 86 86 SER HA H 86 3.802 3.802 4.220 -0.418 18218 468 1 1 . 1 1 86 86 SER C C 86 174.709 174.709 176.389 -1.680 18218 469 1 1 . 1 1 86 86 SER CA C 86 58.542 58.542 61.833 -3.291 18218 470 1 1 . 1 1 86 86 SER CB C 86 59.243 59.243 63.330 -4.087 18218 471 1 1 . 1 1 86 86 SER H H 86 8.422 8.422 8.221 0.201 18218 472 1 1 . 1 1 87 87 ASP N N 87 121.132 121.132 122.438 -1.306 18218 473 1 1 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.321 0.028 18218 474 1 1 . 1 1 87 87 ASP C C 87 175.177 175.177 178.096 -2.919 18218 475 1 1 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.878 -3.109 18218 476 1 1 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.252 -3.922 18218 477 1 1 . 1 1 87 87 ASP H H 87 8.295 8.295 8.073 0.222 18218 478 1 1 . 1 1 88 88 TYR N N 88 122.430 122.430 119.508 2.922 18218 479 1 1 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.059 0.057 18218 480 1 1 . 1 1 88 88 TYR C C 88 174.772 174.772 176.202 -1.430 18218 481 1 1 . 1 1 88 88 TYR CA C 88 58.542 58.542 59.960 -1.418 18218 482 1 1 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.306 -3.178 18218 483 1 1 . 1 1 88 88 TYR H H 88 7.919 7.919 7.948 -0.029 18218 484 1 1 . 1 1 89 89 VAL N N 89 118.321 118.321 118.033 0.288 18218 485 1 1 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.619 -0.193 18218 486 1 1 . 1 1 89 89 VAL C C 89 176.101 176.101 177.492 -1.391 18218 487 1 1 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.653 -0.859 18218 488 1 1 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.990 -4.139 18218 489 1 1 . 1 1 89 89 VAL H H 89 8.121 8.121 7.688 0.433 18218 490 1 1 . 1 1 90 90 LYS N N 90 120.272 120.272 121.671 -1.399 18218 491 1 1 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.903 0.106 18218 492 1 1 . 1 1 90 90 LYS C C 90 176.126 176.126 176.740 -0.614 18218 493 1 1 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.853 -3.002 18218 494 1 1 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.638 -4.027 18218 495 1 1 . 1 1 90 90 LYS H H 90 7.708 7.708 8.603 -0.895 18218 496 1 1 . 1 1 91 91 ARG N N 91 119.904 119.904 114.963 4.941 18218 497 1 1 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.287 -0.259 18218 498 1 1 . 1 1 91 91 ARG C C 91 175.544 175.544 175.031 0.513 18218 499 1 1 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.935 -0.749 18218 500 1 1 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.875 -4.606 18218 501 1 1 . 1 1 91 91 ARG H H 91 7.685 7.685 7.853 -0.168 18218 502 1 1 . 1 1 92 92 MET N N 92 118.654 118.654 119.784 -1.130 18218 503 1 1 . 1 1 92 92 MET HA H 92 4.248 4.248 4.568 -0.320 18218 504 1 1 . 1 1 92 92 MET C C 92 174.810 174.810 174.812 -0.002 18218 505 1 1 . 1 1 92 92 MET CA C 92 53.508 53.508 55.323 -1.815 18218 506 1 1 . 1 1 92 92 MET CB C 92 26.016 26.016 34.950 -8.934 18218 507 1 1 . 1 1 92 92 MET H H 92 7.790 7.790 7.647 0.143 18218 508 1 1 . 1 1 93 93 ALA N N 93 122.890 122.890 123.206 -0.316 18218 509 1 1 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.123 0.088 18218 510 1 1 . 1 1 93 93 ALA C C 93 175.633 175.633 176.367 -0.734 18218 511 1 1 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.282 -2.360 18218 512 1 1 . 1 1 93 93 ALA CB C 93 15.259 15.259 18.046 -2.787 18218 513 1 1 . 1 1 93 93 ALA H H 93 7.648 7.648 8.422 -0.774 18218 514 1 1 . 1 1 94 94 GLN N N 94 119.315 119.315 120.424 -1.109 18218 515 1 1 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.294 -0.095 18218 516 1 1 . 1 1 94 94 GLN C C 94 173.676 173.676 175.071 -1.395 18218 517 1 1 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.602 -2.238 18218 518 1 1 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.205 -2.315 18218 519 1 1 . 1 1 94 94 GLN H H 94 7.887 7.887 8.359 -0.472 18218 520 1 1 . 1 1 95 95 ASP N N 95 121.546 121.546 126.128 -4.582 18218 521 1 1 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.773 -0.213 18218 522 1 1 . 1 1 95 95 ASP CA C 95 51.484 51.484 53.186 -1.702 18218 523 1 1 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.508 -2.787 18218 524 1 1 . 1 1 95 95 ASP H H 95 8.199 8.199 8.098 0.101 18218 525 1 1 . 1 1 96 96 ALA N N 96 125.033 125.033 123.357 1.676 18218 526 1 1 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.424 -0.169 18218 527 1 1 . 1 1 96 96 ALA C C 96 175.645 175.645 177.611 -1.966 18218 528 1 1 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.103 -2.326 18218 529 1 1 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.763 -4.187 18218 530 1 1 . 1 1 96 96 ALA H H 96 8.062 8.062 7.769 0.293 18218 531 1 1 . 1 1 97 97 GLY N N 97 108.048 108.048 107.582 0.466 18218 532 1 1 . 1 1 97 97 GLY C C 97 171.418 171.418 173.398 -1.980 18218 533 1 1 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.566 -2.426 18218 534 1 1 . 1 1 97 97 GLY H H 97 8.196 8.196 8.096 0.100 18218 535 1 1 . 1 1 98 98 GLU N N 98 121.445 121.445 121.318 0.127 18218 536 1 1 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.544 -0.279 18218 537 1 1 . 1 1 98 98 GLU C C 98 172.987 172.987 176.134 -3.147 18218 538 1 1 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.729 -2.452 18218 539 1 1 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.822 -4.426 18218 540 1 1 . 1 1 98 98 GLU H H 98 8.086 8.086 8.604 -0.518 18218 541 1 2 . 1 1 2 2 SER N N 2 116.234 116.234 118.410 -2.176 18218 542 1 2 . 1 1 2 2 SER HA H 2 4.828 4.828 4.839 -0.011 18218 543 1 2 . 1 1 2 2 SER C C 2 171.696 171.696 174.511 -2.815 18218 544 1 2 . 1 1 2 2 SER CA C 2 55.273 55.273 58.067 -2.794 18218 545 1 2 . 1 1 2 2 SER CB C 2 60.624 60.624 64.660 -4.036 18218 546 1 2 . 1 1 2 2 SER H H 2 7.958 7.958 8.627 -0.669 18218 547 1 2 . 1 1 3 3 ALA N N 3 125.895 125.895 128.047 -2.152 18218 548 1 2 . 1 1 3 3 ALA C C 3 174.633 174.633 177.021 -2.388 18218 549 1 2 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.778 -3.059 18218 550 1 2 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.124 -3.612 18218 551 1 2 . 1 1 3 3 ALA H H 3 8.273 8.273 8.677 -0.404 18218 552 1 2 . 1 1 4 4 ASN N N 4 118.166 118.166 115.816 2.350 18218 553 1 2 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.597 0.003 18218 554 1 2 . 1 1 4 4 ASN C C 4 172.089 172.089 174.783 -2.694 18218 555 1 2 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.423 -3.154 18218 556 1 2 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.664 -3.093 18218 557 1 2 . 1 1 4 4 ASN H H 4 8.307 8.307 8.298 0.009 18218 558 1 2 . 1 1 5 5 ARG N N 5 121.553 121.553 122.324 -0.771 18218 559 1 2 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.324 -0.155 18218 560 1 2 . 1 1 5 5 ARG C C 5 173.013 173.013 176.130 -3.117 18218 561 1 2 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.866 -4.052 18218 562 1 2 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.857 -3.639 18218 563 1 2 . 1 1 5 5 ARG H H 5 8.058 8.058 8.307 -0.249 18218 564 1 2 . 1 1 6 6 ARG N N 6 122.689 122.689 119.733 2.956 18218 565 1 2 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.287 -0.346 18218 566 1 2 . 1 1 6 6 ARG C C 6 173.392 173.392 175.094 -1.702 18218 567 1 2 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.222 -3.957 18218 568 1 2 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.335 -4.129 18218 569 1 2 . 1 1 6 6 ARG H H 6 8.122 8.122 8.236 -0.114 18218 570 1 2 . 1 1 7 7 TRP N N 7 120.901 120.901 126.802 -5.901 18218 571 1 2 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.620 -0.202 18218 572 1 2 . 1 1 7 7 TRP C C 7 172.557 172.557 176.152 -3.595 18218 573 1 2 . 1 1 7 7 TRP CA C 7 54.521 54.521 55.233 -0.712 18218 574 1 2 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.412 -3.333 18218 575 1 2 . 1 1 7 7 TRP H H 7 7.585 7.585 8.626 -1.041 18218 576 1 2 . 1 1 8 8 TRP N N 8 118.192 118.192 128.103 -9.911 18218 577 1 2 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.621 -0.170 18218 578 1 2 . 1 1 8 8 TRP C C 8 171.456 171.456 175.025 -3.569 18218 579 1 2 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.527 -2.585 18218 580 1 2 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.547 -4.037 18218 581 1 2 . 1 1 8 8 TRP H H 8 6.811 6.811 8.229 -1.418 18218 582 1 2 . 1 1 9 9 VAL N N 9 122.005 122.005 120.445 1.560 18218 583 1 2 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.157 -0.005 18218 584 1 2 . 1 1 9 9 VAL C C 9 170.671 170.671 174.045 -3.374 18218 585 1 2 . 1 1 9 9 VAL CA C 9 56.083 56.083 59.607 -3.524 18218 586 1 2 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.666 -2.486 18218 587 1 2 . 1 1 9 9 VAL H H 9 6.949 6.949 8.148 -1.199 18218 588 1 2 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.188 -1.857 18218 589 1 2 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.464 -3.081 18218 590 1 2 . 1 1 12 12 ASP N N 12 119.443 119.443 119.295 0.148 18218 591 1 2 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.290 0.234 18218 592 1 2 . 1 1 12 12 ASP C C 12 174.215 174.215 176.210 -1.995 18218 593 1 2 . 1 1 12 12 ASP CA C 12 51.426 51.426 56.138 -4.712 18218 594 1 2 . 1 1 12 12 ASP CB C 12 37.279 37.279 40.851 -3.572 18218 595 1 2 . 1 1 12 12 ASP H H 12 8.241 8.241 8.597 -0.356 18218 596 1 2 . 1 1 13 13 ASP N N 13 119.369 119.369 118.583 0.786 18218 597 1 2 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.640 -0.060 18218 598 1 2 . 1 1 13 13 ASP C C 13 175.379 175.379 174.653 0.726 18218 599 1 2 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.646 -3.539 18218 600 1 2 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.847 -4.505 18218 601 1 2 . 1 1 13 13 ASP H H 13 7.980 7.980 8.287 -0.307 18218 602 1 2 . 1 1 14 14 GLU N N 14 121.036 121.036 121.507 -0.471 18218 603 1 2 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.512 -0.352 18218 604 1 2 . 1 1 14 14 GLU C C 14 173.633 173.633 174.544 -0.911 18218 605 1 2 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.246 -2.131 18218 606 1 2 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.449 -4.243 18218 607 1 2 . 1 1 14 14 GLU H H 14 8.197 8.197 8.365 -0.168 18218 608 1 2 . 1 1 15 15 ASP N N 15 120.130 120.130 122.917 -2.787 18218 609 1 2 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.848 -0.206 18218 610 1 2 . 1 1 15 15 ASP C C 15 173.595 173.595 175.186 -1.591 18218 611 1 2 . 1 1 15 15 ASP CA C 15 51.455 51.455 52.949 -1.494 18218 612 1 2 . 1 1 15 15 ASP CB C 15 37.469 37.469 41.740 -4.271 18218 613 1 2 . 1 1 15 15 ASP H H 15 8.308 8.308 8.388 -0.080 18218 614 1 2 . 1 1 16 16 CYS N N 16 118.700 118.700 121.569 -2.869 18218 615 1 2 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.379 0.072 18218 616 1 2 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.832 -4.096 18218 617 1 2 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.106 -3.419 18218 618 1 2 . 1 1 16 16 CYS H H 16 7.968 7.968 8.548 -0.580 18218 619 1 2 . 1 1 17 17 VAL N N 17 123.275 123.275 112.609 10.666 18218 620 1 2 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.321 -0.593 18218 621 1 2 . 1 1 17 17 VAL C C 17 174.430 174.430 175.352 -0.922 18218 622 1 2 . 1 1 17 17 VAL CA C 17 62.504 62.504 63.291 -0.787 18218 623 1 2 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.864 -4.633 18218 624 1 2 . 1 1 17 17 VAL H H 17 8.550 8.550 7.892 0.658 18218 625 1 2 . 1 1 18 18 SER N N 18 116.499 116.499 114.871 1.628 18218 626 1 2 . 1 1 18 18 SER HA H 18 3.822 3.822 4.079 -0.257 18218 627 1 2 . 1 1 18 18 SER CA C 18 58.484 58.484 58.812 -0.328 18218 628 1 2 . 1 1 18 18 SER CB C 18 59.109 59.109 63.551 -4.442 18218 629 1 2 . 1 1 18 18 SER H H 18 8.447 8.447 7.904 0.543 18218 630 1 2 . 1 1 19 19 GLU N N 19 121.940 121.940 120.843 1.097 18218 631 1 2 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.050 -0.039 18218 632 1 2 . 1 1 19 19 GLU C C 19 175.544 175.544 178.436 -2.892 18218 633 1 2 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.465 -3.845 18218 634 1 2 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.591 -4.144 18218 635 1 2 . 1 1 19 19 GLU H H 19 7.686 7.686 8.801 -1.115 18218 636 1 2 . 1 1 20 20 LYS N N 20 119.855 119.855 121.244 -1.389 18218 637 1 2 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.123 -0.203 18218 638 1 2 . 1 1 20 20 LYS C C 20 173.696 173.696 178.637 -4.941 18218 639 1 2 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.176 -3.122 18218 640 1 2 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.065 -3.138 18218 641 1 2 . 1 1 20 20 LYS H H 20 7.898 7.898 7.759 0.139 18218 642 1 2 . 1 1 21 21 LEU N N 21 119.542 119.542 120.813 -1.271 18218 643 1 2 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.013 0.028 18218 644 1 2 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.969 -3.622 18218 645 1 2 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.951 -3.533 18218 646 1 2 . 1 1 21 21 LEU H H 21 8.056 8.056 8.081 -0.025 18218 647 1 2 . 1 1 22 22 LEU N N 22 120.384 120.384 120.276 0.108 18218 648 1 2 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.965 0.085 18218 649 1 2 . 1 1 22 22 LEU CA C 22 54.347 54.347 57.990 -3.643 18218 650 1 2 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.837 -3.925 18218 651 1 2 . 1 1 22 22 LEU H H 22 8.097 8.097 8.416 -0.319 18218 652 1 2 . 1 1 23 23 ARG N N 23 119.486 119.486 117.158 2.328 18218 653 1 2 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.983 0.012 18218 654 1 2 . 1 1 23 23 ARG C C 23 175.443 175.443 178.541 -3.098 18218 655 1 2 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.623 -2.801 18218 656 1 2 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.298 -3.966 18218 657 1 2 . 1 1 23 23 ARG H H 23 8.032 8.032 7.964 0.068 18218 658 1 2 . 1 1 24 24 LYS N N 24 119.009 119.009 118.048 0.961 18218 659 1 2 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.110 0.030 18218 660 1 2 . 1 1 24 24 LYS C C 24 175.633 175.633 177.629 -1.996 18218 661 1 2 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.774 -4.051 18218 662 1 2 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.936 -4.326 18218 663 1 2 . 1 1 24 24 LYS H H 24 7.860 7.860 7.921 -0.061 18218 664 1 2 . 1 1 25 25 THR N N 25 112.776 112.776 116.294 -3.518 18218 665 1 2 . 1 1 25 25 THR HA H 25 4.005 4.005 4.417 -0.412 18218 666 1 2 . 1 1 25 25 THR C C 25 172.646 172.646 172.749 -0.103 18218 667 1 2 . 1 1 25 25 THR CA C 25 61.810 61.810 62.634 -0.824 18218 668 1 2 . 1 1 25 25 THR CB C 25 65.753 65.753 69.203 -3.450 18218 669 1 2 . 1 1 25 25 THR H H 25 7.867 7.867 8.072 -0.205 18218 670 1 2 . 1 1 26 26 ARG N N 26 119.996 119.996 125.851 -5.855 18218 671 1 2 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.365 -0.218 18218 672 1 2 . 1 1 26 26 ARG C C 26 174.278 174.278 174.626 -0.348 18218 673 1 2 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.678 -2.331 18218 674 1 2 . 1 1 26 26 ARG CB C 26 27.028 27.028 31.158 -4.130 18218 675 1 2 . 1 1 26 26 ARG H H 26 7.765 7.765 8.677 -0.912 18218 676 1 2 . 1 1 27 27 GLU N N 27 118.067 118.067 123.040 -4.973 18218 677 1 2 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.386 -0.099 18218 678 1 2 . 1 1 27 27 GLU C C 27 173.582 173.582 175.557 -1.975 18218 679 1 2 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.541 -3.177 18218 680 1 2 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.093 -3.887 18218 681 1 2 . 1 1 27 27 GLU H H 27 7.764 7.764 8.616 -0.852 18218 682 1 2 . 1 1 28 28 SER N N 28 115.900 115.900 117.620 -1.720 18218 683 1 2 . 1 1 28 28 SER HA H 28 4.740 4.740 4.734 0.006 18218 684 1 2 . 1 1 28 28 SER C C 28 170.481 170.481 172.854 -2.373 18218 685 1 2 . 1 1 28 28 SER CA C 28 53.132 53.132 57.444 -4.312 18218 686 1 2 . 1 1 28 28 SER CB C 28 60.624 60.624 63.356 -2.732 18218 687 1 2 . 1 1 28 28 SER H H 28 7.630 7.630 8.122 -0.492 18218 688 1 2 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.702 -0.166 18218 689 1 2 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.333 -2.042 18218 690 1 2 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.465 -3.018 18218 691 1 2 . 1 1 30 30 LEU N N 30 120.365 120.365 117.951 2.414 18218 692 1 2 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.580 -0.371 18218 693 1 2 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.131 -4.375 18218 694 1 2 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.161 -2.237 18218 695 1 2 . 1 1 30 30 LEU H H 30 8.034 8.034 8.392 -0.358 18218 696 1 2 . 1 1 31 31 VAL N N 31 117.988 117.988 122.134 -4.146 18218 697 1 2 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.898 0.335 18218 698 1 2 . 1 1 31 31 VAL C C 31 171.899 171.899 176.048 -4.149 18218 699 1 2 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.726 -10.139 18218 700 1 2 . 1 1 31 31 VAL CB C 31 28.710 28.710 28.960 -0.250 18218 701 1 2 . 1 1 31 31 VAL H H 31 7.499 7.499 8.636 -1.137 18218 702 1 2 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.360 0.177 18218 703 1 2 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.814 -5.718 18218 704 1 2 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.318 -3.568 18218 705 1 2 . 1 1 33 33 ILE N N 33 121.507 121.507 118.982 2.525 18218 706 1 2 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.592 0.327 18218 707 1 2 . 1 1 33 33 ILE C C 33 173.025 173.025 178.360 -5.335 18218 708 1 2 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.833 -4.961 18218 709 1 2 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.566 -3.071 18218 710 1 2 . 1 1 33 33 ILE H H 33 7.982 7.982 7.713 0.269 18218 711 1 2 . 1 1 34 34 GLY N N 34 111.381 111.381 107.339 4.042 18218 712 1 2 . 1 1 34 34 GLY C C 34 172.987 172.987 175.746 -2.759 18218 713 1 2 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.821 -3.813 18218 714 1 2 . 1 1 34 34 GLY H H 34 8.540 8.540 8.622 -0.082 18218 715 1 2 . 1 1 35 35 LEU N N 35 122.626 122.626 123.405 -0.779 18218 716 1 2 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.879 0.370 18218 717 1 2 . 1 1 35 35 LEU C C 35 175.637 175.637 178.935 -3.298 18218 718 1 2 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.993 -3.761 18218 719 1 2 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.638 -3.030 18218 720 1 2 . 1 1 35 35 LEU H H 35 7.964 7.964 7.806 0.158 18218 721 1 2 . 1 1 36 36 GLY N N 36 106.708 106.708 105.687 1.021 18218 722 1 2 . 1 1 36 36 GLY C C 36 172.647 172.647 176.142 -3.495 18218 723 1 2 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.492 -3.066 18218 724 1 2 . 1 1 36 36 GLY H H 36 8.521 8.521 8.584 -0.063 18218 725 1 2 . 1 1 37 37 GLY N N 37 108.586 108.586 107.936 0.650 18218 726 1 2 . 1 1 37 37 GLY C C 37 173.291 173.291 175.989 -2.698 18218 727 1 2 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.678 -2.542 18218 728 1 2 . 1 1 37 37 GLY H H 37 8.270 8.270 8.331 -0.061 18218 729 1 2 . 1 1 38 38 CYS N N 38 119.678 119.678 121.191 -1.513 18218 730 1 2 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.230 0.014 18218 731 1 2 . 1 1 38 38 CYS C C 38 174.215 174.215 176.219 -2.004 18218 732 1 2 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.670 -3.434 18218 733 1 2 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.882 -4.523 18218 734 1 2 . 1 1 38 38 CYS H H 38 7.836 7.836 7.708 0.128 18218 735 1 2 . 1 1 39 39 LEU N N 39 120.798 120.798 121.701 -0.903 18218 736 1 2 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.793 0.320 18218 737 1 2 . 1 1 39 39 LEU C C 39 175.506 175.506 178.907 -3.401 18218 738 1 2 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.316 -3.448 18218 739 1 2 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.099 -4.250 18218 740 1 2 . 1 1 39 39 LEU H H 39 7.999 7.999 8.115 -0.116 18218 741 1 2 . 1 1 40 40 VAL N N 40 118.510 118.510 117.925 0.585 18218 742 1 2 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.469 0.127 18218 743 1 2 . 1 1 40 40 VAL C C 40 174.544 174.544 177.655 -3.111 18218 744 1 2 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.831 -3.112 18218 745 1 2 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.715 -3.801 18218 746 1 2 . 1 1 40 40 VAL H H 40 7.803 7.803 8.088 -0.285 18218 747 1 2 . 1 1 41 41 VAL N N 41 119.131 119.131 120.204 -1.073 18218 748 1 2 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.651 0.041 18218 749 1 2 . 1 1 41 41 VAL C C 41 175.924 175.924 177.489 -1.565 18218 750 1 2 . 1 1 41 41 VAL CA C 41 63.459 63.459 67.593 -4.133 18218 751 1 2 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.589 -3.548 18218 752 1 2 . 1 1 41 41 VAL H H 41 7.624 7.624 7.879 -0.255 18218 753 1 2 . 1 1 42 42 ALA N N 42 122.172 122.172 120.886 1.286 18218 754 1 2 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.845 0.260 18218 755 1 2 . 1 1 42 42 ALA C C 42 176.582 176.582 179.227 -2.645 18218 756 1 2 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.315 -3.050 18218 757 1 2 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.756 -2.876 18218 758 1 2 . 1 1 42 42 ALA H H 42 8.008 8.008 8.200 -0.192 18218 759 1 2 . 1 1 43 43 ALA N N 43 119.990 119.990 121.657 -1.667 18218 760 1 2 . 1 1 43 43 ALA HA H 43 3.991 3.991 3.933 0.059 18218 761 1 2 . 1 1 43 43 ALA C C 43 176.455 176.455 179.502 -3.047 18218 762 1 2 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.018 -2.725 18218 763 1 2 . 1 1 43 43 ALA CB C 43 14.880 14.880 17.910 -3.030 18218 764 1 2 . 1 1 43 43 ALA H H 43 8.400 8.400 7.746 0.654 18218 765 1 2 . 1 1 44 44 TYR N N 44 118.221 118.221 118.708 -0.487 18218 766 1 2 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.072 0.147 18218 767 1 2 . 1 1 44 44 TYR C C 44 175.177 175.177 178.547 -3.370 18218 768 1 2 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.854 -3.573 18218 769 1 2 . 1 1 44 44 TYR CB C 44 34.622 34.622 37.808 -3.186 18218 770 1 2 . 1 1 44 44 TYR H H 44 8.345 8.345 7.987 0.358 18218 771 1 2 . 1 1 45 45 ARG N N 45 119.104 119.104 119.411 -0.307 18218 772 1 2 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.921 -0.088 18218 773 1 2 . 1 1 45 45 ARG C C 45 176.531 176.531 178.883 -2.352 18218 774 1 2 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.873 -3.443 18218 775 1 2 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.012 -3.806 18218 776 1 2 . 1 1 45 45 ARG H H 45 8.275 8.275 8.158 0.117 18218 777 1 2 . 1 1 46 46 ILE N N 46 119.719 119.719 119.370 0.349 18218 778 1 2 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.587 0.114 18218 779 1 2 . 1 1 46 46 ILE C C 46 174.873 174.873 177.830 -2.957 18218 780 1 2 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.684 -4.250 18218 781 1 2 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.702 -3.840 18218 782 1 2 . 1 1 46 46 ILE H H 46 8.119 8.119 8.486 -0.367 18218 783 1 2 . 1 1 47 47 TYR N N 47 121.419 121.419 119.266 2.153 18218 784 1 2 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.958 0.024 18218 785 1 2 . 1 1 47 47 TYR C C 47 175.544 175.544 177.493 -1.949 18218 786 1 2 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.617 -3.018 18218 787 1 2 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.273 -3.398 18218 788 1 2 . 1 1 47 47 TYR H H 47 8.383 8.383 8.216 0.167 18218 789 1 2 . 1 1 48 48 ARG N N 48 118.278 118.278 117.843 0.435 18218 790 1 2 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.127 -0.435 18218 791 1 2 . 1 1 48 48 ARG C C 48 175.671 175.671 178.032 -2.361 18218 792 1 2 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.942 -3.987 18218 793 1 2 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.544 -4.591 18218 794 1 2 . 1 1 48 48 ARG H H 48 8.074 8.074 8.033 0.041 18218 795 1 2 . 1 1 49 49 LEU N N 49 120.350 120.350 119.004 1.346 18218 796 1 2 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.085 0.063 18218 797 1 2 . 1 1 49 49 LEU C C 49 175.772 175.772 177.389 -1.617 18218 798 1 2 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.185 -3.677 18218 799 1 2 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.659 -3.178 18218 800 1 2 . 1 1 49 49 LEU H H 49 7.744 7.744 7.987 -0.243 18218 801 1 2 . 1 1 50 50 ARG N N 50 117.990 117.990 118.804 -0.814 18218 802 1 2 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.106 0.048 18218 803 1 2 . 1 1 50 50 ARG C C 50 174.139 174.139 175.452 -1.313 18218 804 1 2 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.752 -3.694 18218 805 1 2 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.466 -4.260 18218 806 1 2 . 1 1 50 50 ARG H H 50 7.686 7.686 8.031 -0.345 18218 807 1 2 . 1 1 51 51 SER N N 51 115.124 115.124 114.862 0.262 18218 808 1 2 . 1 1 51 51 SER HA H 51 4.274 4.274 4.140 0.134 18218 809 1 2 . 1 1 51 51 SER C C 51 172.392 172.392 173.344 -0.952 18218 810 1 2 . 1 1 51 51 SER CA C 51 56.112 56.112 59.025 -2.913 18218 811 1 2 . 1 1 51 51 SER CB C 51 60.075 60.075 63.726 -3.651 18218 812 1 2 . 1 1 51 51 SER H H 51 7.873 7.873 8.406 -0.533 18218 813 1 2 . 1 1 52 52 ARG N N 52 122.132 122.132 121.755 0.377 18218 814 1 2 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.536 -0.260 18218 815 1 2 . 1 1 52 52 ARG C C 52 174.316 174.316 176.055 -1.739 18218 816 1 2 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.548 -2.126 18218 817 1 2 . 1 1 52 52 ARG CB C 52 26.332 26.332 32.700 -6.368 18218 818 1 2 . 1 1 52 52 ARG H H 52 7.923 7.923 8.448 -0.525 18218 819 1 2 . 1 1 53 53 GLY N N 53 108.907 108.907 111.277 -2.370 18218 820 1 2 . 1 1 53 53 GLY C C 53 171.405 171.405 174.155 -2.750 18218 821 1 2 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.517 -3.058 18218 822 1 2 . 1 1 53 53 GLY H H 53 8.142 8.142 8.558 -0.416 18218 823 1 2 . 1 1 54 54 SER N N 54 115.609 115.609 115.286 0.323 18218 824 1 2 . 1 1 54 54 SER HA H 54 4.470 4.470 4.681 -0.211 18218 825 1 2 . 1 1 54 54 SER C C 54 172.367 172.367 175.086 -2.719 18218 826 1 2 . 1 1 54 54 SER CA C 54 55.504 55.504 59.331 -3.827 18218 827 1 2 . 1 1 54 54 SER CB C 54 60.537 60.537 64.353 -3.816 18218 828 1 2 . 1 1 54 54 SER H H 54 8.042 8.042 8.901 -0.859 18218 829 1 2 . 1 1 55 55 THR N N 55 117.148 117.148 114.473 2.675 18218 830 1 2 . 1 1 55 55 THR HA H 55 4.244 4.244 4.442 -0.198 18218 831 1 2 . 1 1 55 55 THR C C 55 171.785 171.785 173.579 -1.794 18218 832 1 2 . 1 1 55 55 THR CA C 55 59.612 59.612 62.781 -3.169 18218 833 1 2 . 1 1 55 55 THR CB C 55 66.322 66.322 69.497 -3.175 18218 834 1 2 . 1 1 55 55 THR H H 55 8.123 8.123 8.396 -0.273 18218 835 1 2 . 1 1 56 56 LYS N N 56 123.462 123.462 120.424 3.038 18218 836 1 2 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.518 -0.274 18218 837 1 2 . 1 1 56 56 LYS C C 56 173.848 173.848 175.423 -1.575 18218 838 1 2 . 1 1 56 56 LYS CA C 56 53.566 53.566 55.384 -1.818 18218 839 1 2 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.557 -4.441 18218 840 1 2 . 1 1 56 56 LYS H H 56 8.184 8.184 7.979 0.205 18218 841 1 2 . 1 1 57 57 MET N N 57 121.145 121.145 118.865 2.280 18218 842 1 2 . 1 1 57 57 MET HA H 57 4.425 4.425 4.317 0.108 18218 843 1 2 . 1 1 57 57 MET C C 57 172.835 172.835 174.565 -1.730 18218 844 1 2 . 1 1 57 57 MET CA C 57 52.930 52.930 56.275 -3.345 18218 845 1 2 . 1 1 57 57 MET CB C 57 29.876 29.876 31.481 -1.605 18218 846 1 2 . 1 1 57 57 MET H H 57 8.153 8.153 8.786 -0.633 18218 847 1 2 . 1 1 58 58 SER N N 58 116.811 116.811 116.623 0.188 18218 848 1 2 . 1 1 58 58 SER HA H 58 4.470 4.470 4.703 -0.233 18218 849 1 2 . 1 1 58 58 SER C C 58 171.620 171.620 173.560 -1.940 18218 850 1 2 . 1 1 58 58 SER CA C 58 55.041 55.041 57.794 -2.753 18218 851 1 2 . 1 1 58 58 SER CB C 58 60.653 60.653 65.975 -5.322 18218 852 1 2 . 1 1 58 58 SER H H 58 7.895 7.895 8.367 -0.472 18218 853 1 2 . 1 1 59 59 ILE N N 59 122.346 122.346 119.001 3.345 18218 854 1 2 . 1 1 59 59 ILE HA H 59 3.990 3.990 3.966 0.024 18218 855 1 2 . 1 1 59 59 ILE C C 59 173.127 173.127 174.674 -1.547 18218 856 1 2 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.396 -3.854 18218 857 1 2 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.310 -3.373 18218 858 1 2 . 1 1 59 59 ILE H H 59 8.110 8.110 8.671 -0.561 18218 859 1 2 . 1 1 60 60 HIS N N 60 121.006 121.006 118.440 2.566 18218 860 1 2 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.289 -0.275 18218 861 1 2 . 1 1 60 60 HIS C C 60 172.443 172.443 175.845 -3.402 18218 862 1 2 . 1 1 60 60 HIS CA C 60 53.364 53.364 57.300 -3.936 18218 863 1 2 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.036 -4.526 18218 864 1 2 . 1 1 60 60 HIS H H 60 8.235 8.235 8.769 -0.534 18218 865 1 2 . 1 1 61 61 LEU N N 61 120.472 120.472 124.403 -3.931 18218 866 1 2 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.291 -0.102 18218 867 1 2 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.592 -2.402 18218 868 1 2 . 1 1 61 61 LEU CB C 61 38.864 38.864 40.471 -1.607 18218 869 1 2 . 1 1 61 61 LEU H H 61 8.045 8.045 8.638 -0.593 18218 870 1 2 . 1 1 62 62 ILE N N 62 117.281 117.281 118.233 -0.952 18218 871 1 2 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.859 0.038 18218 872 1 2 . 1 1 62 62 ILE CA C 62 59.149 59.149 61.447 -2.298 18218 873 1 2 . 1 1 62 62 ILE CB C 62 34.432 34.432 35.765 -1.333 18218 874 1 2 . 1 1 62 62 ILE H H 62 7.555 7.555 8.484 -0.929 18218 875 1 2 . 1 1 63 63 HIS N N 63 119.488 119.488 127.074 -7.586 18218 876 1 2 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.212 0.425 18218 877 1 2 . 1 1 63 63 HIS CA C 63 52.438 52.438 57.253 -4.815 18218 878 1 2 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.419 -5.289 18218 879 1 2 . 1 1 63 63 HIS H H 63 8.179 8.179 8.650 -0.471 18218 880 1 2 . 1 1 64 64 THR N N 64 112.132 112.132 121.604 -9.472 18218 881 1 2 . 1 1 64 64 THR HA H 64 4.296 4.296 4.205 0.091 18218 882 1 2 . 1 1 64 64 THR C C 64 175.063 175.063 173.938 1.125 18218 883 1 2 . 1 1 64 64 THR CA C 64 58.802 58.802 62.698 -3.896 18218 884 1 2 . 1 1 64 64 THR CB C 64 67.588 67.588 69.598 -2.010 18218 885 1 2 . 1 1 64 64 THR H H 64 7.576 7.576 8.322 -0.746 18218 886 1 2 . 1 1 65 65 ARG N N 65 123.493 123.493 119.051 4.442 18218 887 1 2 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.252 0.044 18218 888 1 2 . 1 1 65 65 ARG C C 65 175.633 175.633 176.630 -0.997 18218 889 1 2 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.639 -1.308 18218 890 1 2 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.980 -3.837 18218 891 1 2 . 1 1 65 65 ARG H H 65 8.713 8.713 7.954 0.759 18218 892 1 2 . 1 1 66 66 VAL N N 66 117.974 117.974 122.385 -4.411 18218 893 1 2 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.578 0.419 18218 894 1 2 . 1 1 66 66 VAL C C 66 174.215 174.215 177.657 -3.442 18218 895 1 2 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.205 -4.511 18218 896 1 2 . 1 1 66 66 VAL CB C 66 28.041 28.041 30.659 -2.618 18218 897 1 2 . 1 1 66 66 VAL H H 66 7.987 7.987 8.250 -0.263 18218 898 1 2 . 1 1 67 67 ALA N N 67 123.016 123.016 122.007 1.009 18218 899 1 2 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.428 0.572 18218 900 1 2 . 1 1 67 67 ALA C C 67 175.367 175.367 179.109 -3.742 18218 901 1 2 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.046 -2.926 18218 902 1 2 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.683 -2.930 18218 903 1 2 . 1 1 67 67 ALA H H 67 7.645 7.645 8.334 -0.689 18218 904 1 2 . 1 1 68 68 ALA N N 68 120.682 120.682 120.700 -0.018 18218 905 1 2 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.924 0.255 18218 906 1 2 . 1 1 68 68 ALA C C 68 178.354 178.354 180.083 -1.729 18218 907 1 2 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.933 -2.784 18218 908 1 2 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.011 -3.258 18218 909 1 2 . 1 1 68 68 ALA H H 68 7.931 7.931 8.007 -0.076 18218 910 1 2 . 1 1 69 69 GLN N N 69 119.129 119.129 119.235 -0.106 18218 911 1 2 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.846 0.430 18218 912 1 2 . 1 1 69 69 GLN C C 69 175.430 175.430 178.343 -2.913 18218 913 1 2 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.994 -3.721 18218 914 1 2 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.521 -3.391 18218 915 1 2 . 1 1 69 69 GLN H H 69 8.213 8.213 8.295 -0.082 18218 916 1 2 . 1 1 70 70 ALA N N 70 122.065 122.065 121.671 0.394 18218 917 1 2 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.653 0.347 18218 918 1 2 . 1 1 70 70 ALA C C 70 176.734 176.734 178.670 -1.936 18218 919 1 2 . 1 1 70 70 ALA CA C 70 52.149 52.149 55.023 -2.874 18218 920 1 2 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.634 -2.881 18218 921 1 2 . 1 1 70 70 ALA H H 70 8.397 8.397 8.394 0.003 18218 922 1 2 . 1 1 71 71 CYS N N 71 115.893 115.893 116.661 -0.768 18218 923 1 2 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.032 0.021 18218 924 1 2 . 1 1 71 71 CYS C C 71 173.696 173.696 176.915 -3.219 18218 925 1 2 . 1 1 71 71 CYS CA C 71 60.451 60.451 62.060 -1.609 18218 926 1 2 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.678 -3.193 18218 927 1 2 . 1 1 71 71 CYS H H 71 8.169 8.169 7.939 0.230 18218 928 1 2 . 1 1 72 72 ALA N N 72 122.868 122.868 123.557 -0.689 18218 929 1 2 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.012 0.248 18218 930 1 2 . 1 1 72 72 ALA C C 72 177.886 177.886 179.320 -1.434 18218 931 1 2 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.546 -3.513 18218 932 1 2 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.104 -3.351 18218 933 1 2 . 1 1 72 72 ALA H H 72 7.742 7.742 8.265 -0.523 18218 934 1 2 . 1 1 73 73 VAL N N 73 118.066 118.066 116.669 1.397 18218 935 1 2 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.643 0.133 18218 936 1 2 . 1 1 73 73 VAL C C 73 175.696 175.696 178.133 -2.437 18218 937 1 2 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.490 -2.841 18218 938 1 2 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.125 -2.021 18218 939 1 2 . 1 1 73 73 VAL H H 73 8.050 8.050 8.295 -0.245 18218 940 1 2 . 1 1 74 74 GLY N N 74 109.146 109.146 107.765 1.381 18218 941 1 2 . 1 1 74 74 GLY C C 74 171.962 171.962 175.257 -3.295 18218 942 1 2 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.083 -2.513 18218 943 1 2 . 1 1 74 74 GLY H H 74 8.648 8.648 8.021 0.627 18218 944 1 2 . 1 1 75 75 ALA N N 75 123.035 123.035 125.030 -1.995 18218 945 1 2 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.952 0.137 18218 946 1 2 . 1 1 75 75 ALA C C 75 178.253 178.253 178.637 -0.384 18218 947 1 2 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.914 -2.476 18218 948 1 2 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.540 -3.850 18218 949 1 2 . 1 1 75 75 ALA H H 75 8.213 8.213 7.794 0.419 18218 950 1 2 . 1 1 76 76 ILE N N 76 120.121 120.121 119.994 0.127 18218 951 1 2 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.571 0.258 18218 952 1 2 . 1 1 76 76 ILE C C 76 176.506 176.506 177.989 -1.483 18218 953 1 2 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.662 -3.344 18218 954 1 2 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.684 -3.316 18218 955 1 2 . 1 1 76 76 ILE H H 76 7.523 7.523 7.990 -0.467 18218 956 1 2 . 1 1 77 77 MET N N 77 120.468 120.468 118.754 1.714 18218 957 1 2 . 1 1 77 77 MET HA H 77 4.116 4.116 3.998 0.118 18218 958 1 2 . 1 1 77 77 MET C C 77 175.038 175.038 178.337 -3.299 18218 959 1 2 . 1 1 77 77 MET CA C 77 56.314 56.314 59.715 -3.401 18218 960 1 2 . 1 1 77 77 MET CB C 77 34.242 34.242 32.537 1.705 18218 961 1 2 . 1 1 77 77 MET H H 77 8.239 8.239 8.201 0.038 18218 962 1 2 . 1 1 78 78 LEU N N 78 119.389 119.389 119.649 -0.260 18218 963 1 2 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.751 0.213 18218 964 1 2 . 1 1 78 78 LEU C C 78 176.202 176.202 179.079 -2.877 18218 965 1 2 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.249 -3.381 18218 966 1 2 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.503 -3.718 18218 967 1 2 . 1 1 78 78 LEU H H 78 8.571 8.571 8.358 0.213 18218 968 1 2 . 1 1 79 79 GLY N N 79 105.857 105.857 104.930 0.927 18218 969 1 2 . 1 1 79 79 GLY C C 79 173.861 173.861 175.182 -1.321 18218 970 1 2 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.166 -2.914 18218 971 1 2 . 1 1 79 79 GLY H H 79 8.006 8.006 8.298 -0.292 18218 972 1 2 . 1 1 80 80 ALA N N 80 125.631 125.631 125.726 -0.095 18218 973 1 2 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.057 0.238 18218 974 1 2 . 1 1 80 80 ALA C C 80 177.544 177.544 179.521 -1.977 18218 975 1 2 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.106 -3.102 18218 976 1 2 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.414 -3.724 18218 977 1 2 . 1 1 80 80 ALA H H 80 7.971 7.971 7.370 0.601 18218 978 1 2 . 1 1 81 81 VAL N N 81 118.858 118.858 116.232 2.626 18218 979 1 2 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.588 0.152 18218 980 1 2 . 1 1 81 81 VAL C C 81 174.974 174.974 177.775 -2.801 18218 981 1 2 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.385 -3.071 18218 982 1 2 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.305 -3.517 18218 983 1 2 . 1 1 81 81 VAL H H 81 8.206 8.206 8.299 -0.093 18218 984 1 2 . 1 1 82 82 TYR N N 82 121.151 121.151 120.056 1.095 18218 985 1 2 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.204 0.073 18218 986 1 2 . 1 1 82 82 TYR C C 82 176.038 176.038 178.812 -2.774 18218 987 1 2 . 1 1 82 82 TYR CA C 82 58.802 58.802 60.820 -2.018 18218 988 1 2 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.632 -3.200 18218 989 1 2 . 1 1 82 82 TYR H H 82 8.614 8.614 8.232 0.382 18218 990 1 2 . 1 1 83 83 THR N N 83 118.253 118.253 115.769 2.484 18218 991 1 2 . 1 1 83 83 THR HA H 83 4.340 4.340 3.965 0.375 18218 992 1 2 . 1 1 83 83 THR CA C 83 63.980 63.980 67.211 -3.231 18218 993 1 2 . 1 1 83 83 THR CB C 83 65.437 65.437 68.828 -3.391 18218 994 1 2 . 1 1 83 83 THR H H 83 8.361 8.361 8.558 -0.197 18218 995 1 2 . 1 1 84 84 MET N N 84 121.616 121.616 122.255 -0.639 18218 996 1 2 . 1 1 84 84 MET C C 84 175.949 175.949 177.967 -2.018 18218 997 1 2 . 1 1 84 84 MET CA C 84 56.603 56.603 59.224 -2.621 18218 998 1 2 . 1 1 84 84 MET CB C 84 29.180 29.180 32.518 -3.338 18218 999 1 2 . 1 1 84 84 MET H H 84 8.053 8.053 8.480 -0.427 18218 1000 1 2 . 1 1 85 85 TYR N N 85 120.690 120.690 119.015 1.675 18218 1001 1 2 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.031 0.139 18218 1002 1 2 . 1 1 85 85 TYR C C 85 173.709 173.709 176.548 -2.839 18218 1003 1 2 . 1 1 85 85 TYR CA C 85 58.484 58.484 60.962 -2.478 18218 1004 1 2 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.216 -3.278 18218 1005 1 2 . 1 1 85 85 TYR H H 85 8.543 8.543 8.609 -0.066 18218 1006 1 2 . 1 1 86 86 SER N N 86 115.536 115.536 113.804 1.732 18218 1007 1 2 . 1 1 86 86 SER HA H 86 3.802 3.802 4.272 -0.470 18218 1008 1 2 . 1 1 86 86 SER C C 86 174.709 174.709 176.473 -1.764 18218 1009 1 2 . 1 1 86 86 SER CA C 86 58.542 58.542 61.464 -2.922 18218 1010 1 2 . 1 1 86 86 SER CB C 86 59.243 59.243 63.775 -4.532 18218 1011 1 2 . 1 1 86 86 SER H H 86 8.422 8.422 7.958 0.464 18218 1012 1 2 . 1 1 87 87 ASP N N 87 121.132 121.132 122.880 -1.748 18218 1013 1 2 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.401 -0.052 18218 1014 1 2 . 1 1 87 87 ASP C C 87 175.177 175.177 178.048 -2.871 18218 1015 1 2 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.902 -3.133 18218 1016 1 2 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.614 -4.284 18218 1017 1 2 . 1 1 87 87 ASP H H 87 8.295 8.295 8.563 -0.268 18218 1018 1 2 . 1 1 88 88 TYR N N 88 122.430 122.430 119.782 2.648 18218 1019 1 2 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.148 -0.032 18218 1020 1 2 . 1 1 88 88 TYR C C 88 174.772 174.772 176.743 -1.971 18218 1021 1 2 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.012 -1.470 18218 1022 1 2 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.241 -3.113 18218 1023 1 2 . 1 1 88 88 TYR H H 88 7.919 7.919 8.096 -0.177 18218 1024 1 2 . 1 1 89 89 VAL N N 89 118.321 118.321 120.691 -2.370 18218 1025 1 2 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.702 -0.276 18218 1026 1 2 . 1 1 89 89 VAL C C 89 176.101 176.101 176.183 -0.082 18218 1027 1 2 . 1 1 89 89 VAL CA C 89 62.794 62.794 65.108 -2.314 18218 1028 1 2 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.181 -4.330 18218 1029 1 2 . 1 1 89 89 VAL H H 89 8.121 8.121 7.955 0.166 18218 1030 1 2 . 1 1 90 90 LYS N N 90 120.272 120.272 118.221 2.051 18218 1031 1 2 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.982 0.027 18218 1032 1 2 . 1 1 90 90 LYS C C 90 176.126 176.126 175.530 0.596 18218 1033 1 2 . 1 1 90 90 LYS CA C 90 55.851 55.851 57.387 -1.536 18218 1034 1 2 . 1 1 90 90 LYS CB C 90 28.610 28.610 30.872 -2.261 18218 1035 1 2 . 1 1 90 90 LYS H H 90 7.708 7.708 8.359 -0.651 18218 1036 1 2 . 1 1 91 91 ARG N N 91 119.904 119.904 120.548 -0.644 18218 1037 1 2 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.446 -0.418 18218 1038 1 2 . 1 1 91 91 ARG C C 91 175.544 175.544 175.370 0.174 18218 1039 1 2 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.855 -0.669 18218 1040 1 2 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.205 -4.936 18218 1041 1 2 . 1 1 91 91 ARG H H 91 7.685 7.685 8.483 -0.798 18218 1042 1 2 . 1 1 92 92 MET N N 92 118.654 118.654 120.633 -1.979 18218 1043 1 2 . 1 1 92 92 MET HA H 92 4.248 4.248 4.122 0.126 18218 1044 1 2 . 1 1 92 92 MET C C 92 174.810 174.810 174.947 -0.137 18218 1045 1 2 . 1 1 92 92 MET CA C 92 53.508 53.508 56.028 -2.520 18218 1046 1 2 . 1 1 92 92 MET CB C 92 26.016 26.016 32.730 -6.714 18218 1047 1 2 . 1 1 92 92 MET H H 92 7.790 7.790 8.128 -0.338 18218 1048 1 2 . 1 1 93 93 ALA N N 93 122.890 122.890 126.160 -3.270 18218 1049 1 2 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.059 0.152 18218 1050 1 2 . 1 1 93 93 ALA C C 93 175.633 175.633 176.050 -0.417 18218 1051 1 2 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.283 -2.361 18218 1052 1 2 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.002 -3.743 18218 1053 1 2 . 1 1 93 93 ALA H H 93 7.648 7.648 8.496 -0.848 18218 1054 1 2 . 1 1 94 94 GLN N N 94 119.315 119.315 120.392 -1.077 18218 1055 1 2 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.272 -0.073 18218 1056 1 2 . 1 1 94 94 GLN C C 94 173.676 173.676 176.905 -3.229 18218 1057 1 2 . 1 1 94 94 GLN CA C 94 53.364 53.364 57.065 -3.701 18218 1058 1 2 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.942 -3.052 18218 1059 1 2 . 1 1 94 94 GLN H H 94 7.887 7.887 8.763 -0.876 18218 1060 1 2 . 1 1 95 95 ASP N N 95 121.546 121.546 119.994 1.552 18218 1061 1 2 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.480 0.080 18218 1062 1 2 . 1 1 95 95 ASP CA C 95 51.484 51.484 55.481 -3.997 18218 1063 1 2 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.817 -3.095 18218 1064 1 2 . 1 1 95 95 ASP H H 95 8.199 8.199 8.385 -0.186 18218 1065 1 2 . 1 1 96 96 ALA N N 96 125.033 125.033 120.550 4.483 18218 1066 1 2 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.155 0.100 18218 1067 1 2 . 1 1 96 96 ALA C C 96 175.645 175.645 176.706 -1.061 18218 1068 1 2 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.040 -2.263 18218 1069 1 2 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.983 -3.407 18218 1070 1 2 . 1 1 96 96 ALA H H 96 8.062 8.062 7.832 0.230 18218 1071 1 2 . 1 1 97 97 GLY N N 97 108.048 108.048 108.363 -0.315 18218 1072 1 2 . 1 1 97 97 GLY C C 97 171.418 171.418 174.838 -3.420 18218 1073 1 2 . 1 1 97 97 GLY CA C 97 42.140 42.140 46.422 -4.282 18218 1074 1 2 . 1 1 97 97 GLY H H 97 8.196 8.196 9.343 -1.147 18218 1075 1 2 . 1 1 98 98 GLU N N 98 121.445 121.445 119.447 1.998 18218 1076 1 2 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.162 0.103 18218 1077 1 2 . 1 1 98 98 GLU C C 98 172.987 172.987 176.837 -3.850 18218 1078 1 2 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.651 -3.374 18218 1079 1 2 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.444 -3.048 18218 1080 1 2 . 1 1 98 98 GLU H H 98 8.086 8.086 8.652 -0.566 18218 1081 1 3 . 1 1 2 2 SER N N 2 116.234 116.234 118.626 -2.392 18218 1082 1 3 . 1 1 2 2 SER HA H 2 4.828 4.828 4.707 0.121 18218 1083 1 3 . 1 1 2 2 SER C C 2 171.696 171.696 174.176 -2.480 18218 1084 1 3 . 1 1 2 2 SER CA C 2 55.273 55.273 57.618 -2.345 18218 1085 1 3 . 1 1 2 2 SER CB C 2 60.624 60.624 62.941 -2.317 18218 1086 1 3 . 1 1 2 2 SER H H 2 7.958 7.958 8.518 -0.560 18218 1087 1 3 . 1 1 3 3 ALA N N 3 125.895 125.895 127.152 -1.257 18218 1088 1 3 . 1 1 3 3 ALA C C 3 174.633 174.633 177.170 -2.537 18218 1089 1 3 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.433 -2.714 18218 1090 1 3 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.231 -3.719 18218 1091 1 3 . 1 1 3 3 ALA H H 3 8.273 8.273 8.369 -0.096 18218 1092 1 3 . 1 1 4 4 ASN N N 4 118.166 118.166 123.574 -5.408 18218 1093 1 3 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.566 0.034 18218 1094 1 3 . 1 1 4 4 ASN C C 4 172.089 172.089 175.203 -3.114 18218 1095 1 3 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.301 -3.032 18218 1096 1 3 . 1 1 4 4 ASN CB C 4 35.571 35.571 37.357 -1.786 18218 1097 1 3 . 1 1 4 4 ASN H H 4 8.307 8.307 8.542 -0.235 18218 1098 1 3 . 1 1 5 5 ARG N N 5 121.553 121.553 121.883 -0.330 18218 1099 1 3 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.084 0.085 18218 1100 1 3 . 1 1 5 5 ARG C C 5 173.013 173.013 175.628 -2.615 18218 1101 1 3 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.646 -3.832 18218 1102 1 3 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.300 -3.082 18218 1103 1 3 . 1 1 5 5 ARG H H 5 8.058 8.058 8.082 -0.024 18218 1104 1 3 . 1 1 6 6 ARG N N 6 122.689 122.689 121.530 1.159 18218 1105 1 3 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.136 -0.195 18218 1106 1 3 . 1 1 6 6 ARG C C 6 173.392 173.392 176.614 -3.222 18218 1107 1 3 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.882 -4.617 18218 1108 1 3 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.588 -4.382 18218 1109 1 3 . 1 1 6 6 ARG H H 6 8.122 8.122 8.643 -0.521 18218 1110 1 3 . 1 1 7 7 TRP N N 7 120.901 120.901 117.587 3.314 18218 1111 1 3 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.269 0.149 18218 1112 1 3 . 1 1 7 7 TRP C C 7 172.557 172.557 177.422 -4.865 18218 1113 1 3 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.977 -3.456 18218 1114 1 3 . 1 1 7 7 TRP CB C 7 26.079 26.079 28.164 -2.085 18218 1115 1 3 . 1 1 7 7 TRP H H 7 7.585 7.585 8.274 -0.689 18218 1116 1 3 . 1 1 8 8 TRP N N 8 118.192 118.192 117.664 0.528 18218 1117 1 3 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.155 0.296 18218 1118 1 3 . 1 1 8 8 TRP C C 8 171.456 171.456 176.318 -4.862 18218 1119 1 3 . 1 1 8 8 TRP CA C 8 53.942 53.942 58.693 -4.751 18218 1120 1 3 . 1 1 8 8 TRP CB C 8 25.510 25.510 28.827 -3.317 18218 1121 1 3 . 1 1 8 8 TRP H H 8 6.811 6.811 8.346 -1.535 18218 1122 1 3 . 1 1 9 9 VAL N N 9 122.005 122.005 120.131 1.874 18218 1123 1 3 . 1 1 9 9 VAL HA H 9 4.152 4.152 3.943 0.209 18218 1124 1 3 . 1 1 9 9 VAL C C 9 170.671 170.671 173.696 -3.025 18218 1125 1 3 . 1 1 9 9 VAL CA C 9 56.083 56.083 62.910 -6.827 18218 1126 1 3 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.048 -2.868 18218 1127 1 3 . 1 1 9 9 VAL H H 9 6.949 6.949 8.383 -1.434 18218 1128 1 3 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.202 -1.870 18218 1129 1 3 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.266 -2.883 18218 1130 1 3 . 1 1 12 12 ASP N N 12 119.443 119.443 118.897 0.546 18218 1131 1 3 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.508 0.016 18218 1132 1 3 . 1 1 12 12 ASP C C 12 174.215 174.215 176.479 -2.264 18218 1133 1 3 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.847 -4.421 18218 1134 1 3 . 1 1 12 12 ASP CB C 12 37.279 37.279 40.978 -3.699 18218 1135 1 3 . 1 1 12 12 ASP H H 12 8.241 8.241 8.390 -0.149 18218 1136 1 3 . 1 1 13 13 ASP N N 13 119.369 119.369 117.982 1.387 18218 1137 1 3 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.624 -0.044 18218 1138 1 3 . 1 1 13 13 ASP C C 13 175.379 175.379 174.220 1.159 18218 1139 1 3 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.230 -3.123 18218 1140 1 3 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.198 -3.856 18218 1141 1 3 . 1 1 13 13 ASP H H 13 7.980 7.980 7.880 0.100 18218 1142 1 3 . 1 1 14 14 GLU N N 14 121.036 121.036 121.381 -0.345 18218 1143 1 3 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.045 0.115 18218 1144 1 3 . 1 1 14 14 GLU C C 14 173.633 173.633 174.950 -1.317 18218 1145 1 3 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.887 -2.771 18218 1146 1 3 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.146 -3.940 18218 1147 1 3 . 1 1 14 14 GLU H H 14 8.197 8.197 8.285 -0.088 18218 1148 1 3 . 1 1 15 15 ASP N N 15 120.130 120.130 123.314 -3.184 18218 1149 1 3 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.832 -0.190 18218 1150 1 3 . 1 1 15 15 ASP C C 15 173.595 173.595 175.473 -1.878 18218 1151 1 3 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.565 -2.110 18218 1152 1 3 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.487 -3.018 18218 1153 1 3 . 1 1 15 15 ASP H H 15 8.308 8.308 8.611 -0.303 18218 1154 1 3 . 1 1 16 16 CYS N N 16 118.700 118.700 123.176 -4.476 18218 1155 1 3 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.675 -0.224 18218 1156 1 3 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.167 -3.431 18218 1157 1 3 . 1 1 16 16 CYS CB C 16 24.687 24.687 29.864 -5.177 18218 1158 1 3 . 1 1 16 16 CYS H H 16 7.968 7.968 8.626 -0.658 18218 1159 1 3 . 1 1 17 17 VAL N N 17 123.275 123.275 119.663 3.612 18218 1160 1 3 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.173 -0.445 18218 1161 1 3 . 1 1 17 17 VAL C C 17 174.430 174.430 175.385 -0.955 18218 1162 1 3 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.917 -0.413 18218 1163 1 3 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.162 -3.931 18218 1164 1 3 . 1 1 17 17 VAL H H 17 8.550 8.550 8.145 0.405 18218 1165 1 3 . 1 1 18 18 SER N N 18 116.499 116.499 114.235 2.264 18218 1166 1 3 . 1 1 18 18 SER HA H 18 3.822 3.822 4.144 -0.322 18218 1167 1 3 . 1 1 18 18 SER CA C 18 58.484 58.484 59.137 -0.653 18218 1168 1 3 . 1 1 18 18 SER CB C 18 59.109 59.109 63.404 -4.295 18218 1169 1 3 . 1 1 18 18 SER H H 18 8.447 8.447 8.039 0.408 18218 1170 1 3 . 1 1 19 19 GLU N N 19 121.940 121.940 122.541 -0.601 18218 1171 1 3 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.970 0.040 18218 1172 1 3 . 1 1 19 19 GLU C C 19 175.544 175.544 178.578 -3.034 18218 1173 1 3 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.707 -4.087 18218 1174 1 3 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.347 -3.900 18218 1175 1 3 . 1 1 19 19 GLU H H 19 7.686 7.686 9.014 -1.328 18218 1176 1 3 . 1 1 20 20 LYS N N 20 119.855 119.855 120.823 -0.968 18218 1177 1 3 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.088 -0.168 18218 1178 1 3 . 1 1 20 20 LYS C C 20 173.696 173.696 178.706 -5.010 18218 1179 1 3 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.285 -3.231 18218 1180 1 3 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.184 -3.257 18218 1181 1 3 . 1 1 20 20 LYS H H 20 7.898 7.898 7.677 0.221 18218 1182 1 3 . 1 1 21 21 LEU N N 21 119.542 119.542 121.760 -2.218 18218 1183 1 3 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.091 -0.050 18218 1184 1 3 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.761 -3.414 18218 1185 1 3 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.358 -2.940 18218 1186 1 3 . 1 1 21 21 LEU H H 21 8.056 8.056 8.173 -0.117 18218 1187 1 3 . 1 1 22 22 LEU N N 22 120.384 120.384 119.767 0.617 18218 1188 1 3 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.908 0.142 18218 1189 1 3 . 1 1 22 22 LEU CA C 22 54.347 54.347 57.881 -3.534 18218 1190 1 3 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.043 -3.131 18218 1191 1 3 . 1 1 22 22 LEU H H 22 8.097 8.097 8.485 -0.388 18218 1192 1 3 . 1 1 23 23 ARG N N 23 119.486 119.486 117.185 2.301 18218 1193 1 3 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.014 -0.019 18218 1194 1 3 . 1 1 23 23 ARG C C 23 175.443 175.443 178.010 -2.567 18218 1195 1 3 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.721 -2.899 18218 1196 1 3 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.445 -4.112 18218 1197 1 3 . 1 1 23 23 ARG H H 23 8.032 8.032 8.044 -0.012 18218 1198 1 3 . 1 1 24 24 LYS N N 24 119.009 119.009 117.481 1.528 18218 1199 1 3 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.118 0.022 18218 1200 1 3 . 1 1 24 24 LYS C C 24 175.633 175.633 177.539 -1.906 18218 1201 1 3 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.306 -3.583 18218 1202 1 3 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.582 -3.972 18218 1203 1 3 . 1 1 24 24 LYS H H 24 7.860 7.860 7.970 -0.110 18218 1204 1 3 . 1 1 25 25 THR N N 25 112.776 112.776 114.380 -1.604 18218 1205 1 3 . 1 1 25 25 THR HA H 25 4.005 4.005 4.244 -0.239 18218 1206 1 3 . 1 1 25 25 THR C C 25 172.646 172.646 173.248 -0.602 18218 1207 1 3 . 1 1 25 25 THR CA C 25 61.810 61.810 64.610 -2.800 18218 1208 1 3 . 1 1 25 25 THR CB C 25 65.753 65.753 69.491 -3.738 18218 1209 1 3 . 1 1 25 25 THR H H 25 7.867 7.867 7.757 0.110 18218 1210 1 3 . 1 1 26 26 ARG N N 26 119.996 119.996 122.670 -2.674 18218 1211 1 3 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.417 -0.270 18218 1212 1 3 . 1 1 26 26 ARG C C 26 174.278 174.278 174.953 -0.675 18218 1213 1 3 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.300 -1.953 18218 1214 1 3 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.971 -3.943 18218 1215 1 3 . 1 1 26 26 ARG H H 26 7.765 7.765 8.629 -0.864 18218 1216 1 3 . 1 1 27 27 GLU N N 27 118.067 118.067 121.938 -3.871 18218 1217 1 3 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.009 0.278 18218 1218 1 3 . 1 1 27 27 GLU C C 27 173.582 173.582 175.193 -1.611 18218 1219 1 3 . 1 1 27 27 GLU CA C 27 53.364 53.364 57.465 -4.101 18218 1220 1 3 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.182 -3.976 18218 1221 1 3 . 1 1 27 27 GLU H H 27 7.764 7.764 8.435 -0.671 18218 1222 1 3 . 1 1 28 28 SER N N 28 115.900 115.900 115.274 0.626 18218 1223 1 3 . 1 1 28 28 SER HA H 28 4.740 4.740 4.328 0.412 18218 1224 1 3 . 1 1 28 28 SER C C 28 170.481 170.481 172.349 -1.868 18218 1225 1 3 . 1 1 28 28 SER CA C 28 53.132 53.132 58.417 -5.285 18218 1226 1 3 . 1 1 28 28 SER CB C 28 60.624 60.624 63.528 -2.904 18218 1227 1 3 . 1 1 28 28 SER H H 28 7.630 7.630 8.406 -0.776 18218 1228 1 3 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.633 -0.097 18218 1229 1 3 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.342 -2.050 18218 1230 1 3 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.562 -3.115 18218 1231 1 3 . 1 1 30 30 LEU N N 30 120.365 120.365 119.282 1.083 18218 1232 1 3 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.483 -0.274 18218 1233 1 3 . 1 1 30 30 LEU CA C 30 52.756 52.756 55.923 -3.167 18218 1234 1 3 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.547 -3.623 18218 1235 1 3 . 1 1 30 30 LEU H H 30 8.034 8.034 8.438 -0.404 18218 1236 1 3 . 1 1 31 31 VAL N N 31 117.988 117.988 121.077 -3.089 18218 1237 1 3 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.705 0.528 18218 1238 1 3 . 1 1 31 31 VAL C C 31 171.899 171.899 175.431 -3.532 18218 1239 1 3 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.649 -11.062 18218 1240 1 3 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.798 -1.088 18218 1241 1 3 . 1 1 31 31 VAL H H 31 7.499 7.499 8.636 -1.137 18218 1242 1 3 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.335 0.202 18218 1243 1 3 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.665 -5.569 18218 1244 1 3 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.112 -3.362 18218 1245 1 3 . 1 1 33 33 ILE N N 33 121.507 121.507 119.054 2.453 18218 1246 1 3 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.651 0.268 18218 1247 1 3 . 1 1 33 33 ILE C C 33 173.025 173.025 178.518 -5.493 18218 1248 1 3 . 1 1 33 33 ILE CA C 33 59.872 59.872 63.615 -3.743 18218 1249 1 3 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.591 -2.096 18218 1250 1 3 . 1 1 33 33 ILE H H 33 7.982 7.982 8.109 -0.127 18218 1251 1 3 . 1 1 34 34 GLY N N 34 111.381 111.381 106.782 4.599 18218 1252 1 3 . 1 1 34 34 GLY C C 34 172.987 172.987 176.064 -3.077 18218 1253 1 3 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.923 -3.915 18218 1254 1 3 . 1 1 34 34 GLY H H 34 8.540 8.540 8.643 -0.103 18218 1255 1 3 . 1 1 35 35 LEU N N 35 122.626 122.626 123.198 -0.572 18218 1256 1 3 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.920 0.329 18218 1257 1 3 . 1 1 35 35 LEU C C 35 175.637 175.637 178.810 -3.173 18218 1258 1 3 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.689 -3.457 18218 1259 1 3 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.490 -2.882 18218 1260 1 3 . 1 1 35 35 LEU H H 35 7.964 7.964 7.620 0.344 18218 1261 1 3 . 1 1 36 36 GLY N N 36 106.708 106.708 106.405 0.303 18218 1262 1 3 . 1 1 36 36 GLY C C 36 172.647 172.647 176.219 -3.572 18218 1263 1 3 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.397 -2.970 18218 1264 1 3 . 1 1 36 36 GLY H H 36 8.521 8.521 8.507 0.014 18218 1265 1 3 . 1 1 37 37 GLY N N 37 108.586 108.586 107.987 0.599 18218 1266 1 3 . 1 1 37 37 GLY C C 37 173.291 173.291 175.548 -2.257 18218 1267 1 3 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.655 -2.519 18218 1268 1 3 . 1 1 37 37 GLY H H 37 8.270 8.270 8.407 -0.137 18218 1269 1 3 . 1 1 38 38 CYS N N 38 119.678 119.678 120.300 -0.622 18218 1270 1 3 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.174 0.070 18218 1271 1 3 . 1 1 38 38 CYS C C 38 174.215 174.215 176.241 -2.026 18218 1272 1 3 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.957 -3.721 18218 1273 1 3 . 1 1 38 38 CYS CB C 38 23.359 23.359 28.104 -4.745 18218 1274 1 3 . 1 1 38 38 CYS H H 38 7.836 7.836 7.901 -0.065 18218 1275 1 3 . 1 1 39 39 LEU N N 39 120.798 120.798 121.475 -0.677 18218 1276 1 3 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.072 0.041 18218 1277 1 3 . 1 1 39 39 LEU C C 39 175.506 175.506 179.001 -3.495 18218 1278 1 3 . 1 1 39 39 LEU CA C 39 54.868 54.868 57.890 -3.022 18218 1279 1 3 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.398 -3.549 18218 1280 1 3 . 1 1 39 39 LEU H H 39 7.999 7.999 8.103 -0.104 18218 1281 1 3 . 1 1 40 40 VAL N N 40 118.510 118.510 119.917 -1.407 18218 1282 1 3 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.657 -0.061 18218 1283 1 3 . 1 1 40 40 VAL C C 40 174.544 174.544 177.613 -3.069 18218 1284 1 3 . 1 1 40 40 VAL CA C 40 63.719 63.719 67.298 -3.579 18218 1285 1 3 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.937 -4.023 18218 1286 1 3 . 1 1 40 40 VAL H H 40 7.803 7.803 8.022 -0.219 18218 1287 1 3 . 1 1 41 41 VAL N N 41 119.131 119.131 119.733 -0.602 18218 1288 1 3 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.517 0.175 18218 1289 1 3 . 1 1 41 41 VAL C C 41 175.924 175.924 177.362 -1.438 18218 1290 1 3 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.576 -3.117 18218 1291 1 3 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.744 -3.703 18218 1292 1 3 . 1 1 41 41 VAL H H 41 7.624 7.624 8.076 -0.452 18218 1293 1 3 . 1 1 42 42 ALA N N 42 122.172 122.172 121.276 0.896 18218 1294 1 3 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.978 0.127 18218 1295 1 3 . 1 1 42 42 ALA C C 42 176.582 176.582 178.557 -1.975 18218 1296 1 3 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.347 -3.082 18218 1297 1 3 . 1 1 42 42 ALA CB C 42 14.880 14.880 18.089 -3.209 18218 1298 1 3 . 1 1 42 42 ALA H H 42 8.008 8.008 8.504 -0.496 18218 1299 1 3 . 1 1 43 43 ALA N N 43 119.990 119.990 122.615 -2.625 18218 1300 1 3 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.090 -0.099 18218 1301 1 3 . 1 1 43 43 ALA C C 43 176.455 176.455 179.334 -2.879 18218 1302 1 3 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.982 -2.689 18218 1303 1 3 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.060 -3.180 18218 1304 1 3 . 1 1 43 43 ALA H H 43 8.400 8.400 7.705 0.695 18218 1305 1 3 . 1 1 44 44 TYR N N 44 118.221 118.221 119.910 -1.689 18218 1306 1 3 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.052 0.167 18218 1307 1 3 . 1 1 44 44 TYR C C 44 175.177 175.177 177.797 -2.620 18218 1308 1 3 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.050 -3.769 18218 1309 1 3 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.694 -4.072 18218 1310 1 3 . 1 1 44 44 TYR H H 44 8.345 8.345 8.716 -0.371 18218 1311 1 3 . 1 1 45 45 ARG N N 45 119.104 119.104 120.053 -0.949 18218 1312 1 3 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.965 -0.132 18218 1313 1 3 . 1 1 45 45 ARG C C 45 176.531 176.531 178.724 -2.193 18218 1314 1 3 . 1 1 45 45 ARG CA C 45 56.430 56.430 60.165 -3.735 18218 1315 1 3 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.172 -3.966 18218 1316 1 3 . 1 1 45 45 ARG H H 45 8.275 8.275 8.082 0.193 18218 1317 1 3 . 1 1 46 46 ILE N N 46 119.719 119.719 119.821 -0.102 18218 1318 1 3 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.616 0.085 18218 1319 1 3 . 1 1 46 46 ILE C C 46 174.873 174.873 177.864 -2.991 18218 1320 1 3 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.912 -4.478 18218 1321 1 3 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.843 -3.981 18218 1322 1 3 . 1 1 46 46 ILE H H 46 8.119 8.119 8.579 -0.460 18218 1323 1 3 . 1 1 47 47 TYR N N 47 121.419 121.419 119.050 2.369 18218 1324 1 3 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.901 0.081 18218 1325 1 3 . 1 1 47 47 TYR C C 47 175.544 175.544 177.983 -2.439 18218 1326 1 3 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.122 -3.523 18218 1327 1 3 . 1 1 47 47 TYR CB C 47 34.875 34.875 37.781 -2.906 18218 1328 1 3 . 1 1 47 47 TYR H H 47 8.383 8.383 8.159 0.224 18218 1329 1 3 . 1 1 48 48 ARG N N 48 118.278 118.278 117.710 0.568 18218 1330 1 3 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.902 -0.210 18218 1331 1 3 . 1 1 48 48 ARG C C 48 175.671 175.671 178.377 -2.706 18218 1332 1 3 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.534 -3.579 18218 1333 1 3 . 1 1 48 48 ARG CB C 48 25.953 25.953 29.876 -3.923 18218 1334 1 3 . 1 1 48 48 ARG H H 48 8.074 8.074 7.851 0.223 18218 1335 1 3 . 1 1 49 49 LEU N N 49 120.350 120.350 120.512 -0.162 18218 1336 1 3 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.988 0.160 18218 1337 1 3 . 1 1 49 49 LEU C C 49 175.772 175.772 178.864 -3.092 18218 1338 1 3 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.571 -4.062 18218 1339 1 3 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.497 -3.016 18218 1340 1 3 . 1 1 49 49 LEU H H 49 7.744 7.744 8.160 -0.416 18218 1341 1 3 . 1 1 50 50 ARG N N 50 117.990 117.990 118.260 -0.270 18218 1342 1 3 . 1 1 50 50 ARG HA H 50 4.154 4.154 3.948 0.206 18218 1343 1 3 . 1 1 50 50 ARG C C 50 174.139 174.139 177.584 -3.445 18218 1344 1 3 . 1 1 50 50 ARG CA C 50 54.058 54.058 58.525 -4.467 18218 1345 1 3 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.343 -4.137 18218 1346 1 3 . 1 1 50 50 ARG H H 50 7.686 7.686 8.095 -0.409 18218 1347 1 3 . 1 1 51 51 SER N N 51 115.124 115.124 113.588 1.536 18218 1348 1 3 . 1 1 51 51 SER HA H 51 4.274 4.274 4.495 -0.221 18218 1349 1 3 . 1 1 51 51 SER C C 51 172.392 172.392 172.828 -0.436 18218 1350 1 3 . 1 1 51 51 SER CA C 51 56.112 56.112 57.705 -1.593 18218 1351 1 3 . 1 1 51 51 SER CB C 51 60.075 60.075 64.913 -4.838 18218 1352 1 3 . 1 1 51 51 SER H H 51 7.873 7.873 7.704 0.169 18218 1353 1 3 . 1 1 52 52 ARG N N 52 122.132 122.132 125.926 -3.794 18218 1354 1 3 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.505 -0.229 18218 1355 1 3 . 1 1 52 52 ARG C C 52 174.316 174.316 176.959 -2.643 18218 1356 1 3 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.286 -1.864 18218 1357 1 3 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.972 -5.640 18218 1358 1 3 . 1 1 52 52 ARG H H 52 7.923 7.923 8.776 -0.853 18218 1359 1 3 . 1 1 53 53 GLY N N 53 108.907 108.907 114.221 -5.314 18218 1360 1 3 . 1 1 53 53 GLY C C 53 171.405 171.405 174.203 -2.798 18218 1361 1 3 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.782 -3.323 18218 1362 1 3 . 1 1 53 53 GLY H H 53 8.142 8.142 8.387 -0.245 18218 1363 1 3 . 1 1 54 54 SER N N 54 115.609 115.609 113.041 2.568 18218 1364 1 3 . 1 1 54 54 SER HA H 54 4.470 4.470 4.401 0.069 18218 1365 1 3 . 1 1 54 54 SER C C 54 172.367 172.367 174.313 -1.946 18218 1366 1 3 . 1 1 54 54 SER CA C 54 55.504 55.504 58.499 -2.995 18218 1367 1 3 . 1 1 54 54 SER CB C 54 60.537 60.537 63.742 -3.205 18218 1368 1 3 . 1 1 54 54 SER H H 54 8.042 8.042 8.330 -0.288 18218 1369 1 3 . 1 1 55 55 THR N N 55 117.148 117.148 112.213 4.935 18218 1370 1 3 . 1 1 55 55 THR HA H 55 4.244 4.244 4.642 -0.398 18218 1371 1 3 . 1 1 55 55 THR C C 55 171.785 171.785 173.689 -1.904 18218 1372 1 3 . 1 1 55 55 THR CA C 55 59.612 59.612 62.570 -2.958 18218 1373 1 3 . 1 1 55 55 THR CB C 55 66.322 66.322 70.657 -4.335 18218 1374 1 3 . 1 1 55 55 THR H H 55 8.123 8.123 8.028 0.095 18218 1375 1 3 . 1 1 56 56 LYS N N 56 123.462 123.462 121.629 1.833 18218 1376 1 3 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.371 -0.127 18218 1377 1 3 . 1 1 56 56 LYS C C 56 173.848 173.848 174.850 -1.002 18218 1378 1 3 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.272 -2.706 18218 1379 1 3 . 1 1 56 56 LYS CB C 56 29.117 29.117 34.503 -5.386 18218 1380 1 3 . 1 1 56 56 LYS H H 56 8.184 8.184 7.697 0.487 18218 1381 1 3 . 1 1 57 57 MET N N 57 121.145 121.145 123.150 -2.005 18218 1382 1 3 . 1 1 57 57 MET HA H 57 4.425 4.425 4.226 0.199 18218 1383 1 3 . 1 1 57 57 MET C C 57 172.835 172.835 174.756 -1.921 18218 1384 1 3 . 1 1 57 57 MET CA C 57 52.930 52.930 55.578 -2.648 18218 1385 1 3 . 1 1 57 57 MET CB C 57 29.876 29.876 32.225 -2.349 18218 1386 1 3 . 1 1 57 57 MET H H 57 8.153 8.153 8.461 -0.308 18218 1387 1 3 . 1 1 58 58 SER N N 58 116.811 116.811 116.594 0.217 18218 1388 1 3 . 1 1 58 58 SER HA H 58 4.470 4.470 4.396 0.074 18218 1389 1 3 . 1 1 58 58 SER C C 58 171.620 171.620 176.078 -4.458 18218 1390 1 3 . 1 1 58 58 SER CA C 58 55.041 55.041 58.710 -3.669 18218 1391 1 3 . 1 1 58 58 SER CB C 58 60.653 60.653 63.932 -3.279 18218 1392 1 3 . 1 1 58 58 SER H H 58 7.895 7.895 8.023 -0.128 18218 1393 1 3 . 1 1 59 59 ILE N N 59 122.346 122.346 123.720 -1.374 18218 1394 1 3 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.278 -0.288 18218 1395 1 3 . 1 1 59 59 ILE C C 59 173.127 173.127 174.416 -1.289 18218 1396 1 3 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.370 -2.828 18218 1397 1 3 . 1 1 59 59 ILE CB C 59 34.938 34.938 36.156 -1.218 18218 1398 1 3 . 1 1 59 59 ILE H H 59 8.110 8.110 8.751 -0.641 18218 1399 1 3 . 1 1 60 60 HIS N N 60 121.006 121.006 123.286 -2.280 18218 1400 1 3 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.858 -0.844 18218 1401 1 3 . 1 1 60 60 HIS C C 60 172.443 172.443 173.809 -1.366 18218 1402 1 3 . 1 1 60 60 HIS CA C 60 53.364 53.364 55.890 -2.526 18218 1403 1 3 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.237 -4.727 18218 1404 1 3 . 1 1 60 60 HIS H H 60 8.235 8.235 8.066 0.169 18218 1405 1 3 . 1 1 61 61 LEU N N 61 120.472 120.472 122.216 -1.744 18218 1406 1 3 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.756 -0.567 18218 1407 1 3 . 1 1 61 61 LEU CA C 61 53.190 53.190 54.060 -0.870 18218 1408 1 3 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.475 -3.611 18218 1409 1 3 . 1 1 61 61 LEU H H 61 8.045 8.045 8.148 -0.103 18218 1410 1 3 . 1 1 62 62 ILE N N 62 117.281 117.281 121.572 -4.291 18218 1411 1 3 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.810 0.087 18218 1412 1 3 . 1 1 62 62 ILE CA C 62 59.149 59.149 63.601 -4.452 18218 1413 1 3 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.739 -4.308 18218 1414 1 3 . 1 1 62 62 ILE H H 62 7.555 7.555 8.429 -0.874 18218 1415 1 3 . 1 1 63 63 HIS N N 63 119.488 119.488 116.430 3.058 18218 1416 1 3 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.654 -0.017 18218 1417 1 3 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.364 -3.926 18218 1418 1 3 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.670 -4.540 18218 1419 1 3 . 1 1 63 63 HIS H H 63 8.179 8.179 8.386 -0.207 18218 1420 1 3 . 1 1 64 64 THR N N 64 112.132 112.132 113.497 -1.365 18218 1421 1 3 . 1 1 64 64 THR HA H 64 4.296 4.296 3.877 0.419 18218 1422 1 3 . 1 1 64 64 THR C C 64 175.063 175.063 175.602 -0.539 18218 1423 1 3 . 1 1 64 64 THR CA C 64 58.802 58.802 65.951 -7.149 18218 1424 1 3 . 1 1 64 64 THR CB C 64 67.588 67.588 67.473 0.115 18218 1425 1 3 . 1 1 64 64 THR H H 64 7.576 7.576 7.577 -0.001 18218 1426 1 3 . 1 1 65 65 ARG N N 65 123.493 123.493 123.703 -0.210 18218 1427 1 3 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.360 -0.064 18218 1428 1 3 . 1 1 65 65 ARG C C 65 175.633 175.633 176.244 -0.611 18218 1429 1 3 . 1 1 65 65 ARG CA C 65 55.331 55.331 55.497 -0.166 18218 1430 1 3 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.664 -3.521 18218 1431 1 3 . 1 1 65 65 ARG H H 65 8.713 8.713 8.472 0.241 18218 1432 1 3 . 1 1 66 66 VAL N N 66 117.974 117.974 122.014 -4.040 18218 1433 1 3 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.738 0.259 18218 1434 1 3 . 1 1 66 66 VAL C C 66 174.215 174.215 177.746 -3.531 18218 1435 1 3 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.916 -4.222 18218 1436 1 3 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.960 -3.919 18218 1437 1 3 . 1 1 66 66 VAL H H 66 7.987 7.987 7.574 0.413 18218 1438 1 3 . 1 1 67 67 ALA N N 67 123.016 123.016 122.362 0.654 18218 1439 1 3 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.032 -0.032 18218 1440 1 3 . 1 1 67 67 ALA C C 67 175.367 175.367 179.447 -4.080 18218 1441 1 3 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.305 -3.185 18218 1442 1 3 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.089 -3.336 18218 1443 1 3 . 1 1 67 67 ALA H H 67 7.645 7.645 8.660 -1.015 18218 1444 1 3 . 1 1 68 68 ALA N N 68 120.682 120.682 119.988 0.694 18218 1445 1 3 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.948 0.231 18218 1446 1 3 . 1 1 68 68 ALA C C 68 178.354 178.354 180.021 -1.667 18218 1447 1 3 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.974 -2.825 18218 1448 1 3 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.225 -3.472 18218 1449 1 3 . 1 1 68 68 ALA H H 68 7.931 7.931 8.079 -0.148 18218 1450 1 3 . 1 1 69 69 GLN N N 69 119.129 119.129 119.267 -0.138 18218 1451 1 3 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.910 0.366 18218 1452 1 3 . 1 1 69 69 GLN C C 69 175.430 175.430 178.453 -3.023 18218 1453 1 3 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.837 -3.563 18218 1454 1 3 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.596 -3.466 18218 1455 1 3 . 1 1 69 69 GLN H H 69 8.213 8.213 8.111 0.102 18218 1456 1 3 . 1 1 70 70 ALA N N 70 122.065 122.065 122.014 0.051 18218 1457 1 3 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.737 0.263 18218 1458 1 3 . 1 1 70 70 ALA C C 70 176.734 176.734 179.310 -2.576 18218 1459 1 3 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.838 -2.689 18218 1460 1 3 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.529 -2.776 18218 1461 1 3 . 1 1 70 70 ALA H H 70 8.397 8.397 8.476 -0.079 18218 1462 1 3 . 1 1 71 71 CYS N N 71 115.893 115.893 116.500 -0.607 18218 1463 1 3 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.008 0.045 18218 1464 1 3 . 1 1 71 71 CYS C C 71 173.696 173.696 176.929 -3.233 18218 1465 1 3 . 1 1 71 71 CYS CA C 71 60.451 60.451 64.046 -3.595 18218 1466 1 3 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.303 -3.818 18218 1467 1 3 . 1 1 71 71 CYS H H 71 8.169 8.169 7.889 0.280 18218 1468 1 3 . 1 1 72 72 ALA N N 72 122.868 122.868 123.356 -0.488 18218 1469 1 3 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.096 0.164 18218 1470 1 3 . 1 1 72 72 ALA C C 72 177.886 177.886 179.180 -1.294 18218 1471 1 3 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.513 -3.480 18218 1472 1 3 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.097 -3.344 18218 1473 1 3 . 1 1 72 72 ALA H H 72 7.742 7.742 8.258 -0.516 18218 1474 1 3 . 1 1 73 73 VAL N N 73 118.066 118.066 115.884 2.182 18218 1475 1 3 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.592 0.184 18218 1476 1 3 . 1 1 73 73 VAL C C 73 175.696 175.696 178.068 -2.372 18218 1477 1 3 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.787 -3.138 18218 1478 1 3 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.424 -2.320 18218 1479 1 3 . 1 1 73 73 VAL H H 73 8.050 8.050 8.250 -0.200 18218 1480 1 3 . 1 1 74 74 GLY N N 74 109.146 109.146 108.670 0.476 18218 1481 1 3 . 1 1 74 74 GLY C C 74 171.962 171.962 175.315 -3.353 18218 1482 1 3 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.755 -2.185 18218 1483 1 3 . 1 1 74 74 GLY H H 74 8.648 8.648 7.894 0.754 18218 1484 1 3 . 1 1 75 75 ALA N N 75 123.035 123.035 125.349 -2.314 18218 1485 1 3 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.971 0.118 18218 1486 1 3 . 1 1 75 75 ALA C C 75 178.253 178.253 179.291 -1.038 18218 1487 1 3 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.993 -2.555 18218 1488 1 3 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.285 -3.595 18218 1489 1 3 . 1 1 75 75 ALA H H 75 8.213 8.213 8.167 0.046 18218 1490 1 3 . 1 1 76 76 ILE N N 76 120.121 120.121 119.881 0.240 18218 1491 1 3 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.571 0.258 18218 1492 1 3 . 1 1 76 76 ILE C C 76 176.506 176.506 177.570 -1.064 18218 1493 1 3 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.604 -3.286 18218 1494 1 3 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.020 -3.652 18218 1495 1 3 . 1 1 76 76 ILE H H 76 7.523 7.523 8.112 -0.589 18218 1496 1 3 . 1 1 77 77 MET N N 77 120.468 120.468 118.651 1.817 18218 1497 1 3 . 1 1 77 77 MET HA H 77 4.116 4.116 3.923 0.193 18218 1498 1 3 . 1 1 77 77 MET C C 77 175.038 175.038 178.669 -3.631 18218 1499 1 3 . 1 1 77 77 MET CA C 77 56.314 56.314 59.749 -3.435 18218 1500 1 3 . 1 1 77 77 MET CB C 77 34.242 34.242 32.249 1.993 18218 1501 1 3 . 1 1 77 77 MET H H 77 8.239 8.239 7.903 0.336 18218 1502 1 3 . 1 1 78 78 LEU N N 78 119.389 119.389 119.469 -0.080 18218 1503 1 3 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.899 0.065 18218 1504 1 3 . 1 1 78 78 LEU C C 78 176.202 176.202 178.843 -2.641 18218 1505 1 3 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.993 -4.125 18218 1506 1 3 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.635 -3.850 18218 1507 1 3 . 1 1 78 78 LEU H H 78 8.571 8.571 8.611 -0.040 18218 1508 1 3 . 1 1 79 79 GLY N N 79 105.857 105.857 106.401 -0.544 18218 1509 1 3 . 1 1 79 79 GLY C C 79 173.861 173.861 175.702 -1.841 18218 1510 1 3 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.378 -3.126 18218 1511 1 3 . 1 1 79 79 GLY H H 79 8.006 8.006 8.215 -0.209 18218 1512 1 3 . 1 1 80 80 ALA N N 80 125.631 125.631 125.083 0.548 18218 1513 1 3 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.899 0.396 18218 1514 1 3 . 1 1 80 80 ALA C C 80 177.544 177.544 179.589 -2.045 18218 1515 1 3 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.161 -3.157 18218 1516 1 3 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.336 -3.646 18218 1517 1 3 . 1 1 80 80 ALA H H 80 7.971 7.971 8.414 -0.443 18218 1518 1 3 . 1 1 81 81 VAL N N 81 118.858 118.858 119.708 -0.850 18218 1519 1 3 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.525 0.215 18218 1520 1 3 . 1 1 81 81 VAL C C 81 174.974 174.974 178.107 -3.133 18218 1521 1 3 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.162 -3.848 18218 1522 1 3 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.189 -3.401 18218 1523 1 3 . 1 1 81 81 VAL H H 81 8.206 8.206 8.190 0.016 18218 1524 1 3 . 1 1 82 82 TYR N N 82 121.151 121.151 119.483 1.668 18218 1525 1 3 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.061 0.216 18218 1526 1 3 . 1 1 82 82 TYR C C 82 176.038 176.038 178.874 -2.836 18218 1527 1 3 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.461 -2.659 18218 1528 1 3 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.013 -3.581 18218 1529 1 3 . 1 1 82 82 TYR H H 82 8.614 8.614 8.775 -0.161 18218 1530 1 3 . 1 1 83 83 THR N N 83 118.253 118.253 115.413 2.840 18218 1531 1 3 . 1 1 83 83 THR HA H 83 4.340 4.340 4.051 0.289 18218 1532 1 3 . 1 1 83 83 THR CA C 83 63.980 63.980 67.093 -3.113 18218 1533 1 3 . 1 1 83 83 THR CB C 83 65.437 65.437 68.700 -3.263 18218 1534 1 3 . 1 1 83 83 THR H H 83 8.361 8.361 8.600 -0.239 18218 1535 1 3 . 1 1 84 84 MET N N 84 121.616 121.616 122.234 -0.618 18218 1536 1 3 . 1 1 84 84 MET C C 84 175.949 175.949 177.814 -1.865 18218 1537 1 3 . 1 1 84 84 MET CA C 84 56.603 56.603 58.991 -2.388 18218 1538 1 3 . 1 1 84 84 MET CB C 84 29.180 29.180 32.254 -3.074 18218 1539 1 3 . 1 1 84 84 MET H H 84 8.053 8.053 8.564 -0.511 18218 1540 1 3 . 1 1 85 85 TYR N N 85 120.690 120.690 119.708 0.982 18218 1541 1 3 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.803 0.367 18218 1542 1 3 . 1 1 85 85 TYR C C 85 173.709 173.709 177.488 -3.779 18218 1543 1 3 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.660 -3.176 18218 1544 1 3 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.291 -3.353 18218 1545 1 3 . 1 1 85 85 TYR H H 85 8.543 8.543 8.468 0.075 18218 1546 1 3 . 1 1 86 86 SER N N 86 115.536 115.536 113.116 2.420 18218 1547 1 3 . 1 1 86 86 SER HA H 86 3.802 3.802 4.293 -0.491 18218 1548 1 3 . 1 1 86 86 SER C C 86 174.709 174.709 177.044 -2.335 18218 1549 1 3 . 1 1 86 86 SER CA C 86 58.542 58.542 61.255 -2.712 18218 1550 1 3 . 1 1 86 86 SER CB C 86 59.243 59.243 62.908 -3.665 18218 1551 1 3 . 1 1 86 86 SER H H 86 8.422 8.422 8.299 0.123 18218 1552 1 3 . 1 1 87 87 ASP N N 87 121.132 121.132 124.027 -2.895 18218 1553 1 3 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.422 -0.073 18218 1554 1 3 . 1 1 87 87 ASP C C 87 175.177 175.177 178.118 -2.941 18218 1555 1 3 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.164 -3.395 18218 1556 1 3 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.707 -4.377 18218 1557 1 3 . 1 1 87 87 ASP H H 87 8.295 8.295 8.264 0.031 18218 1558 1 3 . 1 1 88 88 TYR N N 88 122.430 122.430 117.994 4.436 18218 1559 1 3 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.110 0.006 18218 1560 1 3 . 1 1 88 88 TYR C C 88 174.772 174.772 177.318 -2.546 18218 1561 1 3 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.761 -2.219 18218 1562 1 3 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.043 -2.915 18218 1563 1 3 . 1 1 88 88 TYR H H 88 7.919 7.919 8.228 -0.309 18218 1564 1 3 . 1 1 89 89 VAL N N 89 118.321 118.321 118.529 -0.208 18218 1565 1 3 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.685 -0.259 18218 1566 1 3 . 1 1 89 89 VAL C C 89 176.101 176.101 176.809 -0.708 18218 1567 1 3 . 1 1 89 89 VAL CA C 89 62.794 62.794 64.787 -1.993 18218 1568 1 3 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.826 -3.975 18218 1569 1 3 . 1 1 89 89 VAL H H 89 8.121 8.121 7.779 0.342 18218 1570 1 3 . 1 1 90 90 LYS N N 90 120.272 120.272 116.002 4.270 18218 1571 1 3 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.964 0.045 18218 1572 1 3 . 1 1 90 90 LYS C C 90 176.126 176.126 175.742 0.384 18218 1573 1 3 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.823 -0.972 18218 1574 1 3 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.136 -2.526 18218 1575 1 3 . 1 1 90 90 LYS H H 90 7.708 7.708 8.495 -0.787 18218 1576 1 3 . 1 1 91 91 ARG N N 91 119.904 119.904 118.639 1.265 18218 1577 1 3 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.381 -0.353 18218 1578 1 3 . 1 1 91 91 ARG C C 91 175.544 175.544 174.909 0.635 18218 1579 1 3 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.554 -1.368 18218 1580 1 3 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.010 -4.741 18218 1581 1 3 . 1 1 91 91 ARG H H 91 7.685 7.685 8.394 -0.709 18218 1582 1 3 . 1 1 92 92 MET N N 92 118.654 118.654 118.706 -0.052 18218 1583 1 3 . 1 1 92 92 MET HA H 92 4.248 4.248 4.742 -0.494 18218 1584 1 3 . 1 1 92 92 MET C C 92 174.810 174.810 174.572 0.238 18218 1585 1 3 . 1 1 92 92 MET CA C 92 53.508 53.508 55.233 -1.725 18218 1586 1 3 . 1 1 92 92 MET CB C 92 26.016 26.016 35.485 -9.469 18218 1587 1 3 . 1 1 92 92 MET H H 92 7.790 7.790 7.843 -0.053 18218 1588 1 3 . 1 1 93 93 ALA N N 93 122.890 122.890 122.163 0.727 18218 1589 1 3 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.499 -0.288 18218 1590 1 3 . 1 1 93 93 ALA C C 93 175.633 175.633 177.206 -1.573 18218 1591 1 3 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.371 -2.450 18218 1592 1 3 . 1 1 93 93 ALA CB C 93 15.259 15.259 18.849 -3.590 18218 1593 1 3 . 1 1 93 93 ALA H H 93 7.648 7.648 8.446 -0.798 18218 1594 1 3 . 1 1 94 94 GLN N N 94 119.315 119.315 120.588 -1.273 18218 1595 1 3 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.038 0.161 18218 1596 1 3 . 1 1 94 94 GLN C C 94 173.676 173.676 175.524 -1.848 18218 1597 1 3 . 1 1 94 94 GLN CA C 94 53.364 53.364 57.644 -4.280 18218 1598 1 3 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.966 -3.076 18218 1599 1 3 . 1 1 94 94 GLN H H 94 7.887 7.887 8.724 -0.837 18218 1600 1 3 . 1 1 95 95 ASP N N 95 121.546 121.546 118.823 2.723 18218 1601 1 3 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.411 0.149 18218 1602 1 3 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.319 -2.836 18218 1603 1 3 . 1 1 95 95 ASP CB C 95 37.722 37.722 39.865 -2.143 18218 1604 1 3 . 1 1 95 95 ASP H H 95 8.199 8.199 8.346 -0.147 18218 1605 1 3 . 1 1 96 96 ALA N N 96 125.033 125.033 119.980 5.053 18218 1606 1 3 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.029 0.226 18218 1607 1 3 . 1 1 96 96 ALA C C 96 175.645 175.645 176.994 -1.349 18218 1608 1 3 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.681 -2.904 18218 1609 1 3 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.593 -3.017 18218 1610 1 3 . 1 1 96 96 ALA H H 96 8.062 8.062 8.270 -0.208 18218 1611 1 3 . 1 1 97 97 GLY N N 97 108.048 108.048 108.401 -0.353 18218 1612 1 3 . 1 1 97 97 GLY C C 97 171.418 171.418 173.810 -2.392 18218 1613 1 3 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.500 -3.360 18218 1614 1 3 . 1 1 97 97 GLY H H 97 8.196 8.196 8.641 -0.445 18218 1615 1 3 . 1 1 98 98 GLU N N 98 121.445 121.445 122.312 -0.867 18218 1616 1 3 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.351 -0.086 18218 1617 1 3 . 1 1 98 98 GLU C C 98 172.987 172.987 175.393 -2.406 18218 1618 1 3 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.612 -3.335 18218 1619 1 3 . 1 1 98 98 GLU CB C 98 26.396 26.396 31.129 -4.733 18218 1620 1 3 . 1 1 98 98 GLU H H 98 8.086 8.086 8.332 -0.246 18218 1621 1 4 . 1 1 2 2 SER N N 2 116.234 116.234 121.852 -5.618 18218 1622 1 4 . 1 1 2 2 SER HA H 2 4.828 4.828 4.570 0.258 18218 1623 1 4 . 1 1 2 2 SER C C 2 171.696 171.696 173.211 -1.515 18218 1624 1 4 . 1 1 2 2 SER CA C 2 55.273 55.273 58.831 -3.558 18218 1625 1 4 . 1 1 2 2 SER CB C 2 60.624 60.624 63.949 -3.325 18218 1626 1 4 . 1 1 2 2 SER H H 2 7.958 7.958 8.561 -0.603 18218 1627 1 4 . 1 1 3 3 ALA N N 3 125.895 125.895 126.568 -0.673 18218 1628 1 4 . 1 1 3 3 ALA C C 3 174.633 174.633 174.957 -0.324 18218 1629 1 4 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.292 -2.573 18218 1630 1 4 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.270 -3.758 18218 1631 1 4 . 1 1 3 3 ALA H H 3 8.273 8.273 8.500 -0.227 18218 1632 1 4 . 1 1 4 4 ASN N N 4 118.166 118.166 118.527 -0.361 18218 1633 1 4 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.729 -0.129 18218 1634 1 4 . 1 1 4 4 ASN C C 4 172.089 172.089 173.742 -1.653 18218 1635 1 4 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.262 -2.993 18218 1636 1 4 . 1 1 4 4 ASN CB C 4 35.571 35.571 39.650 -4.079 18218 1637 1 4 . 1 1 4 4 ASN H H 4 8.307 8.307 8.453 -0.146 18218 1638 1 4 . 1 1 5 5 ARG N N 5 121.553 121.553 122.680 -1.127 18218 1639 1 4 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.950 -0.781 18218 1640 1 4 . 1 1 5 5 ARG C C 5 173.013 173.013 174.934 -1.921 18218 1641 1 4 . 1 1 5 5 ARG CA C 5 52.814 52.814 55.506 -2.692 18218 1642 1 4 . 1 1 5 5 ARG CB C 5 27.218 27.218 33.003 -5.785 18218 1643 1 4 . 1 1 5 5 ARG H H 5 8.058 8.058 8.397 -0.339 18218 1644 1 4 . 1 1 6 6 ARG N N 6 122.689 122.689 121.561 1.128 18218 1645 1 4 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.014 -0.073 18218 1646 1 4 . 1 1 6 6 ARG C C 6 173.392 173.392 173.695 -0.303 18218 1647 1 4 . 1 1 6 6 ARG CA C 6 52.265 52.265 54.902 -2.637 18218 1648 1 4 . 1 1 6 6 ARG CB C 6 26.206 26.206 32.166 -5.960 18218 1649 1 4 . 1 1 6 6 ARG H H 6 8.122 8.122 8.458 -0.336 18218 1650 1 4 . 1 1 7 7 TRP N N 7 120.901 120.901 120.447 0.454 18218 1651 1 4 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.658 -0.240 18218 1652 1 4 . 1 1 7 7 TRP C C 7 172.557 172.557 174.618 -2.061 18218 1653 1 4 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.332 -1.811 18218 1654 1 4 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.750 -3.671 18218 1655 1 4 . 1 1 7 7 TRP H H 7 7.585 7.585 7.598 -0.013 18218 1656 1 4 . 1 1 8 8 TRP N N 8 118.192 118.192 122.799 -4.607 18218 1657 1 4 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.760 -0.309 18218 1658 1 4 . 1 1 8 8 TRP C C 8 171.456 171.456 176.104 -4.648 18218 1659 1 4 . 1 1 8 8 TRP CA C 8 53.942 53.942 57.623 -3.681 18218 1660 1 4 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.550 -4.040 18218 1661 1 4 . 1 1 8 8 TRP H H 8 6.811 6.811 8.228 -1.417 18218 1662 1 4 . 1 1 9 9 VAL N N 9 122.005 122.005 116.099 5.906 18218 1663 1 4 . 1 1 9 9 VAL HA H 9 4.152 4.152 3.964 0.188 18218 1664 1 4 . 1 1 9 9 VAL C C 9 170.671 170.671 173.752 -3.081 18218 1665 1 4 . 1 1 9 9 VAL CA C 9 56.083 56.083 62.331 -6.248 18218 1666 1 4 . 1 1 9 9 VAL CB C 9 29.180 29.180 30.487 -1.307 18218 1667 1 4 . 1 1 9 9 VAL H H 9 6.949 6.949 8.190 -1.241 18218 1668 1 4 . 1 1 11 11 PRO CA C 11 60.332 60.332 63.212 -2.880 18218 1669 1 4 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.138 -2.755 18218 1670 1 4 . 1 1 12 12 ASP N N 12 119.443 119.443 119.798 -0.355 18218 1671 1 4 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.475 0.049 18218 1672 1 4 . 1 1 12 12 ASP C C 12 174.215 174.215 174.916 -0.701 18218 1673 1 4 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.115 -3.689 18218 1674 1 4 . 1 1 12 12 ASP CB C 12 37.279 37.279 40.756 -3.477 18218 1675 1 4 . 1 1 12 12 ASP H H 12 8.241 8.241 8.250 -0.009 18218 1676 1 4 . 1 1 13 13 ASP N N 13 119.369 119.369 120.830 -1.461 18218 1677 1 4 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.753 -0.173 18218 1678 1 4 . 1 1 13 13 ASP C C 13 175.379 175.379 176.291 -0.912 18218 1679 1 4 . 1 1 13 13 ASP CA C 13 51.107 51.107 53.511 -2.404 18218 1680 1 4 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.520 -5.178 18218 1681 1 4 . 1 1 13 13 ASP H H 13 7.980 7.980 7.846 0.134 18218 1682 1 4 . 1 1 14 14 GLU N N 14 121.036 121.036 123.359 -2.323 18218 1683 1 4 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.043 0.117 18218 1684 1 4 . 1 1 14 14 GLU C C 14 173.633 173.633 176.289 -2.656 18218 1685 1 4 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.839 -3.723 18218 1686 1 4 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.827 -3.621 18218 1687 1 4 . 1 1 14 14 GLU H H 14 8.197 8.197 8.682 -0.485 18218 1688 1 4 . 1 1 15 15 ASP N N 15 120.130 120.130 117.929 2.201 18218 1689 1 4 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.410 0.232 18218 1690 1 4 . 1 1 15 15 ASP C C 15 173.595 173.595 176.840 -3.245 18218 1691 1 4 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.629 -3.174 18218 1692 1 4 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.113 -2.644 18218 1693 1 4 . 1 1 15 15 ASP H H 15 8.308 8.308 8.599 -0.291 18218 1694 1 4 . 1 1 16 16 CYS N N 16 118.700 118.700 118.797 -0.097 18218 1695 1 4 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.312 0.139 18218 1696 1 4 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.248 -4.512 18218 1697 1 4 . 1 1 16 16 CYS CB C 16 24.687 24.687 27.971 -3.284 18218 1698 1 4 . 1 1 16 16 CYS H H 16 7.968 7.968 8.574 -0.606 18218 1699 1 4 . 1 1 17 17 VAL N N 17 123.275 123.275 117.277 5.998 18218 1700 1 4 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.139 -0.411 18218 1701 1 4 . 1 1 17 17 VAL C C 17 174.430 174.430 174.814 -0.384 18218 1702 1 4 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.379 0.125 18218 1703 1 4 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.158 -4.928 18218 1704 1 4 . 1 1 17 17 VAL H H 17 8.550 8.550 7.531 1.019 18218 1705 1 4 . 1 1 18 18 SER N N 18 116.499 116.499 113.290 3.209 18218 1706 1 4 . 1 1 18 18 SER HA H 18 3.822 3.822 4.075 -0.253 18218 1707 1 4 . 1 1 18 18 SER CA C 18 58.484 58.484 59.198 -0.714 18218 1708 1 4 . 1 1 18 18 SER CB C 18 59.109 59.109 63.679 -4.570 18218 1709 1 4 . 1 1 18 18 SER H H 18 8.447 8.447 8.389 0.058 18218 1710 1 4 . 1 1 19 19 GLU N N 19 121.940 121.940 121.399 0.541 18218 1711 1 4 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.981 0.029 18218 1712 1 4 . 1 1 19 19 GLU C C 19 175.544 175.544 178.267 -2.723 18218 1713 1 4 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.899 -4.279 18218 1714 1 4 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.605 -4.157 18218 1715 1 4 . 1 1 19 19 GLU H H 19 7.686 7.686 8.837 -1.151 18218 1716 1 4 . 1 1 20 20 LYS N N 20 119.855 119.855 120.624 -0.769 18218 1717 1 4 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.062 -0.142 18218 1718 1 4 . 1 1 20 20 LYS C C 20 173.696 173.696 178.715 -5.019 18218 1719 1 4 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.389 -3.335 18218 1720 1 4 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.158 -3.231 18218 1721 1 4 . 1 1 20 20 LYS H H 20 7.898 7.898 7.796 0.102 18218 1722 1 4 . 1 1 21 21 LEU N N 21 119.542 119.542 120.721 -1.179 18218 1723 1 4 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.054 -0.013 18218 1724 1 4 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.847 -3.500 18218 1725 1 4 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.916 -3.498 18218 1726 1 4 . 1 1 21 21 LEU H H 21 8.056 8.056 7.996 0.060 18218 1727 1 4 . 1 1 22 22 LEU N N 22 120.384 120.384 121.137 -0.753 18218 1728 1 4 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.959 0.091 18218 1729 1 4 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.129 -3.782 18218 1730 1 4 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.250 -3.338 18218 1731 1 4 . 1 1 22 22 LEU H H 22 8.097 8.097 8.392 -0.295 18218 1732 1 4 . 1 1 23 23 ARG N N 23 119.486 119.486 116.519 2.967 18218 1733 1 4 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.991 0.004 18218 1734 1 4 . 1 1 23 23 ARG C C 23 175.443 175.443 178.746 -3.303 18218 1735 1 4 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.423 -2.601 18218 1736 1 4 . 1 1 23 23 ARG CB C 23 26.332 26.332 29.880 -3.548 18218 1737 1 4 . 1 1 23 23 ARG H H 23 8.032 8.032 7.961 0.071 18218 1738 1 4 . 1 1 24 24 LYS N N 24 119.009 119.009 119.361 -0.352 18218 1739 1 4 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.061 0.079 18218 1740 1 4 . 1 1 24 24 LYS C C 24 175.633 175.633 177.680 -2.047 18218 1741 1 4 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.712 -3.989 18218 1742 1 4 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.580 -3.970 18218 1743 1 4 . 1 1 24 24 LYS H H 24 7.860 7.860 8.047 -0.187 18218 1744 1 4 . 1 1 25 25 THR N N 25 112.776 112.776 113.144 -0.368 18218 1745 1 4 . 1 1 25 25 THR HA H 25 4.005 4.005 4.297 -0.292 18218 1746 1 4 . 1 1 25 25 THR C C 25 172.646 172.646 174.988 -2.342 18218 1747 1 4 . 1 1 25 25 THR CA C 25 61.810 61.810 62.391 -0.581 18218 1748 1 4 . 1 1 25 25 THR CB C 25 65.753 65.753 69.037 -3.284 18218 1749 1 4 . 1 1 25 25 THR H H 25 7.867 7.867 7.988 -0.121 18218 1750 1 4 . 1 1 26 26 ARG N N 26 119.996 119.996 129.049 -9.053 18218 1751 1 4 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.151 -0.004 18218 1752 1 4 . 1 1 26 26 ARG C C 26 174.278 174.278 176.645 -2.367 18218 1753 1 4 . 1 1 26 26 ARG CA C 26 54.347 54.347 58.828 -4.481 18218 1754 1 4 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.707 -3.679 18218 1755 1 4 . 1 1 26 26 ARG H H 26 7.765 7.765 8.595 -0.830 18218 1756 1 4 . 1 1 27 27 GLU N N 27 118.067 118.067 116.417 1.650 18218 1757 1 4 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.368 -0.081 18218 1758 1 4 . 1 1 27 27 GLU C C 27 173.582 173.582 174.827 -1.245 18218 1759 1 4 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.257 -2.893 18218 1760 1 4 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.568 -4.362 18218 1761 1 4 . 1 1 27 27 GLU H H 27 7.764 7.764 8.468 -0.704 18218 1762 1 4 . 1 1 28 28 SER N N 28 115.900 115.900 115.704 0.196 18218 1763 1 4 . 1 1 28 28 SER HA H 28 4.740 4.740 4.314 0.426 18218 1764 1 4 . 1 1 28 28 SER C C 28 170.481 170.481 172.029 -1.548 18218 1765 1 4 . 1 1 28 28 SER CA C 28 53.132 53.132 58.555 -5.423 18218 1766 1 4 . 1 1 28 28 SER CB C 28 60.624 60.624 63.545 -2.921 18218 1767 1 4 . 1 1 28 28 SER H H 28 7.630 7.630 8.090 -0.460 18218 1768 1 4 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.609 -0.073 18218 1769 1 4 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.590 -2.300 18218 1770 1 4 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.393 -2.946 18218 1771 1 4 . 1 1 30 30 LEU N N 30 120.365 120.365 123.262 -2.897 18218 1772 1 4 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.514 -0.305 18218 1773 1 4 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.048 -4.292 18218 1774 1 4 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.257 -2.333 18218 1775 1 4 . 1 1 30 30 LEU H H 30 8.034 8.034 8.177 -0.143 18218 1776 1 4 . 1 1 31 31 VAL N N 31 117.988 117.988 121.733 -3.745 18218 1777 1 4 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.915 0.318 18218 1778 1 4 . 1 1 31 31 VAL C C 31 171.899 171.899 176.038 -4.139 18218 1779 1 4 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.823 -10.236 18218 1780 1 4 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.071 -0.361 18218 1781 1 4 . 1 1 31 31 VAL H H 31 7.499 7.499 8.481 -0.982 18218 1782 1 4 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.351 0.186 18218 1783 1 4 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.779 -5.683 18218 1784 1 4 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.322 -3.572 18218 1785 1 4 . 1 1 33 33 ILE N N 33 121.507 121.507 118.818 2.689 18218 1786 1 4 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.626 0.293 18218 1787 1 4 . 1 1 33 33 ILE C C 33 173.025 173.025 178.289 -5.264 18218 1788 1 4 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.690 -4.818 18218 1789 1 4 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.584 -3.089 18218 1790 1 4 . 1 1 33 33 ILE H H 33 7.982 7.982 7.817 0.165 18218 1791 1 4 . 1 1 34 34 GLY N N 34 111.381 111.381 107.408 3.973 18218 1792 1 4 . 1 1 34 34 GLY C C 34 172.987 172.987 175.804 -2.817 18218 1793 1 4 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.794 -3.786 18218 1794 1 4 . 1 1 34 34 GLY H H 34 8.540 8.540 8.486 0.054 18218 1795 1 4 . 1 1 35 35 LEU N N 35 122.626 122.626 123.307 -0.681 18218 1796 1 4 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.959 0.290 18218 1797 1 4 . 1 1 35 35 LEU C C 35 175.637 175.637 178.908 -3.271 18218 1798 1 4 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.751 -3.519 18218 1799 1 4 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.851 -3.243 18218 1800 1 4 . 1 1 35 35 LEU H H 35 7.964 7.964 7.747 0.217 18218 1801 1 4 . 1 1 36 36 GLY N N 36 106.708 106.708 106.404 0.304 18218 1802 1 4 . 1 1 36 36 GLY C C 36 172.647 172.647 176.058 -3.411 18218 1803 1 4 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.233 -2.807 18218 1804 1 4 . 1 1 36 36 GLY H H 36 8.521 8.521 8.842 -0.321 18218 1805 1 4 . 1 1 37 37 GLY N N 37 108.586 108.586 108.853 -0.267 18218 1806 1 4 . 1 1 37 37 GLY C C 37 173.291 173.291 175.514 -2.223 18218 1807 1 4 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.830 -2.694 18218 1808 1 4 . 1 1 37 37 GLY H H 37 8.270 8.270 8.391 -0.121 18218 1809 1 4 . 1 1 38 38 CYS N N 38 119.678 119.678 121.164 -1.486 18218 1810 1 4 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.331 -0.087 18218 1811 1 4 . 1 1 38 38 CYS C C 38 174.215 174.215 176.308 -2.093 18218 1812 1 4 . 1 1 38 38 CYS CA C 38 59.236 59.236 61.408 -2.172 18218 1813 1 4 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.576 -4.217 18218 1814 1 4 . 1 1 38 38 CYS H H 38 7.836 7.836 7.919 -0.083 18218 1815 1 4 . 1 1 39 39 LEU N N 39 120.798 120.798 121.357 -0.559 18218 1816 1 4 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.004 0.109 18218 1817 1 4 . 1 1 39 39 LEU C C 39 175.506 175.506 178.938 -3.432 18218 1818 1 4 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.263 -3.395 18218 1819 1 4 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.048 -4.199 18218 1820 1 4 . 1 1 39 39 LEU H H 39 7.999 7.999 8.053 -0.054 18218 1821 1 4 . 1 1 40 40 VAL N N 40 118.510 118.510 119.510 -1.000 18218 1822 1 4 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.768 -0.172 18218 1823 1 4 . 1 1 40 40 VAL C C 40 174.544 174.544 178.180 -3.636 18218 1824 1 4 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.165 -2.446 18218 1825 1 4 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.701 -2.787 18218 1826 1 4 . 1 1 40 40 VAL H H 40 7.803 7.803 8.066 -0.263 18218 1827 1 4 . 1 1 41 41 VAL N N 41 119.131 119.131 120.473 -1.342 18218 1828 1 4 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.501 0.191 18218 1829 1 4 . 1 1 41 41 VAL C C 41 175.924 175.924 177.598 -1.674 18218 1830 1 4 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.505 -3.046 18218 1831 1 4 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.481 -3.440 18218 1832 1 4 . 1 1 41 41 VAL H H 41 7.624 7.624 7.959 -0.335 18218 1833 1 4 . 1 1 42 42 ALA N N 42 122.172 122.172 120.927 1.245 18218 1834 1 4 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.858 0.247 18218 1835 1 4 . 1 1 42 42 ALA C C 42 176.582 176.582 179.266 -2.684 18218 1836 1 4 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.538 -3.272 18218 1837 1 4 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.818 -2.938 18218 1838 1 4 . 1 1 42 42 ALA H H 42 8.008 8.008 8.421 -0.413 18218 1839 1 4 . 1 1 43 43 ALA N N 43 119.990 119.990 121.398 -1.408 18218 1840 1 4 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.017 -0.026 18218 1841 1 4 . 1 1 43 43 ALA C C 43 176.455 176.455 179.645 -3.190 18218 1842 1 4 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.080 -2.787 18218 1843 1 4 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.201 -3.321 18218 1844 1 4 . 1 1 43 43 ALA H H 43 8.400 8.400 7.746 0.654 18218 1845 1 4 . 1 1 44 44 TYR N N 44 118.221 118.221 119.099 -0.878 18218 1846 1 4 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.231 -0.012 18218 1847 1 4 . 1 1 44 44 TYR C C 44 175.177 175.177 178.460 -3.283 18218 1848 1 4 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.657 -4.376 18218 1849 1 4 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.201 -3.579 18218 1850 1 4 . 1 1 44 44 TYR H H 44 8.345 8.345 8.391 -0.046 18218 1851 1 4 . 1 1 45 45 ARG N N 45 119.104 119.104 119.216 -0.112 18218 1852 1 4 . 1 1 45 45 ARG HA H 45 3.833 3.833 4.002 -0.169 18218 1853 1 4 . 1 1 45 45 ARG C C 45 176.531 176.531 178.490 -1.959 18218 1854 1 4 . 1 1 45 45 ARG CA C 45 56.430 56.430 58.535 -2.105 18218 1855 1 4 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.851 -3.645 18218 1856 1 4 . 1 1 45 45 ARG H H 45 8.275 8.275 8.474 -0.199 18218 1857 1 4 . 1 1 46 46 ILE N N 46 119.719 119.719 120.346 -0.627 18218 1858 1 4 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.584 0.117 18218 1859 1 4 . 1 1 46 46 ILE C C 46 174.873 174.873 178.036 -3.163 18218 1860 1 4 . 1 1 46 46 ILE CA C 46 61.434 61.434 66.062 -4.628 18218 1861 1 4 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.637 -3.775 18218 1862 1 4 . 1 1 46 46 ILE H H 46 8.119 8.119 8.119 0.000 18218 1863 1 4 . 1 1 47 47 TYR N N 47 121.419 121.419 118.996 2.423 18218 1864 1 4 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.038 -0.056 18218 1865 1 4 . 1 1 47 47 TYR C C 47 175.544 175.544 178.071 -2.527 18218 1866 1 4 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.339 -2.740 18218 1867 1 4 . 1 1 47 47 TYR CB C 47 34.875 34.875 37.954 -3.079 18218 1868 1 4 . 1 1 47 47 TYR H H 47 8.383 8.383 8.210 0.173 18218 1869 1 4 . 1 1 48 48 ARG N N 48 118.278 118.278 116.955 1.323 18218 1870 1 4 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.949 -0.257 18218 1871 1 4 . 1 1 48 48 ARG C C 48 175.671 175.671 178.232 -2.561 18218 1872 1 4 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.707 -3.752 18218 1873 1 4 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.214 -4.261 18218 1874 1 4 . 1 1 48 48 ARG H H 48 8.074 8.074 8.097 -0.023 18218 1875 1 4 . 1 1 49 49 LEU N N 49 120.350 120.350 119.180 1.170 18218 1876 1 4 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.050 0.098 18218 1877 1 4 . 1 1 49 49 LEU C C 49 175.772 175.772 177.667 -1.895 18218 1878 1 4 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.181 -3.673 18218 1879 1 4 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.603 -3.122 18218 1880 1 4 . 1 1 49 49 LEU H H 49 7.744 7.744 8.302 -0.558 18218 1881 1 4 . 1 1 50 50 ARG N N 50 117.990 117.990 119.389 -1.399 18218 1882 1 4 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.055 0.099 18218 1883 1 4 . 1 1 50 50 ARG C C 50 174.139 174.139 175.280 -1.141 18218 1884 1 4 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.366 -3.308 18218 1885 1 4 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.343 -4.136 18218 1886 1 4 . 1 1 50 50 ARG H H 50 7.686 7.686 7.912 -0.226 18218 1887 1 4 . 1 1 51 51 SER N N 51 115.124 115.124 116.556 -1.432 18218 1888 1 4 . 1 1 51 51 SER HA H 51 4.274 4.274 4.196 0.078 18218 1889 1 4 . 1 1 51 51 SER C C 51 172.392 172.392 173.374 -0.982 18218 1890 1 4 . 1 1 51 51 SER CA C 51 56.112 56.112 58.460 -2.348 18218 1891 1 4 . 1 1 51 51 SER CB C 51 60.075 60.075 63.743 -3.668 18218 1892 1 4 . 1 1 51 51 SER H H 51 7.873 7.873 8.500 -0.627 18218 1893 1 4 . 1 1 52 52 ARG N N 52 122.132 122.132 123.197 -1.065 18218 1894 1 4 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.461 -0.185 18218 1895 1 4 . 1 1 52 52 ARG C C 52 174.316 174.316 176.462 -2.146 18218 1896 1 4 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.809 -2.387 18218 1897 1 4 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.469 -5.137 18218 1898 1 4 . 1 1 52 52 ARG H H 52 7.923 7.923 8.443 -0.520 18218 1899 1 4 . 1 1 53 53 GLY N N 53 108.907 108.907 111.033 -2.126 18218 1900 1 4 . 1 1 53 53 GLY C C 53 171.405 171.405 173.299 -1.894 18218 1901 1 4 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.408 -2.949 18218 1902 1 4 . 1 1 53 53 GLY H H 53 8.142 8.142 8.412 -0.270 18218 1903 1 4 . 1 1 54 54 SER N N 54 115.609 115.609 117.198 -1.589 18218 1904 1 4 . 1 1 54 54 SER HA H 54 4.470 4.470 4.559 -0.089 18218 1905 1 4 . 1 1 54 54 SER C C 54 172.367 172.367 175.120 -2.753 18218 1906 1 4 . 1 1 54 54 SER CA C 54 55.504 55.504 57.212 -1.708 18218 1907 1 4 . 1 1 54 54 SER CB C 54 60.537 60.537 62.759 -2.222 18218 1908 1 4 . 1 1 54 54 SER H H 54 8.042 8.042 8.481 -0.439 18218 1909 1 4 . 1 1 55 55 THR N N 55 117.148 117.148 117.541 -0.393 18218 1910 1 4 . 1 1 55 55 THR HA H 55 4.244 4.244 3.972 0.272 18218 1911 1 4 . 1 1 55 55 THR C C 55 171.785 171.785 173.164 -1.379 18218 1912 1 4 . 1 1 55 55 THR CA C 55 59.612 59.612 63.375 -3.763 18218 1913 1 4 . 1 1 55 55 THR CB C 55 66.322 66.322 68.775 -2.453 18218 1914 1 4 . 1 1 55 55 THR H H 55 8.123 8.123 8.662 -0.538 18218 1915 1 4 . 1 1 56 56 LYS N N 56 123.462 123.462 121.056 2.406 18218 1916 1 4 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.444 -0.200 18218 1917 1 4 . 1 1 56 56 LYS C C 56 173.848 173.848 174.470 -0.622 18218 1918 1 4 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.225 -2.659 18218 1919 1 4 . 1 1 56 56 LYS CB C 56 29.117 29.117 32.789 -3.672 18218 1920 1 4 . 1 1 56 56 LYS H H 56 8.184 8.184 8.088 0.096 18218 1921 1 4 . 1 1 57 57 MET N N 57 121.145 121.145 120.039 1.106 18218 1922 1 4 . 1 1 57 57 MET HA H 57 4.425 4.425 4.478 -0.053 18218 1923 1 4 . 1 1 57 57 MET C C 57 172.835 172.835 174.142 -1.307 18218 1924 1 4 . 1 1 57 57 MET CA C 57 52.930 52.930 56.326 -3.396 18218 1925 1 4 . 1 1 57 57 MET CB C 57 29.876 29.876 35.407 -5.530 18218 1926 1 4 . 1 1 57 57 MET H H 57 8.153 8.153 8.077 0.076 18218 1927 1 4 . 1 1 58 58 SER N N 58 116.811 116.811 118.378 -1.567 18218 1928 1 4 . 1 1 58 58 SER HA H 58 4.470 4.470 4.041 0.429 18218 1929 1 4 . 1 1 58 58 SER C C 58 171.620 171.620 174.462 -2.842 18218 1930 1 4 . 1 1 58 58 SER CA C 58 55.041 55.041 58.822 -3.781 18218 1931 1 4 . 1 1 58 58 SER CB C 58 60.653 60.653 62.098 -1.445 18218 1932 1 4 . 1 1 58 58 SER H H 58 7.895 7.895 8.539 -0.644 18218 1933 1 4 . 1 1 59 59 ILE N N 59 122.346 122.346 116.510 5.836 18218 1934 1 4 . 1 1 59 59 ILE HA H 59 3.990 3.990 3.464 0.526 18218 1935 1 4 . 1 1 59 59 ILE C C 59 173.127 173.127 175.709 -2.582 18218 1936 1 4 . 1 1 59 59 ILE CA C 59 58.542 58.542 64.147 -5.605 18218 1937 1 4 . 1 1 59 59 ILE CB C 59 34.938 34.938 36.835 -1.897 18218 1938 1 4 . 1 1 59 59 ILE H H 59 8.110 8.110 8.155 -0.045 18218 1939 1 4 . 1 1 60 60 HIS N N 60 121.006 121.006 117.759 3.247 18218 1940 1 4 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.661 -0.647 18218 1941 1 4 . 1 1 60 60 HIS C C 60 172.443 172.443 175.998 -3.555 18218 1942 1 4 . 1 1 60 60 HIS CA C 60 53.364 53.364 57.355 -3.991 18218 1943 1 4 . 1 1 60 60 HIS CB C 60 25.510 25.510 32.985 -7.475 18218 1944 1 4 . 1 1 60 60 HIS H H 60 8.235 8.235 8.207 0.028 18218 1945 1 4 . 1 1 61 61 LEU N N 61 120.472 120.472 115.122 5.350 18218 1946 1 4 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.840 -0.651 18218 1947 1 4 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.358 -2.168 18218 1948 1 4 . 1 1 61 61 LEU CB C 61 38.864 38.864 43.052 -4.188 18218 1949 1 4 . 1 1 61 61 LEU H H 61 8.045 8.045 7.583 0.462 18218 1950 1 4 . 1 1 62 62 ILE N N 62 117.281 117.281 115.501 1.780 18218 1951 1 4 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.411 -0.514 18218 1952 1 4 . 1 1 62 62 ILE CA C 62 59.149 59.149 60.114 -0.965 18218 1953 1 4 . 1 1 62 62 ILE CB C 62 34.432 34.432 39.718 -5.286 18218 1954 1 4 . 1 1 62 62 ILE H H 62 7.555 7.555 7.628 -0.073 18218 1955 1 4 . 1 1 63 63 HIS N N 63 119.488 119.488 120.865 -1.377 18218 1956 1 4 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.419 0.218 18218 1957 1 4 . 1 1 63 63 HIS CA C 63 52.438 52.438 59.374 -6.936 18218 1958 1 4 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.155 -5.026 18218 1959 1 4 . 1 1 63 63 HIS H H 63 8.179 8.179 8.596 -0.417 18218 1960 1 4 . 1 1 64 64 THR N N 64 112.132 112.132 112.431 -0.299 18218 1961 1 4 . 1 1 64 64 THR HA H 64 4.296 4.296 4.563 -0.267 18218 1962 1 4 . 1 1 64 64 THR C C 64 175.063 175.063 173.147 1.916 18218 1963 1 4 . 1 1 64 64 THR CA C 64 58.802 58.802 61.950 -3.148 18218 1964 1 4 . 1 1 64 64 THR CB C 64 67.588 67.588 68.519 -0.931 18218 1965 1 4 . 1 1 64 64 THR H H 64 7.576 7.576 7.963 -0.387 18218 1966 1 4 . 1 1 65 65 ARG N N 65 123.493 123.493 120.341 3.152 18218 1967 1 4 . 1 1 65 65 ARG HA H 65 4.296 4.296 3.806 0.490 18218 1968 1 4 . 1 1 65 65 ARG C C 65 175.633 175.633 176.527 -0.894 18218 1969 1 4 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.651 -2.320 18218 1970 1 4 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.312 -3.169 18218 1971 1 4 . 1 1 65 65 ARG H H 65 8.713 8.713 8.031 0.682 18218 1972 1 4 . 1 1 66 66 VAL N N 66 117.974 117.974 118.807 -0.833 18218 1973 1 4 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.667 0.330 18218 1974 1 4 . 1 1 66 66 VAL C C 66 174.215 174.215 177.726 -3.511 18218 1975 1 4 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.606 -4.912 18218 1976 1 4 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.765 -3.724 18218 1977 1 4 . 1 1 66 66 VAL H H 66 7.987 7.987 8.261 -0.274 18218 1978 1 4 . 1 1 67 67 ALA N N 67 123.016 123.016 122.363 0.653 18218 1979 1 4 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.182 -0.182 18218 1980 1 4 . 1 1 67 67 ALA C C 67 175.367 175.367 179.371 -4.004 18218 1981 1 4 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.360 -3.240 18218 1982 1 4 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.743 -2.990 18218 1983 1 4 . 1 1 67 67 ALA H H 67 7.645 7.645 8.282 -0.637 18218 1984 1 4 . 1 1 68 68 ALA N N 68 120.682 120.682 121.176 -0.494 18218 1985 1 4 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.008 0.171 18218 1986 1 4 . 1 1 68 68 ALA C C 68 178.354 178.354 179.932 -1.578 18218 1987 1 4 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.956 -2.807 18218 1988 1 4 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.063 -3.310 18218 1989 1 4 . 1 1 68 68 ALA H H 68 7.931 7.931 8.030 -0.099 18218 1990 1 4 . 1 1 69 69 GLN N N 69 119.129 119.129 119.349 -0.220 18218 1991 1 4 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.855 0.421 18218 1992 1 4 . 1 1 69 69 GLN C C 69 175.430 175.430 178.327 -2.897 18218 1993 1 4 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.882 -3.609 18218 1994 1 4 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.642 -3.512 18218 1995 1 4 . 1 1 69 69 GLN H H 69 8.213 8.213 8.418 -0.205 18218 1996 1 4 . 1 1 70 70 ALA N N 70 122.065 122.065 121.351 0.714 18218 1997 1 4 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.863 0.137 18218 1998 1 4 . 1 1 70 70 ALA C C 70 176.734 176.734 179.302 -2.568 18218 1999 1 4 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.891 -2.741 18218 2000 1 4 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.901 -3.148 18218 2001 1 4 . 1 1 70 70 ALA H H 70 8.397 8.397 8.569 -0.172 18218 2002 1 4 . 1 1 71 71 CYS N N 71 115.893 115.893 116.655 -0.762 18218 2003 1 4 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.019 0.034 18218 2004 1 4 . 1 1 71 71 CYS C C 71 173.696 173.696 176.659 -2.963 18218 2005 1 4 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.483 -3.032 18218 2006 1 4 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.532 -4.047 18218 2007 1 4 . 1 1 71 71 CYS H H 71 8.169 8.169 7.949 0.220 18218 2008 1 4 . 1 1 72 72 ALA N N 72 122.868 122.868 123.214 -0.346 18218 2009 1 4 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.025 0.235 18218 2010 1 4 . 1 1 72 72 ALA C C 72 177.886 177.886 178.917 -1.031 18218 2011 1 4 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.553 -3.520 18218 2012 1 4 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.071 -3.318 18218 2013 1 4 . 1 1 72 72 ALA H H 72 7.742 7.742 8.105 -0.363 18218 2014 1 4 . 1 1 73 73 VAL N N 73 118.066 118.066 116.492 1.574 18218 2015 1 4 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.585 0.191 18218 2016 1 4 . 1 1 73 73 VAL C C 73 175.696 175.696 177.791 -2.095 18218 2017 1 4 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.062 -3.413 18218 2018 1 4 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.855 -2.751 18218 2019 1 4 . 1 1 73 73 VAL H H 73 8.050 8.050 8.178 -0.128 18218 2020 1 4 . 1 1 74 74 GLY N N 74 109.146 109.146 108.219 0.927 18218 2021 1 4 . 1 1 74 74 GLY C C 74 171.962 171.962 175.270 -3.308 18218 2022 1 4 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.712 -2.142 18218 2023 1 4 . 1 1 74 74 GLY H H 74 8.648 8.648 7.812 0.836 18218 2024 1 4 . 1 1 75 75 ALA N N 75 123.035 123.035 125.037 -2.002 18218 2025 1 4 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.858 0.231 18218 2026 1 4 . 1 1 75 75 ALA C C 75 178.253 178.253 179.867 -1.614 18218 2027 1 4 . 1 1 75 75 ALA CA C 75 52.438 52.438 55.039 -2.601 18218 2028 1 4 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.238 -3.548 18218 2029 1 4 . 1 1 75 75 ALA H H 75 8.213 8.213 8.215 -0.002 18218 2030 1 4 . 1 1 76 76 ILE N N 76 120.121 120.121 118.993 1.128 18218 2031 1 4 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.632 0.197 18218 2032 1 4 . 1 1 76 76 ILE C C 76 176.506 176.506 178.236 -1.730 18218 2033 1 4 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.155 -2.837 18218 2034 1 4 . 1 1 76 76 ILE CB C 76 34.368 34.368 36.705 -2.337 18218 2035 1 4 . 1 1 76 76 ILE H H 76 7.523 7.523 8.166 -0.643 18218 2036 1 4 . 1 1 77 77 MET N N 77 120.468 120.468 118.719 1.749 18218 2037 1 4 . 1 1 77 77 MET HA H 77 4.116 4.116 3.992 0.124 18218 2038 1 4 . 1 1 77 77 MET C C 77 175.038 175.038 178.952 -3.914 18218 2039 1 4 . 1 1 77 77 MET CA C 77 56.314 56.314 58.662 -2.348 18218 2040 1 4 . 1 1 77 77 MET CB C 77 34.242 34.242 31.744 2.498 18218 2041 1 4 . 1 1 77 77 MET H H 77 8.239 8.239 8.087 0.152 18218 2042 1 4 . 1 1 78 78 LEU N N 78 119.389 119.389 119.178 0.211 18218 2043 1 4 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.861 0.103 18218 2044 1 4 . 1 1 78 78 LEU C C 78 176.202 176.202 178.924 -2.722 18218 2045 1 4 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.836 -3.967 18218 2046 1 4 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.456 -3.671 18218 2047 1 4 . 1 1 78 78 LEU H H 78 8.571 8.571 8.641 -0.070 18218 2048 1 4 . 1 1 79 79 GLY N N 79 105.857 105.857 105.442 0.415 18218 2049 1 4 . 1 1 79 79 GLY C C 79 173.861 173.861 175.490 -1.629 18218 2050 1 4 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.097 -2.845 18218 2051 1 4 . 1 1 79 79 GLY H H 79 8.006 8.006 8.058 -0.052 18218 2052 1 4 . 1 1 80 80 ALA N N 80 125.631 125.631 125.178 0.453 18218 2053 1 4 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.150 0.145 18218 2054 1 4 . 1 1 80 80 ALA C C 80 177.544 177.544 179.417 -1.873 18218 2055 1 4 . 1 1 80 80 ALA CA C 80 52.004 52.004 54.911 -2.907 18218 2056 1 4 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.173 -3.483 18218 2057 1 4 . 1 1 80 80 ALA H H 80 7.971 7.971 7.930 0.041 18218 2058 1 4 . 1 1 81 81 VAL N N 81 118.858 118.858 119.495 -0.637 18218 2059 1 4 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.671 0.069 18218 2060 1 4 . 1 1 81 81 VAL C C 81 174.974 174.974 177.706 -2.732 18218 2061 1 4 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.996 -2.683 18218 2062 1 4 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.711 -3.923 18218 2063 1 4 . 1 1 81 81 VAL H H 81 8.206 8.206 8.254 -0.048 18218 2064 1 4 . 1 1 82 82 TYR N N 82 121.151 121.151 118.570 2.581 18218 2065 1 4 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.175 0.102 18218 2066 1 4 . 1 1 82 82 TYR C C 82 176.038 176.038 178.445 -2.407 18218 2067 1 4 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.092 -3.290 18218 2068 1 4 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.739 -3.307 18218 2069 1 4 . 1 1 82 82 TYR H H 82 8.614 8.614 8.810 -0.196 18218 2070 1 4 . 1 1 83 83 THR N N 83 118.253 118.253 116.516 1.737 18218 2071 1 4 . 1 1 83 83 THR HA H 83 4.340 4.340 4.021 0.319 18218 2072 1 4 . 1 1 83 83 THR CA C 83 63.980 63.980 66.488 -2.508 18218 2073 1 4 . 1 1 83 83 THR CB C 83 65.437 65.437 68.553 -3.116 18218 2074 1 4 . 1 1 83 83 THR H H 83 8.361 8.361 8.253 0.108 18218 2075 1 4 . 1 1 84 84 MET N N 84 121.616 121.616 122.019 -0.403 18218 2076 1 4 . 1 1 84 84 MET C C 84 175.949 175.949 178.030 -2.081 18218 2077 1 4 . 1 1 84 84 MET CA C 84 56.603 56.603 59.992 -3.389 18218 2078 1 4 . 1 1 84 84 MET CB C 84 29.180 29.180 32.722 -3.542 18218 2079 1 4 . 1 1 84 84 MET H H 84 8.053 8.053 8.317 -0.264 18218 2080 1 4 . 1 1 85 85 TYR N N 85 120.690 120.690 118.795 1.895 18218 2081 1 4 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.049 0.121 18218 2082 1 4 . 1 1 85 85 TYR C C 85 173.709 173.709 178.059 -4.350 18218 2083 1 4 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.499 -3.015 18218 2084 1 4 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.303 -3.365 18218 2085 1 4 . 1 1 85 85 TYR H H 85 8.543 8.543 8.470 0.073 18218 2086 1 4 . 1 1 86 86 SER N N 86 115.536 115.536 113.698 1.838 18218 2087 1 4 . 1 1 86 86 SER HA H 86 3.802 3.802 4.238 -0.436 18218 2088 1 4 . 1 1 86 86 SER C C 86 174.709 174.709 176.756 -2.047 18218 2089 1 4 . 1 1 86 86 SER CA C 86 58.542 58.542 61.389 -2.847 18218 2090 1 4 . 1 1 86 86 SER CB C 86 59.243 59.243 63.295 -4.052 18218 2091 1 4 . 1 1 86 86 SER H H 86 8.422 8.422 8.012 0.410 18218 2092 1 4 . 1 1 87 87 ASP N N 87 121.132 121.132 123.349 -2.217 18218 2093 1 4 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.363 -0.014 18218 2094 1 4 . 1 1 87 87 ASP C C 87 175.177 175.177 177.708 -2.531 18218 2095 1 4 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.364 -2.595 18218 2096 1 4 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.268 -3.938 18218 2097 1 4 . 1 1 87 87 ASP H H 87 8.295 8.295 8.341 -0.046 18218 2098 1 4 . 1 1 88 88 TYR N N 88 122.430 122.430 119.311 3.119 18218 2099 1 4 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.046 0.070 18218 2100 1 4 . 1 1 88 88 TYR C C 88 174.772 174.772 176.427 -1.655 18218 2101 1 4 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.064 -1.522 18218 2102 1 4 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.251 -3.123 18218 2103 1 4 . 1 1 88 88 TYR H H 88 7.919 7.919 7.713 0.206 18218 2104 1 4 . 1 1 89 89 VAL N N 89 118.321 118.321 117.871 0.450 18218 2105 1 4 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.726 -0.300 18218 2106 1 4 . 1 1 89 89 VAL C C 89 176.101 176.101 177.024 -0.923 18218 2107 1 4 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.893 -1.099 18218 2108 1 4 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.885 -5.034 18218 2109 1 4 . 1 1 89 89 VAL H H 89 8.121 8.121 7.526 0.595 18218 2110 1 4 . 1 1 90 90 LYS N N 90 120.272 120.272 122.309 -2.037 18218 2111 1 4 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.948 0.061 18218 2112 1 4 . 1 1 90 90 LYS C C 90 176.126 176.126 176.783 -0.657 18218 2113 1 4 . 1 1 90 90 LYS CA C 90 55.851 55.851 59.028 -3.177 18218 2114 1 4 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.682 -4.072 18218 2115 1 4 . 1 1 90 90 LYS H H 90 7.708 7.708 8.481 -0.773 18218 2116 1 4 . 1 1 91 91 ARG N N 91 119.904 119.904 115.515 4.389 18218 2117 1 4 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.250 -0.222 18218 2118 1 4 . 1 1 91 91 ARG C C 91 175.544 175.544 175.572 -0.028 18218 2119 1 4 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.133 -0.947 18218 2120 1 4 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.752 -4.483 18218 2121 1 4 . 1 1 91 91 ARG H H 91 7.685 7.685 7.880 -0.195 18218 2122 1 4 . 1 1 92 92 MET N N 92 118.654 118.654 120.148 -1.494 18218 2123 1 4 . 1 1 92 92 MET HA H 92 4.248 4.248 4.397 -0.149 18218 2124 1 4 . 1 1 92 92 MET C C 92 174.810 174.810 176.374 -1.564 18218 2125 1 4 . 1 1 92 92 MET CA C 92 53.508 53.508 56.105 -2.597 18218 2126 1 4 . 1 1 92 92 MET CB C 92 26.016 26.016 32.723 -6.707 18218 2127 1 4 . 1 1 92 92 MET H H 92 7.790 7.790 8.110 -0.320 18218 2128 1 4 . 1 1 93 93 ALA N N 93 122.890 122.890 123.665 -0.775 18218 2129 1 4 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.656 -0.445 18218 2130 1 4 . 1 1 93 93 ALA C C 93 175.633 175.633 177.888 -2.255 18218 2131 1 4 . 1 1 93 93 ALA CA C 93 49.922 49.922 51.535 -1.613 18218 2132 1 4 . 1 1 93 93 ALA CB C 93 15.259 15.259 18.856 -3.597 18218 2133 1 4 . 1 1 93 93 ALA H H 93 7.648 7.648 8.271 -0.623 18218 2134 1 4 . 1 1 94 94 GLN N N 94 119.315 119.315 121.289 -1.974 18218 2135 1 4 . 1 1 94 94 GLN HA H 94 4.199 4.199 3.936 0.263 18218 2136 1 4 . 1 1 94 94 GLN C C 94 173.676 173.676 177.257 -3.581 18218 2137 1 4 . 1 1 94 94 GLN CA C 94 53.364 53.364 58.370 -5.006 18218 2138 1 4 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.849 -2.959 18218 2139 1 4 . 1 1 94 94 GLN H H 94 7.887 7.887 8.550 -0.663 18218 2140 1 4 . 1 1 95 95 ASP N N 95 121.546 121.546 117.808 3.738 18218 2141 1 4 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.314 0.246 18218 2142 1 4 . 1 1 95 95 ASP CA C 95 51.484 51.484 55.672 -4.188 18218 2143 1 4 . 1 1 95 95 ASP CB C 95 37.722 37.722 39.923 -2.201 18218 2144 1 4 . 1 1 95 95 ASP H H 95 8.199 8.199 8.581 -0.382 18218 2145 1 4 . 1 1 96 96 ALA N N 96 125.033 125.033 124.711 0.322 18218 2146 1 4 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.230 0.025 18218 2147 1 4 . 1 1 96 96 ALA C C 96 175.645 175.645 178.499 -2.854 18218 2148 1 4 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.286 -2.509 18218 2149 1 4 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.497 -2.921 18218 2150 1 4 . 1 1 96 96 ALA H H 96 8.062 8.062 8.113 -0.051 18218 2151 1 4 . 1 1 97 97 GLY N N 97 108.048 108.048 111.300 -3.252 18218 2152 1 4 . 1 1 97 97 GLY C C 97 171.418 171.418 174.388 -2.970 18218 2153 1 4 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.748 -3.608 18218 2154 1 4 . 1 1 97 97 GLY H H 97 8.196 8.196 8.284 -0.088 18218 2155 1 4 . 1 1 98 98 GLU N N 98 121.445 121.445 119.137 2.308 18218 2156 1 4 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.011 0.254 18218 2157 1 4 . 1 1 98 98 GLU C C 98 172.987 172.987 175.798 -2.811 18218 2158 1 4 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.248 -2.971 18218 2159 1 4 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.625 -3.229 18218 2160 1 4 . 1 1 98 98 GLU H H 98 8.086 8.086 8.047 0.039 18218 2161 1 5 . 1 1 2 2 SER N N 2 116.234 116.234 118.243 -2.009 18218 2162 1 5 . 1 1 2 2 SER HA H 2 4.828 4.828 4.774 0.054 18218 2163 1 5 . 1 1 2 2 SER C C 2 171.696 171.696 173.910 -2.214 18218 2164 1 5 . 1 1 2 2 SER CA C 2 55.273 55.273 58.178 -2.905 18218 2165 1 5 . 1 1 2 2 SER CB C 2 60.624 60.624 64.100 -3.476 18218 2166 1 5 . 1 1 2 2 SER H H 2 7.958 7.958 8.385 -0.427 18218 2167 1 5 . 1 1 3 3 ALA N N 3 125.895 125.895 127.280 -1.385 18218 2168 1 5 . 1 1 3 3 ALA C C 3 174.633 174.633 177.135 -2.502 18218 2169 1 5 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.504 -2.785 18218 2170 1 5 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.166 -3.654 18218 2171 1 5 . 1 1 3 3 ALA H H 3 8.273 8.273 8.588 -0.315 18218 2172 1 5 . 1 1 4 4 ASN N N 4 118.166 118.166 120.031 -1.865 18218 2173 1 5 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.750 -0.150 18218 2174 1 5 . 1 1 4 4 ASN C C 4 172.089 172.089 174.783 -2.694 18218 2175 1 5 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.268 -2.999 18218 2176 1 5 . 1 1 4 4 ASN CB C 4 35.571 35.571 36.871 -1.300 18218 2177 1 5 . 1 1 4 4 ASN H H 4 8.307 8.307 8.495 -0.188 18218 2178 1 5 . 1 1 5 5 ARG N N 5 121.553 121.553 122.524 -0.971 18218 2179 1 5 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.379 -0.210 18218 2180 1 5 . 1 1 5 5 ARG C C 5 173.013 173.013 174.209 -1.196 18218 2181 1 5 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.358 -3.544 18218 2182 1 5 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.766 -3.548 18218 2183 1 5 . 1 1 5 5 ARG H H 5 8.058 8.058 8.220 -0.162 18218 2184 1 5 . 1 1 6 6 ARG N N 6 122.689 122.689 122.716 -0.027 18218 2185 1 5 . 1 1 6 6 ARG HA H 6 3.941 3.941 3.970 -0.029 18218 2186 1 5 . 1 1 6 6 ARG C C 6 173.392 173.392 174.121 -0.729 18218 2187 1 5 . 1 1 6 6 ARG CA C 6 52.265 52.265 55.346 -3.081 18218 2188 1 5 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.562 -5.356 18218 2189 1 5 . 1 1 6 6 ARG H H 6 8.122 8.122 8.085 0.037 18218 2190 1 5 . 1 1 7 7 TRP N N 7 120.901 120.901 121.691 -0.790 18218 2191 1 5 . 1 1 7 7 TRP HA H 7 4.418 4.418 3.983 0.435 18218 2192 1 5 . 1 1 7 7 TRP C C 7 172.557 172.557 174.150 -1.593 18218 2193 1 5 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.224 -2.703 18218 2194 1 5 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.412 -3.333 18218 2195 1 5 . 1 1 7 7 TRP H H 7 7.585 7.585 7.782 -0.197 18218 2196 1 5 . 1 1 8 8 TRP N N 8 118.192 118.192 123.407 -5.215 18218 2197 1 5 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.771 -0.320 18218 2198 1 5 . 1 1 8 8 TRP C C 8 171.456 171.456 173.759 -2.303 18218 2199 1 5 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.075 -2.133 18218 2200 1 5 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.061 -3.551 18218 2201 1 5 . 1 1 8 8 TRP H H 8 6.811 6.811 7.607 -0.796 18218 2202 1 5 . 1 1 9 9 VAL N N 9 122.005 122.005 124.157 -2.152 18218 2203 1 5 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.413 -0.261 18218 2204 1 5 . 1 1 9 9 VAL C C 9 170.671 170.671 173.887 -3.216 18218 2205 1 5 . 1 1 9 9 VAL CA C 9 56.083 56.083 59.949 -3.866 18218 2206 1 5 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.698 -3.518 18218 2207 1 5 . 1 1 9 9 VAL H H 9 6.949 6.949 8.018 -1.069 18218 2208 1 5 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.613 -2.281 18218 2209 1 5 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.422 -3.039 18218 2210 1 5 . 1 1 12 12 ASP N N 12 119.443 119.443 119.135 0.308 18218 2211 1 5 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.654 -0.130 18218 2212 1 5 . 1 1 12 12 ASP C C 12 174.215 174.215 175.010 -0.795 18218 2213 1 5 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.633 -3.207 18218 2214 1 5 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.802 -4.523 18218 2215 1 5 . 1 1 12 12 ASP H H 12 8.241 8.241 8.761 -0.520 18218 2216 1 5 . 1 1 13 13 ASP N N 13 119.369 119.369 117.944 1.425 18218 2217 1 5 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.682 -0.102 18218 2218 1 5 . 1 1 13 13 ASP C C 13 175.379 175.379 174.188 1.191 18218 2219 1 5 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.126 -3.019 18218 2220 1 5 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.529 -5.187 18218 2221 1 5 . 1 1 13 13 ASP H H 13 7.980 7.980 8.177 -0.197 18218 2222 1 5 . 1 1 14 14 GLU N N 14 121.036 121.036 118.614 2.422 18218 2223 1 5 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.584 -0.424 18218 2224 1 5 . 1 1 14 14 GLU C C 14 173.633 173.633 174.520 -0.887 18218 2225 1 5 . 1 1 14 14 GLU CA C 14 54.116 54.116 55.639 -1.523 18218 2226 1 5 . 1 1 14 14 GLU CB C 14 26.206 26.206 31.576 -5.370 18218 2227 1 5 . 1 1 14 14 GLU H H 14 8.197 8.197 8.381 -0.184 18218 2228 1 5 . 1 1 15 15 ASP N N 15 120.130 120.130 121.020 -0.890 18218 2229 1 5 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.897 -0.255 18218 2230 1 5 . 1 1 15 15 ASP C C 15 173.595 173.595 175.730 -2.135 18218 2231 1 5 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.475 -2.020 18218 2232 1 5 . 1 1 15 15 ASP CB C 15 37.469 37.469 39.948 -2.479 18218 2233 1 5 . 1 1 15 15 ASP H H 15 8.308 8.308 8.700 -0.392 18218 2234 1 5 . 1 1 16 16 CYS N N 16 118.700 118.700 119.053 -0.353 18218 2235 1 5 . 1 1 16 16 CYS HA H 16 4.451 4.451 3.989 0.462 18218 2236 1 5 . 1 1 16 16 CYS CA C 16 55.736 55.736 61.759 -6.023 18218 2237 1 5 . 1 1 16 16 CYS CB C 16 24.687 24.687 27.067 -2.380 18218 2238 1 5 . 1 1 16 16 CYS H H 16 7.968 7.968 8.971 -1.003 18218 2239 1 5 . 1 1 17 17 VAL N N 17 123.275 123.275 120.769 2.506 18218 2240 1 5 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.152 -0.424 18218 2241 1 5 . 1 1 17 17 VAL C C 17 174.430 174.430 175.916 -1.486 18218 2242 1 5 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.674 -0.170 18218 2243 1 5 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.097 -4.866 18218 2244 1 5 . 1 1 17 17 VAL H H 17 8.550 8.550 8.358 0.192 18218 2245 1 5 . 1 1 18 18 SER N N 18 116.499 116.499 113.640 2.859 18218 2246 1 5 . 1 1 18 18 SER HA H 18 3.822 3.822 4.027 -0.205 18218 2247 1 5 . 1 1 18 18 SER CA C 18 58.484 58.484 59.356 -0.872 18218 2248 1 5 . 1 1 18 18 SER CB C 18 59.109 59.109 63.322 -4.213 18218 2249 1 5 . 1 1 18 18 SER H H 18 8.447 8.447 8.073 0.374 18218 2250 1 5 . 1 1 19 19 GLU N N 19 121.940 121.940 122.056 -0.116 18218 2251 1 5 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.068 -0.058 18218 2252 1 5 . 1 1 19 19 GLU C C 19 175.544 175.544 178.101 -2.557 18218 2253 1 5 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.043 -3.423 18218 2254 1 5 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.333 -3.886 18218 2255 1 5 . 1 1 19 19 GLU H H 19 7.686 7.686 8.957 -1.271 18218 2256 1 5 . 1 1 20 20 LYS N N 20 119.855 119.855 121.512 -1.657 18218 2257 1 5 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.087 -0.167 18218 2258 1 5 . 1 1 20 20 LYS C C 20 173.696 173.696 178.908 -5.212 18218 2259 1 5 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.138 -3.084 18218 2260 1 5 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.333 -3.406 18218 2261 1 5 . 1 1 20 20 LYS H H 20 7.898 7.898 7.322 0.576 18218 2262 1 5 . 1 1 21 21 LEU N N 21 119.542 119.542 121.148 -1.606 18218 2263 1 5 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.086 -0.045 18218 2264 1 5 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.546 -3.199 18218 2265 1 5 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.231 -2.813 18218 2266 1 5 . 1 1 21 21 LEU H H 21 8.056 8.056 8.099 -0.043 18218 2267 1 5 . 1 1 22 22 LEU N N 22 120.384 120.384 120.396 -0.012 18218 2268 1 5 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.891 0.159 18218 2269 1 5 . 1 1 22 22 LEU CA C 22 54.347 54.347 57.915 -3.568 18218 2270 1 5 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.881 -3.969 18218 2271 1 5 . 1 1 22 22 LEU H H 22 8.097 8.097 8.440 -0.343 18218 2272 1 5 . 1 1 23 23 ARG N N 23 119.486 119.486 116.884 2.602 18218 2273 1 5 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.975 0.020 18218 2274 1 5 . 1 1 23 23 ARG C C 23 175.443 175.443 178.702 -3.259 18218 2275 1 5 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.187 -2.365 18218 2276 1 5 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.203 -3.872 18218 2277 1 5 . 1 1 23 23 ARG H H 23 8.032 8.032 7.926 0.106 18218 2278 1 5 . 1 1 24 24 LYS N N 24 119.009 119.009 118.704 0.305 18218 2279 1 5 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.104 0.036 18218 2280 1 5 . 1 1 24 24 LYS C C 24 175.633 175.633 176.986 -1.353 18218 2281 1 5 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.757 -4.034 18218 2282 1 5 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.911 -4.301 18218 2283 1 5 . 1 1 24 24 LYS H H 24 7.860 7.860 8.012 -0.152 18218 2284 1 5 . 1 1 25 25 THR N N 25 112.776 112.776 112.787 -0.011 18218 2285 1 5 . 1 1 25 25 THR HA H 25 4.005 4.005 4.467 -0.462 18218 2286 1 5 . 1 1 25 25 THR C C 25 172.646 172.646 172.363 0.283 18218 2287 1 5 . 1 1 25 25 THR CA C 25 61.810 61.810 62.472 -0.662 18218 2288 1 5 . 1 1 25 25 THR CB C 25 65.753 65.753 70.613 -4.860 18218 2289 1 5 . 1 1 25 25 THR H H 25 7.867 7.867 8.106 -0.239 18218 2290 1 5 . 1 1 26 26 ARG N N 26 119.996 119.996 124.773 -4.777 18218 2291 1 5 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.486 -0.339 18218 2292 1 5 . 1 1 26 26 ARG C C 26 174.278 174.278 174.026 0.252 18218 2293 1 5 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.530 -2.183 18218 2294 1 5 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.706 -3.678 18218 2295 1 5 . 1 1 26 26 ARG H H 26 7.765 7.765 8.510 -0.745 18218 2296 1 5 . 1 1 27 27 GLU N N 27 118.067 118.067 122.529 -4.462 18218 2297 1 5 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.514 -0.227 18218 2298 1 5 . 1 1 27 27 GLU C C 27 173.582 173.582 174.934 -1.352 18218 2299 1 5 . 1 1 27 27 GLU CA C 27 53.364 53.364 55.841 -2.477 18218 2300 1 5 . 1 1 27 27 GLU CB C 27 26.206 26.206 31.394 -5.188 18218 2301 1 5 . 1 1 27 27 GLU H H 27 7.764 7.764 8.423 -0.659 18218 2302 1 5 . 1 1 28 28 SER N N 28 115.900 115.900 116.251 -0.351 18218 2303 1 5 . 1 1 28 28 SER HA H 28 4.740 4.740 4.371 0.369 18218 2304 1 5 . 1 1 28 28 SER C C 28 170.481 170.481 172.396 -1.915 18218 2305 1 5 . 1 1 28 28 SER CA C 28 53.132 53.132 58.017 -4.886 18218 2306 1 5 . 1 1 28 28 SER CB C 28 60.624 60.624 63.165 -2.541 18218 2307 1 5 . 1 1 28 28 SER H H 28 7.630 7.630 8.590 -0.960 18218 2308 1 5 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.654 -0.118 18218 2309 1 5 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.448 -2.157 18218 2310 1 5 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.462 -3.015 18218 2311 1 5 . 1 1 30 30 LEU N N 30 120.365 120.365 120.193 0.172 18218 2312 1 5 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.403 -0.194 18218 2313 1 5 . 1 1 30 30 LEU CA C 30 52.756 52.756 55.793 -3.037 18218 2314 1 5 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.308 -3.384 18218 2315 1 5 . 1 1 30 30 LEU H H 30 8.034 8.034 8.279 -0.245 18218 2316 1 5 . 1 1 31 31 VAL N N 31 117.988 117.988 120.652 -2.664 18218 2317 1 5 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.756 0.477 18218 2318 1 5 . 1 1 31 31 VAL C C 31 171.899 171.899 175.502 -3.603 18218 2319 1 5 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.271 -10.684 18218 2320 1 5 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.659 -0.949 18218 2321 1 5 . 1 1 31 31 VAL H H 31 7.499 7.499 8.284 -0.785 18218 2322 1 5 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.329 0.208 18218 2323 1 5 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.706 -5.610 18218 2324 1 5 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.086 -3.336 18218 2325 1 5 . 1 1 33 33 ILE N N 33 121.507 121.507 118.761 2.746 18218 2326 1 5 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.672 0.247 18218 2327 1 5 . 1 1 33 33 ILE C C 33 173.025 173.025 178.457 -5.432 18218 2328 1 5 . 1 1 33 33 ILE CA C 33 59.872 59.872 63.792 -3.920 18218 2329 1 5 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.772 -2.277 18218 2330 1 5 . 1 1 33 33 ILE H H 33 7.982 7.982 8.047 -0.065 18218 2331 1 5 . 1 1 34 34 GLY N N 34 111.381 111.381 107.779 3.602 18218 2332 1 5 . 1 1 34 34 GLY C C 34 172.987 172.987 176.313 -3.326 18218 2333 1 5 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.935 -3.927 18218 2334 1 5 . 1 1 34 34 GLY H H 34 8.540 8.540 8.630 -0.090 18218 2335 1 5 . 1 1 35 35 LEU N N 35 122.626 122.626 123.963 -1.337 18218 2336 1 5 . 1 1 35 35 LEU HA H 35 4.249 4.249 4.002 0.247 18218 2337 1 5 . 1 1 35 35 LEU C C 35 175.637 175.637 178.889 -3.252 18218 2338 1 5 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.373 -3.141 18218 2339 1 5 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.174 -2.566 18218 2340 1 5 . 1 1 35 35 LEU H H 35 7.964 7.964 7.834 0.130 18218 2341 1 5 . 1 1 36 36 GLY N N 36 106.708 106.708 106.153 0.555 18218 2342 1 5 . 1 1 36 36 GLY C C 36 172.647 172.647 176.012 -3.365 18218 2343 1 5 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.229 -2.803 18218 2344 1 5 . 1 1 36 36 GLY H H 36 8.521 8.521 8.630 -0.109 18218 2345 1 5 . 1 1 37 37 GLY N N 37 108.586 108.586 108.887 -0.301 18218 2346 1 5 . 1 1 37 37 GLY C C 37 173.291 173.291 175.957 -2.666 18218 2347 1 5 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.805 -2.669 18218 2348 1 5 . 1 1 37 37 GLY H H 37 8.270 8.270 8.349 -0.079 18218 2349 1 5 . 1 1 38 38 CYS N N 38 119.678 119.678 122.029 -2.351 18218 2350 1 5 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.353 -0.109 18218 2351 1 5 . 1 1 38 38 CYS C C 38 174.215 174.215 176.273 -2.058 18218 2352 1 5 . 1 1 38 38 CYS CA C 38 59.236 59.236 61.635 -2.399 18218 2353 1 5 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.620 -4.261 18218 2354 1 5 . 1 1 38 38 CYS H H 38 7.836 7.836 8.205 -0.369 18218 2355 1 5 . 1 1 39 39 LEU N N 39 120.798 120.798 121.509 -0.711 18218 2356 1 5 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.878 0.235 18218 2357 1 5 . 1 1 39 39 LEU C C 39 175.506 175.506 179.101 -3.595 18218 2358 1 5 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.378 -3.510 18218 2359 1 5 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.016 -4.167 18218 2360 1 5 . 1 1 39 39 LEU H H 39 7.999 7.999 8.170 -0.171 18218 2361 1 5 . 1 1 40 40 VAL N N 40 118.510 118.510 117.951 0.559 18218 2362 1 5 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.630 -0.034 18218 2363 1 5 . 1 1 40 40 VAL C C 40 174.544 174.544 178.181 -3.637 18218 2364 1 5 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.668 -2.949 18218 2365 1 5 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.873 -2.959 18218 2366 1 5 . 1 1 40 40 VAL H H 40 7.803 7.803 8.141 -0.338 18218 2367 1 5 . 1 1 41 41 VAL N N 41 119.131 119.131 120.496 -1.365 18218 2368 1 5 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.682 0.010 18218 2369 1 5 . 1 1 41 41 VAL C C 41 175.924 175.924 178.070 -2.146 18218 2370 1 5 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.908 -3.449 18218 2371 1 5 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.884 -2.843 18218 2372 1 5 . 1 1 41 41 VAL H H 41 7.624 7.624 7.974 -0.350 18218 2373 1 5 . 1 1 42 42 ALA N N 42 122.172 122.172 121.566 0.606 18218 2374 1 5 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.917 0.188 18218 2375 1 5 . 1 1 42 42 ALA C C 42 176.582 176.582 179.606 -3.024 18218 2376 1 5 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.302 -3.037 18218 2377 1 5 . 1 1 42 42 ALA CB C 42 14.880 14.880 18.031 -3.151 18218 2378 1 5 . 1 1 42 42 ALA H H 42 8.008 8.008 8.436 -0.428 18218 2379 1 5 . 1 1 43 43 ALA N N 43 119.990 119.990 121.567 -1.577 18218 2380 1 5 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.138 -0.147 18218 2381 1 5 . 1 1 43 43 ALA C C 43 176.455 176.455 178.907 -2.452 18218 2382 1 5 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.813 -2.520 18218 2383 1 5 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.165 -3.284 18218 2384 1 5 . 1 1 43 43 ALA H H 43 8.400 8.400 7.907 0.493 18218 2385 1 5 . 1 1 44 44 TYR N N 44 118.221 118.221 120.516 -2.295 18218 2386 1 5 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.016 0.203 18218 2387 1 5 . 1 1 44 44 TYR C C 44 175.177 175.177 177.614 -2.437 18218 2388 1 5 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.403 -3.122 18218 2389 1 5 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.321 -3.699 18218 2390 1 5 . 1 1 44 44 TYR H H 44 8.345 8.345 8.428 -0.083 18218 2391 1 5 . 1 1 45 45 ARG N N 45 119.104 119.104 118.402 0.702 18218 2392 1 5 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.580 0.253 18218 2393 1 5 . 1 1 45 45 ARG C C 45 176.531 176.531 178.734 -2.203 18218 2394 1 5 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.150 -2.720 18218 2395 1 5 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.480 -3.274 18218 2396 1 5 . 1 1 45 45 ARG H H 45 8.275 8.275 8.403 -0.128 18218 2397 1 5 . 1 1 46 46 ILE N N 46 119.719 119.719 121.846 -2.127 18218 2398 1 5 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.719 -0.018 18218 2399 1 5 . 1 1 46 46 ILE C C 46 174.873 174.873 178.158 -3.285 18218 2400 1 5 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.371 -2.937 18218 2401 1 5 . 1 1 46 46 ILE CB C 46 33.862 33.862 36.865 -3.003 18218 2402 1 5 . 1 1 46 46 ILE H H 46 8.119 8.119 7.863 0.256 18218 2403 1 5 . 1 1 47 47 TYR N N 47 121.419 121.419 119.153 2.266 18218 2404 1 5 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.946 0.036 18218 2405 1 5 . 1 1 47 47 TYR C C 47 175.544 175.544 177.732 -2.188 18218 2406 1 5 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.239 -3.640 18218 2407 1 5 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.098 -3.223 18218 2408 1 5 . 1 1 47 47 TYR H H 47 8.383 8.383 8.785 -0.402 18218 2409 1 5 . 1 1 48 48 ARG N N 48 118.278 118.278 117.939 0.339 18218 2410 1 5 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.816 -0.124 18218 2411 1 5 . 1 1 48 48 ARG C C 48 175.671 175.671 178.788 -3.117 18218 2412 1 5 . 1 1 48 48 ARG CA C 48 54.955 54.955 59.083 -4.128 18218 2413 1 5 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.248 -4.295 18218 2414 1 5 . 1 1 48 48 ARG H H 48 8.074 8.074 7.837 0.237 18218 2415 1 5 . 1 1 49 49 LEU N N 49 120.350 120.350 119.938 0.412 18218 2416 1 5 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.019 0.129 18218 2417 1 5 . 1 1 49 49 LEU C C 49 175.772 175.772 177.989 -2.217 18218 2418 1 5 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.704 -4.196 18218 2419 1 5 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.276 -3.795 18218 2420 1 5 . 1 1 49 49 LEU H H 49 7.744 7.744 8.071 -0.327 18218 2421 1 5 . 1 1 50 50 ARG N N 50 117.990 117.990 118.089 -0.099 18218 2422 1 5 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.234 -0.080 18218 2423 1 5 . 1 1 50 50 ARG C C 50 174.139 174.139 174.616 -0.477 18218 2424 1 5 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.329 -3.271 18218 2425 1 5 . 1 1 50 50 ARG CB C 50 26.206 26.206 31.073 -4.867 18218 2426 1 5 . 1 1 50 50 ARG H H 50 7.686 7.686 8.174 -0.488 18218 2427 1 5 . 1 1 51 51 SER N N 51 115.124 115.124 112.324 2.800 18218 2428 1 5 . 1 1 51 51 SER HA H 51 4.274 4.274 4.692 -0.418 18218 2429 1 5 . 1 1 51 51 SER C C 51 172.392 172.392 173.989 -1.597 18218 2430 1 5 . 1 1 51 51 SER CA C 51 56.112 56.112 56.673 -0.561 18218 2431 1 5 . 1 1 51 51 SER CB C 51 60.075 60.075 65.232 -5.157 18218 2432 1 5 . 1 1 51 51 SER H H 51 7.873 7.873 8.080 -0.207 18218 2433 1 5 . 1 1 52 52 ARG N N 52 122.132 122.132 125.578 -3.446 18218 2434 1 5 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.527 -0.251 18218 2435 1 5 . 1 1 52 52 ARG C C 52 174.316 174.316 176.809 -2.493 18218 2436 1 5 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.389 -2.967 18218 2437 1 5 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.038 -4.706 18218 2438 1 5 . 1 1 52 52 ARG H H 52 7.923 7.923 8.892 -0.969 18218 2439 1 5 . 1 1 53 53 GLY N N 53 108.907 108.907 106.112 2.795 18218 2440 1 5 . 1 1 53 53 GLY C C 53 171.405 171.405 175.052 -3.647 18218 2441 1 5 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.053 -2.594 18218 2442 1 5 . 1 1 53 53 GLY H H 53 8.142 8.142 7.961 0.181 18218 2443 1 5 . 1 1 54 54 SER N N 54 115.609 115.609 116.772 -1.163 18218 2444 1 5 . 1 1 54 54 SER HA H 54 4.470 4.470 4.380 0.090 18218 2445 1 5 . 1 1 54 54 SER C C 54 172.367 172.367 175.696 -3.329 18218 2446 1 5 . 1 1 54 54 SER CA C 54 55.504 55.504 60.242 -4.738 18218 2447 1 5 . 1 1 54 54 SER CB C 54 60.537 60.537 63.216 -2.679 18218 2448 1 5 . 1 1 54 54 SER H H 54 8.042 8.042 8.331 -0.289 18218 2449 1 5 . 1 1 55 55 THR N N 55 117.148 117.148 111.863 5.285 18218 2450 1 5 . 1 1 55 55 THR HA H 55 4.244 4.244 4.369 -0.125 18218 2451 1 5 . 1 1 55 55 THR C C 55 171.785 171.785 173.717 -1.932 18218 2452 1 5 . 1 1 55 55 THR CA C 55 59.612 59.612 62.074 -2.462 18218 2453 1 5 . 1 1 55 55 THR CB C 55 66.322 66.322 68.040 -1.718 18218 2454 1 5 . 1 1 55 55 THR H H 55 8.123 8.123 8.132 -0.009 18218 2455 1 5 . 1 1 56 56 LYS N N 56 123.462 123.462 123.407 0.055 18218 2456 1 5 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.585 -0.341 18218 2457 1 5 . 1 1 56 56 LYS C C 56 173.848 173.848 174.679 -0.831 18218 2458 1 5 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.100 -3.534 18218 2459 1 5 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.505 -4.388 18218 2460 1 5 . 1 1 56 56 LYS H H 56 8.184 8.184 8.080 0.104 18218 2461 1 5 . 1 1 57 57 MET N N 57 121.145 121.145 120.791 0.354 18218 2462 1 5 . 1 1 57 57 MET HA H 57 4.425 4.425 4.769 -0.344 18218 2463 1 5 . 1 1 57 57 MET C C 57 172.835 172.835 174.642 -1.807 18218 2464 1 5 . 1 1 57 57 MET CA C 57 52.930 52.930 55.784 -2.854 18218 2465 1 5 . 1 1 57 57 MET CB C 57 29.876 29.876 32.844 -2.968 18218 2466 1 5 . 1 1 57 57 MET H H 57 8.153 8.153 8.137 0.016 18218 2467 1 5 . 1 1 58 58 SER N N 58 116.811 116.811 116.849 -0.038 18218 2468 1 5 . 1 1 58 58 SER HA H 58 4.470 4.470 4.693 -0.223 18218 2469 1 5 . 1 1 58 58 SER C C 58 171.620 171.620 173.071 -1.451 18218 2470 1 5 . 1 1 58 58 SER CA C 58 55.041 55.041 57.931 -2.890 18218 2471 1 5 . 1 1 58 58 SER CB C 58 60.653 60.653 64.794 -4.141 18218 2472 1 5 . 1 1 58 58 SER H H 58 7.895 7.895 8.065 -0.170 18218 2473 1 5 . 1 1 59 59 ILE N N 59 122.346 122.346 120.444 1.902 18218 2474 1 5 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.249 -0.259 18218 2475 1 5 . 1 1 59 59 ILE C C 59 173.127 173.127 176.144 -3.017 18218 2476 1 5 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.623 -3.081 18218 2477 1 5 . 1 1 59 59 ILE CB C 59 34.938 34.938 37.109 -2.171 18218 2478 1 5 . 1 1 59 59 ILE H H 59 8.110 8.110 8.487 -0.377 18218 2479 1 5 . 1 1 60 60 HIS N N 60 121.006 121.006 122.473 -1.467 18218 2480 1 5 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.182 -0.168 18218 2481 1 5 . 1 1 60 60 HIS C C 60 172.443 172.443 173.826 -1.383 18218 2482 1 5 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.861 -3.497 18218 2483 1 5 . 1 1 60 60 HIS CB C 60 25.510 25.510 29.199 -3.689 18218 2484 1 5 . 1 1 60 60 HIS H H 60 8.235 8.235 8.779 -0.544 18218 2485 1 5 . 1 1 61 61 LEU N N 61 120.472 120.472 117.145 3.327 18218 2486 1 5 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.100 0.089 18218 2487 1 5 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.739 -2.550 18218 2488 1 5 . 1 1 61 61 LEU CB C 61 38.864 38.864 40.480 -1.616 18218 2489 1 5 . 1 1 61 61 LEU H H 61 8.045 8.045 8.025 0.020 18218 2490 1 5 . 1 1 62 62 ILE N N 62 117.281 117.281 119.453 -2.172 18218 2491 1 5 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.419 -0.522 18218 2492 1 5 . 1 1 62 62 ILE CA C 62 59.149 59.149 60.895 -1.746 18218 2493 1 5 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.079 -3.647 18218 2494 1 5 . 1 1 62 62 ILE H H 62 7.555 7.555 8.012 -0.457 18218 2495 1 5 . 1 1 63 63 HIS N N 63 119.488 119.488 121.814 -2.326 18218 2496 1 5 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.867 -0.230 18218 2497 1 5 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.361 -3.924 18218 2498 1 5 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.704 -4.574 18218 2499 1 5 . 1 1 63 63 HIS H H 63 8.179 8.179 8.189 -0.010 18218 2500 1 5 . 1 1 64 64 THR N N 64 112.132 112.132 116.111 -3.979 18218 2501 1 5 . 1 1 64 64 THR HA H 64 4.296 4.296 4.575 -0.279 18218 2502 1 5 . 1 1 64 64 THR C C 64 175.063 175.063 175.093 -0.030 18218 2503 1 5 . 1 1 64 64 THR CA C 64 58.802 58.802 61.578 -2.776 18218 2504 1 5 . 1 1 64 64 THR CB C 64 67.588 67.588 70.716 -3.128 18218 2505 1 5 . 1 1 64 64 THR H H 64 7.576 7.576 7.809 -0.233 18218 2506 1 5 . 1 1 65 65 ARG N N 65 123.493 123.493 125.225 -1.732 18218 2507 1 5 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.161 0.135 18218 2508 1 5 . 1 1 65 65 ARG C C 65 175.633 175.633 178.015 -2.382 18218 2509 1 5 . 1 1 65 65 ARG CA C 65 55.331 55.331 59.457 -4.126 18218 2510 1 5 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.222 -4.079 18218 2511 1 5 . 1 1 65 65 ARG H H 65 8.713 8.713 8.781 -0.068 18218 2512 1 5 . 1 1 66 66 VAL N N 66 117.974 117.974 119.364 -1.390 18218 2513 1 5 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.682 0.315 18218 2514 1 5 . 1 1 66 66 VAL C C 66 174.215 174.215 177.815 -3.600 18218 2515 1 5 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.509 -4.815 18218 2516 1 5 . 1 1 66 66 VAL CB C 66 28.041 28.041 30.920 -2.879 18218 2517 1 5 . 1 1 66 66 VAL H H 66 7.987 7.987 8.147 -0.160 18218 2518 1 5 . 1 1 67 67 ALA N N 67 123.016 123.016 122.499 0.517 18218 2519 1 5 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.160 -0.160 18218 2520 1 5 . 1 1 67 67 ALA C C 67 175.367 175.367 179.617 -4.250 18218 2521 1 5 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.302 -3.182 18218 2522 1 5 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.064 -3.311 18218 2523 1 5 . 1 1 67 67 ALA H H 67 7.645 7.645 8.288 -0.643 18218 2524 1 5 . 1 1 68 68 ALA N N 68 120.682 120.682 120.993 -0.311 18218 2525 1 5 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.809 0.370 18218 2526 1 5 . 1 1 68 68 ALA C C 68 178.354 178.354 179.792 -1.438 18218 2527 1 5 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.274 -3.125 18218 2528 1 5 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.092 -3.339 18218 2529 1 5 . 1 1 68 68 ALA H H 68 7.931 7.931 8.415 -0.484 18218 2530 1 5 . 1 1 69 69 GLN N N 69 119.129 119.129 119.312 -0.183 18218 2531 1 5 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.866 0.410 18218 2532 1 5 . 1 1 69 69 GLN C C 69 175.430 175.430 178.519 -3.089 18218 2533 1 5 . 1 1 69 69 GLN CA C 69 55.273 55.273 59.159 -3.886 18218 2534 1 5 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.417 -3.287 18218 2535 1 5 . 1 1 69 69 GLN H H 69 8.213 8.213 8.145 0.068 18218 2536 1 5 . 1 1 70 70 ALA N N 70 122.065 122.065 121.450 0.615 18218 2537 1 5 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.701 0.299 18218 2538 1 5 . 1 1 70 70 ALA C C 70 176.734 176.734 179.173 -2.439 18218 2539 1 5 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.648 -2.499 18218 2540 1 5 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.747 -2.994 18218 2541 1 5 . 1 1 70 70 ALA H H 70 8.397 8.397 8.416 -0.019 18218 2542 1 5 . 1 1 71 71 CYS N N 71 115.893 115.893 116.742 -0.849 18218 2543 1 5 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.101 -0.048 18218 2544 1 5 . 1 1 71 71 CYS C C 71 173.696 173.696 176.619 -2.923 18218 2545 1 5 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.881 -3.430 18218 2546 1 5 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.526 -4.041 18218 2547 1 5 . 1 1 71 71 CYS H H 71 8.169 8.169 7.978 0.191 18218 2548 1 5 . 1 1 72 72 ALA N N 72 122.868 122.868 122.626 0.242 18218 2549 1 5 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.031 0.229 18218 2550 1 5 . 1 1 72 72 ALA C C 72 177.886 177.886 179.316 -1.430 18218 2551 1 5 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.658 -3.625 18218 2552 1 5 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.991 -3.238 18218 2553 1 5 . 1 1 72 72 ALA H H 72 7.742 7.742 8.220 -0.478 18218 2554 1 5 . 1 1 73 73 VAL N N 73 118.066 118.066 115.801 2.265 18218 2555 1 5 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.639 0.137 18218 2556 1 5 . 1 1 73 73 VAL C C 73 175.696 175.696 178.063 -2.367 18218 2557 1 5 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.671 -3.022 18218 2558 1 5 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.278 -2.174 18218 2559 1 5 . 1 1 73 73 VAL H H 73 8.050 8.050 8.261 -0.211 18218 2560 1 5 . 1 1 74 74 GLY N N 74 109.146 109.146 108.595 0.551 18218 2561 1 5 . 1 1 74 74 GLY C C 74 171.962 171.962 175.573 -3.611 18218 2562 1 5 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.983 -2.413 18218 2563 1 5 . 1 1 74 74 GLY H H 74 8.648 8.648 7.923 0.725 18218 2564 1 5 . 1 1 75 75 ALA N N 75 123.035 123.035 125.273 -2.238 18218 2565 1 5 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.051 0.038 18218 2566 1 5 . 1 1 75 75 ALA C C 75 178.253 178.253 179.564 -1.311 18218 2567 1 5 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.838 -2.400 18218 2568 1 5 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.374 -3.684 18218 2569 1 5 . 1 1 75 75 ALA H H 75 8.213 8.213 7.979 0.234 18218 2570 1 5 . 1 1 76 76 ILE N N 76 120.121 120.121 119.966 0.155 18218 2571 1 5 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.535 0.294 18218 2572 1 5 . 1 1 76 76 ILE C C 76 176.506 176.506 178.037 -1.531 18218 2573 1 5 . 1 1 76 76 ILE CA C 76 61.318 61.318 66.163 -4.845 18218 2574 1 5 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.961 -3.593 18218 2575 1 5 . 1 1 76 76 ILE H H 76 7.523 7.523 8.115 -0.592 18218 2576 1 5 . 1 1 77 77 MET N N 77 120.468 120.468 118.642 1.826 18218 2577 1 5 . 1 1 77 77 MET HA H 77 4.116 4.116 3.960 0.156 18218 2578 1 5 . 1 1 77 77 MET C C 77 175.038 175.038 178.291 -3.253 18218 2579 1 5 . 1 1 77 77 MET CA C 77 56.314 56.314 59.339 -3.025 18218 2580 1 5 . 1 1 77 77 MET CB C 77 34.242 34.242 32.537 1.705 18218 2581 1 5 . 1 1 77 77 MET H H 77 8.239 8.239 8.042 0.197 18218 2582 1 5 . 1 1 78 78 LEU N N 78 119.389 119.389 119.328 0.061 18218 2583 1 5 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.904 0.060 18218 2584 1 5 . 1 1 78 78 LEU C C 78 176.202 176.202 178.786 -2.584 18218 2585 1 5 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.551 -3.683 18218 2586 1 5 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.480 -3.695 18218 2587 1 5 . 1 1 78 78 LEU H H 78 8.571 8.571 8.281 0.290 18218 2588 1 5 . 1 1 79 79 GLY N N 79 105.857 105.857 105.840 0.017 18218 2589 1 5 . 1 1 79 79 GLY C C 79 173.861 173.861 175.804 -1.943 18218 2590 1 5 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.523 -3.271 18218 2591 1 5 . 1 1 79 79 GLY H H 79 8.006 8.006 8.389 -0.383 18218 2592 1 5 . 1 1 80 80 ALA N N 80 125.631 125.631 125.003 0.628 18218 2593 1 5 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.964 0.331 18218 2594 1 5 . 1 1 80 80 ALA C C 80 177.544 177.544 179.489 -1.945 18218 2595 1 5 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.012 -3.008 18218 2596 1 5 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.579 -3.889 18218 2597 1 5 . 1 1 80 80 ALA H H 80 7.971 7.971 7.936 0.035 18218 2598 1 5 . 1 1 81 81 VAL N N 81 118.858 118.858 119.812 -0.954 18218 2599 1 5 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.631 0.109 18218 2600 1 5 . 1 1 81 81 VAL C C 81 174.974 174.974 177.990 -3.016 18218 2601 1 5 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.936 -2.622 18218 2602 1 5 . 1 1 81 81 VAL CB C 81 27.788 27.788 30.955 -3.167 18218 2603 1 5 . 1 1 81 81 VAL H H 81 8.206 8.206 8.292 -0.086 18218 2604 1 5 . 1 1 82 82 TYR N N 82 121.151 121.151 119.577 1.574 18218 2605 1 5 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.986 0.291 18218 2606 1 5 . 1 1 82 82 TYR C C 82 176.038 176.038 178.134 -2.096 18218 2607 1 5 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.180 -3.378 18218 2608 1 5 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.252 -3.821 18218 2609 1 5 . 1 1 82 82 TYR H H 82 8.614 8.614 8.759 -0.145 18218 2610 1 5 . 1 1 83 83 THR N N 83 118.253 118.253 114.464 3.789 18218 2611 1 5 . 1 1 83 83 THR HA H 83 4.340 4.340 3.952 0.388 18218 2612 1 5 . 1 1 83 83 THR CA C 83 63.980 63.980 66.773 -2.793 18218 2613 1 5 . 1 1 83 83 THR CB C 83 65.437 65.437 68.483 -3.046 18218 2614 1 5 . 1 1 83 83 THR H H 83 8.361 8.361 8.513 -0.152 18218 2615 1 5 . 1 1 84 84 MET N N 84 121.616 121.616 121.532 0.084 18218 2616 1 5 . 1 1 84 84 MET C C 84 175.949 175.949 177.788 -1.839 18218 2617 1 5 . 1 1 84 84 MET CA C 84 56.603 56.603 58.263 -1.660 18218 2618 1 5 . 1 1 84 84 MET CB C 84 29.180 29.180 32.072 -2.892 18218 2619 1 5 . 1 1 84 84 MET H H 84 8.053 8.053 8.221 -0.168 18218 2620 1 5 . 1 1 85 85 TYR N N 85 120.690 120.690 119.600 1.090 18218 2621 1 5 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.078 0.092 18218 2622 1 5 . 1 1 85 85 TYR C C 85 173.709 173.709 177.546 -3.837 18218 2623 1 5 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.295 -2.811 18218 2624 1 5 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.088 -3.150 18218 2625 1 5 . 1 1 85 85 TYR H H 85 8.543 8.543 8.494 0.049 18218 2626 1 5 . 1 1 86 86 SER N N 86 115.536 115.536 112.222 3.314 18218 2627 1 5 . 1 1 86 86 SER HA H 86 3.802 3.802 4.371 -0.569 18218 2628 1 5 . 1 1 86 86 SER C C 86 174.709 174.709 176.018 -1.309 18218 2629 1 5 . 1 1 86 86 SER CA C 86 58.542 58.542 60.920 -2.378 18218 2630 1 5 . 1 1 86 86 SER CB C 86 59.243 59.243 63.810 -4.567 18218 2631 1 5 . 1 1 86 86 SER H H 86 8.422 8.422 8.278 0.144 18218 2632 1 5 . 1 1 87 87 ASP N N 87 121.132 121.132 123.002 -1.870 18218 2633 1 5 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.334 0.015 18218 2634 1 5 . 1 1 87 87 ASP C C 87 175.177 175.177 178.082 -2.905 18218 2635 1 5 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.767 -2.998 18218 2636 1 5 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.757 -4.427 18218 2637 1 5 . 1 1 87 87 ASP H H 87 8.295 8.295 8.032 0.263 18218 2638 1 5 . 1 1 88 88 TYR N N 88 122.430 122.430 119.914 2.516 18218 2639 1 5 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.087 0.029 18218 2640 1 5 . 1 1 88 88 TYR C C 88 174.772 174.772 177.139 -2.367 18218 2641 1 5 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.440 -1.898 18218 2642 1 5 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.615 -3.487 18218 2643 1 5 . 1 1 88 88 TYR H H 88 7.919 7.919 8.278 -0.359 18218 2644 1 5 . 1 1 89 89 VAL N N 89 118.321 118.321 117.124 1.197 18218 2645 1 5 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.731 -0.305 18218 2646 1 5 . 1 1 89 89 VAL C C 89 176.101 176.101 177.181 -1.080 18218 2647 1 5 . 1 1 89 89 VAL CA C 89 62.794 62.794 65.091 -2.297 18218 2648 1 5 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.483 -3.632 18218 2649 1 5 . 1 1 89 89 VAL H H 89 8.121 8.121 8.313 -0.192 18218 2650 1 5 . 1 1 90 90 LYS N N 90 120.272 120.272 116.793 3.479 18218 2651 1 5 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.814 0.195 18218 2652 1 5 . 1 1 90 90 LYS C C 90 176.126 176.126 175.477 0.649 18218 2653 1 5 . 1 1 90 90 LYS CA C 90 55.851 55.851 57.667 -1.816 18218 2654 1 5 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.548 -2.938 18218 2655 1 5 . 1 1 90 90 LYS H H 90 7.708 7.708 8.588 -0.880 18218 2656 1 5 . 1 1 91 91 ARG N N 91 119.904 119.904 119.175 0.729 18218 2657 1 5 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.458 -0.430 18218 2658 1 5 . 1 1 91 91 ARG C C 91 175.544 175.544 174.984 0.560 18218 2659 1 5 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.139 0.047 18218 2660 1 5 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.499 -4.230 18218 2661 1 5 . 1 1 91 91 ARG H H 91 7.685 7.685 7.994 -0.309 18218 2662 1 5 . 1 1 92 92 MET N N 92 118.654 118.654 121.201 -2.547 18218 2663 1 5 . 1 1 92 92 MET HA H 92 4.248 4.248 4.677 -0.429 18218 2664 1 5 . 1 1 92 92 MET C C 92 174.810 174.810 175.259 -0.449 18218 2665 1 5 . 1 1 92 92 MET CA C 92 53.508 53.508 56.234 -2.726 18218 2666 1 5 . 1 1 92 92 MET CB C 92 26.016 26.016 32.733 -6.718 18218 2667 1 5 . 1 1 92 92 MET H H 92 7.790 7.790 8.380 -0.590 18218 2668 1 5 . 1 1 93 93 ALA N N 93 122.890 122.890 128.907 -6.017 18218 2669 1 5 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.437 -0.226 18218 2670 1 5 . 1 1 93 93 ALA C C 93 175.633 175.633 177.113 -1.480 18218 2671 1 5 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.511 -2.589 18218 2672 1 5 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.768 -4.509 18218 2673 1 5 . 1 1 93 93 ALA H H 93 7.648 7.648 8.798 -1.150 18218 2674 1 5 . 1 1 94 94 GLN N N 94 119.315 119.315 120.145 -0.830 18218 2675 1 5 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.600 -0.401 18218 2676 1 5 . 1 1 94 94 GLN C C 94 173.676 173.676 174.913 -1.237 18218 2677 1 5 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.709 -2.345 18218 2678 1 5 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.641 -2.751 18218 2679 1 5 . 1 1 94 94 GLN H H 94 7.887 7.887 8.503 -0.616 18218 2680 1 5 . 1 1 95 95 ASP N N 95 121.546 121.546 122.824 -1.278 18218 2681 1 5 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.634 -0.074 18218 2682 1 5 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.281 -2.797 18218 2683 1 5 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.805 -4.083 18218 2684 1 5 . 1 1 95 95 ASP H H 95 8.199 8.199 8.494 -0.295 18218 2685 1 5 . 1 1 96 96 ALA N N 96 125.033 125.033 123.262 1.771 18218 2686 1 5 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.340 -0.085 18218 2687 1 5 . 1 1 96 96 ALA C C 96 175.645 175.645 179.114 -3.469 18218 2688 1 5 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.508 -2.731 18218 2689 1 5 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.109 -3.533 18218 2690 1 5 . 1 1 96 96 ALA H H 96 8.062 8.062 7.863 0.199 18218 2691 1 5 . 1 1 97 97 GLY N N 97 108.048 108.048 109.779 -1.731 18218 2692 1 5 . 1 1 97 97 GLY C C 97 171.418 171.418 175.098 -3.680 18218 2693 1 5 . 1 1 97 97 GLY CA C 97 42.140 42.140 46.359 -4.219 18218 2694 1 5 . 1 1 97 97 GLY H H 97 8.196 8.196 8.481 -0.285 18218 2695 1 5 . 1 1 98 98 GLU N N 98 121.445 121.445 122.185 -0.740 18218 2696 1 5 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.266 -0.001 18218 2697 1 5 . 1 1 98 98 GLU C C 98 172.987 172.987 176.597 -3.610 18218 2698 1 5 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.786 -3.509 18218 2699 1 5 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.687 -3.291 18218 2700 1 5 . 1 1 98 98 GLU H H 98 8.086 8.086 8.113 -0.027 18218 2701 1 6 . 1 1 2 2 SER N N 2 116.234 116.234 115.775 0.459 18218 2702 1 6 . 1 1 2 2 SER HA H 2 4.828 4.828 4.833 -0.005 18218 2703 1 6 . 1 1 2 2 SER C C 2 171.696 171.696 173.406 -1.710 18218 2704 1 6 . 1 1 2 2 SER CA C 2 55.273 55.273 57.958 -2.685 18218 2705 1 6 . 1 1 2 2 SER CB C 2 60.624 60.624 64.948 -4.324 18218 2706 1 6 . 1 1 2 2 SER H H 2 7.958 7.958 8.565 -0.607 18218 2707 1 6 . 1 1 3 3 ALA N N 3 125.895 125.895 125.716 0.179 18218 2708 1 6 . 1 1 3 3 ALA C C 3 174.633 174.633 177.581 -2.948 18218 2709 1 6 . 1 1 3 3 ALA CA C 3 49.719 49.719 53.109 -3.390 18218 2710 1 6 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.298 -3.786 18218 2711 1 6 . 1 1 3 3 ALA H H 3 8.273 8.273 8.523 -0.250 18218 2712 1 6 . 1 1 4 4 ASN N N 4 118.166 118.166 115.756 2.410 18218 2713 1 6 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.675 -0.075 18218 2714 1 6 . 1 1 4 4 ASN C C 4 172.089 172.089 174.104 -2.015 18218 2715 1 6 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.661 -3.392 18218 2716 1 6 . 1 1 4 4 ASN CB C 4 35.571 35.571 39.126 -3.555 18218 2717 1 6 . 1 1 4 4 ASN H H 4 8.307 8.307 8.352 -0.045 18218 2718 1 6 . 1 1 5 5 ARG N N 5 121.553 121.553 122.439 -0.886 18218 2719 1 6 . 1 1 5 5 ARG HA H 5 4.169 4.169 3.990 0.179 18218 2720 1 6 . 1 1 5 5 ARG C C 5 173.013 173.013 175.330 -2.317 18218 2721 1 6 . 1 1 5 5 ARG CA C 5 52.814 52.814 57.264 -4.450 18218 2722 1 6 . 1 1 5 5 ARG CB C 5 27.218 27.218 29.760 -2.542 18218 2723 1 6 . 1 1 5 5 ARG H H 5 8.058 8.058 8.642 -0.584 18218 2724 1 6 . 1 1 6 6 ARG N N 6 122.689 122.689 123.352 -0.663 18218 2725 1 6 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.281 -0.340 18218 2726 1 6 . 1 1 6 6 ARG C C 6 173.392 173.392 176.502 -3.110 18218 2727 1 6 . 1 1 6 6 ARG CA C 6 52.265 52.265 55.495 -3.231 18218 2728 1 6 . 1 1 6 6 ARG CB C 6 26.206 26.206 29.438 -3.232 18218 2729 1 6 . 1 1 6 6 ARG H H 6 8.122 8.122 8.582 -0.460 18218 2730 1 6 . 1 1 7 7 TRP N N 7 120.901 120.901 127.836 -6.935 18218 2731 1 6 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.699 -0.281 18218 2732 1 6 . 1 1 7 7 TRP C C 7 172.557 172.557 175.407 -2.850 18218 2733 1 6 . 1 1 7 7 TRP CA C 7 54.521 54.521 55.969 -1.448 18218 2734 1 6 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.601 -3.522 18218 2735 1 6 . 1 1 7 7 TRP H H 7 7.585 7.585 8.620 -1.035 18218 2736 1 6 . 1 1 8 8 TRP N N 8 118.192 118.192 127.164 -8.972 18218 2737 1 6 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.370 0.081 18218 2738 1 6 . 1 1 8 8 TRP C C 8 171.456 171.456 176.564 -5.108 18218 2739 1 6 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.980 -3.038 18218 2740 1 6 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.584 -4.074 18218 2741 1 6 . 1 1 8 8 TRP H H 8 6.811 6.811 7.976 -1.165 18218 2742 1 6 . 1 1 9 9 VAL N N 9 122.005 122.005 128.479 -6.474 18218 2743 1 6 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.077 0.075 18218 2744 1 6 . 1 1 9 9 VAL C C 9 170.671 170.671 174.991 -4.320 18218 2745 1 6 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.785 -4.702 18218 2746 1 6 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.410 -2.231 18218 2747 1 6 . 1 1 9 9 VAL H H 9 6.949 6.949 8.467 -1.518 18218 2748 1 6 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.438 -2.106 18218 2749 1 6 . 1 1 11 11 PRO CB C 11 29.383 29.383 30.158 -0.775 18218 2750 1 6 . 1 1 12 12 ASP N N 12 119.443 119.443 122.990 -3.547 18218 2751 1 6 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.490 0.034 18218 2752 1 6 . 1 1 12 12 ASP C C 12 174.215 174.215 175.704 -1.489 18218 2753 1 6 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.670 -4.244 18218 2754 1 6 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.566 -4.287 18218 2755 1 6 . 1 1 12 12 ASP H H 12 8.241 8.241 8.169 0.072 18218 2756 1 6 . 1 1 13 13 ASP N N 13 119.369 119.369 124.528 -5.159 18218 2757 1 6 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.748 -0.168 18218 2758 1 6 . 1 1 13 13 ASP C C 13 175.379 175.379 175.259 0.120 18218 2759 1 6 . 1 1 13 13 ASP CA C 13 51.107 51.107 53.935 -2.828 18218 2760 1 6 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.682 -5.340 18218 2761 1 6 . 1 1 13 13 ASP H H 13 7.980 7.980 8.235 -0.255 18218 2762 1 6 . 1 1 14 14 GLU N N 14 121.036 121.036 125.322 -4.286 18218 2763 1 6 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.290 -0.130 18218 2764 1 6 . 1 1 14 14 GLU C C 14 173.633 173.633 175.394 -1.761 18218 2765 1 6 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.115 -2.999 18218 2766 1 6 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.273 -3.067 18218 2767 1 6 . 1 1 14 14 GLU H H 14 8.197 8.197 8.663 -0.466 18218 2768 1 6 . 1 1 15 15 ASP N N 15 120.130 120.130 122.012 -1.882 18218 2769 1 6 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.804 -0.162 18218 2770 1 6 . 1 1 15 15 ASP C C 15 173.595 173.595 175.480 -1.885 18218 2771 1 6 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.538 -2.083 18218 2772 1 6 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.946 -5.477 18218 2773 1 6 . 1 1 15 15 ASP H H 15 8.308 8.308 8.014 0.294 18218 2774 1 6 . 1 1 16 16 CYS N N 16 118.700 118.700 119.584 -0.884 18218 2775 1 6 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.539 -0.088 18218 2776 1 6 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.138 -3.401 18218 2777 1 6 . 1 1 16 16 CYS CB C 16 24.687 24.687 29.322 -4.635 18218 2778 1 6 . 1 1 16 16 CYS H H 16 7.968 7.968 8.494 -0.526 18218 2779 1 6 . 1 1 17 17 VAL N N 17 123.275 123.275 116.407 6.868 18218 2780 1 6 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.281 -0.553 18218 2781 1 6 . 1 1 17 17 VAL C C 17 174.430 174.430 174.102 0.328 18218 2782 1 6 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.467 0.037 18218 2783 1 6 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.864 -5.633 18218 2784 1 6 . 1 1 17 17 VAL H H 17 8.550 8.550 8.086 0.464 18218 2785 1 6 . 1 1 18 18 SER N N 18 116.499 116.499 115.715 0.784 18218 2786 1 6 . 1 1 18 18 SER HA H 18 3.822 3.822 4.026 -0.204 18218 2787 1 6 . 1 1 18 18 SER CA C 18 58.484 58.484 59.133 -0.649 18218 2788 1 6 . 1 1 18 18 SER CB C 18 59.109 59.109 62.391 -3.282 18218 2789 1 6 . 1 1 18 18 SER H H 18 8.447 8.447 8.167 0.280 18218 2790 1 6 . 1 1 19 19 GLU N N 19 121.940 121.940 122.663 -0.723 18218 2791 1 6 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.040 -0.030 18218 2792 1 6 . 1 1 19 19 GLU C C 19 175.544 175.544 178.432 -2.888 18218 2793 1 6 . 1 1 19 19 GLU CA C 19 55.620 55.620 58.831 -3.211 18218 2794 1 6 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.351 -3.904 18218 2795 1 6 . 1 1 19 19 GLU H H 19 7.686 7.686 8.847 -1.161 18218 2796 1 6 . 1 1 20 20 LYS N N 20 119.855 119.855 120.848 -0.993 18218 2797 1 6 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.046 -0.126 18218 2798 1 6 . 1 1 20 20 LYS C C 20 173.696 173.696 178.932 -5.236 18218 2799 1 6 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.027 -2.973 18218 2800 1 6 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.226 -3.299 18218 2801 1 6 . 1 1 20 20 LYS H H 20 7.898 7.898 7.565 0.333 18218 2802 1 6 . 1 1 21 21 LEU N N 21 119.542 119.542 120.613 -1.071 18218 2803 1 6 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.009 0.032 18218 2804 1 6 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.834 -3.487 18218 2805 1 6 . 1 1 21 21 LEU CB C 21 38.418 38.418 42.118 -3.700 18218 2806 1 6 . 1 1 21 21 LEU H H 21 8.056 8.056 8.235 -0.179 18218 2807 1 6 . 1 1 22 22 LEU N N 22 120.384 120.384 120.277 0.107 18218 2808 1 6 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.882 0.168 18218 2809 1 6 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.252 -3.905 18218 2810 1 6 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.754 -3.842 18218 2811 1 6 . 1 1 22 22 LEU H H 22 8.097 8.097 8.341 -0.243 18218 2812 1 6 . 1 1 23 23 ARG N N 23 119.486 119.486 118.061 1.425 18218 2813 1 6 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.871 0.124 18218 2814 1 6 . 1 1 23 23 ARG C C 23 175.443 175.443 178.691 -3.248 18218 2815 1 6 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.862 -3.040 18218 2816 1 6 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.044 -3.712 18218 2817 1 6 . 1 1 23 23 ARG H H 23 8.032 8.032 8.066 -0.034 18218 2818 1 6 . 1 1 24 24 LYS N N 24 119.009 119.009 117.920 1.089 18218 2819 1 6 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.079 0.061 18218 2820 1 6 . 1 1 24 24 LYS C C 24 175.633 175.633 177.019 -1.386 18218 2821 1 6 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.661 -3.938 18218 2822 1 6 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.784 -4.174 18218 2823 1 6 . 1 1 24 24 LYS H H 24 7.860 7.860 7.956 -0.096 18218 2824 1 6 . 1 1 25 25 THR N N 25 112.776 112.776 112.171 0.605 18218 2825 1 6 . 1 1 25 25 THR HA H 25 4.005 4.005 4.535 -0.530 18218 2826 1 6 . 1 1 25 25 THR C C 25 172.646 172.646 172.478 0.168 18218 2827 1 6 . 1 1 25 25 THR CA C 25 61.810 61.810 62.363 -0.553 18218 2828 1 6 . 1 1 25 25 THR CB C 25 65.753 65.753 70.607 -4.854 18218 2829 1 6 . 1 1 25 25 THR H H 25 7.867 7.867 7.939 -0.072 18218 2830 1 6 . 1 1 26 26 ARG N N 26 119.996 119.996 124.419 -4.423 18218 2831 1 6 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.554 -0.407 18218 2832 1 6 . 1 1 26 26 ARG C C 26 174.278 174.278 174.773 -0.495 18218 2833 1 6 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.270 -1.923 18218 2834 1 6 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.371 -3.343 18218 2835 1 6 . 1 1 26 26 ARG H H 26 7.765 7.765 8.396 -0.631 18218 2836 1 6 . 1 1 27 27 GLU N N 27 118.067 118.067 121.606 -3.539 18218 2837 1 6 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.466 -0.179 18218 2838 1 6 . 1 1 27 27 GLU C C 27 173.582 173.582 175.081 -1.499 18218 2839 1 6 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.228 -2.864 18218 2840 1 6 . 1 1 27 27 GLU CB C 27 26.206 26.206 31.377 -5.171 18218 2841 1 6 . 1 1 27 27 GLU H H 27 7.764 7.764 8.239 -0.475 18218 2842 1 6 . 1 1 28 28 SER N N 28 115.900 115.900 116.102 -0.202 18218 2843 1 6 . 1 1 28 28 SER HA H 28 4.740 4.740 4.404 0.336 18218 2844 1 6 . 1 1 28 28 SER C C 28 170.481 170.481 172.107 -1.626 18218 2845 1 6 . 1 1 28 28 SER CA C 28 53.132 53.132 58.236 -5.104 18218 2846 1 6 . 1 1 28 28 SER CB C 28 60.624 60.624 63.465 -2.841 18218 2847 1 6 . 1 1 28 28 SER H H 28 7.630 7.630 8.308 -0.678 18218 2848 1 6 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.633 -0.097 18218 2849 1 6 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.264 -1.973 18218 2850 1 6 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.741 -3.294 18218 2851 1 6 . 1 1 30 30 LEU N N 30 120.365 120.365 122.694 -2.329 18218 2852 1 6 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.408 -0.199 18218 2853 1 6 . 1 1 30 30 LEU CA C 30 52.756 52.756 55.815 -3.059 18218 2854 1 6 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.718 -2.794 18218 2855 1 6 . 1 1 30 30 LEU H H 30 8.034 8.034 8.482 -0.448 18218 2856 1 6 . 1 1 31 31 VAL N N 31 117.988 117.988 121.132 -3.144 18218 2857 1 6 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.897 0.336 18218 2858 1 6 . 1 1 31 31 VAL C C 31 171.899 171.899 175.727 -3.828 18218 2859 1 6 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.690 -10.103 18218 2860 1 6 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.200 -0.490 18218 2861 1 6 . 1 1 31 31 VAL H H 31 7.499 7.499 8.309 -0.810 18218 2862 1 6 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.335 0.202 18218 2863 1 6 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.855 -5.759 18218 2864 1 6 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.230 -3.480 18218 2865 1 6 . 1 1 33 33 ILE N N 33 121.507 121.507 118.601 2.906 18218 2866 1 6 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.632 0.287 18218 2867 1 6 . 1 1 33 33 ILE C C 33 173.025 173.025 178.287 -5.262 18218 2868 1 6 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.634 -4.762 18218 2869 1 6 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.478 -2.983 18218 2870 1 6 . 1 1 33 33 ILE H H 33 7.982 7.982 7.880 0.102 18218 2871 1 6 . 1 1 34 34 GLY N N 34 111.381 111.381 107.829 3.552 18218 2872 1 6 . 1 1 34 34 GLY C C 34 172.987 172.987 175.816 -2.829 18218 2873 1 6 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.883 -3.876 18218 2874 1 6 . 1 1 34 34 GLY H H 34 8.540 8.540 8.471 0.069 18218 2875 1 6 . 1 1 35 35 LEU N N 35 122.626 122.626 123.639 -1.013 18218 2876 1 6 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.936 0.313 18218 2877 1 6 . 1 1 35 35 LEU C C 35 175.637 175.637 178.927 -3.290 18218 2878 1 6 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.763 -3.531 18218 2879 1 6 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.699 -3.091 18218 2880 1 6 . 1 1 35 35 LEU H H 35 7.964 7.964 7.834 0.130 18218 2881 1 6 . 1 1 36 36 GLY N N 36 106.708 106.708 106.053 0.655 18218 2882 1 6 . 1 1 36 36 GLY C C 36 172.647 172.647 176.007 -3.360 18218 2883 1 6 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.196 -2.770 18218 2884 1 6 . 1 1 36 36 GLY H H 36 8.521 8.521 8.686 -0.165 18218 2885 1 6 . 1 1 37 37 GLY N N 37 108.586 108.586 109.270 -0.684 18218 2886 1 6 . 1 1 37 37 GLY C C 37 173.291 173.291 175.760 -2.469 18218 2887 1 6 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.942 -2.806 18218 2888 1 6 . 1 1 37 37 GLY H H 37 8.270 8.270 8.316 -0.046 18218 2889 1 6 . 1 1 38 38 CYS N N 38 119.678 119.678 121.527 -1.849 18218 2890 1 6 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.208 0.036 18218 2891 1 6 . 1 1 38 38 CYS C C 38 174.215 174.215 176.232 -2.017 18218 2892 1 6 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.822 -3.586 18218 2893 1 6 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.785 -4.426 18218 2894 1 6 . 1 1 38 38 CYS H H 38 7.836 7.836 8.031 -0.195 18218 2895 1 6 . 1 1 39 39 LEU N N 39 120.798 120.798 120.979 -0.181 18218 2896 1 6 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.790 0.323 18218 2897 1 6 . 1 1 39 39 LEU C C 39 175.506 175.506 179.104 -3.598 18218 2898 1 6 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.121 -3.253 18218 2899 1 6 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.905 -4.056 18218 2900 1 6 . 1 1 39 39 LEU H H 39 7.999 7.999 8.109 -0.110 18218 2901 1 6 . 1 1 40 40 VAL N N 40 118.510 118.510 118.483 0.027 18218 2902 1 6 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.527 0.069 18218 2903 1 6 . 1 1 40 40 VAL C C 40 174.544 174.544 178.001 -3.457 18218 2904 1 6 . 1 1 40 40 VAL CA C 40 63.719 63.719 65.604 -1.885 18218 2905 1 6 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.595 -2.681 18218 2906 1 6 . 1 1 40 40 VAL H H 40 7.803 7.803 8.064 -0.261 18218 2907 1 6 . 1 1 41 41 VAL N N 41 119.131 119.131 120.497 -1.366 18218 2908 1 6 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.712 -0.020 18218 2909 1 6 . 1 1 41 41 VAL C C 41 175.924 175.924 178.071 -2.147 18218 2910 1 6 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.794 -3.335 18218 2911 1 6 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.488 -2.447 18218 2912 1 6 . 1 1 41 41 VAL H H 41 7.624 7.624 8.307 -0.683 18218 2913 1 6 . 1 1 42 42 ALA N N 42 122.172 122.172 121.510 0.662 18218 2914 1 6 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.840 0.265 18218 2915 1 6 . 1 1 42 42 ALA C C 42 176.582 176.582 179.249 -2.667 18218 2916 1 6 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.405 -3.140 18218 2917 1 6 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.882 -3.002 18218 2918 1 6 . 1 1 42 42 ALA H H 42 8.008 8.008 8.300 -0.292 18218 2919 1 6 . 1 1 43 43 ALA N N 43 119.990 119.990 121.711 -1.721 18218 2920 1 6 . 1 1 43 43 ALA HA H 43 3.991 3.991 3.952 0.039 18218 2921 1 6 . 1 1 43 43 ALA C C 43 176.455 176.455 179.582 -3.127 18218 2922 1 6 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.001 -2.708 18218 2923 1 6 . 1 1 43 43 ALA CB C 43 14.880 14.880 17.858 -2.978 18218 2924 1 6 . 1 1 43 43 ALA H H 43 8.400 8.400 7.703 0.697 18218 2925 1 6 . 1 1 44 44 TYR N N 44 118.221 118.221 118.185 0.036 18218 2926 1 6 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.050 0.169 18218 2927 1 6 . 1 1 44 44 TYR C C 44 175.177 175.177 178.187 -3.010 18218 2928 1 6 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.291 -3.010 18218 2929 1 6 . 1 1 44 44 TYR CB C 44 34.622 34.622 37.690 -3.068 18218 2930 1 6 . 1 1 44 44 TYR H H 44 8.345 8.345 7.995 0.350 18218 2931 1 6 . 1 1 45 45 ARG N N 45 119.104 119.104 120.152 -1.048 18218 2932 1 6 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.917 -0.084 18218 2933 1 6 . 1 1 45 45 ARG C C 45 176.531 176.531 178.671 -2.140 18218 2934 1 6 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.989 -3.558 18218 2935 1 6 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.088 -3.882 18218 2936 1 6 . 1 1 45 45 ARG H H 45 8.275 8.275 8.325 -0.050 18218 2937 1 6 . 1 1 46 46 ILE N N 46 119.719 119.719 119.745 -0.026 18218 2938 1 6 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.569 0.132 18218 2939 1 6 . 1 1 46 46 ILE C C 46 174.873 174.873 178.152 -3.279 18218 2940 1 6 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.781 -4.347 18218 2941 1 6 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.693 -3.831 18218 2942 1 6 . 1 1 46 46 ILE H H 46 8.119 8.119 8.472 -0.353 18218 2943 1 6 . 1 1 47 47 TYR N N 47 121.419 121.419 118.499 2.920 18218 2944 1 6 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.038 -0.056 18218 2945 1 6 . 1 1 47 47 TYR C C 47 175.544 175.544 177.758 -2.214 18218 2946 1 6 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.408 -2.809 18218 2947 1 6 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.059 -3.183 18218 2948 1 6 . 1 1 47 47 TYR H H 47 8.383 8.383 8.296 0.087 18218 2949 1 6 . 1 1 48 48 ARG N N 48 118.278 118.278 117.544 0.734 18218 2950 1 6 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.059 -0.367 18218 2951 1 6 . 1 1 48 48 ARG C C 48 175.671 175.671 177.968 -2.297 18218 2952 1 6 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.428 -3.473 18218 2953 1 6 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.564 -4.611 18218 2954 1 6 . 1 1 48 48 ARG H H 48 8.074 8.074 8.183 -0.109 18218 2955 1 6 . 1 1 49 49 LEU N N 49 120.350 120.350 118.711 1.639 18218 2956 1 6 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.094 0.054 18218 2957 1 6 . 1 1 49 49 LEU C C 49 175.772 175.772 177.771 -1.999 18218 2958 1 6 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.486 -3.978 18218 2959 1 6 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.435 -3.954 18218 2960 1 6 . 1 1 49 49 LEU H H 49 7.744 7.744 7.999 -0.255 18218 2961 1 6 . 1 1 50 50 ARG N N 50 117.990 117.990 118.408 -0.418 18218 2962 1 6 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.074 0.080 18218 2963 1 6 . 1 1 50 50 ARG C C 50 174.139 174.139 175.503 -1.364 18218 2964 1 6 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.344 -3.286 18218 2965 1 6 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.729 -4.523 18218 2966 1 6 . 1 1 50 50 ARG H H 50 7.686 7.686 8.017 -0.331 18218 2967 1 6 . 1 1 51 51 SER N N 51 115.124 115.124 115.410 -0.286 18218 2968 1 6 . 1 1 51 51 SER HA H 51 4.274 4.274 4.240 0.034 18218 2969 1 6 . 1 1 51 51 SER C C 51 172.392 172.392 174.999 -2.607 18218 2970 1 6 . 1 1 51 51 SER CA C 51 56.112 56.112 58.762 -2.650 18218 2971 1 6 . 1 1 51 51 SER CB C 51 60.075 60.075 63.439 -3.364 18218 2972 1 6 . 1 1 51 51 SER H H 51 7.873 7.873 8.512 -0.639 18218 2973 1 6 . 1 1 52 52 ARG N N 52 122.132 122.132 122.516 -0.384 18218 2974 1 6 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.061 0.215 18218 2975 1 6 . 1 1 52 52 ARG C C 52 174.316 174.316 178.041 -3.725 18218 2976 1 6 . 1 1 52 52 ARG CA C 52 53.422 53.422 57.890 -4.468 18218 2977 1 6 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.742 -4.410 18218 2978 1 6 . 1 1 52 52 ARG H H 52 7.923 7.923 8.462 -0.539 18218 2979 1 6 . 1 1 53 53 GLY N N 53 108.907 108.907 107.607 1.300 18218 2980 1 6 . 1 1 53 53 GLY C C 53 171.405 171.405 175.231 -3.826 18218 2981 1 6 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.261 -2.803 18218 2982 1 6 . 1 1 53 53 GLY H H 53 8.142 8.142 7.942 0.200 18218 2983 1 6 . 1 1 54 54 SER N N 54 115.609 115.609 115.542 0.067 18218 2984 1 6 . 1 1 54 54 SER HA H 54 4.470 4.470 4.149 0.321 18218 2985 1 6 . 1 1 54 54 SER C C 54 172.367 172.367 173.974 -1.607 18218 2986 1 6 . 1 1 54 54 SER CA C 54 55.504 55.504 60.539 -5.035 18218 2987 1 6 . 1 1 54 54 SER CB C 54 60.537 60.537 62.662 -2.125 18218 2988 1 6 . 1 1 54 54 SER H H 54 8.042 8.042 8.534 -0.492 18218 2989 1 6 . 1 1 55 55 THR N N 55 117.148 117.148 113.329 3.819 18218 2990 1 6 . 1 1 55 55 THR HA H 55 4.244 4.244 4.535 -0.291 18218 2991 1 6 . 1 1 55 55 THR C C 55 171.785 171.785 173.170 -1.385 18218 2992 1 6 . 1 1 55 55 THR CA C 55 59.612 59.612 62.215 -2.603 18218 2993 1 6 . 1 1 55 55 THR CB C 55 66.322 66.322 69.554 -3.232 18218 2994 1 6 . 1 1 55 55 THR H H 55 8.123 8.123 8.389 -0.266 18218 2995 1 6 . 1 1 56 56 LYS N N 56 123.462 123.462 122.723 0.739 18218 2996 1 6 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.403 -0.159 18218 2997 1 6 . 1 1 56 56 LYS C C 56 173.848 173.848 176.205 -2.357 18218 2998 1 6 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.878 -3.312 18218 2999 1 6 . 1 1 56 56 LYS CB C 56 29.117 29.117 34.349 -5.232 18218 3000 1 6 . 1 1 56 56 LYS H H 56 8.184 8.184 7.450 0.734 18218 3001 1 6 . 1 1 57 57 MET N N 57 121.145 121.145 120.002 1.143 18218 3002 1 6 . 1 1 57 57 MET HA H 57 4.425 4.425 3.954 0.471 18218 3003 1 6 . 1 1 57 57 MET C C 57 172.835 172.835 177.491 -4.656 18218 3004 1 6 . 1 1 57 57 MET CA C 57 52.930 52.930 58.646 -5.716 18218 3005 1 6 . 1 1 57 57 MET CB C 57 29.876 29.876 31.934 -2.058 18218 3006 1 6 . 1 1 57 57 MET H H 57 8.153 8.153 9.227 -1.074 18218 3007 1 6 . 1 1 58 58 SER N N 58 116.811 116.811 116.433 0.378 18218 3008 1 6 . 1 1 58 58 SER HA H 58 4.470 4.470 4.328 0.142 18218 3009 1 6 . 1 1 58 58 SER C C 58 171.620 171.620 175.392 -3.772 18218 3010 1 6 . 1 1 58 58 SER CA C 58 55.041 55.041 61.318 -6.277 18218 3011 1 6 . 1 1 58 58 SER CB C 58 60.653 60.653 63.497 -2.844 18218 3012 1 6 . 1 1 58 58 SER H H 58 7.895 7.895 8.249 -0.354 18218 3013 1 6 . 1 1 59 59 ILE N N 59 122.346 122.346 119.020 3.326 18218 3014 1 6 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.180 -0.190 18218 3015 1 6 . 1 1 59 59 ILE C C 59 173.127 173.127 174.724 -1.597 18218 3016 1 6 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.357 -2.815 18218 3017 1 6 . 1 1 59 59 ILE CB C 59 34.938 34.938 36.295 -1.357 18218 3018 1 6 . 1 1 59 59 ILE H H 59 8.110 8.110 8.070 0.040 18218 3019 1 6 . 1 1 60 60 HIS N N 60 121.006 121.006 120.828 0.178 18218 3020 1 6 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.539 -0.525 18218 3021 1 6 . 1 1 60 60 HIS C C 60 172.443 172.443 175.321 -2.878 18218 3022 1 6 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.975 -3.611 18218 3023 1 6 . 1 1 60 60 HIS CB C 60 25.510 25.510 31.298 -5.788 18218 3024 1 6 . 1 1 60 60 HIS H H 60 8.235 8.235 7.946 0.289 18218 3025 1 6 . 1 1 61 61 LEU N N 61 120.472 120.472 121.554 -1.082 18218 3026 1 6 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.099 0.090 18218 3027 1 6 . 1 1 61 61 LEU CA C 61 53.190 53.190 57.691 -4.501 18218 3028 1 6 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.602 -3.738 18218 3029 1 6 . 1 1 61 61 LEU H H 61 8.045 8.045 8.200 -0.155 18218 3030 1 6 . 1 1 62 62 ILE N N 62 117.281 117.281 112.229 5.052 18218 3031 1 6 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.764 0.133 18218 3032 1 6 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.110 -2.961 18218 3033 1 6 . 1 1 62 62 ILE CB C 62 34.432 34.432 37.205 -2.773 18218 3034 1 6 . 1 1 62 62 ILE H H 62 7.555 7.555 8.022 -0.467 18218 3035 1 6 . 1 1 63 63 HIS N N 63 119.488 119.488 121.884 -2.396 18218 3036 1 6 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.322 0.315 18218 3037 1 6 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.794 -4.356 18218 3038 1 6 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.387 -4.256 18218 3039 1 6 . 1 1 63 63 HIS H H 63 8.179 8.179 8.619 -0.440 18218 3040 1 6 . 1 1 64 64 THR N N 64 112.132 112.132 115.418 -3.286 18218 3041 1 6 . 1 1 64 64 THR HA H 64 4.296 4.296 3.946 0.350 18218 3042 1 6 . 1 1 64 64 THR C C 64 175.063 175.063 174.037 1.026 18218 3043 1 6 . 1 1 64 64 THR CA C 64 58.802 58.802 62.772 -3.970 18218 3044 1 6 . 1 1 64 64 THR CB C 64 67.588 67.588 68.463 -0.875 18218 3045 1 6 . 1 1 64 64 THR H H 64 7.576 7.576 8.329 -0.753 18218 3046 1 6 . 1 1 65 65 ARG N N 65 123.493 123.493 121.024 2.469 18218 3047 1 6 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.060 0.236 18218 3048 1 6 . 1 1 65 65 ARG C C 65 175.633 175.633 177.558 -1.925 18218 3049 1 6 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.642 -1.312 18218 3050 1 6 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.186 -4.043 18218 3051 1 6 . 1 1 65 65 ARG H H 65 8.713 8.713 8.231 0.482 18218 3052 1 6 . 1 1 66 66 VAL N N 66 117.974 117.974 125.443 -7.469 18218 3053 1 6 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.545 0.452 18218 3054 1 6 . 1 1 66 66 VAL C C 66 174.215 174.215 177.942 -3.727 18218 3055 1 6 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.292 -4.598 18218 3056 1 6 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.543 -3.502 18218 3057 1 6 . 1 1 66 66 VAL H H 66 7.987 7.987 8.768 -0.781 18218 3058 1 6 . 1 1 67 67 ALA N N 67 123.016 123.016 122.230 0.786 18218 3059 1 6 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.057 -0.057 18218 3060 1 6 . 1 1 67 67 ALA C C 67 175.367 175.367 179.449 -4.082 18218 3061 1 6 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.152 -3.032 18218 3062 1 6 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.995 -3.242 18218 3063 1 6 . 1 1 67 67 ALA H H 67 7.645 7.645 8.187 -0.542 18218 3064 1 6 . 1 1 68 68 ALA N N 68 120.682 120.682 122.214 -1.532 18218 3065 1 6 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.014 0.165 18218 3066 1 6 . 1 1 68 68 ALA C C 68 178.354 178.354 179.759 -1.405 18218 3067 1 6 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.946 -2.797 18218 3068 1 6 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.997 -3.244 18218 3069 1 6 . 1 1 68 68 ALA H H 68 7.931 7.931 8.068 -0.137 18218 3070 1 6 . 1 1 69 69 GLN N N 69 119.129 119.129 118.181 0.948 18218 3071 1 6 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.861 0.415 18218 3072 1 6 . 1 1 69 69 GLN C C 69 175.430 175.430 178.072 -2.642 18218 3073 1 6 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.484 -3.212 18218 3074 1 6 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.127 -2.997 18218 3075 1 6 . 1 1 69 69 GLN H H 69 8.213 8.213 8.454 -0.241 18218 3076 1 6 . 1 1 70 70 ALA N N 70 122.065 122.065 121.685 0.380 18218 3077 1 6 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.825 0.175 18218 3078 1 6 . 1 1 70 70 ALA C C 70 176.734 176.734 179.035 -2.301 18218 3079 1 6 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.441 -2.292 18218 3080 1 6 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.905 -3.152 18218 3081 1 6 . 1 1 70 70 ALA H H 70 8.397 8.397 8.023 0.374 18218 3082 1 6 . 1 1 71 71 CYS N N 71 115.893 115.893 117.924 -2.031 18218 3083 1 6 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.018 0.035 18218 3084 1 6 . 1 1 71 71 CYS C C 71 173.696 173.696 176.691 -2.995 18218 3085 1 6 . 1 1 71 71 CYS CA C 71 60.451 60.451 64.268 -3.817 18218 3086 1 6 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.520 -4.035 18218 3087 1 6 . 1 1 71 71 CYS H H 71 8.169 8.169 7.998 0.171 18218 3088 1 6 . 1 1 72 72 ALA N N 72 122.868 122.868 122.902 -0.034 18218 3089 1 6 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.975 0.285 18218 3090 1 6 . 1 1 72 72 ALA C C 72 177.886 177.886 179.247 -1.361 18218 3091 1 6 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.395 -3.362 18218 3092 1 6 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.810 -3.057 18218 3093 1 6 . 1 1 72 72 ALA H H 72 7.742 7.742 8.077 -0.335 18218 3094 1 6 . 1 1 73 73 VAL N N 73 118.066 118.066 118.581 -0.515 18218 3095 1 6 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.462 0.314 18218 3096 1 6 . 1 1 73 73 VAL C C 73 175.696 175.696 178.184 -2.488 18218 3097 1 6 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.584 -3.935 18218 3098 1 6 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.284 -3.180 18218 3099 1 6 . 1 1 73 73 VAL H H 73 8.050 8.050 8.166 -0.116 18218 3100 1 6 . 1 1 74 74 GLY N N 74 109.146 109.146 106.942 2.204 18218 3101 1 6 . 1 1 74 74 GLY C C 74 171.962 171.962 175.602 -3.640 18218 3102 1 6 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.413 -2.843 18218 3103 1 6 . 1 1 74 74 GLY H H 74 8.648 8.648 7.838 0.810 18218 3104 1 6 . 1 1 75 75 ALA N N 75 123.035 123.035 124.887 -1.852 18218 3105 1 6 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.922 0.167 18218 3106 1 6 . 1 1 75 75 ALA C C 75 178.253 178.253 179.830 -1.577 18218 3107 1 6 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.965 -2.527 18218 3108 1 6 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.310 -3.620 18218 3109 1 6 . 1 1 75 75 ALA H H 75 8.213 8.213 8.106 0.107 18218 3110 1 6 . 1 1 76 76 ILE N N 76 120.121 120.121 118.836 1.285 18218 3111 1 6 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.473 0.356 18218 3112 1 6 . 1 1 76 76 ILE C C 76 176.506 176.506 178.208 -1.702 18218 3113 1 6 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.698 -4.380 18218 3114 1 6 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.823 -3.455 18218 3115 1 6 . 1 1 76 76 ILE H H 76 7.523 7.523 7.970 -0.447 18218 3116 1 6 . 1 1 77 77 MET N N 77 120.468 120.468 118.809 1.659 18218 3117 1 6 . 1 1 77 77 MET HA H 77 4.116 4.116 3.936 0.180 18218 3118 1 6 . 1 1 77 77 MET C C 77 175.038 175.038 178.323 -3.285 18218 3119 1 6 . 1 1 77 77 MET CA C 77 56.314 56.314 59.283 -2.969 18218 3120 1 6 . 1 1 77 77 MET CB C 77 34.242 34.242 32.303 1.939 18218 3121 1 6 . 1 1 77 77 MET H H 77 8.239 8.239 8.118 0.121 18218 3122 1 6 . 1 1 78 78 LEU N N 78 119.389 119.389 118.651 0.738 18218 3123 1 6 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.712 0.252 18218 3124 1 6 . 1 1 78 78 LEU C C 78 176.202 176.202 179.051 -2.849 18218 3125 1 6 . 1 1 78 78 LEU CA C 78 54.868 54.868 59.111 -4.243 18218 3126 1 6 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.421 -3.636 18218 3127 1 6 . 1 1 78 78 LEU H H 78 8.571 8.571 8.517 0.054 18218 3128 1 6 . 1 1 79 79 GLY N N 79 105.857 105.857 106.296 -0.439 18218 3129 1 6 . 1 1 79 79 GLY C C 79 173.861 173.861 175.423 -1.562 18218 3130 1 6 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.193 -2.941 18218 3131 1 6 . 1 1 79 79 GLY H H 79 8.006 8.006 8.329 -0.323 18218 3132 1 6 . 1 1 80 80 ALA N N 80 125.631 125.631 125.078 0.553 18218 3133 1 6 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.006 0.289 18218 3134 1 6 . 1 1 80 80 ALA C C 80 177.544 177.544 179.863 -2.319 18218 3135 1 6 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.161 -3.157 18218 3136 1 6 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.081 -3.392 18218 3137 1 6 . 1 1 80 80 ALA H H 80 7.971 7.971 8.046 -0.075 18218 3138 1 6 . 1 1 81 81 VAL N N 81 118.858 118.858 119.192 -0.334 18218 3139 1 6 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.483 0.257 18218 3140 1 6 . 1 1 81 81 VAL C C 81 174.974 174.974 178.237 -3.263 18218 3141 1 6 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.339 -4.025 18218 3142 1 6 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.067 -3.279 18218 3143 1 6 . 1 1 81 81 VAL H H 81 8.206 8.206 8.327 -0.121 18218 3144 1 6 . 1 1 82 82 TYR N N 82 121.151 121.151 118.841 2.310 18218 3145 1 6 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.009 0.268 18218 3146 1 6 . 1 1 82 82 TYR C C 82 176.038 176.038 178.671 -2.633 18218 3147 1 6 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.719 -2.917 18218 3148 1 6 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.540 -3.108 18218 3149 1 6 . 1 1 82 82 TYR H H 82 8.614 8.614 8.614 0.000 18218 3150 1 6 . 1 1 83 83 THR N N 83 118.253 118.253 115.029 3.224 18218 3151 1 6 . 1 1 83 83 THR HA H 83 4.340 4.340 3.923 0.417 18218 3152 1 6 . 1 1 83 83 THR CA C 83 63.980 63.980 66.317 -2.337 18218 3153 1 6 . 1 1 83 83 THR CB C 83 65.437 65.437 68.521 -3.084 18218 3154 1 6 . 1 1 83 83 THR H H 83 8.361 8.361 8.325 0.036 18218 3155 1 6 . 1 1 84 84 MET N N 84 121.616 121.616 120.639 0.977 18218 3156 1 6 . 1 1 84 84 MET C C 84 175.949 175.949 178.326 -2.377 18218 3157 1 6 . 1 1 84 84 MET CA C 84 56.603 56.603 59.125 -2.522 18218 3158 1 6 . 1 1 84 84 MET CB C 84 29.180 29.180 31.789 -2.609 18218 3159 1 6 . 1 1 84 84 MET H H 84 8.053 8.053 8.178 -0.125 18218 3160 1 6 . 1 1 85 85 TYR N N 85 120.690 120.690 119.701 0.989 18218 3161 1 6 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.994 0.175 18218 3162 1 6 . 1 1 85 85 TYR C C 85 173.709 173.709 178.960 -5.251 18218 3163 1 6 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.919 -3.435 18218 3164 1 6 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.158 -3.220 18218 3165 1 6 . 1 1 85 85 TYR H H 85 8.543 8.543 8.595 -0.052 18218 3166 1 6 . 1 1 86 86 SER N N 86 115.536 115.536 113.601 1.935 18218 3167 1 6 . 1 1 86 86 SER HA H 86 3.802 3.802 4.159 -0.357 18218 3168 1 6 . 1 1 86 86 SER C C 86 174.709 174.709 177.247 -2.538 18218 3169 1 6 . 1 1 86 86 SER CA C 86 58.542 58.542 62.078 -3.536 18218 3170 1 6 . 1 1 86 86 SER CB C 86 59.243 59.243 63.088 -3.845 18218 3171 1 6 . 1 1 86 86 SER H H 86 8.422 8.422 8.654 -0.232 18218 3172 1 6 . 1 1 87 87 ASP N N 87 121.132 121.132 122.886 -1.754 18218 3173 1 6 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.371 -0.022 18218 3174 1 6 . 1 1 87 87 ASP C C 87 175.177 175.177 177.812 -2.635 18218 3175 1 6 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.177 -3.408 18218 3176 1 6 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.735 -4.405 18218 3177 1 6 . 1 1 87 87 ASP H H 87 8.295 8.295 8.253 0.042 18218 3178 1 6 . 1 1 88 88 TYR N N 88 122.430 122.430 119.108 3.322 18218 3179 1 6 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.067 0.049 18218 3180 1 6 . 1 1 88 88 TYR C C 88 174.772 174.772 176.426 -1.654 18218 3181 1 6 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.031 -1.489 18218 3182 1 6 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.515 -3.387 18218 3183 1 6 . 1 1 88 88 TYR H H 88 7.919 7.919 7.821 0.098 18218 3184 1 6 . 1 1 89 89 VAL N N 89 118.321 118.321 118.523 -0.202 18218 3185 1 6 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.826 -0.400 18218 3186 1 6 . 1 1 89 89 VAL C C 89 176.101 176.101 176.729 -0.628 18218 3187 1 6 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.179 -0.385 18218 3188 1 6 . 1 1 89 89 VAL CB C 89 27.851 27.851 33.211 -5.360 18218 3189 1 6 . 1 1 89 89 VAL H H 89 8.121 8.121 7.568 0.553 18218 3190 1 6 . 1 1 90 90 LYS N N 90 120.272 120.272 124.996 -4.724 18218 3191 1 6 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.981 0.028 18218 3192 1 6 . 1 1 90 90 LYS C C 90 176.126 176.126 176.285 -0.159 18218 3193 1 6 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.314 -2.463 18218 3194 1 6 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.448 -3.838 18218 3195 1 6 . 1 1 90 90 LYS H H 90 7.708 7.708 8.565 -0.857 18218 3196 1 6 . 1 1 91 91 ARG N N 91 119.904 119.904 117.675 2.229 18218 3197 1 6 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.274 -0.246 18218 3198 1 6 . 1 1 91 91 ARG C C 91 175.544 175.544 174.142 1.402 18218 3199 1 6 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.942 -0.756 18218 3200 1 6 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.327 -5.058 18218 3201 1 6 . 1 1 91 91 ARG H H 91 7.685 7.685 7.875 -0.190 18218 3202 1 6 . 1 1 92 92 MET N N 92 118.654 118.654 123.984 -5.330 18218 3203 1 6 . 1 1 92 92 MET HA H 92 4.248 4.248 4.679 -0.431 18218 3204 1 6 . 1 1 92 92 MET C C 92 174.810 174.810 174.835 -0.025 18218 3205 1 6 . 1 1 92 92 MET CA C 92 53.508 53.508 54.821 -1.313 18218 3206 1 6 . 1 1 92 92 MET CB C 92 26.016 26.016 34.037 -8.021 18218 3207 1 6 . 1 1 92 92 MET H H 92 7.790 7.790 8.494 -0.704 18218 3208 1 6 . 1 1 93 93 ALA N N 93 122.890 122.890 127.367 -4.477 18218 3209 1 6 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.665 -0.454 18218 3210 1 6 . 1 1 93 93 ALA C C 93 175.633 175.633 176.342 -0.709 18218 3211 1 6 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.436 -2.514 18218 3212 1 6 . 1 1 93 93 ALA CB C 93 15.259 15.259 20.601 -5.342 18218 3213 1 6 . 1 1 93 93 ALA H H 93 7.648 7.648 8.296 -0.648 18218 3214 1 6 . 1 1 94 94 GLN N N 94 119.315 119.315 121.174 -1.859 18218 3215 1 6 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.321 -0.122 18218 3216 1 6 . 1 1 94 94 GLN C C 94 173.676 173.676 174.084 -0.408 18218 3217 1 6 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.507 -3.143 18218 3218 1 6 . 1 1 94 94 GLN CB C 94 25.890 25.890 29.953 -4.063 18218 3219 1 6 . 1 1 94 94 GLN H H 94 7.887 7.887 8.414 -0.527 18218 3220 1 6 . 1 1 95 95 ASP N N 95 121.546 121.546 119.976 1.570 18218 3221 1 6 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.684 -0.124 18218 3222 1 6 . 1 1 95 95 ASP CA C 95 51.484 51.484 55.765 -4.281 18218 3223 1 6 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.602 -2.880 18218 3224 1 6 . 1 1 95 95 ASP H H 95 8.199 8.199 8.456 -0.257 18218 3225 1 6 . 1 1 96 96 ALA N N 96 125.033 125.033 123.734 1.299 18218 3226 1 6 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.451 -0.196 18218 3227 1 6 . 1 1 96 96 ALA C C 96 175.645 175.645 178.213 -2.568 18218 3228 1 6 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.977 -3.200 18218 3229 1 6 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.444 -3.868 18218 3230 1 6 . 1 1 96 96 ALA H H 96 8.062 8.062 8.369 -0.307 18218 3231 1 6 . 1 1 97 97 GLY N N 97 108.048 108.048 106.994 1.054 18218 3232 1 6 . 1 1 97 97 GLY C C 97 171.418 171.418 173.431 -2.013 18218 3233 1 6 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.574 -2.433 18218 3234 1 6 . 1 1 97 97 GLY H H 97 8.196 8.196 7.991 0.205 18218 3235 1 6 . 1 1 98 98 GLU N N 98 121.445 121.445 122.080 -0.635 18218 3236 1 6 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.529 -0.264 18218 3237 1 6 . 1 1 98 98 GLU C C 98 172.987 172.987 176.163 -3.176 18218 3238 1 6 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.939 -2.662 18218 3239 1 6 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.659 -4.263 18218 3240 1 6 . 1 1 98 98 GLU H H 98 8.086 8.086 8.569 -0.483 18218 3241 1 7 . 1 1 2 2 SER N N 2 116.234 116.234 118.418 -2.184 18218 3242 1 7 . 1 1 2 2 SER HA H 2 4.828 4.828 4.552 0.276 18218 3243 1 7 . 1 1 2 2 SER C C 2 171.696 171.696 174.235 -2.539 18218 3244 1 7 . 1 1 2 2 SER CA C 2 55.273 55.273 58.305 -3.032 18218 3245 1 7 . 1 1 2 2 SER CB C 2 60.624 60.624 63.928 -3.304 18218 3246 1 7 . 1 1 2 2 SER H H 2 7.958 7.958 8.639 -0.681 18218 3247 1 7 . 1 1 3 3 ALA N N 3 125.895 125.895 130.179 -4.284 18218 3248 1 7 . 1 1 3 3 ALA C C 3 174.633 174.633 176.281 -1.648 18218 3249 1 7 . 1 1 3 3 ALA CA C 3 49.719 49.719 51.841 -2.122 18218 3250 1 7 . 1 1 3 3 ALA CB C 3 15.512 15.512 17.975 -2.463 18218 3251 1 7 . 1 1 3 3 ALA H H 3 8.273 8.273 8.505 -0.232 18218 3252 1 7 . 1 1 4 4 ASN N N 4 118.166 118.166 119.132 -0.966 18218 3253 1 7 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.639 -0.039 18218 3254 1 7 . 1 1 4 4 ASN C C 4 172.089 172.089 173.317 -1.228 18218 3255 1 7 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.741 -3.472 18218 3256 1 7 . 1 1 4 4 ASN CB C 4 35.571 35.571 40.583 -5.012 18218 3257 1 7 . 1 1 4 4 ASN H H 4 8.307 8.307 7.796 0.511 18218 3258 1 7 . 1 1 5 5 ARG N N 5 121.553 121.553 122.636 -1.083 18218 3259 1 7 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.401 -0.232 18218 3260 1 7 . 1 1 5 5 ARG C C 5 173.013 173.013 175.162 -2.149 18218 3261 1 7 . 1 1 5 5 ARG CA C 5 52.814 52.814 55.551 -2.737 18218 3262 1 7 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.622 -4.404 18218 3263 1 7 . 1 1 5 5 ARG H H 5 8.058 8.058 8.414 -0.356 18218 3264 1 7 . 1 1 6 6 ARG N N 6 122.689 122.689 123.061 -0.372 18218 3265 1 7 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.005 -0.064 18218 3266 1 7 . 1 1 6 6 ARG C C 6 173.392 173.392 175.489 -2.097 18218 3267 1 7 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.351 -4.086 18218 3268 1 7 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.173 -4.967 18218 3269 1 7 . 1 1 6 6 ARG H H 6 8.122 8.122 8.199 -0.077 18218 3270 1 7 . 1 1 7 7 TRP N N 7 120.901 120.901 121.888 -0.987 18218 3271 1 7 . 1 1 7 7 TRP HA H 7 4.418 4.418 5.060 -0.642 18218 3272 1 7 . 1 1 7 7 TRP C C 7 172.557 172.557 175.923 -3.366 18218 3273 1 7 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.818 -2.297 18218 3274 1 7 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.320 -4.241 18218 3275 1 7 . 1 1 7 7 TRP H H 7 7.585 7.585 8.420 -0.835 18218 3276 1 7 . 1 1 8 8 TRP N N 8 118.192 118.192 125.724 -7.532 18218 3277 1 7 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.979 -0.528 18218 3278 1 7 . 1 1 8 8 TRP C C 8 171.456 171.456 175.815 -4.359 18218 3279 1 7 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.726 -2.784 18218 3280 1 7 . 1 1 8 8 TRP CB C 8 25.510 25.510 31.401 -5.891 18218 3281 1 7 . 1 1 8 8 TRP H H 8 6.811 6.811 8.323 -1.512 18218 3282 1 7 . 1 1 9 9 VAL N N 9 122.005 122.005 122.124 -0.119 18218 3283 1 7 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.645 -0.493 18218 3284 1 7 . 1 1 9 9 VAL C C 9 170.671 170.671 173.962 -3.291 18218 3285 1 7 . 1 1 9 9 VAL CA C 9 56.083 56.083 59.498 -3.415 18218 3286 1 7 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.231 -3.051 18218 3287 1 7 . 1 1 9 9 VAL H H 9 6.949 6.949 8.179 -1.230 18218 3288 1 7 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.971 -2.639 18218 3289 1 7 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.880 -3.497 18218 3290 1 7 . 1 1 12 12 ASP N N 12 119.443 119.443 118.807 0.636 18218 3291 1 7 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.637 -0.113 18218 3292 1 7 . 1 1 12 12 ASP C C 12 174.215 174.215 174.725 -0.510 18218 3293 1 7 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.529 -3.103 18218 3294 1 7 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.123 -3.844 18218 3295 1 7 . 1 1 12 12 ASP H H 12 8.241 8.241 8.324 -0.083 18218 3296 1 7 . 1 1 13 13 ASP N N 13 119.369 119.369 119.445 -0.076 18218 3297 1 7 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.659 -0.079 18218 3298 1 7 . 1 1 13 13 ASP C C 13 175.379 175.379 174.948 0.431 18218 3299 1 7 . 1 1 13 13 ASP CA C 13 51.107 51.107 53.816 -2.709 18218 3300 1 7 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.504 -5.162 18218 3301 1 7 . 1 1 13 13 ASP H H 13 7.980 7.980 8.119 -0.139 18218 3302 1 7 . 1 1 14 14 GLU N N 14 121.036 121.036 120.344 0.692 18218 3303 1 7 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.052 0.108 18218 3304 1 7 . 1 1 14 14 GLU C C 14 173.633 173.633 175.781 -2.148 18218 3305 1 7 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.182 -3.066 18218 3306 1 7 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.081 -2.875 18218 3307 1 7 . 1 1 14 14 GLU H H 14 8.197 8.197 8.427 -0.230 18218 3308 1 7 . 1 1 15 15 ASP N N 15 120.130 120.130 124.023 -3.893 18218 3309 1 7 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.818 -0.176 18218 3310 1 7 . 1 1 15 15 ASP C C 15 173.595 173.595 175.683 -2.088 18218 3311 1 7 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.124 -2.669 18218 3312 1 7 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.706 -3.237 18218 3313 1 7 . 1 1 15 15 ASP H H 15 8.308 8.308 8.267 0.041 18218 3314 1 7 . 1 1 16 16 CYS N N 16 118.700 118.700 123.352 -4.652 18218 3315 1 7 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.730 -0.279 18218 3316 1 7 . 1 1 16 16 CYS CA C 16 55.736 55.736 58.844 -3.108 18218 3317 1 7 . 1 1 16 16 CYS CB C 16 24.687 24.687 30.176 -5.489 18218 3318 1 7 . 1 1 16 16 CYS H H 16 7.968 7.968 8.501 -0.533 18218 3319 1 7 . 1 1 17 17 VAL N N 17 123.275 123.275 114.611 8.664 18218 3320 1 7 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.227 -0.499 18218 3321 1 7 . 1 1 17 17 VAL C C 17 174.430 174.430 175.115 -0.685 18218 3322 1 7 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.569 -0.065 18218 3323 1 7 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.889 -4.657 18218 3324 1 7 . 1 1 17 17 VAL H H 17 8.550 8.550 8.140 0.410 18218 3325 1 7 . 1 1 18 18 SER N N 18 116.499 116.499 115.599 0.900 18218 3326 1 7 . 1 1 18 18 SER HA H 18 3.822 3.822 4.127 -0.305 18218 3327 1 7 . 1 1 18 18 SER CA C 18 58.484 58.484 59.483 -0.999 18218 3328 1 7 . 1 1 18 18 SER CB C 18 59.109 59.109 63.884 -4.775 18218 3329 1 7 . 1 1 18 18 SER H H 18 8.447 8.447 8.201 0.246 18218 3330 1 7 . 1 1 19 19 GLU N N 19 121.940 121.940 122.072 -0.132 18218 3331 1 7 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.989 0.021 18218 3332 1 7 . 1 1 19 19 GLU C C 19 175.544 175.544 178.488 -2.944 18218 3333 1 7 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.848 -4.228 18218 3334 1 7 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.572 -4.125 18218 3335 1 7 . 1 1 19 19 GLU H H 19 7.686 7.686 8.784 -1.098 18218 3336 1 7 . 1 1 20 20 LYS N N 20 119.855 119.855 119.893 -0.038 18218 3337 1 7 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.071 -0.151 18218 3338 1 7 . 1 1 20 20 LYS C C 20 173.696 173.696 179.105 -5.409 18218 3339 1 7 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.395 -3.341 18218 3340 1 7 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.126 -3.199 18218 3341 1 7 . 1 1 20 20 LYS H H 20 7.898 7.898 8.019 -0.121 18218 3342 1 7 . 1 1 21 21 LEU N N 21 119.542 119.542 120.525 -0.983 18218 3343 1 7 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.119 -0.078 18218 3344 1 7 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.617 -3.270 18218 3345 1 7 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.171 -2.753 18218 3346 1 7 . 1 1 21 21 LEU H H 21 8.056 8.056 8.235 -0.179 18218 3347 1 7 . 1 1 22 22 LEU N N 22 120.384 120.384 120.624 -0.240 18218 3348 1 7 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.933 0.117 18218 3349 1 7 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.098 -3.751 18218 3350 1 7 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.037 -3.125 18218 3351 1 7 . 1 1 22 22 LEU H H 22 8.097 8.097 8.597 -0.500 18218 3352 1 7 . 1 1 23 23 ARG N N 23 119.486 119.486 117.867 1.619 18218 3353 1 7 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.012 -0.017 18218 3354 1 7 . 1 1 23 23 ARG C C 23 175.443 175.443 178.315 -2.872 18218 3355 1 7 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.596 -2.774 18218 3356 1 7 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.434 -4.102 18218 3357 1 7 . 1 1 23 23 ARG H H 23 8.032 8.032 8.154 -0.122 18218 3358 1 7 . 1 1 24 24 LYS N N 24 119.009 119.009 117.954 1.055 18218 3359 1 7 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.009 0.131 18218 3360 1 7 . 1 1 24 24 LYS C C 24 175.633 175.633 177.408 -1.775 18218 3361 1 7 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.770 -4.048 18218 3362 1 7 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.588 -3.978 18218 3363 1 7 . 1 1 24 24 LYS H H 24 7.860 7.860 8.177 -0.317 18218 3364 1 7 . 1 1 25 25 THR N N 25 112.776 112.776 114.729 -1.953 18218 3365 1 7 . 1 1 25 25 THR HA H 25 4.005 4.005 4.049 -0.044 18218 3366 1 7 . 1 1 25 25 THR C C 25 172.646 172.646 174.786 -2.140 18218 3367 1 7 . 1 1 25 25 THR CA C 25 61.810 61.810 63.216 -1.406 18218 3368 1 7 . 1 1 25 25 THR CB C 25 65.753 65.753 68.492 -2.739 18218 3369 1 7 . 1 1 25 25 THR H H 25 7.867 7.867 7.985 -0.118 18218 3370 1 7 . 1 1 26 26 ARG N N 26 119.996 119.996 125.365 -5.369 18218 3371 1 7 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.173 -0.026 18218 3372 1 7 . 1 1 26 26 ARG C C 26 174.278 174.278 176.740 -2.462 18218 3373 1 7 . 1 1 26 26 ARG CA C 26 54.347 54.347 57.068 -2.720 18218 3374 1 7 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.764 -3.736 18218 3375 1 7 . 1 1 26 26 ARG H H 26 7.765 7.765 8.216 -0.451 18218 3376 1 7 . 1 1 27 27 GLU N N 27 118.067 118.067 118.918 -0.851 18218 3377 1 7 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.523 -0.236 18218 3378 1 7 . 1 1 27 27 GLU C C 27 173.582 173.582 175.394 -1.812 18218 3379 1 7 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.384 -3.020 18218 3380 1 7 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.654 -3.448 18218 3381 1 7 . 1 1 27 27 GLU H H 27 7.764 7.764 8.546 -0.782 18218 3382 1 7 . 1 1 28 28 SER N N 28 115.900 115.900 115.242 0.658 18218 3383 1 7 . 1 1 28 28 SER HA H 28 4.740 4.740 5.088 -0.348 18218 3384 1 7 . 1 1 28 28 SER C C 28 170.481 170.481 172.548 -2.067 18218 3385 1 7 . 1 1 28 28 SER CA C 28 53.132 53.132 56.129 -2.997 18218 3386 1 7 . 1 1 28 28 SER CB C 28 60.624 60.624 64.540 -3.916 18218 3387 1 7 . 1 1 28 28 SER H H 28 7.630 7.630 7.951 -0.321 18218 3388 1 7 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.610 -0.074 18218 3389 1 7 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.211 -1.920 18218 3390 1 7 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.447 -3.000 18218 3391 1 7 . 1 1 30 30 LEU N N 30 120.365 120.365 119.123 1.242 18218 3392 1 7 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.546 -0.337 18218 3393 1 7 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.787 -4.031 18218 3394 1 7 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.195 -2.271 18218 3395 1 7 . 1 1 30 30 LEU H H 30 8.034 8.034 8.405 -0.371 18218 3396 1 7 . 1 1 31 31 VAL N N 31 117.988 117.988 122.655 -4.667 18218 3397 1 7 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.823 0.410 18218 3398 1 7 . 1 1 31 31 VAL C C 31 171.899 171.899 175.759 -3.860 18218 3399 1 7 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.297 -10.710 18218 3400 1 7 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.264 -0.554 18218 3401 1 7 . 1 1 31 31 VAL H H 31 7.499 7.499 8.456 -0.957 18218 3402 1 7 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.327 0.210 18218 3403 1 7 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.725 -5.630 18218 3404 1 7 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.145 -3.395 18218 3405 1 7 . 1 1 33 33 ILE N N 33 121.507 121.507 118.854 2.653 18218 3406 1 7 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.684 0.235 18218 3407 1 7 . 1 1 33 33 ILE C C 33 173.025 173.025 178.503 -5.478 18218 3408 1 7 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.126 -4.254 18218 3409 1 7 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.924 -2.429 18218 3410 1 7 . 1 1 33 33 ILE H H 33 7.982 7.982 7.802 0.180 18218 3411 1 7 . 1 1 34 34 GLY N N 34 111.381 111.381 107.073 4.308 18218 3412 1 7 . 1 1 34 34 GLY C C 34 172.987 172.987 176.009 -3.022 18218 3413 1 7 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.747 -3.739 18218 3414 1 7 . 1 1 34 34 GLY H H 34 8.540 8.540 8.633 -0.093 18218 3415 1 7 . 1 1 35 35 LEU N N 35 122.626 122.626 123.705 -1.079 18218 3416 1 7 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.971 0.278 18218 3417 1 7 . 1 1 35 35 LEU C C 35 175.637 175.637 178.928 -3.291 18218 3418 1 7 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.899 -3.667 18218 3419 1 7 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.774 -3.166 18218 3420 1 7 . 1 1 35 35 LEU H H 35 7.964 7.964 7.741 0.223 18218 3421 1 7 . 1 1 36 36 GLY N N 36 106.708 106.708 106.280 0.428 18218 3422 1 7 . 1 1 36 36 GLY C C 36 172.647 172.647 176.129 -3.482 18218 3423 1 7 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.303 -2.877 18218 3424 1 7 . 1 1 36 36 GLY H H 36 8.521 8.521 8.693 -0.172 18218 3425 1 7 . 1 1 37 37 GLY N N 37 108.586 108.586 108.694 -0.108 18218 3426 1 7 . 1 1 37 37 GLY C C 37 173.291 173.291 176.080 -2.789 18218 3427 1 7 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.798 -2.662 18218 3428 1 7 . 1 1 37 37 GLY H H 37 8.270 8.270 8.356 -0.086 18218 3429 1 7 . 1 1 38 38 CYS N N 38 119.678 119.678 120.606 -0.928 18218 3430 1 7 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.290 -0.046 18218 3431 1 7 . 1 1 38 38 CYS C C 38 174.215 174.215 176.555 -2.340 18218 3432 1 7 . 1 1 38 38 CYS CA C 38 59.236 59.236 63.091 -3.855 18218 3433 1 7 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.768 -4.409 18218 3434 1 7 . 1 1 38 38 CYS H H 38 7.836 7.836 7.976 -0.140 18218 3435 1 7 . 1 1 39 39 LEU N N 39 120.798 120.798 121.699 -0.901 18218 3436 1 7 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.067 0.046 18218 3437 1 7 . 1 1 39 39 LEU C C 39 175.506 175.506 179.089 -3.583 18218 3438 1 7 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.075 -3.208 18218 3439 1 7 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.256 -3.407 18218 3440 1 7 . 1 1 39 39 LEU H H 39 7.999 7.999 8.147 -0.148 18218 3441 1 7 . 1 1 40 40 VAL N N 40 118.510 118.510 119.602 -1.092 18218 3442 1 7 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.716 -0.120 18218 3443 1 7 . 1 1 40 40 VAL C C 40 174.544 174.544 177.825 -3.281 18218 3444 1 7 . 1 1 40 40 VAL CA C 40 63.719 63.719 67.329 -3.610 18218 3445 1 7 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.578 -3.664 18218 3446 1 7 . 1 1 40 40 VAL H H 40 7.803 7.803 8.128 -0.325 18218 3447 1 7 . 1 1 41 41 VAL N N 41 119.131 119.131 120.090 -0.959 18218 3448 1 7 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.544 0.148 18218 3449 1 7 . 1 1 41 41 VAL C C 41 175.924 175.924 177.602 -1.678 18218 3450 1 7 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.428 -2.969 18218 3451 1 7 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.610 -3.569 18218 3452 1 7 . 1 1 41 41 VAL H H 41 7.624 7.624 8.037 -0.413 18218 3453 1 7 . 1 1 42 42 ALA N N 42 122.172 122.172 120.898 1.274 18218 3454 1 7 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.936 0.169 18218 3455 1 7 . 1 1 42 42 ALA C C 42 176.582 176.582 179.085 -2.503 18218 3456 1 7 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.485 -3.220 18218 3457 1 7 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.842 -2.962 18218 3458 1 7 . 1 1 42 42 ALA H H 42 8.008 8.008 8.477 -0.469 18218 3459 1 7 . 1 1 43 43 ALA N N 43 119.990 119.990 122.066 -2.076 18218 3460 1 7 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.041 -0.050 18218 3461 1 7 . 1 1 43 43 ALA C C 43 176.455 176.455 179.672 -3.217 18218 3462 1 7 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.082 -2.789 18218 3463 1 7 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.110 -3.229 18218 3464 1 7 . 1 1 43 43 ALA H H 43 8.400 8.400 7.748 0.652 18218 3465 1 7 . 1 1 44 44 TYR N N 44 118.221 118.221 119.546 -1.325 18218 3466 1 7 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.232 -0.013 18218 3467 1 7 . 1 1 44 44 TYR C C 44 175.177 175.177 178.181 -3.004 18218 3468 1 7 . 1 1 44 44 TYR CA C 44 58.281 58.281 60.674 -2.393 18218 3469 1 7 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.271 -3.649 18218 3470 1 7 . 1 1 44 44 TYR H H 44 8.345 8.345 8.723 -0.378 18218 3471 1 7 . 1 1 45 45 ARG N N 45 119.104 119.104 119.937 -0.833 18218 3472 1 7 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.974 -0.141 18218 3473 1 7 . 1 1 45 45 ARG C C 45 176.531 176.531 178.812 -2.281 18218 3474 1 7 . 1 1 45 45 ARG CA C 45 56.430 56.430 60.371 -3.941 18218 3475 1 7 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.161 -3.955 18218 3476 1 7 . 1 1 45 45 ARG H H 45 8.275 8.275 8.392 -0.117 18218 3477 1 7 . 1 1 46 46 ILE N N 46 119.719 119.719 120.272 -0.553 18218 3478 1 7 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.599 0.102 18218 3479 1 7 . 1 1 46 46 ILE C C 46 174.873 174.873 177.888 -3.015 18218 3480 1 7 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.901 -4.467 18218 3481 1 7 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.723 -3.861 18218 3482 1 7 . 1 1 46 46 ILE H H 46 8.119 8.119 8.472 -0.353 18218 3483 1 7 . 1 1 47 47 TYR N N 47 121.419 121.419 119.340 2.079 18218 3484 1 7 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.057 -0.075 18218 3485 1 7 . 1 1 47 47 TYR C C 47 175.544 175.544 178.108 -2.564 18218 3486 1 7 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.963 -3.364 18218 3487 1 7 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.124 -3.249 18218 3488 1 7 . 1 1 47 47 TYR H H 47 8.383 8.383 8.100 0.283 18218 3489 1 7 . 1 1 48 48 ARG N N 48 118.278 118.278 117.976 0.302 18218 3490 1 7 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.166 -0.474 18218 3491 1 7 . 1 1 48 48 ARG C C 48 175.671 175.671 178.048 -2.377 18218 3492 1 7 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.910 -3.955 18218 3493 1 7 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.358 -4.405 18218 3494 1 7 . 1 1 48 48 ARG H H 48 8.074 8.074 7.964 0.110 18218 3495 1 7 . 1 1 49 49 LEU N N 49 120.350 120.350 118.941 1.409 18218 3496 1 7 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.034 0.114 18218 3497 1 7 . 1 1 49 49 LEU C C 49 175.772 175.772 177.874 -2.102 18218 3498 1 7 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.665 -4.157 18218 3499 1 7 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.976 -3.495 18218 3500 1 7 . 1 1 49 49 LEU H H 49 7.744 7.744 8.213 -0.469 18218 3501 1 7 . 1 1 50 50 ARG N N 50 117.990 117.990 117.464 0.526 18218 3502 1 7 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.094 0.060 18218 3503 1 7 . 1 1 50 50 ARG C C 50 174.139 174.139 175.252 -1.113 18218 3504 1 7 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.630 -3.572 18218 3505 1 7 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.768 -4.562 18218 3506 1 7 . 1 1 50 50 ARG H H 50 7.686 7.686 7.947 -0.261 18218 3507 1 7 . 1 1 51 51 SER N N 51 115.124 115.124 114.668 0.456 18218 3508 1 7 . 1 1 51 51 SER HA H 51 4.274 4.274 4.179 0.095 18218 3509 1 7 . 1 1 51 51 SER C C 51 172.392 172.392 173.770 -1.378 18218 3510 1 7 . 1 1 51 51 SER CA C 51 56.112 56.112 58.069 -1.957 18218 3511 1 7 . 1 1 51 51 SER CB C 51 60.075 60.075 63.630 -3.555 18218 3512 1 7 . 1 1 51 51 SER H H 51 7.873 7.873 8.459 -0.586 18218 3513 1 7 . 1 1 52 52 ARG N N 52 122.132 122.132 123.745 -1.613 18218 3514 1 7 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.156 0.120 18218 3515 1 7 . 1 1 52 52 ARG C C 52 174.316 174.316 177.780 -3.464 18218 3516 1 7 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.934 -3.513 18218 3517 1 7 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.847 -4.515 18218 3518 1 7 . 1 1 52 52 ARG H H 52 7.923 7.923 8.443 -0.520 18218 3519 1 7 . 1 1 53 53 GLY N N 53 108.907 108.907 109.402 -0.495 18218 3520 1 7 . 1 1 53 53 GLY C C 53 171.405 171.405 174.010 -2.605 18218 3521 1 7 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.588 -3.129 18218 3522 1 7 . 1 1 53 53 GLY H H 53 8.142 8.142 8.494 -0.352 18218 3523 1 7 . 1 1 54 54 SER N N 54 115.609 115.609 118.064 -2.455 18218 3524 1 7 . 1 1 54 54 SER HA H 54 4.470 4.470 4.619 -0.149 18218 3525 1 7 . 1 1 54 54 SER C C 54 172.367 172.367 173.904 -1.537 18218 3526 1 7 . 1 1 54 54 SER CA C 54 55.504 55.504 57.911 -2.407 18218 3527 1 7 . 1 1 54 54 SER CB C 54 60.537 60.537 63.538 -3.001 18218 3528 1 7 . 1 1 54 54 SER H H 54 8.042 8.042 8.120 -0.078 18218 3529 1 7 . 1 1 55 55 THR N N 55 117.148 117.148 117.958 -0.810 18218 3530 1 7 . 1 1 55 55 THR HA H 55 4.244 4.244 4.047 0.197 18218 3531 1 7 . 1 1 55 55 THR C C 55 171.785 171.785 173.601 -1.816 18218 3532 1 7 . 1 1 55 55 THR CA C 55 59.612 59.612 63.212 -3.600 18218 3533 1 7 . 1 1 55 55 THR CB C 55 66.322 66.322 68.559 -2.237 18218 3534 1 7 . 1 1 55 55 THR H H 55 8.123 8.123 8.374 -0.251 18218 3535 1 7 . 1 1 56 56 LYS N N 56 123.462 123.462 118.478 4.984 18218 3536 1 7 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.151 0.093 18218 3537 1 7 . 1 1 56 56 LYS C C 56 173.848 173.848 175.655 -1.807 18218 3538 1 7 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.423 -3.857 18218 3539 1 7 . 1 1 56 56 LYS CB C 56 29.117 29.117 30.756 -1.639 18218 3540 1 7 . 1 1 56 56 LYS H H 56 8.184 8.184 8.314 -0.130 18218 3541 1 7 . 1 1 57 57 MET N N 57 121.145 121.145 116.549 4.596 18218 3542 1 7 . 1 1 57 57 MET HA H 57 4.425 4.425 4.480 -0.055 18218 3543 1 7 . 1 1 57 57 MET C C 57 172.835 172.835 175.138 -2.303 18218 3544 1 7 . 1 1 57 57 MET CA C 57 52.930 52.930 55.923 -2.993 18218 3545 1 7 . 1 1 57 57 MET CB C 57 29.876 29.876 33.792 -3.916 18218 3546 1 7 . 1 1 57 57 MET H H 57 8.153 8.153 8.184 -0.031 18218 3547 1 7 . 1 1 58 58 SER N N 58 116.811 116.811 117.817 -1.006 18218 3548 1 7 . 1 1 58 58 SER HA H 58 4.470 4.470 4.871 -0.401 18218 3549 1 7 . 1 1 58 58 SER C C 58 171.620 171.620 174.444 -2.824 18218 3550 1 7 . 1 1 58 58 SER CA C 58 55.041 55.041 57.456 -2.415 18218 3551 1 7 . 1 1 58 58 SER CB C 58 60.653 60.653 65.196 -4.543 18218 3552 1 7 . 1 1 58 58 SER H H 58 7.895 7.895 7.741 0.154 18218 3553 1 7 . 1 1 59 59 ILE N N 59 122.346 122.346 118.048 4.298 18218 3554 1 7 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.302 -0.312 18218 3555 1 7 . 1 1 59 59 ILE C C 59 173.127 173.127 175.719 -2.592 18218 3556 1 7 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.194 -3.652 18218 3557 1 7 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.845 -3.907 18218 3558 1 7 . 1 1 59 59 ILE H H 59 8.110 8.110 8.560 -0.450 18218 3559 1 7 . 1 1 60 60 HIS N N 60 121.006 121.006 118.782 2.224 18218 3560 1 7 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.790 -0.776 18218 3561 1 7 . 1 1 60 60 HIS C C 60 172.443 172.443 174.867 -2.424 18218 3562 1 7 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.895 -3.530 18218 3563 1 7 . 1 1 60 60 HIS CB C 60 25.510 25.510 31.965 -6.455 18218 3564 1 7 . 1 1 60 60 HIS H H 60 8.235 8.235 8.018 0.217 18218 3565 1 7 . 1 1 61 61 LEU N N 61 120.472 120.472 121.916 -1.444 18218 3566 1 7 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.644 -0.455 18218 3567 1 7 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.524 -2.334 18218 3568 1 7 . 1 1 61 61 LEU CB C 61 38.864 38.864 40.768 -1.904 18218 3569 1 7 . 1 1 61 61 LEU H H 61 8.045 8.045 8.123 -0.078 18218 3570 1 7 . 1 1 62 62 ILE N N 62 117.281 117.281 115.741 1.540 18218 3571 1 7 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.492 -0.595 18218 3572 1 7 . 1 1 62 62 ILE CA C 62 59.149 59.149 60.805 -1.656 18218 3573 1 7 . 1 1 62 62 ILE CB C 62 34.432 34.432 37.852 -3.420 18218 3574 1 7 . 1 1 62 62 ILE H H 62 7.555 7.555 8.052 -0.497 18218 3575 1 7 . 1 1 63 63 HIS N N 63 119.488 119.488 121.034 -1.546 18218 3576 1 7 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.772 -0.135 18218 3577 1 7 . 1 1 63 63 HIS CA C 63 52.438 52.438 57.755 -5.317 18218 3578 1 7 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.818 -5.688 18218 3579 1 7 . 1 1 63 63 HIS H H 63 8.179 8.179 8.738 -0.559 18218 3580 1 7 . 1 1 64 64 THR N N 64 112.132 112.132 113.716 -1.584 18218 3581 1 7 . 1 1 64 64 THR HA H 64 4.296 4.296 4.710 -0.414 18218 3582 1 7 . 1 1 64 64 THR C C 64 175.063 175.063 174.923 0.140 18218 3583 1 7 . 1 1 64 64 THR CA C 64 58.802 58.802 61.010 -2.208 18218 3584 1 7 . 1 1 64 64 THR CB C 64 67.588 67.588 70.410 -2.822 18218 3585 1 7 . 1 1 64 64 THR H H 64 7.576 7.576 7.634 -0.058 18218 3586 1 7 . 1 1 65 65 ARG N N 65 123.493 123.493 123.594 -0.101 18218 3587 1 7 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.495 -0.199 18218 3588 1 7 . 1 1 65 65 ARG C C 65 175.633 175.633 175.910 -0.277 18218 3589 1 7 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.221 -0.890 18218 3590 1 7 . 1 1 65 65 ARG CB C 65 26.143 26.143 28.258 -2.115 18218 3591 1 7 . 1 1 65 65 ARG H H 65 8.713 8.713 8.958 -0.245 18218 3592 1 7 . 1 1 66 66 VAL N N 66 117.974 117.974 122.209 -4.235 18218 3593 1 7 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.865 0.132 18218 3594 1 7 . 1 1 66 66 VAL C C 66 174.215 174.215 176.541 -2.326 18218 3595 1 7 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.118 -3.424 18218 3596 1 7 . 1 1 66 66 VAL CB C 66 28.041 28.041 32.038 -3.997 18218 3597 1 7 . 1 1 66 66 VAL H H 66 7.987 7.987 7.827 0.160 18218 3598 1 7 . 1 1 67 67 ALA N N 67 123.016 123.016 122.388 0.628 18218 3599 1 7 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.087 -0.087 18218 3600 1 7 . 1 1 67 67 ALA C C 67 175.367 175.367 178.939 -3.572 18218 3601 1 7 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.246 -3.126 18218 3602 1 7 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.145 -3.392 18218 3603 1 7 . 1 1 67 67 ALA H H 67 7.645 7.645 8.404 -0.759 18218 3604 1 7 . 1 1 68 68 ALA N N 68 120.682 120.682 120.702 -0.020 18218 3605 1 7 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.915 0.264 18218 3606 1 7 . 1 1 68 68 ALA C C 68 178.354 178.354 179.613 -1.259 18218 3607 1 7 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.904 -2.755 18218 3608 1 7 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.950 -3.196 18218 3609 1 7 . 1 1 68 68 ALA H H 68 7.931 7.931 7.792 0.139 18218 3610 1 7 . 1 1 69 69 GLN N N 69 119.129 119.129 119.134 -0.005 18218 3611 1 7 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.897 0.379 18218 3612 1 7 . 1 1 69 69 GLN C C 69 175.430 175.430 178.099 -2.669 18218 3613 1 7 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.977 -3.704 18218 3614 1 7 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.731 -3.601 18218 3615 1 7 . 1 1 69 69 GLN H H 69 8.213 8.213 8.316 -0.103 18218 3616 1 7 . 1 1 70 70 ALA N N 70 122.065 122.065 120.153 1.912 18218 3617 1 7 . 1 1 70 70 ALA HA H 70 4.000 4.000 4.011 -0.011 18218 3618 1 7 . 1 1 70 70 ALA C C 70 176.734 176.734 178.942 -2.208 18218 3619 1 7 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.580 -2.431 18218 3620 1 7 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.722 -2.969 18218 3621 1 7 . 1 1 70 70 ALA H H 70 8.397 8.397 8.169 0.228 18218 3622 1 7 . 1 1 71 71 CYS N N 71 115.893 115.893 117.547 -1.654 18218 3623 1 7 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.996 0.057 18218 3624 1 7 . 1 1 71 71 CYS C C 71 173.696 173.696 176.936 -3.240 18218 3625 1 7 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.241 -2.790 18218 3626 1 7 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.332 -3.847 18218 3627 1 7 . 1 1 71 71 CYS H H 71 8.169 8.169 7.607 0.562 18218 3628 1 7 . 1 1 72 72 ALA N N 72 122.868 122.868 123.376 -0.508 18218 3629 1 7 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.089 0.171 18218 3630 1 7 . 1 1 72 72 ALA C C 72 177.886 177.886 179.109 -1.223 18218 3631 1 7 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.149 -3.116 18218 3632 1 7 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.075 -3.322 18218 3633 1 7 . 1 1 72 72 ALA H H 72 7.742 7.742 8.307 -0.565 18218 3634 1 7 . 1 1 73 73 VAL N N 73 118.066 118.066 118.576 -0.510 18218 3635 1 7 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.510 0.266 18218 3636 1 7 . 1 1 73 73 VAL C C 73 175.696 175.696 178.312 -2.616 18218 3637 1 7 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.588 -3.939 18218 3638 1 7 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.243 -3.139 18218 3639 1 7 . 1 1 73 73 VAL H H 73 8.050 8.050 8.364 -0.314 18218 3640 1 7 . 1 1 74 74 GLY N N 74 109.146 109.146 105.910 3.236 18218 3641 1 7 . 1 1 74 74 GLY C C 74 171.962 171.962 175.385 -3.423 18218 3642 1 7 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.837 -2.267 18218 3643 1 7 . 1 1 74 74 GLY H H 74 8.648 8.648 8.021 0.627 18218 3644 1 7 . 1 1 75 75 ALA N N 75 123.035 123.035 125.419 -2.384 18218 3645 1 7 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.941 0.148 18218 3646 1 7 . 1 1 75 75 ALA C C 75 178.253 178.253 179.618 -1.365 18218 3647 1 7 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.885 -2.447 18218 3648 1 7 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.254 -3.564 18218 3649 1 7 . 1 1 75 75 ALA H H 75 8.213 8.213 7.683 0.530 18218 3650 1 7 . 1 1 76 76 ILE N N 76 120.121 120.121 119.479 0.642 18218 3651 1 7 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.474 0.355 18218 3652 1 7 . 1 1 76 76 ILE C C 76 176.506 176.506 178.186 -1.680 18218 3653 1 7 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.767 -4.449 18218 3654 1 7 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.865 -3.497 18218 3655 1 7 . 1 1 76 76 ILE H H 76 7.523 7.523 8.198 -0.675 18218 3656 1 7 . 1 1 77 77 MET N N 77 120.468 120.468 118.520 1.948 18218 3657 1 7 . 1 1 77 77 MET HA H 77 4.116 4.116 3.949 0.167 18218 3658 1 7 . 1 1 77 77 MET C C 77 175.038 175.038 178.616 -3.578 18218 3659 1 7 . 1 1 77 77 MET CA C 77 56.314 56.314 59.277 -2.963 18218 3660 1 7 . 1 1 77 77 MET CB C 77 34.242 34.242 32.106 2.136 18218 3661 1 7 . 1 1 77 77 MET H H 77 8.239 8.239 8.058 0.181 18218 3662 1 7 . 1 1 78 78 LEU N N 78 119.389 119.389 119.632 -0.243 18218 3663 1 7 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.904 0.060 18218 3664 1 7 . 1 1 78 78 LEU C C 78 176.202 176.202 178.989 -2.787 18218 3665 1 7 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.358 -3.490 18218 3666 1 7 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.582 -3.797 18218 3667 1 7 . 1 1 78 78 LEU H H 78 8.571 8.571 8.557 0.014 18218 3668 1 7 . 1 1 79 79 GLY N N 79 105.857 105.857 106.646 -0.789 18218 3669 1 7 . 1 1 79 79 GLY C C 79 173.861 173.861 175.580 -1.719 18218 3670 1 7 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.411 -3.159 18218 3671 1 7 . 1 1 79 79 GLY H H 79 8.006 8.006 8.259 -0.253 18218 3672 1 7 . 1 1 80 80 ALA N N 80 125.631 125.631 124.830 0.801 18218 3673 1 7 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.026 0.269 18218 3674 1 7 . 1 1 80 80 ALA C C 80 177.544 177.544 179.803 -2.259 18218 3675 1 7 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.013 -3.009 18218 3676 1 7 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.234 -3.544 18218 3677 1 7 . 1 1 80 80 ALA H H 80 7.971 7.971 8.244 -0.273 18218 3678 1 7 . 1 1 81 81 VAL N N 81 118.858 118.858 119.620 -0.762 18218 3679 1 7 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.420 0.320 18218 3680 1 7 . 1 1 81 81 VAL C C 81 174.974 174.974 178.080 -3.106 18218 3681 1 7 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.011 -3.697 18218 3682 1 7 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.655 -3.867 18218 3683 1 7 . 1 1 81 81 VAL H H 81 8.206 8.206 7.726 0.480 18218 3684 1 7 . 1 1 82 82 TYR N N 82 121.151 121.151 118.630 2.521 18218 3685 1 7 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.958 0.319 18218 3686 1 7 . 1 1 82 82 TYR C C 82 176.038 176.038 178.563 -2.525 18218 3687 1 7 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.111 -3.309 18218 3688 1 7 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.249 -3.817 18218 3689 1 7 . 1 1 82 82 TYR H H 82 8.614 8.614 8.737 -0.123 18218 3690 1 7 . 1 1 83 83 THR N N 83 118.253 118.253 113.915 4.338 18218 3691 1 7 . 1 1 83 83 THR HA H 83 4.340 4.340 4.081 0.259 18218 3692 1 7 . 1 1 83 83 THR CA C 83 63.980 63.980 66.284 -2.304 18218 3693 1 7 . 1 1 83 83 THR CB C 83 65.437 65.437 68.688 -3.251 18218 3694 1 7 . 1 1 83 83 THR H H 83 8.361 8.361 8.302 0.059 18218 3695 1 7 . 1 1 84 84 MET N N 84 121.616 121.616 121.883 -0.267 18218 3696 1 7 . 1 1 84 84 MET C C 84 175.949 175.949 178.147 -2.198 18218 3697 1 7 . 1 1 84 84 MET CA C 84 56.603 56.603 59.625 -3.022 18218 3698 1 7 . 1 1 84 84 MET CB C 84 29.180 29.180 32.621 -3.441 18218 3699 1 7 . 1 1 84 84 MET H H 84 8.053 8.053 8.109 -0.056 18218 3700 1 7 . 1 1 85 85 TYR N N 85 120.690 120.690 117.956 2.734 18218 3701 1 7 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.180 -0.010 18218 3702 1 7 . 1 1 85 85 TYR C C 85 173.709 173.709 177.608 -3.899 18218 3703 1 7 . 1 1 85 85 TYR CA C 85 58.484 58.484 60.629 -2.145 18218 3704 1 7 . 1 1 85 85 TYR CB C 85 34.938 34.938 37.813 -2.875 18218 3705 1 7 . 1 1 85 85 TYR H H 85 8.543 8.543 8.666 -0.123 18218 3706 1 7 . 1 1 86 86 SER N N 86 115.536 115.536 113.862 1.674 18218 3707 1 7 . 1 1 86 86 SER HA H 86 3.802 3.802 4.361 -0.559 18218 3708 1 7 . 1 1 86 86 SER C C 86 174.709 174.709 176.750 -2.041 18218 3709 1 7 . 1 1 86 86 SER CA C 86 58.542 58.542 61.099 -2.557 18218 3710 1 7 . 1 1 86 86 SER CB C 86 59.243 59.243 63.850 -4.607 18218 3711 1 7 . 1 1 86 86 SER H H 86 8.422 8.422 8.206 0.216 18218 3712 1 7 . 1 1 87 87 ASP N N 87 121.132 121.132 123.841 -2.709 18218 3713 1 7 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.383 -0.034 18218 3714 1 7 . 1 1 87 87 ASP C C 87 175.177 175.177 177.772 -2.595 18218 3715 1 7 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.483 -2.714 18218 3716 1 7 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.477 -4.147 18218 3717 1 7 . 1 1 87 87 ASP H H 87 8.295 8.295 8.262 0.033 18218 3718 1 7 . 1 1 88 88 TYR N N 88 122.430 122.430 120.053 2.377 18218 3719 1 7 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.165 -0.049 18218 3720 1 7 . 1 1 88 88 TYR C C 88 174.772 174.772 176.010 -1.238 18218 3721 1 7 . 1 1 88 88 TYR CA C 88 58.542 58.542 59.387 -0.845 18218 3722 1 7 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.415 -3.287 18218 3723 1 7 . 1 1 88 88 TYR H H 88 7.919 7.919 8.090 -0.171 18218 3724 1 7 . 1 1 89 89 VAL N N 89 118.321 118.321 115.261 3.060 18218 3725 1 7 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.438 -0.012 18218 3726 1 7 . 1 1 89 89 VAL C C 89 176.101 176.101 176.945 -0.844 18218 3727 1 7 . 1 1 89 89 VAL CA C 89 62.794 62.794 62.754 0.040 18218 3728 1 7 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.412 -4.561 18218 3729 1 7 . 1 1 89 89 VAL H H 89 8.121 8.121 7.549 0.572 18218 3730 1 7 . 1 1 90 90 LYS N N 90 120.272 120.272 120.297 -0.025 18218 3731 1 7 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.930 0.079 18218 3732 1 7 . 1 1 90 90 LYS C C 90 176.126 176.126 176.832 -0.706 18218 3733 1 7 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.416 -2.564 18218 3734 1 7 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.658 -4.048 18218 3735 1 7 . 1 1 90 90 LYS H H 90 7.708 7.708 8.354 -0.646 18218 3736 1 7 . 1 1 91 91 ARG N N 91 119.904 119.904 118.180 1.724 18218 3737 1 7 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.379 -0.351 18218 3738 1 7 . 1 1 91 91 ARG C C 91 175.544 175.544 174.528 1.016 18218 3739 1 7 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.041 -0.855 18218 3740 1 7 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.486 -4.217 18218 3741 1 7 . 1 1 91 91 ARG H H 91 7.685 7.685 7.837 -0.152 18218 3742 1 7 . 1 1 92 92 MET N N 92 118.654 118.654 125.509 -6.855 18218 3743 1 7 . 1 1 92 92 MET HA H 92 4.248 4.248 4.631 -0.383 18218 3744 1 7 . 1 1 92 92 MET C C 92 174.810 174.810 175.075 -0.265 18218 3745 1 7 . 1 1 92 92 MET CA C 92 53.508 53.508 55.350 -1.842 18218 3746 1 7 . 1 1 92 92 MET CB C 92 26.016 26.016 34.403 -8.387 18218 3747 1 7 . 1 1 92 92 MET H H 92 7.790 7.790 8.650 -0.860 18218 3748 1 7 . 1 1 93 93 ALA N N 93 122.890 122.890 127.322 -4.432 18218 3749 1 7 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.137 0.074 18218 3750 1 7 . 1 1 93 93 ALA C C 93 175.633 175.633 177.750 -2.117 18218 3751 1 7 . 1 1 93 93 ALA CA C 93 49.922 49.922 51.982 -2.060 18218 3752 1 7 . 1 1 93 93 ALA CB C 93 15.259 15.259 18.343 -3.084 18218 3753 1 7 . 1 1 93 93 ALA H H 93 7.648 7.648 8.586 -0.938 18218 3754 1 7 . 1 1 94 94 GLN N N 94 119.315 119.315 120.278 -0.963 18218 3755 1 7 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.044 0.155 18218 3756 1 7 . 1 1 94 94 GLN C C 94 173.676 173.676 176.180 -2.504 18218 3757 1 7 . 1 1 94 94 GLN CA C 94 53.364 53.364 58.274 -4.910 18218 3758 1 7 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.907 -3.017 18218 3759 1 7 . 1 1 94 94 GLN H H 94 7.887 7.887 8.820 -0.933 18218 3760 1 7 . 1 1 95 95 ASP N N 95 121.546 121.546 111.880 9.666 18218 3761 1 7 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.578 -0.018 18218 3762 1 7 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.405 -2.921 18218 3763 1 7 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.817 -3.095 18218 3764 1 7 . 1 1 95 95 ASP H H 95 8.199 8.199 8.012 0.187 18218 3765 1 7 . 1 1 96 96 ALA N N 96 125.033 125.033 125.170 -0.137 18218 3766 1 7 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.012 0.243 18218 3767 1 7 . 1 1 96 96 ALA C C 96 175.645 175.645 178.015 -2.370 18218 3768 1 7 . 1 1 96 96 ALA CA C 96 49.777 49.777 53.411 -3.634 18218 3769 1 7 . 1 1 96 96 ALA CB C 96 15.576 15.576 17.436 -1.860 18218 3770 1 7 . 1 1 96 96 ALA H H 96 8.062 8.062 8.430 -0.368 18218 3771 1 7 . 1 1 97 97 GLY N N 97 108.048 108.048 110.613 -2.565 18218 3772 1 7 . 1 1 97 97 GLY C C 97 171.418 171.418 173.418 -2.000 18218 3773 1 7 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.292 -3.152 18218 3774 1 7 . 1 1 97 97 GLY H H 97 8.196 8.196 8.361 -0.165 18218 3775 1 7 . 1 1 98 98 GLU N N 98 121.445 121.445 121.646 -0.201 18218 3776 1 7 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.423 -0.158 18218 3777 1 7 . 1 1 98 98 GLU C C 98 172.987 172.987 175.701 -2.714 18218 3778 1 7 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.000 -2.723 18218 3779 1 7 . 1 1 98 98 GLU CB C 98 26.396 26.396 31.482 -5.086 18218 3780 1 7 . 1 1 98 98 GLU H H 98 8.086 8.086 8.090 -0.004 18218 3781 1 8 . 1 1 2 2 SER N N 2 116.234 116.234 116.280 -0.046 18218 3782 1 8 . 1 1 2 2 SER HA H 2 4.828 4.828 4.906 -0.078 18218 3783 1 8 . 1 1 2 2 SER C C 2 171.696 171.696 173.340 -1.644 18218 3784 1 8 . 1 1 2 2 SER CA C 2 55.273 55.273 58.305 -3.032 18218 3785 1 8 . 1 1 2 2 SER CB C 2 60.624 60.624 64.492 -3.868 18218 3786 1 8 . 1 1 2 2 SER H H 2 7.958 7.958 8.588 -0.630 18218 3787 1 8 . 1 1 3 3 ALA N N 3 125.895 125.895 126.941 -1.046 18218 3788 1 8 . 1 1 3 3 ALA C C 3 174.633 174.633 176.718 -2.085 18218 3789 1 8 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.846 -3.127 18218 3790 1 8 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.440 -3.928 18218 3791 1 8 . 1 1 3 3 ALA H H 3 8.273 8.273 8.644 -0.371 18218 3792 1 8 . 1 1 4 4 ASN N N 4 118.166 118.166 117.591 0.575 18218 3793 1 8 . 1 1 4 4 ASN HA H 4 4.600 4.600 5.146 -0.546 18218 3794 1 8 . 1 1 4 4 ASN C C 4 172.089 172.089 173.539 -1.450 18218 3795 1 8 . 1 1 4 4 ASN CA C 4 50.269 50.269 52.636 -2.368 18218 3796 1 8 . 1 1 4 4 ASN CB C 4 35.571 35.571 41.239 -5.668 18218 3797 1 8 . 1 1 4 4 ASN H H 4 8.307 8.307 8.856 -0.549 18218 3798 1 8 . 1 1 5 5 ARG N N 5 121.553 121.553 122.048 -0.495 18218 3799 1 8 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.408 -0.239 18218 3800 1 8 . 1 1 5 5 ARG C C 5 173.013 173.013 174.146 -1.133 18218 3801 1 8 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.261 -3.447 18218 3802 1 8 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.288 -4.070 18218 3803 1 8 . 1 1 5 5 ARG H H 5 8.058 8.058 8.820 -0.762 18218 3804 1 8 . 1 1 6 6 ARG N N 6 122.689 122.689 122.696 -0.007 18218 3805 1 8 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.734 -0.793 18218 3806 1 8 . 1 1 6 6 ARG C C 6 173.392 173.392 175.133 -1.741 18218 3807 1 8 . 1 1 6 6 ARG CA C 6 52.265 52.265 55.536 -3.271 18218 3808 1 8 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.474 -5.268 18218 3809 1 8 . 1 1 6 6 ARG H H 6 8.122 8.122 8.364 -0.242 18218 3810 1 8 . 1 1 7 7 TRP N N 7 120.901 120.901 122.674 -1.773 18218 3811 1 8 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.538 -0.120 18218 3812 1 8 . 1 1 7 7 TRP C C 7 172.557 172.557 174.631 -2.074 18218 3813 1 8 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.751 -3.230 18218 3814 1 8 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.019 -2.940 18218 3815 1 8 . 1 1 7 7 TRP H H 7 7.585 7.585 8.811 -1.226 18218 3816 1 8 . 1 1 8 8 TRP N N 8 118.192 118.192 123.986 -5.794 18218 3817 1 8 . 1 1 8 8 TRP HA H 8 4.451 4.451 5.036 -0.585 18218 3818 1 8 . 1 1 8 8 TRP C C 8 171.456 171.456 174.884 -3.428 18218 3819 1 8 . 1 1 8 8 TRP CA C 8 53.942 53.942 55.891 -1.949 18218 3820 1 8 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.093 -3.583 18218 3821 1 8 . 1 1 8 8 TRP H H 8 6.811 6.811 8.283 -1.472 18218 3822 1 8 . 1 1 9 9 VAL N N 9 122.005 122.005 121.519 0.486 18218 3823 1 8 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.300 -0.148 18218 3824 1 8 . 1 1 9 9 VAL C C 9 170.671 170.671 173.936 -3.265 18218 3825 1 8 . 1 1 9 9 VAL CA C 9 56.083 56.083 58.136 -2.053 18218 3826 1 8 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.761 -3.581 18218 3827 1 8 . 1 1 9 9 VAL H H 9 6.949 6.949 7.676 -0.727 18218 3828 1 8 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.660 -2.328 18218 3829 1 8 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.193 -2.810 18218 3830 1 8 . 1 1 12 12 ASP N N 12 119.443 119.443 118.728 0.715 18218 3831 1 8 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.313 0.211 18218 3832 1 8 . 1 1 12 12 ASP C C 12 174.215 174.215 174.985 -0.770 18218 3833 1 8 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.103 -3.678 18218 3834 1 8 . 1 1 12 12 ASP CB C 12 37.279 37.279 40.713 -3.434 18218 3835 1 8 . 1 1 12 12 ASP H H 12 8.241 8.241 8.455 -0.214 18218 3836 1 8 . 1 1 13 13 ASP N N 13 119.369 119.369 119.888 -0.519 18218 3837 1 8 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.720 -0.140 18218 3838 1 8 . 1 1 13 13 ASP C C 13 175.379 175.379 176.295 -0.916 18218 3839 1 8 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.050 -3.942 18218 3840 1 8 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.964 -5.622 18218 3841 1 8 . 1 1 13 13 ASP H H 13 7.980 7.980 8.575 -0.595 18218 3842 1 8 . 1 1 14 14 GLU N N 14 121.036 121.036 119.342 1.694 18218 3843 1 8 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.348 -0.188 18218 3844 1 8 . 1 1 14 14 GLU C C 14 173.633 173.633 175.023 -1.390 18218 3845 1 8 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.227 -2.111 18218 3846 1 8 . 1 1 14 14 GLU CB C 14 26.206 26.206 31.268 -5.062 18218 3847 1 8 . 1 1 14 14 GLU H H 14 8.197 8.197 8.318 -0.121 18218 3848 1 8 . 1 1 15 15 ASP N N 15 120.130 120.130 120.102 0.028 18218 3849 1 8 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.552 0.090 18218 3850 1 8 . 1 1 15 15 ASP C C 15 173.595 173.595 175.151 -1.556 18218 3851 1 8 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.623 -3.168 18218 3852 1 8 . 1 1 15 15 ASP CB C 15 37.469 37.469 41.275 -3.806 18218 3853 1 8 . 1 1 15 15 ASP H H 15 8.308 8.308 8.400 -0.092 18218 3854 1 8 . 1 1 16 16 CYS N N 16 118.700 118.700 119.423 -0.723 18218 3855 1 8 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.543 -0.092 18218 3856 1 8 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.175 -4.439 18218 3857 1 8 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.330 -3.643 18218 3858 1 8 . 1 1 16 16 CYS H H 16 7.968 7.968 8.812 -0.844 18218 3859 1 8 . 1 1 17 17 VAL N N 17 123.275 123.275 111.738 11.537 18218 3860 1 8 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.179 -0.451 18218 3861 1 8 . 1 1 17 17 VAL C C 17 174.430 174.430 175.185 -0.755 18218 3862 1 8 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.620 -0.115 18218 3863 1 8 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.137 -3.906 18218 3864 1 8 . 1 1 17 17 VAL H H 17 8.550 8.550 7.738 0.812 18218 3865 1 8 . 1 1 18 18 SER N N 18 116.499 116.499 115.176 1.323 18218 3866 1 8 . 1 1 18 18 SER HA H 18 3.822 3.822 4.132 -0.310 18218 3867 1 8 . 1 1 18 18 SER CA C 18 58.484 58.484 59.373 -0.888 18218 3868 1 8 . 1 1 18 18 SER CB C 18 59.109 59.109 63.288 -4.179 18218 3869 1 8 . 1 1 18 18 SER H H 18 8.447 8.447 7.904 0.543 18218 3870 1 8 . 1 1 19 19 GLU N N 19 121.940 121.940 121.699 0.241 18218 3871 1 8 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.031 -0.021 18218 3872 1 8 . 1 1 19 19 GLU C C 19 175.544 175.544 178.212 -2.668 18218 3873 1 8 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.794 -4.174 18218 3874 1 8 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.524 -4.077 18218 3875 1 8 . 1 1 19 19 GLU H H 19 7.686 7.686 8.792 -1.106 18218 3876 1 8 . 1 1 20 20 LYS N N 20 119.855 119.855 120.538 -0.683 18218 3877 1 8 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.068 -0.148 18218 3878 1 8 . 1 1 20 20 LYS C C 20 173.696 173.696 179.018 -5.322 18218 3879 1 8 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.340 -3.286 18218 3880 1 8 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.012 -3.085 18218 3881 1 8 . 1 1 20 20 LYS H H 20 7.898 7.898 7.797 0.101 18218 3882 1 8 . 1 1 21 21 LEU N N 21 119.542 119.542 121.310 -1.768 18218 3883 1 8 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.070 -0.029 18218 3884 1 8 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.461 -3.114 18218 3885 1 8 . 1 1 21 21 LEU CB C 21 38.418 38.418 40.908 -2.490 18218 3886 1 8 . 1 1 21 21 LEU H H 21 8.056 8.056 8.231 -0.175 18218 3887 1 8 . 1 1 22 22 LEU N N 22 120.384 120.384 121.221 -0.837 18218 3888 1 8 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.949 0.101 18218 3889 1 8 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.265 -3.918 18218 3890 1 8 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.282 -3.370 18218 3891 1 8 . 1 1 22 22 LEU H H 22 8.097 8.097 8.169 -0.072 18218 3892 1 8 . 1 1 23 23 ARG N N 23 119.486 119.486 116.254 3.232 18218 3893 1 8 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.045 -0.050 18218 3894 1 8 . 1 1 23 23 ARG C C 23 175.443 175.443 178.371 -2.928 18218 3895 1 8 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.066 -2.244 18218 3896 1 8 . 1 1 23 23 ARG CB C 23 26.332 26.332 29.977 -3.645 18218 3897 1 8 . 1 1 23 23 ARG H H 23 8.032 8.032 8.259 -0.227 18218 3898 1 8 . 1 1 24 24 LYS N N 24 119.009 119.009 119.743 -0.734 18218 3899 1 8 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.124 0.016 18218 3900 1 8 . 1 1 24 24 LYS C C 24 175.633 175.633 177.458 -1.825 18218 3901 1 8 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.239 -3.516 18218 3902 1 8 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.517 -3.908 18218 3903 1 8 . 1 1 24 24 LYS H H 24 7.860 7.860 7.910 -0.050 18218 3904 1 8 . 1 1 25 25 THR N N 25 112.776 112.776 116.571 -3.795 18218 3905 1 8 . 1 1 25 25 THR HA H 25 4.005 4.005 4.147 -0.142 18218 3906 1 8 . 1 1 25 25 THR C C 25 172.646 172.646 175.017 -2.371 18218 3907 1 8 . 1 1 25 25 THR CA C 25 61.810 61.810 63.547 -1.737 18218 3908 1 8 . 1 1 25 25 THR CB C 25 65.753 65.753 68.645 -2.892 18218 3909 1 8 . 1 1 25 25 THR H H 25 7.867 7.867 8.183 -0.316 18218 3910 1 8 . 1 1 26 26 ARG N N 26 119.996 119.996 127.033 -7.037 18218 3911 1 8 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.206 -0.059 18218 3912 1 8 . 1 1 26 26 ARG C C 26 174.278 174.278 176.767 -2.489 18218 3913 1 8 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.790 -2.443 18218 3914 1 8 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.743 -3.715 18218 3915 1 8 . 1 1 26 26 ARG H H 26 7.765 7.765 8.284 -0.519 18218 3916 1 8 . 1 1 27 27 GLU N N 27 118.067 118.067 120.272 -2.205 18218 3917 1 8 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.497 -0.210 18218 3918 1 8 . 1 1 27 27 GLU C C 27 173.582 173.582 175.578 -1.996 18218 3919 1 8 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.304 -2.940 18218 3920 1 8 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.208 -3.002 18218 3921 1 8 . 1 1 27 27 GLU H H 27 7.764 7.764 8.739 -0.975 18218 3922 1 8 . 1 1 28 28 SER N N 28 115.900 115.900 116.441 -0.541 18218 3923 1 8 . 1 1 28 28 SER HA H 28 4.740 4.740 4.903 -0.163 18218 3924 1 8 . 1 1 28 28 SER C C 28 170.481 170.481 172.403 -1.922 18218 3925 1 8 . 1 1 28 28 SER CA C 28 53.132 53.132 55.730 -2.598 18218 3926 1 8 . 1 1 28 28 SER CB C 28 60.624 60.624 64.194 -3.570 18218 3927 1 8 . 1 1 28 28 SER H H 28 7.630 7.630 7.867 -0.237 18218 3928 1 8 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.725 -0.189 18218 3929 1 8 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.486 -2.195 18218 3930 1 8 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.664 -3.217 18218 3931 1 8 . 1 1 30 30 LEU N N 30 120.365 120.365 120.281 0.084 18218 3932 1 8 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.545 -0.336 18218 3933 1 8 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.642 -3.886 18218 3934 1 8 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.444 -2.520 18218 3935 1 8 . 1 1 30 30 LEU H H 30 8.034 8.034 8.012 0.022 18218 3936 1 8 . 1 1 31 31 VAL N N 31 117.988 117.988 121.525 -3.537 18218 3937 1 8 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.830 0.403 18218 3938 1 8 . 1 1 31 31 VAL C C 31 171.899 171.899 175.791 -3.892 18218 3939 1 8 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.238 -10.651 18218 3940 1 8 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.594 -0.884 18218 3941 1 8 . 1 1 31 31 VAL H H 31 7.499 7.499 8.325 -0.826 18218 3942 1 8 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.300 0.237 18218 3943 1 8 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.765 -5.669 18218 3944 1 8 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.185 -3.435 18218 3945 1 8 . 1 1 33 33 ILE N N 33 121.507 121.507 118.648 2.859 18218 3946 1 8 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.607 0.312 18218 3947 1 8 . 1 1 33 33 ILE C C 33 173.025 173.025 178.300 -5.275 18218 3948 1 8 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.583 -4.711 18218 3949 1 8 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.454 -2.959 18218 3950 1 8 . 1 1 33 33 ILE H H 33 7.982 7.982 7.983 -0.001 18218 3951 1 8 . 1 1 34 34 GLY N N 34 111.381 111.381 107.333 4.048 18218 3952 1 8 . 1 1 34 34 GLY C C 34 172.987 172.987 175.783 -2.796 18218 3953 1 8 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.793 -3.785 18218 3954 1 8 . 1 1 34 34 GLY H H 34 8.540 8.540 8.465 0.075 18218 3955 1 8 . 1 1 35 35 LEU N N 35 122.626 122.626 123.302 -0.676 18218 3956 1 8 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.860 0.389 18218 3957 1 8 . 1 1 35 35 LEU C C 35 175.637 175.637 178.882 -3.245 18218 3958 1 8 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.721 -3.490 18218 3959 1 8 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.829 -3.221 18218 3960 1 8 . 1 1 35 35 LEU H H 35 7.964 7.964 7.787 0.177 18218 3961 1 8 . 1 1 36 36 GLY N N 36 106.708 106.708 106.060 0.648 18218 3962 1 8 . 1 1 36 36 GLY C C 36 172.647 172.647 175.956 -3.309 18218 3963 1 8 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.181 -2.755 18218 3964 1 8 . 1 1 36 36 GLY H H 36 8.521 8.521 8.600 -0.079 18218 3965 1 8 . 1 1 37 37 GLY N N 37 108.586 108.586 108.917 -0.331 18218 3966 1 8 . 1 1 37 37 GLY C C 37 173.291 173.291 175.739 -2.448 18218 3967 1 8 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.855 -2.720 18218 3968 1 8 . 1 1 37 37 GLY H H 37 8.270 8.270 8.284 -0.014 18218 3969 1 8 . 1 1 38 38 CYS N N 38 119.678 119.678 121.205 -1.527 18218 3970 1 8 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.203 0.041 18218 3971 1 8 . 1 1 38 38 CYS C C 38 174.215 174.215 176.459 -2.244 18218 3972 1 8 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.232 -2.996 18218 3973 1 8 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.617 -4.258 18218 3974 1 8 . 1 1 38 38 CYS H H 38 7.836 7.836 7.918 -0.082 18218 3975 1 8 . 1 1 39 39 LEU N N 39 120.798 120.798 121.709 -0.911 18218 3976 1 8 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.876 0.237 18218 3977 1 8 . 1 1 39 39 LEU C C 39 175.506 175.506 179.344 -3.838 18218 3978 1 8 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.528 -3.660 18218 3979 1 8 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.696 -3.847 18218 3980 1 8 . 1 1 39 39 LEU H H 39 7.999 7.999 8.206 -0.207 18218 3981 1 8 . 1 1 40 40 VAL N N 40 118.510 118.510 118.618 -0.108 18218 3982 1 8 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.701 -0.105 18218 3983 1 8 . 1 1 40 40 VAL C C 40 174.544 174.544 177.995 -3.451 18218 3984 1 8 . 1 1 40 40 VAL CA C 40 63.719 63.719 65.876 -2.158 18218 3985 1 8 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.722 -2.808 18218 3986 1 8 . 1 1 40 40 VAL H H 40 7.803 7.803 8.161 -0.358 18218 3987 1 8 . 1 1 41 41 VAL N N 41 119.131 119.131 120.086 -0.955 18218 3988 1 8 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.475 0.217 18218 3989 1 8 . 1 1 41 41 VAL C C 41 175.924 175.924 177.959 -2.035 18218 3990 1 8 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.940 -3.481 18218 3991 1 8 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.596 -2.555 18218 3992 1 8 . 1 1 41 41 VAL H H 41 7.624 7.624 8.001 -0.377 18218 3993 1 8 . 1 1 42 42 ALA N N 42 122.172 122.172 121.402 0.770 18218 3994 1 8 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.835 0.270 18218 3995 1 8 . 1 1 42 42 ALA C C 42 176.582 176.582 179.248 -2.666 18218 3996 1 8 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.398 -3.133 18218 3997 1 8 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.908 -3.028 18218 3998 1 8 . 1 1 42 42 ALA H H 42 8.008 8.008 8.296 -0.288 18218 3999 1 8 . 1 1 43 43 ALA N N 43 119.990 119.990 121.566 -1.576 18218 4000 1 8 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.018 -0.027 18218 4001 1 8 . 1 1 43 43 ALA C C 43 176.455 176.455 179.406 -2.951 18218 4002 1 8 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.964 -2.671 18218 4003 1 8 . 1 1 43 43 ALA CB C 43 14.880 14.880 17.926 -3.046 18218 4004 1 8 . 1 1 43 43 ALA H H 43 8.400 8.400 7.691 0.709 18218 4005 1 8 . 1 1 44 44 TYR N N 44 118.221 118.221 119.112 -0.891 18218 4006 1 8 . 1 1 44 44 TYR HA H 44 4.219 4.219 3.906 0.313 18218 4007 1 8 . 1 1 44 44 TYR C C 44 175.177 175.177 178.446 -3.269 18218 4008 1 8 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.695 -4.414 18218 4009 1 8 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.280 -3.658 18218 4010 1 8 . 1 1 44 44 TYR H H 44 8.345 8.345 8.509 -0.164 18218 4011 1 8 . 1 1 45 45 ARG N N 45 119.104 119.104 118.160 0.944 18218 4012 1 8 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.962 -0.129 18218 4013 1 8 . 1 1 45 45 ARG C C 45 176.531 176.531 178.719 -2.188 18218 4014 1 8 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.835 -3.405 18218 4015 1 8 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.105 -3.899 18218 4016 1 8 . 1 1 45 45 ARG H H 45 8.275 8.275 8.144 0.131 18218 4017 1 8 . 1 1 46 46 ILE N N 46 119.719 119.719 120.253 -0.534 18218 4018 1 8 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.591 0.110 18218 4019 1 8 . 1 1 46 46 ILE C C 46 174.873 174.873 178.153 -3.280 18218 4020 1 8 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.740 -4.306 18218 4021 1 8 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.634 -3.772 18218 4022 1 8 . 1 1 46 46 ILE H H 46 8.119 8.119 8.454 -0.335 18218 4023 1 8 . 1 1 47 47 TYR N N 47 121.419 121.419 118.472 2.947 18218 4024 1 8 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.941 0.041 18218 4025 1 8 . 1 1 47 47 TYR C C 47 175.544 175.544 177.982 -2.438 18218 4026 1 8 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.042 -3.443 18218 4027 1 8 . 1 1 47 47 TYR CB C 47 34.875 34.875 37.681 -2.806 18218 4028 1 8 . 1 1 47 47 TYR H H 47 8.383 8.383 8.755 -0.372 18218 4029 1 8 . 1 1 48 48 ARG N N 48 118.278 118.278 117.690 0.588 18218 4030 1 8 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.983 -0.291 18218 4031 1 8 . 1 1 48 48 ARG C C 48 175.671 175.671 178.304 -2.633 18218 4032 1 8 . 1 1 48 48 ARG CA C 48 54.955 54.955 59.195 -4.240 18218 4033 1 8 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.065 -4.112 18218 4034 1 8 . 1 1 48 48 ARG H H 48 8.074 8.074 7.860 0.214 18218 4035 1 8 . 1 1 49 49 LEU N N 49 120.350 120.350 118.220 2.130 18218 4036 1 8 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.057 0.091 18218 4037 1 8 . 1 1 49 49 LEU C C 49 175.772 175.772 178.678 -2.906 18218 4038 1 8 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.386 -3.878 18218 4039 1 8 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.983 -3.502 18218 4040 1 8 . 1 1 49 49 LEU H H 49 7.744 7.744 8.135 -0.391 18218 4041 1 8 . 1 1 50 50 ARG N N 50 117.990 117.990 116.666 1.324 18218 4042 1 8 . 1 1 50 50 ARG HA H 50 4.154 4.154 3.927 0.227 18218 4043 1 8 . 1 1 50 50 ARG C C 50 174.139 174.139 178.165 -4.026 18218 4044 1 8 . 1 1 50 50 ARG CA C 50 54.058 54.058 58.670 -4.612 18218 4045 1 8 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.333 -4.127 18218 4046 1 8 . 1 1 50 50 ARG H H 50 7.686 7.686 8.323 -0.637 18218 4047 1 8 . 1 1 51 51 SER N N 51 115.124 115.124 111.832 3.292 18218 4048 1 8 . 1 1 51 51 SER HA H 51 4.274 4.274 4.012 0.262 18218 4049 1 8 . 1 1 51 51 SER C C 51 172.392 172.392 173.848 -1.456 18218 4050 1 8 . 1 1 51 51 SER CA C 51 56.112 56.112 60.523 -4.412 18218 4051 1 8 . 1 1 51 51 SER CB C 51 60.075 60.075 62.101 -2.026 18218 4052 1 8 . 1 1 51 51 SER H H 51 7.873 7.873 8.118 -0.245 18218 4053 1 8 . 1 1 52 52 ARG N N 52 122.132 122.132 124.014 -1.882 18218 4054 1 8 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.046 0.230 18218 4055 1 8 . 1 1 52 52 ARG C C 52 174.316 174.316 175.846 -1.530 18218 4056 1 8 . 1 1 52 52 ARG CA C 52 53.422 53.422 57.112 -3.690 18218 4057 1 8 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.007 -3.675 18218 4058 1 8 . 1 1 52 52 ARG H H 52 7.923 7.923 7.982 -0.059 18218 4059 1 8 . 1 1 53 53 GLY N N 53 108.907 108.907 112.441 -3.534 18218 4060 1 8 . 1 1 53 53 GLY C C 53 171.405 171.405 173.308 -1.903 18218 4061 1 8 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.390 -1.931 18218 4062 1 8 . 1 1 53 53 GLY H H 53 8.142 8.142 8.451 -0.309 18218 4063 1 8 . 1 1 54 54 SER N N 54 115.609 115.609 116.441 -0.832 18218 4064 1 8 . 1 1 54 54 SER HA H 54 4.470 4.470 4.650 -0.180 18218 4065 1 8 . 1 1 54 54 SER C C 54 172.367 172.367 174.856 -2.489 18218 4066 1 8 . 1 1 54 54 SER CA C 54 55.504 55.504 57.203 -1.699 18218 4067 1 8 . 1 1 54 54 SER CB C 54 60.537 60.537 65.347 -4.810 18218 4068 1 8 . 1 1 54 54 SER H H 54 8.042 8.042 7.886 0.156 18218 4069 1 8 . 1 1 55 55 THR N N 55 117.148 117.148 115.734 1.414 18218 4070 1 8 . 1 1 55 55 THR HA H 55 4.244 4.244 4.226 0.018 18218 4071 1 8 . 1 1 55 55 THR C C 55 171.785 171.785 175.390 -3.605 18218 4072 1 8 . 1 1 55 55 THR CA C 55 59.612 59.612 64.304 -4.692 18218 4073 1 8 . 1 1 55 55 THR CB C 55 66.322 66.322 69.255 -2.933 18218 4074 1 8 . 1 1 55 55 THR H H 55 8.123 8.123 8.276 -0.153 18218 4075 1 8 . 1 1 56 56 LYS N N 56 123.462 123.462 118.715 4.747 18218 4076 1 8 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.382 -0.138 18218 4077 1 8 . 1 1 56 56 LYS C C 56 173.848 173.848 175.707 -1.859 18218 4078 1 8 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.823 -3.257 18218 4079 1 8 . 1 1 56 56 LYS CB C 56 29.117 29.117 34.115 -4.998 18218 4080 1 8 . 1 1 56 56 LYS H H 56 8.184 8.184 7.985 0.199 18218 4081 1 8 . 1 1 57 57 MET N N 57 121.145 121.145 115.121 6.024 18218 4082 1 8 . 1 1 57 57 MET HA H 57 4.425 4.425 4.682 -0.257 18218 4083 1 8 . 1 1 57 57 MET C C 57 172.835 172.835 174.374 -1.539 18218 4084 1 8 . 1 1 57 57 MET CA C 57 52.930 52.930 55.535 -2.605 18218 4085 1 8 . 1 1 57 57 MET CB C 57 29.876 29.876 34.617 -4.741 18218 4086 1 8 . 1 1 57 57 MET H H 57 8.153 8.153 7.640 0.513 18218 4087 1 8 . 1 1 58 58 SER N N 58 116.811 116.811 116.315 0.496 18218 4088 1 8 . 1 1 58 58 SER HA H 58 4.470 4.470 4.627 -0.157 18218 4089 1 8 . 1 1 58 58 SER C C 58 171.620 171.620 173.011 -1.391 18218 4090 1 8 . 1 1 58 58 SER CA C 58 55.041 55.041 58.438 -3.397 18218 4091 1 8 . 1 1 58 58 SER CB C 58 60.653 60.653 63.696 -3.043 18218 4092 1 8 . 1 1 58 58 SER H H 58 7.895 7.895 8.436 -0.541 18218 4093 1 8 . 1 1 59 59 ILE N N 59 122.346 122.346 120.486 1.860 18218 4094 1 8 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.349 -0.359 18218 4095 1 8 . 1 1 59 59 ILE C C 59 173.127 173.127 175.118 -1.991 18218 4096 1 8 . 1 1 59 59 ILE CA C 59 58.542 58.542 60.746 -2.204 18218 4097 1 8 . 1 1 59 59 ILE CB C 59 34.938 34.938 39.042 -4.104 18218 4098 1 8 . 1 1 59 59 ILE H H 59 8.110 8.110 7.977 0.133 18218 4099 1 8 . 1 1 60 60 HIS N N 60 121.006 121.006 121.810 -0.804 18218 4100 1 8 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.289 -0.275 18218 4101 1 8 . 1 1 60 60 HIS C C 60 172.443 172.443 173.745 -1.302 18218 4102 1 8 . 1 1 60 60 HIS CA C 60 53.364 53.364 57.038 -3.675 18218 4103 1 8 . 1 1 60 60 HIS CB C 60 25.510 25.510 28.259 -2.749 18218 4104 1 8 . 1 1 60 60 HIS H H 60 8.235 8.235 8.456 -0.221 18218 4105 1 8 . 1 1 61 61 LEU N N 61 120.472 120.472 121.501 -1.029 18218 4106 1 8 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.521 -0.332 18218 4107 1 8 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.652 -2.462 18218 4108 1 8 . 1 1 61 61 LEU CB C 61 38.864 38.864 44.129 -5.264 18218 4109 1 8 . 1 1 61 61 LEU H H 61 8.045 8.045 8.007 0.038 18218 4110 1 8 . 1 1 62 62 ILE N N 62 117.281 117.281 120.406 -3.125 18218 4111 1 8 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.857 0.040 18218 4112 1 8 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.622 -3.473 18218 4113 1 8 . 1 1 62 62 ILE CB C 62 34.432 34.432 36.059 -1.627 18218 4114 1 8 . 1 1 62 62 ILE H H 62 7.555 7.555 8.334 -0.779 18218 4115 1 8 . 1 1 63 63 HIS N N 63 119.488 119.488 123.777 -4.289 18218 4116 1 8 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.796 -0.159 18218 4117 1 8 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.191 -3.753 18218 4118 1 8 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.195 -5.065 18218 4119 1 8 . 1 1 63 63 HIS H H 63 8.179 8.179 8.494 -0.315 18218 4120 1 8 . 1 1 64 64 THR N N 64 112.132 112.132 111.004 1.128 18218 4121 1 8 . 1 1 64 64 THR HA H 64 4.296 4.296 4.560 -0.264 18218 4122 1 8 . 1 1 64 64 THR C C 64 175.063 175.063 174.833 0.230 18218 4123 1 8 . 1 1 64 64 THR CA C 64 58.802 58.802 60.151 -1.349 18218 4124 1 8 . 1 1 64 64 THR CB C 64 67.588 67.588 71.561 -3.973 18218 4125 1 8 . 1 1 64 64 THR H H 64 7.576 7.576 7.744 -0.168 18218 4126 1 8 . 1 1 65 65 ARG N N 65 123.493 123.493 119.453 4.040 18218 4127 1 8 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.482 -0.186 18218 4128 1 8 . 1 1 65 65 ARG C C 65 175.633 175.633 178.180 -2.547 18218 4129 1 8 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.975 -2.644 18218 4130 1 8 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.948 -4.806 18218 4131 1 8 . 1 1 65 65 ARG H H 65 8.713 8.713 8.419 0.294 18218 4132 1 8 . 1 1 66 66 VAL N N 66 117.974 117.974 117.536 0.438 18218 4133 1 8 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.719 0.278 18218 4134 1 8 . 1 1 66 66 VAL C C 66 174.215 174.215 177.174 -2.959 18218 4135 1 8 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.485 -3.791 18218 4136 1 8 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.103 -3.062 18218 4137 1 8 . 1 1 66 66 VAL H H 66 7.987 7.987 8.169 -0.182 18218 4138 1 8 . 1 1 67 67 ALA N N 67 123.016 123.016 122.466 0.550 18218 4139 1 8 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.071 -0.071 18218 4140 1 8 . 1 1 67 67 ALA C C 67 175.367 175.367 179.186 -3.819 18218 4141 1 8 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.158 -3.038 18218 4142 1 8 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.899 -3.146 18218 4143 1 8 . 1 1 67 67 ALA H H 67 7.645 7.645 8.132 -0.487 18218 4144 1 8 . 1 1 68 68 ALA N N 68 120.682 120.682 121.113 -0.431 18218 4145 1 8 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.863 0.316 18218 4146 1 8 . 1 1 68 68 ALA C C 68 178.354 178.354 179.911 -1.557 18218 4147 1 8 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.167 -3.018 18218 4148 1 8 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.920 -3.167 18218 4149 1 8 . 1 1 68 68 ALA H H 68 7.931 7.931 8.189 -0.258 18218 4150 1 8 . 1 1 69 69 GLN N N 69 119.129 119.129 119.252 -0.123 18218 4151 1 8 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.911 0.365 18218 4152 1 8 . 1 1 69 69 GLN C C 69 175.430 175.430 178.421 -2.991 18218 4153 1 8 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.910 -3.637 18218 4154 1 8 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.391 -3.261 18218 4155 1 8 . 1 1 69 69 GLN H H 69 8.213 8.213 8.544 -0.331 18218 4156 1 8 . 1 1 70 70 ALA N N 70 122.065 122.065 121.947 0.118 18218 4157 1 8 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.742 0.258 18218 4158 1 8 . 1 1 70 70 ALA C C 70 176.734 176.734 179.365 -2.631 18218 4159 1 8 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.873 -2.724 18218 4160 1 8 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.829 -3.076 18218 4161 1 8 . 1 1 70 70 ALA H H 70 8.397 8.397 8.268 0.129 18218 4162 1 8 . 1 1 71 71 CYS N N 71 115.893 115.893 116.329 -0.436 18218 4163 1 8 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.013 0.040 18218 4164 1 8 . 1 1 71 71 CYS C C 71 173.696 173.696 176.907 -3.211 18218 4165 1 8 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.614 -3.163 18218 4166 1 8 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.554 -4.069 18218 4167 1 8 . 1 1 71 71 CYS H H 71 8.169 8.169 8.228 -0.059 18218 4168 1 8 . 1 1 72 72 ALA N N 72 122.868 122.868 123.472 -0.604 18218 4169 1 8 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.963 0.297 18218 4170 1 8 . 1 1 72 72 ALA C C 72 177.886 177.886 179.161 -1.275 18218 4171 1 8 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.485 -3.452 18218 4172 1 8 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.904 -3.151 18218 4173 1 8 . 1 1 72 72 ALA H H 72 7.742 7.742 8.344 -0.602 18218 4174 1 8 . 1 1 73 73 VAL N N 73 118.066 118.066 118.337 -0.271 18218 4175 1 8 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.486 0.290 18218 4176 1 8 . 1 1 73 73 VAL C C 73 175.696 175.696 178.099 -2.403 18218 4177 1 8 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.235 -3.586 18218 4178 1 8 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.328 -3.224 18218 4179 1 8 . 1 1 73 73 VAL H H 73 8.050 8.050 8.119 -0.069 18218 4180 1 8 . 1 1 74 74 GLY N N 74 109.146 109.146 106.603 2.543 18218 4181 1 8 . 1 1 74 74 GLY C C 74 171.962 171.962 175.550 -3.588 18218 4182 1 8 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.231 -2.661 18218 4183 1 8 . 1 1 74 74 GLY H H 74 8.648 8.648 7.906 0.742 18218 4184 1 8 . 1 1 75 75 ALA N N 75 123.035 123.035 125.284 -2.249 18218 4185 1 8 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.084 0.005 18218 4186 1 8 . 1 1 75 75 ALA C C 75 178.253 178.253 179.389 -1.136 18218 4187 1 8 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.819 -2.381 18218 4188 1 8 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.419 -3.728 18218 4189 1 8 . 1 1 75 75 ALA H H 75 8.213 8.213 8.002 0.211 18218 4190 1 8 . 1 1 76 76 ILE N N 76 120.121 120.121 119.735 0.386 18218 4191 1 8 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.588 0.241 18218 4192 1 8 . 1 1 76 76 ILE C C 76 176.506 176.506 178.398 -1.892 18218 4193 1 8 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.320 -3.002 18218 4194 1 8 . 1 1 76 76 ILE CB C 76 34.368 34.368 36.437 -2.069 18218 4195 1 8 . 1 1 76 76 ILE H H 76 7.523 7.523 8.074 -0.551 18218 4196 1 8 . 1 1 77 77 MET N N 77 120.468 120.468 118.605 1.863 18218 4197 1 8 . 1 1 77 77 MET HA H 77 4.116 4.116 3.975 0.141 18218 4198 1 8 . 1 1 77 77 MET C C 77 175.038 175.038 178.243 -3.205 18218 4199 1 8 . 1 1 77 77 MET CA C 77 56.314 56.314 58.925 -2.611 18218 4200 1 8 . 1 1 77 77 MET CB C 77 34.242 34.242 32.220 2.022 18218 4201 1 8 . 1 1 77 77 MET H H 77 8.239 8.239 8.099 0.140 18218 4202 1 8 . 1 1 78 78 LEU N N 78 119.389 119.389 119.348 0.041 18218 4203 1 8 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.789 0.175 18218 4204 1 8 . 1 1 78 78 LEU C C 78 176.202 176.202 178.754 -2.552 18218 4205 1 8 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.660 -3.792 18218 4206 1 8 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.490 -3.705 18218 4207 1 8 . 1 1 78 78 LEU H H 78 8.571 8.571 7.881 0.690 18218 4208 1 8 . 1 1 79 79 GLY N N 79 105.857 105.857 105.812 0.045 18218 4209 1 8 . 1 1 79 79 GLY C C 79 173.861 173.861 175.820 -1.959 18218 4210 1 8 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.547 -3.295 18218 4211 1 8 . 1 1 79 79 GLY H H 79 8.006 8.006 8.590 -0.584 18218 4212 1 8 . 1 1 80 80 ALA N N 80 125.631 125.631 124.779 0.852 18218 4213 1 8 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.078 0.217 18218 4214 1 8 . 1 1 80 80 ALA C C 80 177.544 177.544 179.729 -2.185 18218 4215 1 8 . 1 1 80 80 ALA CA C 80 52.004 52.004 54.903 -2.899 18218 4216 1 8 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.351 -3.661 18218 4217 1 8 . 1 1 80 80 ALA H H 80 7.971 7.971 7.904 0.067 18218 4218 1 8 . 1 1 81 81 VAL N N 81 118.858 118.858 120.196 -1.338 18218 4219 1 8 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.529 0.211 18218 4220 1 8 . 1 1 81 81 VAL C C 81 174.974 174.974 178.078 -3.104 18218 4221 1 8 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.597 -4.283 18218 4222 1 8 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.606 -3.818 18218 4223 1 8 . 1 1 81 81 VAL H H 81 8.206 8.206 8.299 -0.093 18218 4224 1 8 . 1 1 82 82 TYR N N 82 121.151 121.151 119.385 1.766 18218 4225 1 8 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.027 0.250 18218 4226 1 8 . 1 1 82 82 TYR C C 82 176.038 176.038 178.265 -2.227 18218 4227 1 8 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.525 -2.723 18218 4228 1 8 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.892 -3.461 18218 4229 1 8 . 1 1 82 82 TYR H H 82 8.614 8.614 8.516 0.098 18218 4230 1 8 . 1 1 83 83 THR N N 83 118.253 118.253 115.650 2.603 18218 4231 1 8 . 1 1 83 83 THR HA H 83 4.340 4.340 3.808 0.532 18218 4232 1 8 . 1 1 83 83 THR CA C 83 63.980 63.980 67.004 -3.024 18218 4233 1 8 . 1 1 83 83 THR CB C 83 65.437 65.437 68.675 -3.238 18218 4234 1 8 . 1 1 83 83 THR H H 83 8.361 8.361 8.367 -0.006 18218 4235 1 8 . 1 1 84 84 MET N N 84 121.616 121.616 120.861 0.755 18218 4236 1 8 . 1 1 84 84 MET C C 84 175.949 175.949 177.860 -1.911 18218 4237 1 8 . 1 1 84 84 MET CA C 84 56.603 56.603 59.449 -2.846 18218 4238 1 8 . 1 1 84 84 MET CB C 84 29.180 29.180 32.499 -3.319 18218 4239 1 8 . 1 1 84 84 MET H H 84 8.053 8.053 8.019 0.034 18218 4240 1 8 . 1 1 85 85 TYR N N 85 120.690 120.690 119.264 1.426 18218 4241 1 8 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.000 0.170 18218 4242 1 8 . 1 1 85 85 TYR C C 85 173.709 173.709 177.549 -3.840 18218 4243 1 8 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.169 -2.686 18218 4244 1 8 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.163 -3.225 18218 4245 1 8 . 1 1 85 85 TYR H H 85 8.543 8.543 8.349 0.194 18218 4246 1 8 . 1 1 86 86 SER N N 86 115.536 115.536 112.466 3.070 18218 4247 1 8 . 1 1 86 86 SER HA H 86 3.802 3.802 4.228 -0.426 18218 4248 1 8 . 1 1 86 86 SER C C 86 174.709 174.709 176.703 -1.994 18218 4249 1 8 . 1 1 86 86 SER CA C 86 58.542 58.542 60.958 -2.416 18218 4250 1 8 . 1 1 86 86 SER CB C 86 59.243 59.243 63.497 -4.254 18218 4251 1 8 . 1 1 86 86 SER H H 86 8.422 8.422 8.109 0.313 18218 4252 1 8 . 1 1 87 87 ASP N N 87 121.132 121.132 122.587 -1.455 18218 4253 1 8 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.309 0.040 18218 4254 1 8 . 1 1 87 87 ASP C C 87 175.177 175.177 177.384 -2.207 18218 4255 1 8 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.049 -3.280 18218 4256 1 8 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.596 -4.266 18218 4257 1 8 . 1 1 87 87 ASP H H 87 8.295 8.295 8.197 0.098 18218 4258 1 8 . 1 1 88 88 TYR N N 88 122.430 122.430 118.617 3.813 18218 4259 1 8 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.082 0.034 18218 4260 1 8 . 1 1 88 88 TYR C C 88 174.772 174.772 176.104 -1.332 18218 4261 1 8 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.083 -1.541 18218 4262 1 8 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.447 -3.319 18218 4263 1 8 . 1 1 88 88 TYR H H 88 7.919 7.919 7.861 0.058 18218 4264 1 8 . 1 1 89 89 VAL N N 89 118.321 118.321 118.684 -0.363 18218 4265 1 8 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.568 -0.142 18218 4266 1 8 . 1 1 89 89 VAL C C 89 176.101 176.101 176.760 -0.659 18218 4267 1 8 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.552 -0.758 18218 4268 1 8 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.952 -4.101 18218 4269 1 8 . 1 1 89 89 VAL H H 89 8.121 8.121 7.700 0.421 18218 4270 1 8 . 1 1 90 90 LYS N N 90 120.272 120.272 128.037 -7.765 18218 4271 1 8 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.012 -0.003 18218 4272 1 8 . 1 1 90 90 LYS C C 90 176.126 176.126 176.815 -0.689 18218 4273 1 8 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.542 -2.691 18218 4274 1 8 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.636 -4.026 18218 4275 1 8 . 1 1 90 90 LYS H H 90 7.708 7.708 8.410 -0.702 18218 4276 1 8 . 1 1 91 91 ARG N N 91 119.904 119.904 116.276 3.628 18218 4277 1 8 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.330 -0.302 18218 4278 1 8 . 1 1 91 91 ARG C C 91 175.544 175.544 174.822 0.722 18218 4279 1 8 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.770 -0.584 18218 4280 1 8 . 1 1 91 91 ARG CB C 91 26.269 26.269 29.134 -2.865 18218 4281 1 8 . 1 1 91 91 ARG H H 91 7.685 7.685 7.955 -0.270 18218 4282 1 8 . 1 1 92 92 MET N N 92 118.654 118.654 118.377 0.277 18218 4283 1 8 . 1 1 92 92 MET HA H 92 4.248 4.248 4.234 0.014 18218 4284 1 8 . 1 1 92 92 MET C C 92 174.810 174.810 175.116 -0.306 18218 4285 1 8 . 1 1 92 92 MET CA C 92 53.508 53.508 55.989 -2.481 18218 4286 1 8 . 1 1 92 92 MET CB C 92 26.016 26.016 33.174 -7.158 18218 4287 1 8 . 1 1 92 92 MET H H 92 7.790 7.790 7.799 -0.009 18218 4288 1 8 . 1 1 93 93 ALA N N 93 122.890 122.890 126.838 -3.948 18218 4289 1 8 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.436 -0.225 18218 4290 1 8 . 1 1 93 93 ALA C C 93 175.633 175.633 176.524 -0.891 18218 4291 1 8 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.366 -2.444 18218 4292 1 8 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.849 -4.590 18218 4293 1 8 . 1 1 93 93 ALA H H 93 7.648 7.648 8.347 -0.699 18218 4294 1 8 . 1 1 94 94 GLN N N 94 119.315 119.315 119.258 0.057 18218 4295 1 8 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.541 -0.342 18218 4296 1 8 . 1 1 94 94 GLN C C 94 173.676 173.676 174.238 -0.562 18218 4297 1 8 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.674 -2.310 18218 4298 1 8 . 1 1 94 94 GLN CB C 94 25.890 25.890 30.337 -4.447 18218 4299 1 8 . 1 1 94 94 GLN H H 94 7.887 7.887 8.325 -0.438 18218 4300 1 8 . 1 1 95 95 ASP N N 95 121.546 121.546 120.942 0.604 18218 4301 1 8 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.687 -0.127 18218 4302 1 8 . 1 1 95 95 ASP CA C 95 51.484 51.484 53.934 -2.450 18218 4303 1 8 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.457 -3.735 18218 4304 1 8 . 1 1 95 95 ASP H H 95 8.199 8.199 8.354 -0.155 18218 4305 1 8 . 1 1 96 96 ALA N N 96 125.033 125.033 122.436 2.597 18218 4306 1 8 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.136 0.119 18218 4307 1 8 . 1 1 96 96 ALA C C 96 175.645 175.645 178.180 -2.535 18218 4308 1 8 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.011 -2.233 18218 4309 1 8 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.819 -3.243 18218 4310 1 8 . 1 1 96 96 ALA H H 96 8.062 8.062 7.692 0.370 18218 4311 1 8 . 1 1 97 97 GLY N N 97 108.048 108.048 107.259 0.789 18218 4312 1 8 . 1 1 97 97 GLY C C 97 171.418 171.418 174.571 -3.153 18218 4313 1 8 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.748 -3.608 18218 4314 1 8 . 1 1 97 97 GLY H H 97 8.196 8.196 8.401 -0.205 18218 4315 1 8 . 1 1 98 98 GLU N N 98 121.445 121.445 120.594 0.851 18218 4316 1 8 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.497 -0.232 18218 4317 1 8 . 1 1 98 98 GLU C C 98 172.987 172.987 175.728 -2.741 18218 4318 1 8 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.098 -2.821 18218 4319 1 8 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.069 -3.673 18218 4320 1 8 . 1 1 98 98 GLU H H 98 8.086 8.086 8.423 -0.337 18218 4321 1 9 . 1 1 2 2 SER N N 2 116.234 116.234 120.988 -4.754 18218 4322 1 9 . 1 1 2 2 SER HA H 2 4.828 4.828 4.889 -0.061 18218 4323 1 9 . 1 1 2 2 SER C C 2 171.696 171.696 172.930 -1.234 18218 4324 1 9 . 1 1 2 2 SER CA C 2 55.273 55.273 58.825 -3.552 18218 4325 1 9 . 1 1 2 2 SER CB C 2 60.624 60.624 63.750 -3.126 18218 4326 1 9 . 1 1 2 2 SER H H 2 7.958 7.958 8.651 -0.693 18218 4327 1 9 . 1 1 3 3 ALA N N 3 125.895 125.895 126.516 -0.621 18218 4328 1 9 . 1 1 3 3 ALA C C 3 174.633 174.633 175.160 -0.527 18218 4329 1 9 . 1 1 3 3 ALA CA C 3 49.719 49.719 51.323 -1.604 18218 4330 1 9 . 1 1 3 3 ALA CB C 3 15.512 15.512 20.524 -5.012 18218 4331 1 9 . 1 1 3 3 ALA H H 3 8.273 8.273 8.196 0.077 18218 4332 1 9 . 1 1 4 4 ASN N N 4 118.166 118.166 117.631 0.535 18218 4333 1 9 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.837 -0.237 18218 4334 1 9 . 1 1 4 4 ASN C C 4 172.089 172.089 174.236 -2.147 18218 4335 1 9 . 1 1 4 4 ASN CA C 4 50.269 50.269 52.983 -2.714 18218 4336 1 9 . 1 1 4 4 ASN CB C 4 35.571 35.571 39.032 -3.461 18218 4337 1 9 . 1 1 4 4 ASN H H 4 8.307 8.307 8.522 -0.215 18218 4338 1 9 . 1 1 5 5 ARG N N 5 121.553 121.553 123.902 -2.349 18218 4339 1 9 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.531 -0.362 18218 4340 1 9 . 1 1 5 5 ARG C C 5 173.013 173.013 175.236 -2.223 18218 4341 1 9 . 1 1 5 5 ARG CA C 5 52.814 52.814 55.289 -2.475 18218 4342 1 9 . 1 1 5 5 ARG CB C 5 27.218 27.218 32.467 -5.249 18218 4343 1 9 . 1 1 5 5 ARG H H 5 8.058 8.058 8.162 -0.104 18218 4344 1 9 . 1 1 6 6 ARG N N 6 122.689 122.689 118.300 4.389 18218 4345 1 9 . 1 1 6 6 ARG HA H 6 3.941 3.941 3.188 0.753 18218 4346 1 9 . 1 1 6 6 ARG C C 6 173.392 173.392 174.472 -1.080 18218 4347 1 9 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.339 -4.074 18218 4348 1 9 . 1 1 6 6 ARG CB C 6 26.206 26.206 28.259 -2.053 18218 4349 1 9 . 1 1 6 6 ARG H H 6 8.122 8.122 8.090 0.032 18218 4350 1 9 . 1 1 7 7 TRP N N 7 120.901 120.901 120.788 0.113 18218 4351 1 9 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.359 0.059 18218 4352 1 9 . 1 1 7 7 TRP C C 7 172.557 172.557 174.553 -1.996 18218 4353 1 9 . 1 1 7 7 TRP CA C 7 54.521 54.521 55.810 -1.289 18218 4354 1 9 . 1 1 7 7 TRP CB C 7 26.079 26.079 28.864 -2.785 18218 4355 1 9 . 1 1 7 7 TRP H H 7 7.585 7.585 7.102 0.483 18218 4356 1 9 . 1 1 8 8 TRP N N 8 118.192 118.192 126.845 -8.653 18218 4357 1 9 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.398 0.053 18218 4358 1 9 . 1 1 8 8 TRP C C 8 171.456 171.456 174.026 -2.570 18218 4359 1 9 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.336 -2.394 18218 4360 1 9 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.220 -3.710 18218 4361 1 9 . 1 1 8 8 TRP H H 8 6.811 6.811 7.724 -0.913 18218 4362 1 9 . 1 1 9 9 VAL N N 9 122.005 122.005 122.981 -0.976 18218 4363 1 9 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.449 -0.297 18218 4364 1 9 . 1 1 9 9 VAL C C 9 170.671 170.671 173.685 -3.014 18218 4365 1 9 . 1 1 9 9 VAL CA C 9 56.083 56.083 59.683 -3.600 18218 4366 1 9 . 1 1 9 9 VAL CB C 9 29.180 29.180 33.363 -4.183 18218 4367 1 9 . 1 1 9 9 VAL H H 9 6.949 6.949 8.166 -1.217 18218 4368 1 9 . 1 1 11 11 PRO CA C 11 60.332 60.332 63.348 -3.016 18218 4369 1 9 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.093 -2.710 18218 4370 1 9 . 1 1 12 12 ASP N N 12 119.443 119.443 118.957 0.486 18218 4371 1 9 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.464 0.060 18218 4372 1 9 . 1 1 12 12 ASP C C 12 174.215 174.215 175.101 -0.886 18218 4373 1 9 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.998 -3.572 18218 4374 1 9 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.242 -3.963 18218 4375 1 9 . 1 1 12 12 ASP H H 12 8.241 8.241 8.240 0.001 18218 4376 1 9 . 1 1 13 13 ASP N N 13 119.369 119.369 119.355 0.014 18218 4377 1 9 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.649 -0.069 18218 4378 1 9 . 1 1 13 13 ASP C C 13 175.379 175.379 174.627 0.752 18218 4379 1 9 . 1 1 13 13 ASP CA C 13 51.107 51.107 53.604 -2.497 18218 4380 1 9 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.258 -4.917 18218 4381 1 9 . 1 1 13 13 ASP H H 13 7.980 7.980 8.269 -0.289 18218 4382 1 9 . 1 1 14 14 GLU N N 14 121.036 121.036 120.584 0.452 18218 4383 1 9 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.205 -0.045 18218 4384 1 9 . 1 1 14 14 GLU C C 14 173.633 173.633 175.958 -2.325 18218 4385 1 9 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.725 -3.609 18218 4386 1 9 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.099 -3.893 18218 4387 1 9 . 1 1 14 14 GLU H H 14 8.197 8.197 8.356 -0.159 18218 4388 1 9 . 1 1 15 15 ASP N N 15 120.130 120.130 123.086 -2.956 18218 4389 1 9 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.856 -0.214 18218 4390 1 9 . 1 1 15 15 ASP C C 15 173.595 173.595 175.751 -2.156 18218 4391 1 9 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.716 -2.261 18218 4392 1 9 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.932 -5.463 18218 4393 1 9 . 1 1 15 15 ASP H H 15 8.308 8.308 8.300 0.008 18218 4394 1 9 . 1 1 16 16 CYS N N 16 118.700 118.700 118.538 0.162 18218 4395 1 9 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.631 -0.180 18218 4396 1 9 . 1 1 16 16 CYS CA C 16 55.736 55.736 58.690 -2.954 18218 4397 1 9 . 1 1 16 16 CYS CB C 16 24.687 24.687 29.359 -4.672 18218 4398 1 9 . 1 1 16 16 CYS H H 16 7.968 7.968 8.607 -0.639 18218 4399 1 9 . 1 1 17 17 VAL N N 17 123.275 123.275 116.314 6.961 18218 4400 1 9 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.177 -0.449 18218 4401 1 9 . 1 1 17 17 VAL C C 17 174.430 174.430 174.435 -0.005 18218 4402 1 9 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.531 -0.027 18218 4403 1 9 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.073 -4.842 18218 4404 1 9 . 1 1 17 17 VAL H H 17 8.550 8.550 7.966 0.584 18218 4405 1 9 . 1 1 18 18 SER N N 18 116.499 116.499 114.297 2.202 18218 4406 1 9 . 1 1 18 18 SER HA H 18 3.822 3.822 4.183 -0.361 18218 4407 1 9 . 1 1 18 18 SER CA C 18 58.484 58.484 58.841 -0.357 18218 4408 1 9 . 1 1 18 18 SER CB C 18 59.109 59.109 63.268 -4.159 18218 4409 1 9 . 1 1 18 18 SER H H 18 8.447 8.447 8.006 0.441 18218 4410 1 9 . 1 1 19 19 GLU N N 19 121.940 121.940 120.081 1.859 18218 4411 1 9 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.042 -0.032 18218 4412 1 9 . 1 1 19 19 GLU C C 19 175.544 175.544 178.138 -2.594 18218 4413 1 9 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.312 -3.692 18218 4414 1 9 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.461 -4.014 18218 4415 1 9 . 1 1 19 19 GLU H H 19 7.686 7.686 8.885 -1.199 18218 4416 1 9 . 1 1 20 20 LYS N N 20 119.855 119.855 121.782 -1.927 18218 4417 1 9 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.075 -0.155 18218 4418 1 9 . 1 1 20 20 LYS C C 20 173.696 173.696 178.622 -4.926 18218 4419 1 9 . 1 1 20 20 LYS CA C 20 56.054 56.054 58.839 -2.785 18218 4420 1 9 . 1 1 20 20 LYS CB C 20 28.927 28.927 31.937 -3.010 18218 4421 1 9 . 1 1 20 20 LYS H H 20 7.898 7.898 7.690 0.208 18218 4422 1 9 . 1 1 21 21 LEU N N 21 119.542 119.542 120.481 -0.939 18218 4423 1 9 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.032 0.009 18218 4424 1 9 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.747 -3.400 18218 4425 1 9 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.122 -2.704 18218 4426 1 9 . 1 1 21 21 LEU H H 21 8.056 8.056 7.902 0.154 18218 4427 1 9 . 1 1 22 22 LEU N N 22 120.384 120.384 119.994 0.390 18218 4428 1 9 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.948 0.102 18218 4429 1 9 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.154 -3.807 18218 4430 1 9 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.636 -3.724 18218 4431 1 9 . 1 1 22 22 LEU H H 22 8.097 8.097 8.395 -0.298 18218 4432 1 9 . 1 1 23 23 ARG N N 23 119.486 119.486 117.551 1.935 18218 4433 1 9 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.820 0.175 18218 4434 1 9 . 1 1 23 23 ARG C C 23 175.443 175.443 178.760 -3.317 18218 4435 1 9 . 1 1 23 23 ARG CA C 23 55.822 55.822 59.081 -3.259 18218 4436 1 9 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.065 -3.733 18218 4437 1 9 . 1 1 23 23 ARG H H 23 8.032 8.032 8.124 -0.092 18218 4438 1 9 . 1 1 24 24 LYS N N 24 119.009 119.009 118.540 0.469 18218 4439 1 9 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.077 0.063 18218 4440 1 9 . 1 1 24 24 LYS C C 24 175.633 175.633 177.596 -1.963 18218 4441 1 9 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.336 -3.612 18218 4442 1 9 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.692 -4.082 18218 4443 1 9 . 1 1 24 24 LYS H H 24 7.860 7.860 8.078 -0.218 18218 4444 1 9 . 1 1 25 25 THR N N 25 112.776 112.776 115.468 -2.692 18218 4445 1 9 . 1 1 25 25 THR HA H 25 4.005 4.005 4.481 -0.476 18218 4446 1 9 . 1 1 25 25 THR C C 25 172.646 172.646 172.886 -0.240 18218 4447 1 9 . 1 1 25 25 THR CA C 25 61.810 61.810 62.458 -0.648 18218 4448 1 9 . 1 1 25 25 THR CB C 25 65.753 65.753 69.891 -4.138 18218 4449 1 9 . 1 1 25 25 THR H H 25 7.867 7.867 8.267 -0.400 18218 4450 1 9 . 1 1 26 26 ARG N N 26 119.996 119.996 124.474 -4.478 18218 4451 1 9 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.520 -0.373 18218 4452 1 9 . 1 1 26 26 ARG C C 26 174.278 174.278 174.321 -0.043 18218 4453 1 9 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.517 -2.170 18218 4454 1 9 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.936 -3.908 18218 4455 1 9 . 1 1 26 26 ARG H H 26 7.765 7.765 8.681 -0.916 18218 4456 1 9 . 1 1 27 27 GLU N N 27 118.067 118.067 121.392 -3.325 18218 4457 1 9 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.482 -0.195 18218 4458 1 9 . 1 1 27 27 GLU C C 27 173.582 173.582 174.758 -1.176 18218 4459 1 9 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.077 -2.713 18218 4460 1 9 . 1 1 27 27 GLU CB C 27 26.206 26.206 31.611 -5.405 18218 4461 1 9 . 1 1 27 27 GLU H H 27 7.764 7.764 8.252 -0.488 18218 4462 1 9 . 1 1 28 28 SER N N 28 115.900 115.900 116.564 -0.664 18218 4463 1 9 . 1 1 28 28 SER HA H 28 4.740 4.740 4.377 0.363 18218 4464 1 9 . 1 1 28 28 SER C C 28 170.481 170.481 172.170 -1.689 18218 4465 1 9 . 1 1 28 28 SER CA C 28 53.132 53.132 58.039 -4.907 18218 4466 1 9 . 1 1 28 28 SER CB C 28 60.624 60.624 63.247 -2.623 18218 4467 1 9 . 1 1 28 28 SER H H 28 7.630 7.630 8.450 -0.820 18218 4468 1 9 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.671 -0.135 18218 4469 1 9 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.465 -2.174 18218 4470 1 9 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.511 -3.064 18218 4471 1 9 . 1 1 30 30 LEU N N 30 120.365 120.365 120.060 0.305 18218 4472 1 9 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.582 -0.373 18218 4473 1 9 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.820 -4.064 18218 4474 1 9 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.853 -2.929 18218 4475 1 9 . 1 1 30 30 LEU H H 30 8.034 8.034 8.267 -0.233 18218 4476 1 9 . 1 1 31 31 VAL N N 31 117.988 117.988 121.298 -3.310 18218 4477 1 9 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.818 0.415 18218 4478 1 9 . 1 1 31 31 VAL C C 31 171.899 171.899 175.751 -3.852 18218 4479 1 9 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.224 -10.637 18218 4480 1 9 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.522 -0.812 18218 4481 1 9 . 1 1 31 31 VAL H H 31 7.499 7.499 8.321 -0.822 18218 4482 1 9 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.298 0.239 18218 4483 1 9 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.737 -5.641 18218 4484 1 9 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.249 -3.499 18218 4485 1 9 . 1 1 33 33 ILE N N 33 121.507 121.507 118.944 2.563 18218 4486 1 9 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.688 0.231 18218 4487 1 9 . 1 1 33 33 ILE C C 33 173.025 173.025 177.886 -4.861 18218 4488 1 9 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.616 -4.744 18218 4489 1 9 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.914 -3.419 18218 4490 1 9 . 1 1 33 33 ILE H H 33 7.982 7.982 7.988 -0.006 18218 4491 1 9 . 1 1 34 34 GLY N N 34 111.381 111.381 107.243 4.138 18218 4492 1 9 . 1 1 34 34 GLY C C 34 172.987 172.987 175.887 -2.900 18218 4493 1 9 . 1 1 34 34 GLY CA C 34 43.008 43.008 47.006 -3.998 18218 4494 1 9 . 1 1 34 34 GLY H H 34 8.540 8.540 8.552 -0.012 18218 4495 1 9 . 1 1 35 35 LEU N N 35 122.626 122.626 123.874 -1.248 18218 4496 1 9 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.988 0.261 18218 4497 1 9 . 1 1 35 35 LEU C C 35 175.637 175.637 178.976 -3.339 18218 4498 1 9 . 1 1 35 35 LEU CA C 35 54.232 54.232 58.524 -4.292 18218 4499 1 9 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.629 -3.021 18218 4500 1 9 . 1 1 35 35 LEU H H 35 7.964 7.964 7.810 0.154 18218 4501 1 9 . 1 1 36 36 GLY N N 36 106.708 106.708 106.157 0.551 18218 4502 1 9 . 1 1 36 36 GLY C C 36 172.647 172.647 176.228 -3.581 18218 4503 1 9 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.276 -2.850 18218 4504 1 9 . 1 1 36 36 GLY H H 36 8.521 8.521 8.584 -0.063 18218 4505 1 9 . 1 1 37 37 GLY N N 37 108.586 108.586 108.647 -0.061 18218 4506 1 9 . 1 1 37 37 GLY C C 37 173.291 173.291 176.210 -2.919 18218 4507 1 9 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.831 -2.695 18218 4508 1 9 . 1 1 37 37 GLY H H 37 8.270 8.270 8.271 -0.001 18218 4509 1 9 . 1 1 38 38 CYS N N 38 119.678 119.678 121.110 -1.432 18218 4510 1 9 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.270 -0.026 18218 4511 1 9 . 1 1 38 38 CYS C C 38 174.215 174.215 176.700 -2.485 18218 4512 1 9 . 1 1 38 38 CYS CA C 38 59.236 59.236 64.263 -5.027 18218 4513 1 9 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.445 -4.087 18218 4514 1 9 . 1 1 38 38 CYS H H 38 7.836 7.836 7.988 -0.152 18218 4515 1 9 . 1 1 39 39 LEU N N 39 120.798 120.798 121.435 -0.637 18218 4516 1 9 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.064 0.049 18218 4517 1 9 . 1 1 39 39 LEU C C 39 175.506 175.506 178.830 -3.324 18218 4518 1 9 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.359 -3.491 18218 4519 1 9 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.927 -4.078 18218 4520 1 9 . 1 1 39 39 LEU H H 39 7.999 7.999 8.086 -0.087 18218 4521 1 9 . 1 1 40 40 VAL N N 40 118.510 118.510 120.032 -1.522 18218 4522 1 9 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.738 -0.142 18218 4523 1 9 . 1 1 40 40 VAL C C 40 174.544 174.544 177.539 -2.995 18218 4524 1 9 . 1 1 40 40 VAL CA C 40 63.719 63.719 67.665 -3.946 18218 4525 1 9 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.757 -3.843 18218 4526 1 9 . 1 1 40 40 VAL H H 40 7.803 7.803 8.106 -0.303 18218 4527 1 9 . 1 1 41 41 VAL N N 41 119.131 119.131 119.599 -0.468 18218 4528 1 9 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.637 0.055 18218 4529 1 9 . 1 1 41 41 VAL C C 41 175.924 175.924 177.600 -1.676 18218 4530 1 9 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.274 -2.815 18218 4531 1 9 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.538 -3.497 18218 4532 1 9 . 1 1 41 41 VAL H H 41 7.624 7.624 8.006 -0.382 18218 4533 1 9 . 1 1 42 42 ALA N N 42 122.172 122.172 121.213 0.959 18218 4534 1 9 . 1 1 42 42 ALA HA H 42 4.105 4.105 4.046 0.059 18218 4535 1 9 . 1 1 42 42 ALA C C 42 176.582 176.582 178.953 -2.371 18218 4536 1 9 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.415 -3.150 18218 4537 1 9 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.979 -3.099 18218 4538 1 9 . 1 1 42 42 ALA H H 42 8.008 8.008 8.664 -0.656 18218 4539 1 9 . 1 1 43 43 ALA N N 43 119.990 119.990 122.345 -2.355 18218 4540 1 9 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.047 -0.056 18218 4541 1 9 . 1 1 43 43 ALA C C 43 176.455 176.455 179.702 -3.247 18218 4542 1 9 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.038 -2.745 18218 4543 1 9 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.116 -3.236 18218 4544 1 9 . 1 1 43 43 ALA H H 43 8.400 8.400 7.892 0.508 18218 4545 1 9 . 1 1 44 44 TYR N N 44 118.221 118.221 118.487 -0.266 18218 4546 1 9 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.213 0.006 18218 4547 1 9 . 1 1 44 44 TYR C C 44 175.177 175.177 178.243 -3.066 18218 4548 1 9 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.567 -4.286 18218 4549 1 9 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.188 -3.566 18218 4550 1 9 . 1 1 44 44 TYR H H 44 8.345 8.345 8.391 -0.046 18218 4551 1 9 . 1 1 45 45 ARG N N 45 119.104 119.104 120.358 -1.254 18218 4552 1 9 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.947 -0.114 18218 4553 1 9 . 1 1 45 45 ARG C C 45 176.531 176.531 178.723 -2.192 18218 4554 1 9 . 1 1 45 45 ARG CA C 45 56.430 56.430 60.183 -3.753 18218 4555 1 9 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.144 -3.938 18218 4556 1 9 . 1 1 45 45 ARG H H 45 8.275 8.275 8.203 0.072 18218 4557 1 9 . 1 1 46 46 ILE N N 46 119.719 119.719 119.841 -0.122 18218 4558 1 9 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.567 0.134 18218 4559 1 9 . 1 1 46 46 ILE C C 46 174.873 174.873 177.935 -3.062 18218 4560 1 9 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.718 -4.284 18218 4561 1 9 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.696 -3.833 18218 4562 1 9 . 1 1 46 46 ILE H H 46 8.119 8.119 8.544 -0.425 18218 4563 1 9 . 1 1 47 47 TYR N N 47 121.419 121.419 118.654 2.765 18218 4564 1 9 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.999 -0.017 18218 4565 1 9 . 1 1 47 47 TYR C C 47 175.544 175.544 178.043 -2.499 18218 4566 1 9 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.796 -3.197 18218 4567 1 9 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.023 -3.148 18218 4568 1 9 . 1 1 47 47 TYR H H 47 8.383 8.383 8.073 0.310 18218 4569 1 9 . 1 1 48 48 ARG N N 48 118.278 118.278 118.203 0.075 18218 4570 1 9 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.976 -0.284 18218 4571 1 9 . 1 1 48 48 ARG C C 48 175.671 175.671 178.595 -2.924 18218 4572 1 9 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.961 -4.006 18218 4573 1 9 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.295 -4.342 18218 4574 1 9 . 1 1 48 48 ARG H H 48 8.074 8.074 8.169 -0.095 18218 4575 1 9 . 1 1 49 49 LEU N N 49 120.350 120.350 119.936 0.414 18218 4576 1 9 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.028 0.120 18218 4577 1 9 . 1 1 49 49 LEU C C 49 175.772 175.772 178.216 -2.444 18218 4578 1 9 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.697 -4.189 18218 4579 1 9 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.282 -3.801 18218 4580 1 9 . 1 1 49 49 LEU H H 49 7.744 7.744 8.194 -0.450 18218 4581 1 9 . 1 1 50 50 ARG N N 50 117.990 117.990 119.868 -1.878 18218 4582 1 9 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.038 0.116 18218 4583 1 9 . 1 1 50 50 ARG C C 50 174.139 174.139 174.856 -0.717 18218 4584 1 9 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.863 -3.805 18218 4585 1 9 . 1 1 50 50 ARG CB C 50 26.206 26.206 28.924 -2.718 18218 4586 1 9 . 1 1 50 50 ARG H H 50 7.686 7.686 8.085 -0.399 18218 4587 1 9 . 1 1 51 51 SER N N 51 115.124 115.124 117.737 -2.613 18218 4588 1 9 . 1 1 51 51 SER HA H 51 4.274 4.274 4.480 -0.206 18218 4589 1 9 . 1 1 51 51 SER C C 51 172.392 172.392 173.209 -0.817 18218 4590 1 9 . 1 1 51 51 SER CA C 51 56.112 56.112 57.608 -1.496 18218 4591 1 9 . 1 1 51 51 SER CB C 51 60.075 60.075 64.531 -4.456 18218 4592 1 9 . 1 1 51 51 SER H H 51 7.873 7.873 7.900 -0.027 18218 4593 1 9 . 1 1 52 52 ARG N N 52 122.132 122.132 122.218 -0.086 18218 4594 1 9 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.594 -0.318 18218 4595 1 9 . 1 1 52 52 ARG C C 52 174.316 174.316 176.681 -2.365 18218 4596 1 9 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.513 -2.091 18218 4597 1 9 . 1 1 52 52 ARG CB C 52 26.332 26.332 29.293 -2.961 18218 4598 1 9 . 1 1 52 52 ARG H H 52 7.923 7.923 8.561 -0.638 18218 4599 1 9 . 1 1 53 53 GLY N N 53 108.907 108.907 113.840 -4.933 18218 4600 1 9 . 1 1 53 53 GLY C C 53 171.405 171.405 174.047 -2.642 18218 4601 1 9 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.970 -2.511 18218 4602 1 9 . 1 1 53 53 GLY H H 53 8.142 8.142 8.597 -0.455 18218 4603 1 9 . 1 1 54 54 SER N N 54 115.609 115.609 114.013 1.596 18218 4604 1 9 . 1 1 54 54 SER HA H 54 4.470 4.470 4.535 -0.065 18218 4605 1 9 . 1 1 54 54 SER C C 54 172.367 172.367 173.692 -1.325 18218 4606 1 9 . 1 1 54 54 SER CA C 54 55.504 55.504 59.006 -3.502 18218 4607 1 9 . 1 1 54 54 SER CB C 54 60.537 60.537 64.131 -3.594 18218 4608 1 9 . 1 1 54 54 SER H H 54 8.042 8.042 8.446 -0.404 18218 4609 1 9 . 1 1 55 55 THR N N 55 117.148 117.148 112.954 4.194 18218 4610 1 9 . 1 1 55 55 THR HA H 55 4.244 4.244 4.310 -0.066 18218 4611 1 9 . 1 1 55 55 THR C C 55 171.785 171.785 173.255 -1.470 18218 4612 1 9 . 1 1 55 55 THR CA C 55 59.612 59.612 63.519 -3.907 18218 4613 1 9 . 1 1 55 55 THR CB C 55 66.322 66.322 69.775 -3.453 18218 4614 1 9 . 1 1 55 55 THR H H 55 8.123 8.123 7.727 0.396 18218 4615 1 9 . 1 1 56 56 LYS N N 56 123.462 123.462 121.418 2.044 18218 4616 1 9 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.514 -0.270 18218 4617 1 9 . 1 1 56 56 LYS C C 56 173.848 173.848 176.430 -2.582 18218 4618 1 9 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.923 -3.357 18218 4619 1 9 . 1 1 56 56 LYS CB C 56 29.117 29.117 32.267 -3.150 18218 4620 1 9 . 1 1 56 56 LYS H H 56 8.184 8.184 7.904 0.280 18218 4621 1 9 . 1 1 57 57 MET N N 57 121.145 121.145 120.276 0.869 18218 4622 1 9 . 1 1 57 57 MET HA H 57 4.425 4.425 4.076 0.349 18218 4623 1 9 . 1 1 57 57 MET C C 57 172.835 172.835 176.034 -3.199 18218 4624 1 9 . 1 1 57 57 MET CA C 57 52.930 52.930 57.104 -4.174 18218 4625 1 9 . 1 1 57 57 MET CB C 57 29.876 29.876 32.485 -2.609 18218 4626 1 9 . 1 1 57 57 MET H H 57 8.153 8.153 8.689 -0.536 18218 4627 1 9 . 1 1 58 58 SER N N 58 116.811 116.811 115.923 0.888 18218 4628 1 9 . 1 1 58 58 SER HA H 58 4.470 4.470 4.231 0.239 18218 4629 1 9 . 1 1 58 58 SER C C 58 171.620 171.620 174.201 -2.581 18218 4630 1 9 . 1 1 58 58 SER CA C 58 55.041 55.041 59.090 -4.049 18218 4631 1 9 . 1 1 58 58 SER CB C 58 60.653 60.653 63.132 -2.479 18218 4632 1 9 . 1 1 58 58 SER H H 58 7.895 7.895 8.557 -0.662 18218 4633 1 9 . 1 1 59 59 ILE N N 59 122.346 122.346 127.834 -5.488 18218 4634 1 9 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.254 -0.264 18218 4635 1 9 . 1 1 59 59 ILE C C 59 173.127 173.127 175.863 -2.736 18218 4636 1 9 . 1 1 59 59 ILE CA C 59 58.542 58.542 59.969 -1.427 18218 4637 1 9 . 1 1 59 59 ILE CB C 59 34.938 34.938 35.545 -0.607 18218 4638 1 9 . 1 1 59 59 ILE H H 59 8.110 8.110 8.720 -0.610 18218 4639 1 9 . 1 1 60 60 HIS N N 60 121.006 121.006 122.892 -1.886 18218 4640 1 9 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.229 -0.215 18218 4641 1 9 . 1 1 60 60 HIS C C 60 172.443 172.443 174.154 -1.711 18218 4642 1 9 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.679 -3.315 18218 4643 1 9 . 1 1 60 60 HIS CB C 60 25.510 25.510 27.999 -2.489 18218 4644 1 9 . 1 1 60 60 HIS H H 60 8.235 8.235 8.353 -0.118 18218 4645 1 9 . 1 1 61 61 LEU N N 61 120.472 120.472 119.077 1.395 18218 4646 1 9 . 1 1 61 61 LEU HA H 61 4.189 4.189 3.997 0.192 18218 4647 1 9 . 1 1 61 61 LEU CA C 61 53.190 53.190 56.007 -2.817 18218 4648 1 9 . 1 1 61 61 LEU CB C 61 38.864 38.864 41.753 -2.889 18218 4649 1 9 . 1 1 61 61 LEU H H 61 8.045 8.045 8.327 -0.282 18218 4650 1 9 . 1 1 62 62 ILE N N 62 117.281 117.281 120.302 -3.021 18218 4651 1 9 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.435 -0.538 18218 4652 1 9 . 1 1 62 62 ILE CA C 62 59.149 59.149 59.484 -0.335 18218 4653 1 9 . 1 1 62 62 ILE CB C 62 34.432 34.432 40.684 -6.252 18218 4654 1 9 . 1 1 62 62 ILE H H 62 7.555 7.555 8.063 -0.508 18218 4655 1 9 . 1 1 63 63 HIS N N 63 119.488 119.488 119.819 -0.331 18218 4656 1 9 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.336 0.301 18218 4657 1 9 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.189 -3.751 18218 4658 1 9 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.912 -4.782 18218 4659 1 9 . 1 1 63 63 HIS H H 63 8.179 8.179 8.682 -0.503 18218 4660 1 9 . 1 1 64 64 THR N N 64 112.132 112.132 118.280 -6.148 18218 4661 1 9 . 1 1 64 64 THR HA H 64 4.296 4.296 4.126 0.170 18218 4662 1 9 . 1 1 64 64 THR C C 64 175.063 175.063 174.936 0.127 18218 4663 1 9 . 1 1 64 64 THR CA C 64 58.802 58.802 62.444 -3.642 18218 4664 1 9 . 1 1 64 64 THR CB C 64 67.588 67.588 69.583 -1.995 18218 4665 1 9 . 1 1 64 64 THR H H 64 7.576 7.576 8.288 -0.712 18218 4666 1 9 . 1 1 65 65 ARG N N 65 123.493 123.493 124.626 -1.133 18218 4667 1 9 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.125 0.171 18218 4668 1 9 . 1 1 65 65 ARG C C 65 175.633 175.633 177.392 -1.759 18218 4669 1 9 . 1 1 65 65 ARG CA C 65 55.331 55.331 58.764 -3.433 18218 4670 1 9 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.326 -4.183 18218 4671 1 9 . 1 1 65 65 ARG H H 65 8.713 8.713 8.635 0.078 18218 4672 1 9 . 1 1 66 66 VAL N N 66 117.974 117.974 119.521 -1.547 18218 4673 1 9 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.595 0.403 18218 4674 1 9 . 1 1 66 66 VAL C C 66 174.215 174.215 177.682 -3.467 18218 4675 1 9 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.474 -4.780 18218 4676 1 9 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.310 -3.269 18218 4677 1 9 . 1 1 66 66 VAL H H 66 7.987 7.987 8.123 -0.136 18218 4678 1 9 . 1 1 67 67 ALA N N 67 123.016 123.016 121.226 1.790 18218 4679 1 9 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.748 0.252 18218 4680 1 9 . 1 1 67 67 ALA C C 67 175.367 175.367 179.273 -3.906 18218 4681 1 9 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.219 -3.099 18218 4682 1 9 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.918 -3.165 18218 4683 1 9 . 1 1 67 67 ALA H H 67 7.645 7.645 8.162 -0.517 18218 4684 1 9 . 1 1 68 68 ALA N N 68 120.682 120.682 120.357 0.325 18218 4685 1 9 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.811 0.368 18218 4686 1 9 . 1 1 68 68 ALA C C 68 178.354 178.354 179.757 -1.403 18218 4687 1 9 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.031 -2.882 18218 4688 1 9 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.935 -3.182 18218 4689 1 9 . 1 1 68 68 ALA H H 68 7.931 7.931 7.741 0.190 18218 4690 1 9 . 1 1 69 69 GLN N N 69 119.129 119.129 119.360 -0.231 18218 4691 1 9 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.883 0.393 18218 4692 1 9 . 1 1 69 69 GLN C C 69 175.430 175.430 178.285 -2.855 18218 4693 1 9 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.654 -3.381 18218 4694 1 9 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.248 -3.119 18218 4695 1 9 . 1 1 69 69 GLN H H 69 8.213 8.213 8.316 -0.103 18218 4696 1 9 . 1 1 70 70 ALA N N 70 122.065 122.065 120.884 1.181 18218 4697 1 9 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.860 0.140 18218 4698 1 9 . 1 1 70 70 ALA C C 70 176.734 176.734 179.027 -2.293 18218 4699 1 9 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.724 -2.575 18218 4700 1 9 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.662 -2.909 18218 4701 1 9 . 1 1 70 70 ALA H H 70 8.397 8.397 8.388 0.009 18218 4702 1 9 . 1 1 71 71 CYS N N 71 115.893 115.893 116.941 -1.048 18218 4703 1 9 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.997 0.056 18218 4704 1 9 . 1 1 71 71 CYS C C 71 173.696 173.696 176.737 -3.041 18218 4705 1 9 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.198 -2.747 18218 4706 1 9 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.443 -3.958 18218 4707 1 9 . 1 1 71 71 CYS H H 71 8.169 8.169 7.605 0.564 18218 4708 1 9 . 1 1 72 72 ALA N N 72 122.868 122.868 123.593 -0.725 18218 4709 1 9 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.949 0.311 18218 4710 1 9 . 1 1 72 72 ALA C C 72 177.886 177.886 179.365 -1.479 18218 4711 1 9 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.645 -3.612 18218 4712 1 9 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.925 -3.172 18218 4713 1 9 . 1 1 72 72 ALA H H 72 7.742 7.742 8.284 -0.542 18218 4714 1 9 . 1 1 73 73 VAL N N 73 118.066 118.066 118.238 -0.172 18218 4715 1 9 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.580 0.196 18218 4716 1 9 . 1 1 73 73 VAL C C 73 175.696 175.696 178.489 -2.793 18218 4717 1 9 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.404 -2.755 18218 4718 1 9 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.497 -2.393 18218 4719 1 9 . 1 1 73 73 VAL H H 73 8.050 8.050 8.173 -0.123 18218 4720 1 9 . 1 1 74 74 GLY N N 74 109.146 109.146 107.298 1.848 18218 4721 1 9 . 1 1 74 74 GLY C C 74 171.962 171.962 175.839 -3.877 18218 4722 1 9 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.471 -2.901 18218 4723 1 9 . 1 1 74 74 GLY H H 74 8.648 8.648 8.010 0.638 18218 4724 1 9 . 1 1 75 75 ALA N N 75 123.035 123.035 125.097 -2.062 18218 4725 1 9 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.993 0.096 18218 4726 1 9 . 1 1 75 75 ALA C C 75 178.253 178.253 179.433 -1.180 18218 4727 1 9 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.858 -2.420 18218 4728 1 9 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.355 -3.665 18218 4729 1 9 . 1 1 75 75 ALA H H 75 8.213 8.213 8.035 0.178 18218 4730 1 9 . 1 1 76 76 ILE N N 76 120.121 120.121 119.785 0.336 18218 4731 1 9 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.462 0.367 18218 4732 1 9 . 1 1 76 76 ILE C C 76 176.506 176.506 178.120 -1.614 18218 4733 1 9 . 1 1 76 76 ILE CA C 76 61.318 61.318 66.074 -4.756 18218 4734 1 9 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.919 -3.551 18218 4735 1 9 . 1 1 76 76 ILE H H 76 7.523 7.523 8.020 -0.497 18218 4736 1 9 . 1 1 77 77 MET N N 77 120.468 120.468 118.791 1.677 18218 4737 1 9 . 1 1 77 77 MET HA H 77 4.116 4.116 3.912 0.204 18218 4738 1 9 . 1 1 77 77 MET C C 77 175.038 175.038 178.347 -3.309 18218 4739 1 9 . 1 1 77 77 MET CA C 77 56.314 56.314 59.166 -2.852 18218 4740 1 9 . 1 1 77 77 MET CB C 77 34.242 34.242 32.497 1.745 18218 4741 1 9 . 1 1 77 77 MET H H 77 8.239 8.239 8.068 0.171 18218 4742 1 9 . 1 1 78 78 LEU N N 78 119.389 119.389 120.140 -0.751 18218 4743 1 9 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.804 0.160 18218 4744 1 9 . 1 1 78 78 LEU C C 78 176.202 176.202 178.482 -2.280 18218 4745 1 9 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.596 -3.728 18218 4746 1 9 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.694 -3.909 18218 4747 1 9 . 1 1 78 78 LEU H H 78 8.571 8.571 8.367 0.204 18218 4748 1 9 . 1 1 79 79 GLY N N 79 105.857 105.857 106.121 -0.264 18218 4749 1 9 . 1 1 79 79 GLY C C 79 173.861 173.861 175.783 -1.922 18218 4750 1 9 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.577 -3.325 18218 4751 1 9 . 1 1 79 79 GLY H H 79 8.006 8.006 8.609 -0.603 18218 4752 1 9 . 1 1 80 80 ALA N N 80 125.631 125.631 124.768 0.863 18218 4753 1 9 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.954 0.341 18218 4754 1 9 . 1 1 80 80 ALA C C 80 177.544 177.544 179.632 -2.088 18218 4755 1 9 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.006 -3.002 18218 4756 1 9 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.585 -3.895 18218 4757 1 9 . 1 1 80 80 ALA H H 80 7.971 7.971 7.980 -0.009 18218 4758 1 9 . 1 1 81 81 VAL N N 81 118.858 118.858 119.880 -1.022 18218 4759 1 9 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.547 0.193 18218 4760 1 9 . 1 1 81 81 VAL C C 81 174.974 174.974 177.633 -2.659 18218 4761 1 9 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.710 -4.396 18218 4762 1 9 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.660 -3.872 18218 4763 1 9 . 1 1 81 81 VAL H H 81 8.206 8.206 8.239 -0.033 18218 4764 1 9 . 1 1 82 82 TYR N N 82 121.151 121.151 119.361 1.790 18218 4765 1 9 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.989 0.288 18218 4766 1 9 . 1 1 82 82 TYR C C 82 176.038 176.038 178.252 -2.214 18218 4767 1 9 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.045 -3.243 18218 4768 1 9 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.205 -3.773 18218 4769 1 9 . 1 1 82 82 TYR H H 82 8.614 8.614 8.722 -0.108 18218 4770 1 9 . 1 1 83 83 THR N N 83 118.253 118.253 115.723 2.530 18218 4771 1 9 . 1 1 83 83 THR HA H 83 4.340 4.340 3.998 0.342 18218 4772 1 9 . 1 1 83 83 THR CA C 83 63.980 63.980 66.691 -2.711 18218 4773 1 9 . 1 1 83 83 THR CB C 83 65.437 65.437 68.601 -3.164 18218 4774 1 9 . 1 1 83 83 THR H H 83 8.361 8.361 8.419 -0.058 18218 4775 1 9 . 1 1 84 84 MET N N 84 121.616 121.616 121.671 -0.055 18218 4776 1 9 . 1 1 84 84 MET C C 84 175.949 175.949 178.019 -2.070 18218 4777 1 9 . 1 1 84 84 MET CA C 84 56.603 56.603 58.369 -1.766 18218 4778 1 9 . 1 1 84 84 MET CB C 84 29.180 29.180 32.038 -2.858 18218 4779 1 9 . 1 1 84 84 MET H H 84 8.053 8.053 8.197 -0.144 18218 4780 1 9 . 1 1 85 85 TYR N N 85 120.690 120.690 119.062 1.628 18218 4781 1 9 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.853 0.317 18218 4782 1 9 . 1 1 85 85 TYR C C 85 173.709 173.709 178.198 -4.489 18218 4783 1 9 . 1 1 85 85 TYR CA C 85 58.484 58.484 62.044 -3.560 18218 4784 1 9 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.018 -3.080 18218 4785 1 9 . 1 1 85 85 TYR H H 85 8.543 8.543 8.471 0.072 18218 4786 1 9 . 1 1 86 86 SER N N 86 115.536 115.536 112.987 2.549 18218 4787 1 9 . 1 1 86 86 SER HA H 86 3.802 3.802 3.976 -0.174 18218 4788 1 9 . 1 1 86 86 SER C C 86 174.709 174.709 177.154 -2.445 18218 4789 1 9 . 1 1 86 86 SER CA C 86 58.542 58.542 61.206 -2.663 18218 4790 1 9 . 1 1 86 86 SER CB C 86 59.243 59.243 62.806 -3.562 18218 4791 1 9 . 1 1 86 86 SER H H 86 8.422 8.422 8.083 0.339 18218 4792 1 9 . 1 1 87 87 ASP N N 87 121.132 121.132 122.411 -1.279 18218 4793 1 9 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.288 0.061 18218 4794 1 9 . 1 1 87 87 ASP C C 87 175.177 175.177 177.866 -2.689 18218 4795 1 9 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.876 -4.107 18218 4796 1 9 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.809 -4.479 18218 4797 1 9 . 1 1 87 87 ASP H H 87 8.295 8.295 7.912 0.383 18218 4798 1 9 . 1 1 88 88 TYR N N 88 122.430 122.430 118.033 4.397 18218 4799 1 9 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.111 0.005 18218 4800 1 9 . 1 1 88 88 TYR C C 88 174.772 174.772 176.135 -1.363 18218 4801 1 9 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.728 -2.186 18218 4802 1 9 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.602 -3.474 18218 4803 1 9 . 1 1 88 88 TYR H H 88 7.919 7.919 8.117 -0.198 18218 4804 1 9 . 1 1 89 89 VAL N N 89 118.321 118.321 119.004 -0.683 18218 4805 1 9 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.837 -0.411 18218 4806 1 9 . 1 1 89 89 VAL C C 89 176.101 176.101 176.321 -0.220 18218 4807 1 9 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.964 -1.170 18218 4808 1 9 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.067 -4.216 18218 4809 1 9 . 1 1 89 89 VAL H H 89 8.121 8.121 7.503 0.618 18218 4810 1 9 . 1 1 90 90 LYS N N 90 120.272 120.272 129.708 -9.436 18218 4811 1 9 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.228 -0.219 18218 4812 1 9 . 1 1 90 90 LYS C C 90 176.126 176.126 175.756 0.370 18218 4813 1 9 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.386 -0.535 18218 4814 1 9 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.247 -2.637 18218 4815 1 9 . 1 1 90 90 LYS H H 90 7.708 7.708 8.679 -0.971 18218 4816 1 9 . 1 1 91 91 ARG N N 91 119.904 119.904 122.225 -2.321 18218 4817 1 9 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.468 -0.440 18218 4818 1 9 . 1 1 91 91 ARG C C 91 175.544 175.544 174.807 0.737 18218 4819 1 9 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.134 -0.948 18218 4820 1 9 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.955 -4.686 18218 4821 1 9 . 1 1 91 91 ARG H H 91 7.685 7.685 8.125 -0.440 18218 4822 1 9 . 1 1 92 92 MET N N 92 118.654 118.654 120.767 -2.113 18218 4823 1 9 . 1 1 92 92 MET HA H 92 4.248 4.248 4.564 -0.316 18218 4824 1 9 . 1 1 92 92 MET C C 92 174.810 174.810 174.345 0.465 18218 4825 1 9 . 1 1 92 92 MET CA C 92 53.508 53.508 55.872 -2.364 18218 4826 1 9 . 1 1 92 92 MET CB C 92 26.016 26.016 34.375 -8.359 18218 4827 1 9 . 1 1 92 92 MET H H 92 7.790 7.790 7.955 -0.165 18218 4828 1 9 . 1 1 93 93 ALA N N 93 122.890 122.890 125.646 -2.756 18218 4829 1 9 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.521 -0.310 18218 4830 1 9 . 1 1 93 93 ALA C C 93 175.633 175.633 175.377 0.256 18218 4831 1 9 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.631 -2.709 18218 4832 1 9 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.605 -4.346 18218 4833 1 9 . 1 1 93 93 ALA H H 93 7.648 7.648 8.547 -0.899 18218 4834 1 9 . 1 1 94 94 GLN N N 94 119.315 119.315 118.866 0.449 18218 4835 1 9 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.337 -0.138 18218 4836 1 9 . 1 1 94 94 GLN C C 94 173.676 173.676 174.531 -0.855 18218 4837 1 9 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.757 -2.393 18218 4838 1 9 . 1 1 94 94 GLN CB C 94 25.890 25.890 30.261 -4.371 18218 4839 1 9 . 1 1 94 94 GLN H H 94 7.887 7.887 7.946 -0.059 18218 4840 1 9 . 1 1 95 95 ASP N N 95 121.546 121.546 119.493 2.053 18218 4841 1 9 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.354 0.206 18218 4842 1 9 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.539 -3.055 18218 4843 1 9 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.641 -2.919 18218 4844 1 9 . 1 1 95 95 ASP H H 95 8.199 8.199 8.389 -0.190 18218 4845 1 9 . 1 1 96 96 ALA N N 96 125.033 125.033 120.687 4.346 18218 4846 1 9 . 1 1 96 96 ALA HA H 96 4.255 4.255 3.947 0.308 18218 4847 1 9 . 1 1 96 96 ALA C C 96 175.645 175.645 176.926 -1.281 18218 4848 1 9 . 1 1 96 96 ALA CA C 96 49.777 49.777 53.747 -3.970 18218 4849 1 9 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.461 -2.885 18218 4850 1 9 . 1 1 96 96 ALA H H 96 8.062 8.062 8.522 -0.460 18218 4851 1 9 . 1 1 97 97 GLY N N 97 108.048 108.048 108.268 -0.220 18218 4852 1 9 . 1 1 97 97 GLY C C 97 171.418 171.418 171.879 -0.461 18218 4853 1 9 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.282 -3.142 18218 4854 1 9 . 1 1 97 97 GLY H H 97 8.196 8.196 8.090 0.106 18218 4855 1 9 . 1 1 98 98 GLU N N 98 121.445 121.445 122.299 -0.854 18218 4856 1 9 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.453 -0.188 18218 4857 1 9 . 1 1 98 98 GLU C C 98 172.987 172.987 175.612 -2.625 18218 4858 1 9 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.709 -2.433 18218 4859 1 9 . 1 1 98 98 GLU CB C 98 26.396 26.396 31.604 -5.208 18218 4860 1 9 . 1 1 98 98 GLU H H 98 8.086 8.086 8.282 -0.196 18218 4861 1 10 . 1 1 2 2 SER N N 2 116.234 116.234 116.734 -0.500 18218 4862 1 10 . 1 1 2 2 SER HA H 2 4.828 4.828 4.622 0.206 18218 4863 1 10 . 1 1 2 2 SER C C 2 171.696 171.696 173.477 -1.781 18218 4864 1 10 . 1 1 2 2 SER CA C 2 55.273 55.273 57.596 -2.323 18218 4865 1 10 . 1 1 2 2 SER CB C 2 60.624 60.624 64.674 -4.050 18218 4866 1 10 . 1 1 2 2 SER H H 2 7.958 7.958 8.080 -0.122 18218 4867 1 10 . 1 1 3 3 ALA N N 3 125.895 125.895 125.762 0.133 18218 4868 1 10 . 1 1 3 3 ALA C C 3 174.633 174.633 177.342 -2.709 18218 4869 1 10 . 1 1 3 3 ALA CA C 3 49.719 49.719 51.795 -2.076 18218 4870 1 10 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.470 -3.958 18218 4871 1 10 . 1 1 3 3 ALA H H 3 8.273 8.273 8.374 -0.101 18218 4872 1 10 . 1 1 4 4 ASN N N 4 118.166 118.166 119.045 -0.879 18218 4873 1 10 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.600 0.000 18218 4874 1 10 . 1 1 4 4 ASN C C 4 172.089 172.089 175.331 -3.242 18218 4875 1 10 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.297 -3.028 18218 4876 1 10 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.476 -2.905 18218 4877 1 10 . 1 1 4 4 ASN H H 4 8.307 8.307 8.566 -0.259 18218 4878 1 10 . 1 1 5 5 ARG N N 5 121.553 121.553 125.203 -3.650 18218 4879 1 10 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.323 -0.154 18218 4880 1 10 . 1 1 5 5 ARG C C 5 173.013 173.013 177.009 -3.996 18218 4881 1 10 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.424 -3.610 18218 4882 1 10 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.413 -4.196 18218 4883 1 10 . 1 1 5 5 ARG H H 5 8.058 8.058 8.408 -0.350 18218 4884 1 10 . 1 1 6 6 ARG N N 6 122.689 122.689 125.634 -2.945 18218 4885 1 10 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.378 -0.437 18218 4886 1 10 . 1 1 6 6 ARG C C 6 173.392 173.392 175.814 -2.422 18218 4887 1 10 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.593 -4.328 18218 4888 1 10 . 1 1 6 6 ARG CB C 6 26.206 26.206 28.326 -2.120 18218 4889 1 10 . 1 1 6 6 ARG H H 6 8.122 8.122 8.952 -0.830 18218 4890 1 10 . 1 1 7 7 TRP N N 7 120.901 120.901 120.825 0.076 18218 4891 1 10 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.391 0.027 18218 4892 1 10 . 1 1 7 7 TRP C C 7 172.557 172.557 175.487 -2.930 18218 4893 1 10 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.419 -2.898 18218 4894 1 10 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.551 -3.472 18218 4895 1 10 . 1 1 7 7 TRP H H 7 7.585 7.585 8.161 -0.576 18218 4896 1 10 . 1 1 8 8 TRP N N 8 118.192 118.192 123.038 -4.846 18218 4897 1 10 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.770 -0.319 18218 4898 1 10 . 1 1 8 8 TRP C C 8 171.456 171.456 175.917 -4.461 18218 4899 1 10 . 1 1 8 8 TRP CA C 8 53.942 53.942 57.185 -3.243 18218 4900 1 10 . 1 1 8 8 TRP CB C 8 25.510 25.510 30.534 -5.024 18218 4901 1 10 . 1 1 8 8 TRP H H 8 6.811 6.811 8.061 -1.250 18218 4902 1 10 . 1 1 9 9 VAL N N 9 122.005 122.005 122.586 -0.581 18218 4903 1 10 . 1 1 9 9 VAL HA H 9 4.152 4.152 3.560 0.592 18218 4904 1 10 . 1 1 9 9 VAL C C 9 170.671 170.671 174.016 -3.345 18218 4905 1 10 . 1 1 9 9 VAL CA C 9 56.083 56.083 61.979 -5.896 18218 4906 1 10 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.347 -2.167 18218 4907 1 10 . 1 1 9 9 VAL H H 9 6.949 6.949 7.587 -0.638 18218 4908 1 10 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.814 -2.482 18218 4909 1 10 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.624 -3.241 18218 4910 1 10 . 1 1 12 12 ASP N N 12 119.443 119.443 118.563 0.880 18218 4911 1 10 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.735 -0.211 18218 4912 1 10 . 1 1 12 12 ASP C C 12 174.215 174.215 175.363 -1.148 18218 4913 1 10 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.195 -2.769 18218 4914 1 10 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.699 -4.420 18218 4915 1 10 . 1 1 12 12 ASP H H 12 8.241 8.241 8.269 -0.028 18218 4916 1 10 . 1 1 13 13 ASP N N 13 119.369 119.369 122.471 -3.102 18218 4917 1 10 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.577 0.003 18218 4918 1 10 . 1 1 13 13 ASP C C 13 175.379 175.379 176.889 -1.510 18218 4919 1 10 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.090 -3.983 18218 4920 1 10 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.366 -4.024 18218 4921 1 10 . 1 1 13 13 ASP H H 13 7.980 7.980 8.378 -0.398 18218 4922 1 10 . 1 1 14 14 GLU N N 14 121.036 121.036 120.484 0.552 18218 4923 1 10 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.534 -0.374 18218 4924 1 10 . 1 1 14 14 GLU C C 14 173.633 173.633 174.754 -1.121 18218 4925 1 10 . 1 1 14 14 GLU CA C 14 54.116 54.116 55.340 -1.224 18218 4926 1 10 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.661 -3.455 18218 4927 1 10 . 1 1 14 14 GLU H H 14 8.197 8.197 8.395 -0.198 18218 4928 1 10 . 1 1 15 15 ASP N N 15 120.130 120.130 123.389 -3.259 18218 4929 1 10 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.459 0.183 18218 4930 1 10 . 1 1 15 15 ASP C C 15 173.595 173.595 175.372 -1.777 18218 4931 1 10 . 1 1 15 15 ASP CA C 15 51.455 51.455 55.755 -4.300 18218 4932 1 10 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.194 -2.725 18218 4933 1 10 . 1 1 15 15 ASP H H 15 8.308 8.308 8.640 -0.332 18218 4934 1 10 . 1 1 16 16 CYS N N 16 118.700 118.700 121.954 -3.254 18218 4935 1 10 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.487 -0.036 18218 4936 1 10 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.724 -3.989 18218 4937 1 10 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.669 -3.982 18218 4938 1 10 . 1 1 16 16 CYS H H 16 7.968 7.968 8.243 -0.275 18218 4939 1 10 . 1 1 17 17 VAL N N 17 123.275 123.275 119.288 3.987 18218 4940 1 10 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.240 -0.512 18218 4941 1 10 . 1 1 17 17 VAL C C 17 174.430 174.430 175.163 -0.733 18218 4942 1 10 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.377 0.127 18218 4943 1 10 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.662 -4.431 18218 4944 1 10 . 1 1 17 17 VAL H H 17 8.550 8.550 8.428 0.122 18218 4945 1 10 . 1 1 18 18 SER N N 18 116.499 116.499 113.965 2.534 18218 4946 1 10 . 1 1 18 18 SER HA H 18 3.822 3.822 4.145 -0.323 18218 4947 1 10 . 1 1 18 18 SER CA C 18 58.484 58.484 59.541 -1.056 18218 4948 1 10 . 1 1 18 18 SER CB C 18 59.109 59.109 63.028 -3.919 18218 4949 1 10 . 1 1 18 18 SER H H 18 8.447 8.447 8.109 0.338 18218 4950 1 10 . 1 1 19 19 GLU N N 19 121.940 121.940 122.084 -0.144 18218 4951 1 10 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.957 0.053 18218 4952 1 10 . 1 1 19 19 GLU C C 19 175.544 175.544 178.701 -3.157 18218 4953 1 10 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.690 -4.070 18218 4954 1 10 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.539 -4.092 18218 4955 1 10 . 1 1 19 19 GLU H H 19 7.686 7.686 8.890 -1.204 18218 4956 1 10 . 1 1 20 20 LYS N N 20 119.855 119.855 120.347 -0.492 18218 4957 1 10 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.039 -0.119 18218 4958 1 10 . 1 1 20 20 LYS C C 20 173.696 173.696 179.056 -5.360 18218 4959 1 10 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.603 -3.549 18218 4960 1 10 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.020 -3.093 18218 4961 1 10 . 1 1 20 20 LYS H H 20 7.898 7.898 7.940 -0.042 18218 4962 1 10 . 1 1 21 21 LEU N N 21 119.542 119.542 120.469 -0.927 18218 4963 1 10 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.043 -0.002 18218 4964 1 10 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.802 -3.455 18218 4965 1 10 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.319 -2.901 18218 4966 1 10 . 1 1 21 21 LEU H H 21 8.056 8.056 8.022 0.034 18218 4967 1 10 . 1 1 22 22 LEU N N 22 120.384 120.384 119.333 1.051 18218 4968 1 10 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.796 0.254 18218 4969 1 10 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.052 -3.705 18218 4970 1 10 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.820 -3.908 18218 4971 1 10 . 1 1 22 22 LEU H H 22 8.097 8.097 8.594 -0.497 18218 4972 1 10 . 1 1 23 23 ARG N N 23 119.486 119.486 116.641 2.845 18218 4973 1 10 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.025 -0.030 18218 4974 1 10 . 1 1 23 23 ARG C C 23 175.443 175.443 178.014 -2.571 18218 4975 1 10 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.456 -2.634 18218 4976 1 10 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.533 -4.201 18218 4977 1 10 . 1 1 23 23 ARG H H 23 8.032 8.032 7.951 0.081 18218 4978 1 10 . 1 1 24 24 LYS N N 24 119.009 119.009 118.903 0.106 18218 4979 1 10 . 1 1 24 24 LYS HA H 24 4.140 4.140 3.995 0.145 18218 4980 1 10 . 1 1 24 24 LYS C C 24 175.633 175.633 177.599 -1.966 18218 4981 1 10 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.813 -4.090 18218 4982 1 10 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.570 -3.960 18218 4983 1 10 . 1 1 24 24 LYS H H 24 7.860 7.860 7.993 -0.133 18218 4984 1 10 . 1 1 25 25 THR N N 25 112.776 112.776 116.876 -4.100 18218 4985 1 10 . 1 1 25 25 THR HA H 25 4.005 4.005 4.061 -0.056 18218 4986 1 10 . 1 1 25 25 THR C C 25 172.646 172.646 174.799 -2.153 18218 4987 1 10 . 1 1 25 25 THR CA C 25 61.810 61.810 63.542 -1.732 18218 4988 1 10 . 1 1 25 25 THR CB C 25 65.753 65.753 68.887 -3.134 18218 4989 1 10 . 1 1 25 25 THR H H 25 7.867 7.867 8.034 -0.167 18218 4990 1 10 . 1 1 26 26 ARG N N 26 119.996 119.996 124.664 -4.668 18218 4991 1 10 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.201 -0.054 18218 4992 1 10 . 1 1 26 26 ARG C C 26 174.278 174.278 176.640 -2.362 18218 4993 1 10 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.806 -2.459 18218 4994 1 10 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.848 -3.820 18218 4995 1 10 . 1 1 26 26 ARG H H 26 7.765 7.765 8.289 -0.524 18218 4996 1 10 . 1 1 27 27 GLU N N 27 118.067 118.067 120.153 -2.086 18218 4997 1 10 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.309 -0.022 18218 4998 1 10 . 1 1 27 27 GLU C C 27 173.582 173.582 176.378 -2.796 18218 4999 1 10 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.848 -3.484 18218 5000 1 10 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.551 -4.345 18218 5001 1 10 . 1 1 27 27 GLU H H 27 7.764 7.764 8.589 -0.825 18218 5002 1 10 . 1 1 28 28 SER N N 28 115.900 115.900 115.482 0.418 18218 5003 1 10 . 1 1 28 28 SER HA H 28 4.740 4.740 4.370 0.370 18218 5004 1 10 . 1 1 28 28 SER C C 28 170.481 170.481 172.149 -1.668 18218 5005 1 10 . 1 1 28 28 SER CA C 28 53.132 53.132 57.801 -4.669 18218 5006 1 10 . 1 1 28 28 SER CB C 28 60.624 60.624 62.394 -1.770 18218 5007 1 10 . 1 1 28 28 SER H H 28 7.630 7.630 8.400 -0.770 18218 5008 1 10 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.664 -0.128 18218 5009 1 10 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.360 -2.069 18218 5010 1 10 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.068 -2.621 18218 5011 1 10 . 1 1 30 30 LEU N N 30 120.365 120.365 117.323 3.042 18218 5012 1 10 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.548 -0.339 18218 5013 1 10 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.048 -4.292 18218 5014 1 10 . 1 1 30 30 LEU CB C 30 38.924 38.924 40.949 -2.025 18218 5015 1 10 . 1 1 30 30 LEU H H 30 8.034 8.034 8.355 -0.321 18218 5016 1 10 . 1 1 31 31 VAL N N 31 117.988 117.988 122.337 -4.349 18218 5017 1 10 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.930 0.303 18218 5018 1 10 . 1 1 31 31 VAL C C 31 171.899 171.899 175.799 -3.900 18218 5019 1 10 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.966 -10.379 18218 5020 1 10 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.110 -0.400 18218 5021 1 10 . 1 1 31 31 VAL H H 31 7.499 7.499 8.526 -1.027 18218 5022 1 10 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.340 0.197 18218 5023 1 10 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.825 -5.729 18218 5024 1 10 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.249 -3.499 18218 5025 1 10 . 1 1 33 33 ILE N N 33 121.507 121.507 118.940 2.567 18218 5026 1 10 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.597 0.322 18218 5027 1 10 . 1 1 33 33 ILE C C 33 173.025 173.025 178.285 -5.260 18218 5028 1 10 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.852 -4.980 18218 5029 1 10 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.533 -3.038 18218 5030 1 10 . 1 1 33 33 ILE H H 33 7.982 7.982 7.938 0.044 18218 5031 1 10 . 1 1 34 34 GLY N N 34 111.381 111.381 107.380 4.001 18218 5032 1 10 . 1 1 34 34 GLY C C 34 172.987 172.987 175.779 -2.792 18218 5033 1 10 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.925 -3.917 18218 5034 1 10 . 1 1 34 34 GLY H H 34 8.540 8.540 8.675 -0.135 18218 5035 1 10 . 1 1 35 35 LEU N N 35 122.626 122.626 123.446 -0.820 18218 5036 1 10 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.889 0.360 18218 5037 1 10 . 1 1 35 35 LEU C C 35 175.637 175.637 178.994 -3.357 18218 5038 1 10 . 1 1 35 35 LEU CA C 35 54.232 54.232 58.203 -3.971 18218 5039 1 10 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.750 -3.142 18218 5040 1 10 . 1 1 35 35 LEU H H 35 7.964 7.964 7.784 0.180 18218 5041 1 10 . 1 1 36 36 GLY N N 36 106.708 106.708 106.014 0.694 18218 5042 1 10 . 1 1 36 36 GLY C C 36 172.647 172.647 176.148 -3.501 18218 5043 1 10 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.255 -2.829 18218 5044 1 10 . 1 1 36 36 GLY H H 36 8.521 8.521 8.570 -0.049 18218 5045 1 10 . 1 1 37 37 GLY N N 37 108.586 108.586 108.874 -0.288 18218 5046 1 10 . 1 1 37 37 GLY C C 37 173.291 173.291 175.717 -2.426 18218 5047 1 10 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.743 -2.607 18218 5048 1 10 . 1 1 37 37 GLY H H 37 8.270 8.270 8.248 0.022 18218 5049 1 10 . 1 1 38 38 CYS N N 38 119.678 119.678 121.424 -1.746 18218 5050 1 10 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.218 0.026 18218 5051 1 10 . 1 1 38 38 CYS C C 38 174.215 174.215 176.119 -1.904 18218 5052 1 10 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.923 -3.687 18218 5053 1 10 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.685 -4.326 18218 5054 1 10 . 1 1 38 38 CYS H H 38 7.836 7.836 8.173 -0.337 18218 5055 1 10 . 1 1 39 39 LEU N N 39 120.798 120.798 121.034 -0.236 18218 5056 1 10 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.925 0.188 18218 5057 1 10 . 1 1 39 39 LEU C C 39 175.506 175.506 178.970 -3.464 18218 5058 1 10 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.068 -3.200 18218 5059 1 10 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.070 -4.221 18218 5060 1 10 . 1 1 39 39 LEU H H 39 7.999 7.999 8.077 -0.078 18218 5061 1 10 . 1 1 40 40 VAL N N 40 118.510 118.510 119.723 -1.213 18218 5062 1 10 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.674 -0.078 18218 5063 1 10 . 1 1 40 40 VAL C C 40 174.544 174.544 177.379 -2.835 18218 5064 1 10 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.817 -3.098 18218 5065 1 10 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.551 -3.637 18218 5066 1 10 . 1 1 40 40 VAL H H 40 7.803 7.803 8.071 -0.268 18218 5067 1 10 . 1 1 41 41 VAL N N 41 119.131 119.131 119.789 -0.658 18218 5068 1 10 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.467 0.225 18218 5069 1 10 . 1 1 41 41 VAL C C 41 175.924 175.924 177.512 -1.588 18218 5070 1 10 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.506 -3.047 18218 5071 1 10 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.546 -3.505 18218 5072 1 10 . 1 1 41 41 VAL H H 41 7.624 7.624 7.899 -0.275 18218 5073 1 10 . 1 1 42 42 ALA N N 42 122.172 122.172 120.858 1.314 18218 5074 1 10 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.897 0.208 18218 5075 1 10 . 1 1 42 42 ALA C C 42 176.582 176.582 179.018 -2.436 18218 5076 1 10 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.554 -3.289 18218 5077 1 10 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.770 -2.890 18218 5078 1 10 . 1 1 42 42 ALA H H 42 8.008 8.008 8.654 -0.646 18218 5079 1 10 . 1 1 43 43 ALA N N 43 119.990 119.990 121.674 -1.684 18218 5080 1 10 . 1 1 43 43 ALA HA H 43 3.991 3.991 3.999 -0.008 18218 5081 1 10 . 1 1 43 43 ALA C C 43 176.455 176.455 179.717 -3.262 18218 5082 1 10 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.919 -2.626 18218 5083 1 10 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.061 -3.181 18218 5084 1 10 . 1 1 43 43 ALA H H 43 8.400 8.400 7.649 0.751 18218 5085 1 10 . 1 1 44 44 TYR N N 44 118.221 118.221 119.551 -1.330 18218 5086 1 10 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.155 0.064 18218 5087 1 10 . 1 1 44 44 TYR C C 44 175.177 175.177 177.920 -2.743 18218 5088 1 10 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.016 -3.735 18218 5089 1 10 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.483 -3.861 18218 5090 1 10 . 1 1 44 44 TYR H H 44 8.345 8.345 8.140 0.205 18218 5091 1 10 . 1 1 45 45 ARG N N 45 119.104 119.104 119.867 -0.763 18218 5092 1 10 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.956 -0.123 18218 5093 1 10 . 1 1 45 45 ARG C C 45 176.531 176.531 178.850 -2.319 18218 5094 1 10 . 1 1 45 45 ARG CA C 45 56.430 56.430 60.087 -3.656 18218 5095 1 10 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.029 -3.823 18218 5096 1 10 . 1 1 45 45 ARG H H 45 8.275 8.275 8.536 -0.261 18218 5097 1 10 . 1 1 46 46 ILE N N 46 119.719 119.719 119.858 -0.139 18218 5098 1 10 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.839 -0.138 18218 5099 1 10 . 1 1 46 46 ILE C C 46 174.873 174.873 177.481 -2.608 18218 5100 1 10 . 1 1 46 46 ILE CA C 46 61.434 61.434 63.731 -2.297 18218 5101 1 10 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.337 -3.474 18218 5102 1 10 . 1 1 46 46 ILE H H 46 8.119 8.119 8.213 -0.094 18218 5103 1 10 . 1 1 47 47 TYR N N 47 121.419 121.419 121.013 0.406 18218 5104 1 10 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.997 -0.015 18218 5105 1 10 . 1 1 47 47 TYR C C 47 175.544 175.544 176.888 -1.344 18218 5106 1 10 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.463 -2.864 18218 5107 1 10 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.221 -3.345 18218 5108 1 10 . 1 1 47 47 TYR H H 47 8.383 8.383 8.137 0.246 18218 5109 1 10 . 1 1 48 48 ARG N N 48 118.278 118.278 117.415 0.863 18218 5110 1 10 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.970 -0.278 18218 5111 1 10 . 1 1 48 48 ARG C C 48 175.671 175.671 177.809 -2.138 18218 5112 1 10 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.336 -3.381 18218 5113 1 10 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.825 -4.872 18218 5114 1 10 . 1 1 48 48 ARG H H 48 8.074 8.074 8.119 -0.045 18218 5115 1 10 . 1 1 49 49 LEU N N 49 120.350 120.350 119.282 1.068 18218 5116 1 10 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.014 0.134 18218 5117 1 10 . 1 1 49 49 LEU C C 49 175.772 175.772 177.912 -2.140 18218 5118 1 10 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.544 -4.036 18218 5119 1 10 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.330 -3.849 18218 5120 1 10 . 1 1 49 49 LEU H H 49 7.744 7.744 8.124 -0.380 18218 5121 1 10 . 1 1 50 50 ARG N N 50 117.990 117.990 117.948 0.042 18218 5122 1 10 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.221 -0.067 18218 5123 1 10 . 1 1 50 50 ARG C C 50 174.139 174.139 174.910 -0.771 18218 5124 1 10 . 1 1 50 50 ARG CA C 50 54.058 54.058 56.938 -2.880 18218 5125 1 10 . 1 1 50 50 ARG CB C 50 26.206 26.206 31.017 -4.811 18218 5126 1 10 . 1 1 50 50 ARG H H 50 7.686 7.686 7.776 -0.090 18218 5127 1 10 . 1 1 51 51 SER N N 51 115.124 115.124 114.388 0.736 18218 5128 1 10 . 1 1 51 51 SER HA H 51 4.274 4.274 4.117 0.157 18218 5129 1 10 . 1 1 51 51 SER C C 51 172.392 172.392 172.428 -0.036 18218 5130 1 10 . 1 1 51 51 SER CA C 51 56.112 56.112 58.986 -2.874 18218 5131 1 10 . 1 1 51 51 SER CB C 51 60.075 60.075 63.595 -3.520 18218 5132 1 10 . 1 1 51 51 SER H H 51 7.873 7.873 8.382 -0.509 18218 5133 1 10 . 1 1 52 52 ARG N N 52 122.132 122.132 123.498 -1.366 18218 5134 1 10 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.415 -0.139 18218 5135 1 10 . 1 1 52 52 ARG C C 52 174.316 174.316 175.358 -1.042 18218 5136 1 10 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.636 -2.215 18218 5137 1 10 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.880 -5.548 18218 5138 1 10 . 1 1 52 52 ARG H H 52 7.923 7.923 8.523 -0.600 18218 5139 1 10 . 1 1 53 53 GLY N N 53 108.907 108.907 112.316 -3.409 18218 5140 1 10 . 1 1 53 53 GLY C C 53 171.405 171.405 173.562 -2.157 18218 5141 1 10 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.355 -2.896 18218 5142 1 10 . 1 1 53 53 GLY H H 53 8.142 8.142 8.501 -0.359 18218 5143 1 10 . 1 1 54 54 SER N N 54 115.609 115.609 116.623 -1.014 18218 5144 1 10 . 1 1 54 54 SER HA H 54 4.470 4.470 4.033 0.437 18218 5145 1 10 . 1 1 54 54 SER C C 54 172.367 172.367 174.941 -2.574 18218 5146 1 10 . 1 1 54 54 SER CA C 54 55.504 55.504 59.019 -3.515 18218 5147 1 10 . 1 1 54 54 SER CB C 54 60.537 60.537 62.943 -2.406 18218 5148 1 10 . 1 1 54 54 SER H H 54 8.042 8.042 8.416 -0.374 18218 5149 1 10 . 1 1 55 55 THR N N 55 117.148 117.148 116.628 0.520 18218 5150 1 10 . 1 1 55 55 THR HA H 55 4.244 4.244 3.705 0.539 18218 5151 1 10 . 1 1 55 55 THR C C 55 171.785 171.785 175.046 -3.261 18218 5152 1 10 . 1 1 55 55 THR CA C 55 59.612 59.612 65.867 -6.255 18218 5153 1 10 . 1 1 55 55 THR CB C 55 66.322 66.322 67.858 -1.536 18218 5154 1 10 . 1 1 55 55 THR H H 55 8.123 8.123 8.831 -0.708 18218 5155 1 10 . 1 1 56 56 LYS N N 56 123.462 123.462 120.942 2.520 18218 5156 1 10 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.128 0.116 18218 5157 1 10 . 1 1 56 56 LYS C C 56 173.848 173.848 176.412 -2.564 18218 5158 1 10 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.910 -4.343 18218 5159 1 10 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.288 -4.171 18218 5160 1 10 . 1 1 56 56 LYS H H 56 8.184 8.184 8.374 -0.190 18218 5161 1 10 . 1 1 57 57 MET N N 57 121.145 121.145 117.031 4.114 18218 5162 1 10 . 1 1 57 57 MET HA H 57 4.425 4.425 4.366 0.059 18218 5163 1 10 . 1 1 57 57 MET C C 57 172.835 172.835 173.835 -1.000 18218 5164 1 10 . 1 1 57 57 MET CA C 57 52.930 52.930 55.545 -2.615 18218 5165 1 10 . 1 1 57 57 MET CB C 57 29.876 29.876 33.813 -3.937 18218 5166 1 10 . 1 1 57 57 MET H H 57 8.153 8.153 7.241 0.912 18218 5167 1 10 . 1 1 58 58 SER N N 58 116.811 116.811 121.621 -4.810 18218 5168 1 10 . 1 1 58 58 SER HA H 58 4.470 4.470 4.504 -0.034 18218 5169 1 10 . 1 1 58 58 SER C C 58 171.620 171.620 174.047 -2.427 18218 5170 1 10 . 1 1 58 58 SER CA C 58 55.041 55.041 59.153 -4.112 18218 5171 1 10 . 1 1 58 58 SER CB C 58 60.653 60.653 64.298 -3.645 18218 5172 1 10 . 1 1 58 58 SER H H 58 7.895 7.895 8.630 -0.735 18218 5173 1 10 . 1 1 59 59 ILE N N 59 122.346 122.346 115.996 6.350 18218 5174 1 10 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.389 -0.400 18218 5175 1 10 . 1 1 59 59 ILE C C 59 173.127 173.127 175.666 -2.539 18218 5176 1 10 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.038 -2.496 18218 5177 1 10 . 1 1 59 59 ILE CB C 59 34.938 34.938 39.001 -4.063 18218 5178 1 10 . 1 1 59 59 ILE H H 59 8.110 8.110 7.645 0.465 18218 5179 1 10 . 1 1 60 60 HIS N N 60 121.006 121.006 118.744 2.262 18218 5180 1 10 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.318 -0.304 18218 5181 1 10 . 1 1 60 60 HIS C C 60 172.443 172.443 174.668 -2.225 18218 5182 1 10 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.444 -3.080 18218 5183 1 10 . 1 1 60 60 HIS CB C 60 25.510 25.510 29.757 -4.247 18218 5184 1 10 . 1 1 60 60 HIS H H 60 8.235 8.235 8.140 0.095 18218 5185 1 10 . 1 1 61 61 LEU N N 61 120.472 120.472 117.667 2.805 18218 5186 1 10 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.127 0.062 18218 5187 1 10 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.661 -2.471 18218 5188 1 10 . 1 1 61 61 LEU CB C 61 38.864 38.864 41.543 -2.679 18218 5189 1 10 . 1 1 61 61 LEU H H 61 8.045 8.045 8.567 -0.522 18218 5190 1 10 . 1 1 62 62 ILE N N 62 117.281 117.281 119.538 -2.257 18218 5191 1 10 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.397 -0.500 18218 5192 1 10 . 1 1 62 62 ILE CA C 62 59.149 59.149 60.722 -1.573 18218 5193 1 10 . 1 1 62 62 ILE CB C 62 34.432 34.432 39.136 -4.705 18218 5194 1 10 . 1 1 62 62 ILE H H 62 7.555 7.555 7.987 -0.432 18218 5195 1 10 . 1 1 63 63 HIS N N 63 119.488 119.488 126.773 -7.285 18218 5196 1 10 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.736 -0.098 18218 5197 1 10 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.337 -2.899 18218 5198 1 10 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.094 -4.964 18218 5199 1 10 . 1 1 63 63 HIS H H 63 8.179 8.179 8.966 -0.787 18218 5200 1 10 . 1 1 64 64 THR N N 64 112.132 112.132 114.867 -2.735 18218 5201 1 10 . 1 1 64 64 THR HA H 64 4.296 4.296 4.114 0.182 18218 5202 1 10 . 1 1 64 64 THR C C 64 175.063 175.063 173.815 1.248 18218 5203 1 10 . 1 1 64 64 THR CA C 64 58.802 58.802 63.260 -4.458 18218 5204 1 10 . 1 1 64 64 THR CB C 64 67.588 67.588 68.160 -0.572 18218 5205 1 10 . 1 1 64 64 THR H H 64 7.576 7.576 8.339 -0.763 18218 5206 1 10 . 1 1 65 65 ARG N N 65 123.493 123.493 117.142 6.351 18218 5207 1 10 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.419 -0.123 18218 5208 1 10 . 1 1 65 65 ARG C C 65 175.633 175.633 176.690 -1.057 18218 5209 1 10 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.365 -1.034 18218 5210 1 10 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.076 -3.933 18218 5211 1 10 . 1 1 65 65 ARG H H 65 8.713 8.713 8.100 0.613 18218 5212 1 10 . 1 1 66 66 VAL N N 66 117.974 117.974 121.080 -3.106 18218 5213 1 10 . 1 1 66 66 VAL HA H 66 3.997 3.997 4.037 -0.040 18218 5214 1 10 . 1 1 66 66 VAL C C 66 174.215 174.215 177.664 -3.449 18218 5215 1 10 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.154 -3.460 18218 5216 1 10 . 1 1 66 66 VAL CB C 66 28.041 28.041 30.755 -2.714 18218 5217 1 10 . 1 1 66 66 VAL H H 66 7.987 7.987 8.313 -0.326 18218 5218 1 10 . 1 1 67 67 ALA N N 67 123.016 123.016 123.528 -0.512 18218 5219 1 10 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.388 -0.388 18218 5220 1 10 . 1 1 67 67 ALA C C 67 175.367 175.367 180.075 -4.708 18218 5221 1 10 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.316 -3.196 18218 5222 1 10 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.899 -3.146 18218 5223 1 10 . 1 1 67 67 ALA H H 67 7.645 7.645 8.486 -0.841 18218 5224 1 10 . 1 1 68 68 ALA N N 68 120.682 120.682 121.232 -0.550 18218 5225 1 10 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.017 0.162 18218 5226 1 10 . 1 1 68 68 ALA C C 68 178.354 178.354 180.128 -1.774 18218 5227 1 10 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.084 -2.934 18218 5228 1 10 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.113 -3.360 18218 5229 1 10 . 1 1 68 68 ALA H H 68 7.931 7.931 8.313 -0.382 18218 5230 1 10 . 1 1 69 69 GLN N N 69 119.129 119.129 118.882 0.247 18218 5231 1 10 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.934 0.342 18218 5232 1 10 . 1 1 69 69 GLN C C 69 175.430 175.430 178.495 -3.065 18218 5233 1 10 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.635 -3.362 18218 5234 1 10 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.771 -3.641 18218 5235 1 10 . 1 1 69 69 GLN H H 69 8.213 8.213 8.345 -0.132 18218 5236 1 10 . 1 1 70 70 ALA N N 70 122.065 122.065 121.917 0.148 18218 5237 1 10 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.779 0.221 18218 5238 1 10 . 1 1 70 70 ALA C C 70 176.734 176.734 179.236 -2.502 18218 5239 1 10 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.792 -2.643 18218 5240 1 10 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.742 -2.989 18218 5241 1 10 . 1 1 70 70 ALA H H 70 8.397 8.397 8.243 0.154 18218 5242 1 10 . 1 1 71 71 CYS N N 71 115.893 115.893 116.719 -0.826 18218 5243 1 10 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.972 0.081 18218 5244 1 10 . 1 1 71 71 CYS C C 71 173.696 173.696 176.694 -2.998 18218 5245 1 10 . 1 1 71 71 CYS CA C 71 60.451 60.451 64.224 -3.773 18218 5246 1 10 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.745 -4.260 18218 5247 1 10 . 1 1 71 71 CYS H H 71 8.169 8.169 8.025 0.144 18218 5248 1 10 . 1 1 72 72 ALA N N 72 122.868 122.868 122.447 0.421 18218 5249 1 10 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.960 0.300 18218 5250 1 10 . 1 1 72 72 ALA C C 72 177.886 177.886 179.176 -1.290 18218 5251 1 10 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.552 -3.519 18218 5252 1 10 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.053 -3.300 18218 5253 1 10 . 1 1 72 72 ALA H H 72 7.742 7.742 8.073 -0.331 18218 5254 1 10 . 1 1 73 73 VAL N N 73 118.066 118.066 116.164 1.902 18218 5255 1 10 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.664 0.112 18218 5256 1 10 . 1 1 73 73 VAL C C 73 175.696 175.696 178.041 -2.345 18218 5257 1 10 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.045 -3.396 18218 5258 1 10 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.963 -2.859 18218 5259 1 10 . 1 1 73 73 VAL H H 73 8.050 8.050 8.152 -0.102 18218 5260 1 10 . 1 1 74 74 GLY N N 74 109.146 109.146 106.964 2.182 18218 5261 1 10 . 1 1 74 74 GLY C C 74 171.962 171.962 175.108 -3.146 18218 5262 1 10 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.862 -2.292 18218 5263 1 10 . 1 1 74 74 GLY H H 74 8.648 8.648 8.019 0.629 18218 5264 1 10 . 1 1 75 75 ALA N N 75 123.035 123.035 125.585 -2.550 18218 5265 1 10 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.208 -0.119 18218 5266 1 10 . 1 1 75 75 ALA C C 75 178.253 178.253 179.235 -0.982 18218 5267 1 10 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.620 -2.182 18218 5268 1 10 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.445 -3.755 18218 5269 1 10 . 1 1 75 75 ALA H H 75 8.213 8.213 7.860 0.353 18218 5270 1 10 . 1 1 76 76 ILE N N 76 120.121 120.121 119.440 0.681 18218 5271 1 10 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.695 0.134 18218 5272 1 10 . 1 1 76 76 ILE C C 76 176.506 176.506 177.811 -1.305 18218 5273 1 10 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.693 -3.375 18218 5274 1 10 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.326 -3.958 18218 5275 1 10 . 1 1 76 76 ILE H H 76 7.523 7.523 8.083 -0.560 18218 5276 1 10 . 1 1 77 77 MET N N 77 120.468 120.468 118.798 1.670 18218 5277 1 10 . 1 1 77 77 MET HA H 77 4.116 4.116 4.071 0.045 18218 5278 1 10 . 1 1 77 77 MET C C 77 175.038 175.038 178.093 -3.055 18218 5279 1 10 . 1 1 77 77 MET CA C 77 56.314 56.314 57.823 -1.509 18218 5280 1 10 . 1 1 77 77 MET CB C 77 34.242 34.242 31.597 2.645 18218 5281 1 10 . 1 1 77 77 MET H H 77 8.239 8.239 8.399 -0.160 18218 5282 1 10 . 1 1 78 78 LEU N N 78 119.389 119.389 120.359 -0.970 18218 5283 1 10 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.985 -0.021 18218 5284 1 10 . 1 1 78 78 LEU C C 78 176.202 176.202 179.474 -3.272 18218 5285 1 10 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.344 -3.476 18218 5286 1 10 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.138 -3.353 18218 5287 1 10 . 1 1 78 78 LEU H H 78 8.571 8.571 8.511 0.060 18218 5288 1 10 . 1 1 79 79 GLY N N 79 105.857 105.857 105.909 -0.052 18218 5289 1 10 . 1 1 79 79 GLY C C 79 173.861 173.861 175.495 -1.634 18218 5290 1 10 . 1 1 79 79 GLY CA C 79 44.252 44.252 46.724 -2.472 18218 5291 1 10 . 1 1 79 79 GLY H H 79 8.006 8.006 8.380 -0.374 18218 5292 1 10 . 1 1 80 80 ALA N N 80 125.631 125.631 125.269 0.362 18218 5293 1 10 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.964 0.331 18218 5294 1 10 . 1 1 80 80 ALA C C 80 177.544 177.544 179.601 -2.057 18218 5295 1 10 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.273 -3.269 18218 5296 1 10 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.323 -3.633 18218 5297 1 10 . 1 1 80 80 ALA H H 80 7.971 7.971 7.964 0.007 18218 5298 1 10 . 1 1 81 81 VAL N N 81 118.858 118.858 118.317 0.541 18218 5299 1 10 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.668 0.072 18218 5300 1 10 . 1 1 81 81 VAL C C 81 174.974 174.974 176.848 -1.874 18218 5301 1 10 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.137 -2.823 18218 5302 1 10 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.855 -4.067 18218 5303 1 10 . 1 1 81 81 VAL H H 81 8.206 8.206 8.473 -0.267 18218 5304 1 10 . 1 1 82 82 TYR N N 82 121.151 121.151 120.440 0.711 18218 5305 1 10 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.115 0.162 18218 5306 1 10 . 1 1 82 82 TYR C C 82 176.038 176.038 178.037 -1.999 18218 5307 1 10 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.559 -3.757 18218 5308 1 10 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.394 -3.962 18218 5309 1 10 . 1 1 82 82 TYR H H 82 8.614 8.614 8.125 0.489 18218 5310 1 10 . 1 1 83 83 THR N N 83 118.253 118.253 114.971 3.282 18218 5311 1 10 . 1 1 83 83 THR HA H 83 4.340 4.340 3.982 0.358 18218 5312 1 10 . 1 1 83 83 THR CA C 83 63.980 63.980 66.374 -2.393 18218 5313 1 10 . 1 1 83 83 THR CB C 83 65.437 65.437 68.748 -3.311 18218 5314 1 10 . 1 1 83 83 THR H H 83 8.361 8.361 8.298 0.063 18218 5315 1 10 . 1 1 84 84 MET N N 84 121.616 121.616 121.826 -0.210 18218 5316 1 10 . 1 1 84 84 MET C C 84 175.949 175.949 178.091 -2.142 18218 5317 1 10 . 1 1 84 84 MET CA C 84 56.603 56.603 59.697 -3.094 18218 5318 1 10 . 1 1 84 84 MET CB C 84 29.180 29.180 32.518 -3.338 18218 5319 1 10 . 1 1 84 84 MET H H 84 8.053 8.053 8.127 -0.074 18218 5320 1 10 . 1 1 85 85 TYR N N 85 120.690 120.690 119.386 1.304 18218 5321 1 10 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.228 -0.058 18218 5322 1 10 . 1 1 85 85 TYR C C 85 173.709 173.709 177.314 -3.605 18218 5323 1 10 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.299 -2.815 18218 5324 1 10 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.322 -3.384 18218 5325 1 10 . 1 1 85 85 TYR H H 85 8.543 8.543 8.612 -0.069 18218 5326 1 10 . 1 1 86 86 SER N N 86 115.536 115.536 114.558 0.978 18218 5327 1 10 . 1 1 86 86 SER HA H 86 3.802 3.802 4.052 -0.250 18218 5328 1 10 . 1 1 86 86 SER C C 86 174.709 174.709 176.761 -2.052 18218 5329 1 10 . 1 1 86 86 SER CA C 86 58.542 58.542 62.216 -3.674 18218 5330 1 10 . 1 1 86 86 SER CB C 86 59.243 59.243 63.237 -3.994 18218 5331 1 10 . 1 1 86 86 SER H H 86 8.422 8.422 7.977 0.445 18218 5332 1 10 . 1 1 87 87 ASP N N 87 121.132 121.132 121.995 -0.863 18218 5333 1 10 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.415 -0.066 18218 5334 1 10 . 1 1 87 87 ASP C C 87 175.177 175.177 177.816 -2.639 18218 5335 1 10 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.353 -2.584 18218 5336 1 10 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.435 -4.105 18218 5337 1 10 . 1 1 87 87 ASP H H 87 8.295 8.295 8.445 -0.150 18218 5338 1 10 . 1 1 88 88 TYR N N 88 122.430 122.430 118.390 4.040 18218 5339 1 10 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.137 -0.021 18218 5340 1 10 . 1 1 88 88 TYR C C 88 174.772 174.772 176.302 -1.530 18218 5341 1 10 . 1 1 88 88 TYR CA C 88 58.542 58.542 59.948 -1.406 18218 5342 1 10 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.590 -3.462 18218 5343 1 10 . 1 1 88 88 TYR H H 88 7.919 7.919 8.014 -0.095 18218 5344 1 10 . 1 1 89 89 VAL N N 89 118.321 118.321 115.504 2.817 18218 5345 1 10 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.751 -0.325 18218 5346 1 10 . 1 1 89 89 VAL C C 89 176.101 176.101 177.437 -1.336 18218 5347 1 10 . 1 1 89 89 VAL CA C 89 62.794 62.794 62.870 -0.076 18218 5348 1 10 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.156 -4.305 18218 5349 1 10 . 1 1 89 89 VAL H H 89 8.121 8.121 7.489 0.631 18218 5350 1 10 . 1 1 90 90 LYS N N 90 120.272 120.272 121.817 -1.545 18218 5351 1 10 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.981 0.028 18218 5352 1 10 . 1 1 90 90 LYS C C 90 176.126 176.126 177.446 -1.320 18218 5353 1 10 . 1 1 90 90 LYS CA C 90 55.851 55.851 59.153 -3.302 18218 5354 1 10 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.507 -3.897 18218 5355 1 10 . 1 1 90 90 LYS H H 90 7.708 7.708 8.741 -1.033 18218 5356 1 10 . 1 1 91 91 ARG N N 91 119.904 119.904 115.472 4.432 18218 5357 1 10 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.224 -0.196 18218 5358 1 10 . 1 1 91 91 ARG C C 91 175.544 175.544 174.630 0.914 18218 5359 1 10 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.348 -1.162 18218 5360 1 10 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.860 -4.591 18218 5361 1 10 . 1 1 91 91 ARG H H 91 7.685 7.685 7.763 -0.078 18218 5362 1 10 . 1 1 92 92 MET N N 92 118.654 118.654 120.024 -1.370 18218 5363 1 10 . 1 1 92 92 MET HA H 92 4.248 4.248 4.168 0.080 18218 5364 1 10 . 1 1 92 92 MET C C 92 174.810 174.810 176.558 -1.748 18218 5365 1 10 . 1 1 92 92 MET CA C 92 53.508 53.508 56.951 -3.443 18218 5366 1 10 . 1 1 92 92 MET CB C 92 26.016 26.016 32.780 -6.764 18218 5367 1 10 . 1 1 92 92 MET H H 92 7.790 7.790 8.132 -0.342 18218 5368 1 10 . 1 1 93 93 ALA N N 93 122.890 122.890 126.478 -3.588 18218 5369 1 10 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.403 -0.192 18218 5370 1 10 . 1 1 93 93 ALA C C 93 175.633 175.633 176.722 -1.089 18218 5371 1 10 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.182 -2.260 18218 5372 1 10 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.573 -4.314 18218 5373 1 10 . 1 1 93 93 ALA H H 93 7.648 7.648 8.412 -0.764 18218 5374 1 10 . 1 1 94 94 GLN N N 94 119.315 119.315 118.397 0.918 18218 5375 1 10 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.044 0.155 18218 5376 1 10 . 1 1 94 94 GLN C C 94 173.676 173.676 174.193 -0.517 18218 5377 1 10 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.086 -2.721 18218 5378 1 10 . 1 1 94 94 GLN CB C 94 25.890 25.890 27.866 -1.976 18218 5379 1 10 . 1 1 94 94 GLN H H 94 7.887 7.887 8.352 -0.465 18218 5380 1 10 . 1 1 95 95 ASP N N 95 121.546 121.546 120.978 0.568 18218 5381 1 10 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.692 -0.132 18218 5382 1 10 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.280 -2.796 18218 5383 1 10 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.788 -3.067 18218 5384 1 10 . 1 1 95 95 ASP H H 95 8.199 8.199 8.440 -0.241 18218 5385 1 10 . 1 1 96 96 ALA N N 96 125.033 125.033 122.663 2.370 18218 5386 1 10 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.844 -0.589 18218 5387 1 10 . 1 1 96 96 ALA C C 96 175.645 175.645 178.500 -2.855 18218 5388 1 10 . 1 1 96 96 ALA CA C 96 49.777 49.777 54.717 -4.940 18218 5389 1 10 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.887 -3.311 18218 5390 1 10 . 1 1 96 96 ALA H H 96 8.062 8.062 8.438 -0.376 18218 5391 1 10 . 1 1 97 97 GLY N N 97 108.048 108.048 106.544 1.504 18218 5392 1 10 . 1 1 97 97 GLY C C 97 171.418 171.418 173.599 -2.181 18218 5393 1 10 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.539 -2.399 18218 5394 1 10 . 1 1 97 97 GLY H H 97 8.196 8.196 7.751 0.445 18218 5395 1 10 . 1 1 98 98 GLU N N 98 121.445 121.445 119.763 1.682 18218 5396 1 10 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.614 -0.349 18218 5397 1 10 . 1 1 98 98 GLU C C 98 172.987 172.987 176.689 -3.702 18218 5398 1 10 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.833 -2.556 18218 5399 1 10 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.990 -4.594 18218 5400 1 10 . 1 1 98 98 GLU H H 98 8.086 8.086 8.173 -0.087 18218 5401 1 11 . 1 1 2 2 SER N N 2 116.234 116.234 120.384 -4.150 18218 5402 1 11 . 1 1 2 2 SER HA H 2 4.828 4.828 4.782 0.046 18218 5403 1 11 . 1 1 2 2 SER C C 2 171.696 171.696 173.385 -1.689 18218 5404 1 11 . 1 1 2 2 SER CA C 2 55.273 55.273 58.792 -3.519 18218 5405 1 11 . 1 1 2 2 SER CB C 2 60.624 60.624 62.751 -2.127 18218 5406 1 11 . 1 1 2 2 SER H H 2 7.958 7.958 8.546 -0.588 18218 5407 1 11 . 1 1 3 3 ALA N N 3 125.895 125.895 128.103 -2.208 18218 5408 1 11 . 1 1 3 3 ALA C C 3 174.633 174.633 175.738 -1.105 18218 5409 1 11 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.527 -2.808 18218 5410 1 11 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.690 -4.178 18218 5411 1 11 . 1 1 3 3 ALA H H 3 8.273 8.273 8.496 -0.223 18218 5412 1 11 . 1 1 4 4 ASN N N 4 118.166 118.166 118.405 -0.239 18218 5413 1 11 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.713 -0.113 18218 5414 1 11 . 1 1 4 4 ASN C C 4 172.089 172.089 175.222 -3.133 18218 5415 1 11 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.176 -2.907 18218 5416 1 11 . 1 1 4 4 ASN CB C 4 35.571 35.571 39.055 -3.484 18218 5417 1 11 . 1 1 4 4 ASN H H 4 8.307 8.307 8.183 0.124 18218 5418 1 11 . 1 1 5 5 ARG N N 5 121.553 121.553 123.817 -2.264 18218 5419 1 11 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.037 0.132 18218 5420 1 11 . 1 1 5 5 ARG C C 5 173.013 173.013 175.810 -2.797 18218 5421 1 11 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.241 -3.427 18218 5422 1 11 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.063 -2.845 18218 5423 1 11 . 1 1 5 5 ARG H H 5 8.058 8.058 8.094 -0.036 18218 5424 1 11 . 1 1 6 6 ARG N N 6 122.689 122.689 125.773 -3.084 18218 5425 1 11 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.123 -0.182 18218 5426 1 11 . 1 1 6 6 ARG C C 6 173.392 173.392 176.602 -3.210 18218 5427 1 11 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.567 -4.302 18218 5428 1 11 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.868 -4.662 18218 5429 1 11 . 1 1 6 6 ARG H H 6 8.122 8.122 8.122 0.000 18218 5430 1 11 . 1 1 7 7 TRP N N 7 120.901 120.901 125.112 -4.211 18218 5431 1 11 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.610 -0.192 18218 5432 1 11 . 1 1 7 7 TRP C C 7 172.557 172.557 176.935 -4.378 18218 5433 1 11 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.244 -1.723 18218 5434 1 11 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.815 -3.736 18218 5435 1 11 . 1 1 7 7 TRP H H 7 7.585 7.585 8.318 -0.733 18218 5436 1 11 . 1 1 8 8 TRP N N 8 118.192 118.192 124.407 -6.215 18218 5437 1 11 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.608 -0.157 18218 5438 1 11 . 1 1 8 8 TRP C C 8 171.456 171.456 175.611 -4.155 18218 5439 1 11 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.465 -2.523 18218 5440 1 11 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.054 -3.544 18218 5441 1 11 . 1 1 8 8 TRP H H 8 6.811 6.811 8.630 -1.819 18218 5442 1 11 . 1 1 9 9 VAL N N 9 122.005 122.005 123.490 -1.485 18218 5443 1 11 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.106 0.046 18218 5444 1 11 . 1 1 9 9 VAL C C 9 170.671 170.671 174.069 -3.398 18218 5445 1 11 . 1 1 9 9 VAL CA C 9 56.083 56.083 58.087 -2.004 18218 5446 1 11 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.647 -2.467 18218 5447 1 11 . 1 1 9 9 VAL H H 9 6.949 6.949 7.908 -0.959 18218 5448 1 11 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.020 -1.688 18218 5449 1 11 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.637 -3.254 18218 5450 1 11 . 1 1 12 12 ASP N N 12 119.443 119.443 120.548 -1.105 18218 5451 1 11 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.477 0.047 18218 5452 1 11 . 1 1 12 12 ASP C C 12 174.215 174.215 176.471 -2.256 18218 5453 1 11 . 1 1 12 12 ASP CA C 12 51.426 51.426 56.160 -4.734 18218 5454 1 11 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.730 -4.451 18218 5455 1 11 . 1 1 12 12 ASP H H 12 8.241 8.241 8.713 -0.472 18218 5456 1 11 . 1 1 13 13 ASP N N 13 119.369 119.369 114.858 4.511 18218 5457 1 11 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.615 -0.035 18218 5458 1 11 . 1 1 13 13 ASP C C 13 175.379 175.379 175.744 -0.365 18218 5459 1 11 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.075 -3.968 18218 5460 1 11 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.271 -3.929 18218 5461 1 11 . 1 1 13 13 ASP H H 13 7.980 7.980 8.135 -0.155 18218 5462 1 11 . 1 1 14 14 GLU N N 14 121.036 121.036 119.229 1.807 18218 5463 1 11 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.429 -0.269 18218 5464 1 11 . 1 1 14 14 GLU C C 14 173.633 173.633 175.752 -2.119 18218 5465 1 11 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.479 -2.363 18218 5466 1 11 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.928 -4.722 18218 5467 1 11 . 1 1 14 14 GLU H H 14 8.197 8.197 8.123 0.074 18218 5468 1 11 . 1 1 15 15 ASP N N 15 120.130 120.130 119.541 0.589 18218 5469 1 11 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.430 0.212 18218 5470 1 11 . 1 1 15 15 ASP C C 15 173.595 173.595 175.406 -1.811 18218 5471 1 11 . 1 1 15 15 ASP CA C 15 51.455 51.455 55.065 -3.610 18218 5472 1 11 . 1 1 15 15 ASP CB C 15 37.469 37.469 41.413 -3.944 18218 5473 1 11 . 1 1 15 15 ASP H H 15 8.308 8.308 8.339 -0.031 18218 5474 1 11 . 1 1 16 16 CYS N N 16 118.700 118.700 120.322 -1.622 18218 5475 1 11 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.528 -0.077 18218 5476 1 11 . 1 1 16 16 CYS CA C 16 55.736 55.736 58.822 -3.086 18218 5477 1 11 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.413 -3.726 18218 5478 1 11 . 1 1 16 16 CYS H H 16 7.968 7.968 8.255 -0.287 18218 5479 1 11 . 1 1 17 17 VAL N N 17 123.275 123.275 120.672 2.603 18218 5480 1 11 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.329 -0.601 18218 5481 1 11 . 1 1 17 17 VAL C C 17 174.430 174.430 176.433 -2.003 18218 5482 1 11 . 1 1 17 17 VAL CA C 17 62.504 62.504 63.466 -0.962 18218 5483 1 11 . 1 1 17 17 VAL CB C 17 28.231 28.231 31.708 -3.477 18218 5484 1 11 . 1 1 17 17 VAL H H 17 8.550 8.550 8.280 0.270 18218 5485 1 11 . 1 1 18 18 SER N N 18 116.499 116.499 113.561 2.938 18218 5486 1 11 . 1 1 18 18 SER HA H 18 3.822 3.822 4.115 -0.293 18218 5487 1 11 . 1 1 18 18 SER CA C 18 58.484 58.484 59.022 -0.538 18218 5488 1 11 . 1 1 18 18 SER CB C 18 59.109 59.109 63.283 -4.174 18218 5489 1 11 . 1 1 18 18 SER H H 18 8.447 8.447 8.067 0.380 18218 5490 1 11 . 1 1 19 19 GLU N N 19 121.940 121.940 121.056 0.884 18218 5491 1 11 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.972 0.038 18218 5492 1 11 . 1 1 19 19 GLU C C 19 175.544 175.544 178.489 -2.945 18218 5493 1 11 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.628 -4.008 18218 5494 1 11 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.541 -4.094 18218 5495 1 11 . 1 1 19 19 GLU H H 19 7.686 7.686 8.856 -1.170 18218 5496 1 11 . 1 1 20 20 LYS N N 20 119.855 119.855 120.126 -0.271 18218 5497 1 11 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.062 -0.142 18218 5498 1 11 . 1 1 20 20 LYS C C 20 173.696 173.696 178.821 -5.125 18218 5499 1 11 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.243 -3.189 18218 5500 1 11 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.011 -3.084 18218 5501 1 11 . 1 1 20 20 LYS H H 20 7.898 7.898 7.877 0.021 18218 5502 1 11 . 1 1 21 21 LEU N N 21 119.542 119.542 120.303 -0.761 18218 5503 1 11 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.021 0.020 18218 5504 1 11 . 1 1 21 21 LEU CA C 21 54.347 54.347 58.364 -4.017 18218 5505 1 11 . 1 1 21 21 LEU CB C 21 38.418 38.418 42.152 -3.734 18218 5506 1 11 . 1 1 21 21 LEU H H 21 8.056 8.056 7.921 0.135 18218 5507 1 11 . 1 1 22 22 LEU N N 22 120.384 120.384 118.300 2.084 18218 5508 1 11 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.821 0.229 18218 5509 1 11 . 1 1 22 22 LEU CA C 22 54.347 54.347 57.858 -3.511 18218 5510 1 11 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.225 -3.313 18218 5511 1 11 . 1 1 22 22 LEU H H 22 8.097 8.097 8.083 0.014 18218 5512 1 11 . 1 1 23 23 ARG N N 23 119.486 119.486 116.862 2.624 18218 5513 1 11 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.159 -0.164 18218 5514 1 11 . 1 1 23 23 ARG C C 23 175.443 175.443 178.136 -2.693 18218 5515 1 11 . 1 1 23 23 ARG CA C 23 55.822 55.822 57.624 -1.802 18218 5516 1 11 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.309 -3.977 18218 5517 1 11 . 1 1 23 23 ARG H H 23 8.032 8.032 7.911 0.121 18218 5518 1 11 . 1 1 24 24 LYS N N 24 119.009 119.009 118.060 0.949 18218 5519 1 11 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.108 0.032 18218 5520 1 11 . 1 1 24 24 LYS C C 24 175.633 175.633 177.955 -2.322 18218 5521 1 11 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.502 -3.779 18218 5522 1 11 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.506 -3.896 18218 5523 1 11 . 1 1 24 24 LYS H H 24 7.860 7.860 8.178 -0.318 18218 5524 1 11 . 1 1 25 25 THR N N 25 112.776 112.776 113.198 -0.422 18218 5525 1 11 . 1 1 25 25 THR HA H 25 4.005 4.005 4.090 -0.085 18218 5526 1 11 . 1 1 25 25 THR C C 25 172.646 172.646 174.037 -1.391 18218 5527 1 11 . 1 1 25 25 THR CA C 25 61.810 61.810 63.834 -2.024 18218 5528 1 11 . 1 1 25 25 THR CB C 25 65.753 65.753 69.423 -3.670 18218 5529 1 11 . 1 1 25 25 THR H H 25 7.867 7.867 8.326 -0.459 18218 5530 1 11 . 1 1 26 26 ARG N N 26 119.996 119.996 117.693 2.303 18218 5531 1 11 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.639 -0.492 18218 5532 1 11 . 1 1 26 26 ARG C C 26 174.278 174.278 174.865 -0.587 18218 5533 1 11 . 1 1 26 26 ARG CA C 26 54.347 54.347 55.354 -1.007 18218 5534 1 11 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.792 -3.764 18218 5535 1 11 . 1 1 26 26 ARG H H 26 7.765 7.765 8.339 -0.574 18218 5536 1 11 . 1 1 27 27 GLU N N 27 118.067 118.067 120.105 -2.038 18218 5537 1 11 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.147 0.140 18218 5538 1 11 . 1 1 27 27 GLU C C 27 173.582 173.582 176.932 -3.350 18218 5539 1 11 . 1 1 27 27 GLU CA C 27 53.364 53.364 57.627 -4.263 18218 5540 1 11 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.521 -3.315 18218 5541 1 11 . 1 1 27 27 GLU H H 27 7.764 7.764 8.643 -0.879 18218 5542 1 11 . 1 1 28 28 SER N N 28 115.900 115.900 117.861 -1.961 18218 5543 1 11 . 1 1 28 28 SER HA H 28 4.740 4.740 4.415 0.325 18218 5544 1 11 . 1 1 28 28 SER C C 28 170.481 170.481 173.213 -2.732 18218 5545 1 11 . 1 1 28 28 SER CA C 28 53.132 53.132 57.794 -4.662 18218 5546 1 11 . 1 1 28 28 SER CB C 28 60.624 60.624 63.118 -2.494 18218 5547 1 11 . 1 1 28 28 SER H H 28 7.630 7.630 8.038 -0.408 18218 5548 1 11 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.597 -0.061 18218 5549 1 11 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.427 -2.136 18218 5550 1 11 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.512 -3.065 18218 5551 1 11 . 1 1 30 30 LEU N N 30 120.365 120.365 117.125 3.240 18218 5552 1 11 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.583 -0.374 18218 5553 1 11 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.285 -4.529 18218 5554 1 11 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.129 -2.204 18218 5555 1 11 . 1 1 30 30 LEU H H 30 8.034 8.034 8.231 -0.197 18218 5556 1 11 . 1 1 31 31 VAL N N 31 117.988 117.988 122.478 -4.490 18218 5557 1 11 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.765 0.468 18218 5558 1 11 . 1 1 31 31 VAL C C 31 171.899 171.899 175.766 -3.867 18218 5559 1 11 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.035 -10.448 18218 5560 1 11 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.214 -0.504 18218 5561 1 11 . 1 1 31 31 VAL H H 31 7.499 7.499 8.387 -0.888 18218 5562 1 11 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.322 0.215 18218 5563 1 11 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.957 -5.861 18218 5564 1 11 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.206 -3.456 18218 5565 1 11 . 1 1 33 33 ILE N N 33 121.507 121.507 119.066 2.441 18218 5566 1 11 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.605 0.314 18218 5567 1 11 . 1 1 33 33 ILE C C 33 173.025 173.025 178.369 -5.344 18218 5568 1 11 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.925 -5.053 18218 5569 1 11 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.564 -3.069 18218 5570 1 11 . 1 1 33 33 ILE H H 33 7.982 7.982 7.517 0.465 18218 5571 1 11 . 1 1 34 34 GLY N N 34 111.381 111.381 107.021 4.360 18218 5572 1 11 . 1 1 34 34 GLY C C 34 172.987 172.987 175.770 -2.783 18218 5573 1 11 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.683 -3.675 18218 5574 1 11 . 1 1 34 34 GLY H H 34 8.540 8.540 8.818 -0.278 18218 5575 1 11 . 1 1 35 35 LEU N N 35 122.626 122.626 123.497 -0.871 18218 5576 1 11 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.903 0.346 18218 5577 1 11 . 1 1 35 35 LEU C C 35 175.637 175.637 178.788 -3.151 18218 5578 1 11 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.543 -3.311 18218 5579 1 11 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.839 -3.231 18218 5580 1 11 . 1 1 35 35 LEU H H 35 7.964 7.964 7.832 0.132 18218 5581 1 11 . 1 1 36 36 GLY N N 36 106.708 106.708 105.833 0.875 18218 5582 1 11 . 1 1 36 36 GLY C C 36 172.647 172.647 175.920 -3.273 18218 5583 1 11 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.195 -2.769 18218 5584 1 11 . 1 1 36 36 GLY H H 36 8.521 8.521 8.885 -0.364 18218 5585 1 11 . 1 1 37 37 GLY N N 37 108.586 108.586 109.161 -0.575 18218 5586 1 11 . 1 1 37 37 GLY C C 37 173.291 173.291 175.891 -2.600 18218 5587 1 11 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.937 -2.801 18218 5588 1 11 . 1 1 37 37 GLY H H 37 8.270 8.270 8.311 -0.041 18218 5589 1 11 . 1 1 38 38 CYS N N 38 119.678 119.678 120.610 -0.932 18218 5590 1 11 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.326 -0.082 18218 5591 1 11 . 1 1 38 38 CYS C C 38 174.215 174.215 176.247 -2.032 18218 5592 1 11 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.318 -3.082 18218 5593 1 11 . 1 1 38 38 CYS CB C 38 23.359 23.359 28.052 -4.693 18218 5594 1 11 . 1 1 38 38 CYS H H 38 7.836 7.836 7.937 -0.101 18218 5595 1 11 . 1 1 39 39 LEU N N 39 120.798 120.798 122.001 -1.203 18218 5596 1 11 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.901 0.212 18218 5597 1 11 . 1 1 39 39 LEU C C 39 175.506 175.506 179.250 -3.744 18218 5598 1 11 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.182 -3.314 18218 5599 1 11 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.117 -3.268 18218 5600 1 11 . 1 1 39 39 LEU H H 39 7.999 7.999 8.224 -0.225 18218 5601 1 11 . 1 1 40 40 VAL N N 40 118.510 118.510 118.083 0.427 18218 5602 1 11 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.633 -0.037 18218 5603 1 11 . 1 1 40 40 VAL C C 40 174.544 174.544 177.810 -3.266 18218 5604 1 11 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.356 -2.637 18218 5605 1 11 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.834 -3.920 18218 5606 1 11 . 1 1 40 40 VAL H H 40 7.803 7.803 8.011 -0.208 18218 5607 1 11 . 1 1 41 41 VAL N N 41 119.131 119.131 119.993 -0.862 18218 5608 1 11 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.599 0.093 18218 5609 1 11 . 1 1 41 41 VAL C C 41 175.924 175.924 177.950 -2.026 18218 5610 1 11 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.640 -3.181 18218 5611 1 11 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.006 -2.965 18218 5612 1 11 . 1 1 41 41 VAL H H 41 7.624 7.624 7.790 -0.166 18218 5613 1 11 . 1 1 42 42 ALA N N 42 122.172 122.172 121.249 0.923 18218 5614 1 11 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.889 0.216 18218 5615 1 11 . 1 1 42 42 ALA C C 42 176.582 176.582 179.297 -2.715 18218 5616 1 11 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.321 -3.056 18218 5617 1 11 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.989 -3.109 18218 5618 1 11 . 1 1 42 42 ALA H H 42 8.008 8.008 8.491 -0.483 18218 5619 1 11 . 1 1 43 43 ALA N N 43 119.990 119.990 122.003 -2.013 18218 5620 1 11 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.081 -0.090 18218 5621 1 11 . 1 1 43 43 ALA C C 43 176.455 176.455 179.428 -2.973 18218 5622 1 11 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.089 -2.796 18218 5623 1 11 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.146 -3.267 18218 5624 1 11 . 1 1 43 43 ALA H H 43 8.400 8.400 7.934 0.466 18218 5625 1 11 . 1 1 44 44 TYR N N 44 118.221 118.221 120.556 -2.335 18218 5626 1 11 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.256 -0.037 18218 5627 1 11 . 1 1 44 44 TYR C C 44 175.177 175.177 177.733 -2.556 18218 5628 1 11 . 1 1 44 44 TYR CA C 44 58.281 58.281 60.829 -2.548 18218 5629 1 11 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.552 -3.930 18218 5630 1 11 . 1 1 44 44 TYR H H 44 8.345 8.345 8.162 0.183 18218 5631 1 11 . 1 1 45 45 ARG N N 45 119.104 119.104 119.610 -0.506 18218 5632 1 11 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.703 0.130 18218 5633 1 11 . 1 1 45 45 ARG C C 45 176.531 176.531 178.607 -2.076 18218 5634 1 11 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.550 -3.120 18218 5635 1 11 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.922 -3.716 18218 5636 1 11 . 1 1 45 45 ARG H H 45 8.275 8.275 8.387 -0.112 18218 5637 1 11 . 1 1 46 46 ILE N N 46 119.719 119.719 117.548 2.171 18218 5638 1 11 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.589 0.112 18218 5639 1 11 . 1 1 46 46 ILE C C 46 174.873 174.873 177.771 -2.898 18218 5640 1 11 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.954 -3.520 18218 5641 1 11 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.037 -3.175 18218 5642 1 11 . 1 1 46 46 ILE H H 46 8.119 8.119 8.037 0.082 18218 5643 1 11 . 1 1 47 47 TYR N N 47 121.419 121.419 120.540 0.879 18218 5644 1 11 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.953 0.029 18218 5645 1 11 . 1 1 47 47 TYR C C 47 175.544 175.544 178.102 -2.558 18218 5646 1 11 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.676 -3.077 18218 5647 1 11 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.021 -3.146 18218 5648 1 11 . 1 1 47 47 TYR H H 47 8.383 8.383 7.928 0.455 18218 5649 1 11 . 1 1 48 48 ARG N N 48 118.278 118.278 116.834 1.444 18218 5650 1 11 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.843 -0.151 18218 5651 1 11 . 1 1 48 48 ARG C C 48 175.671 175.671 177.784 -2.113 18218 5652 1 11 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.846 -3.891 18218 5653 1 11 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.489 -4.536 18218 5654 1 11 . 1 1 48 48 ARG H H 48 8.074 8.074 7.743 0.331 18218 5655 1 11 . 1 1 49 49 LEU N N 49 120.350 120.350 118.977 1.373 18218 5656 1 11 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.945 0.203 18218 5657 1 11 . 1 1 49 49 LEU C C 49 175.772 175.772 177.465 -1.693 18218 5658 1 11 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.753 -4.245 18218 5659 1 11 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.148 -3.667 18218 5660 1 11 . 1 1 49 49 LEU H H 49 7.744 7.744 7.957 -0.213 18218 5661 1 11 . 1 1 50 50 ARG N N 50 117.990 117.990 117.901 0.089 18218 5662 1 11 . 1 1 50 50 ARG HA H 50 4.154 4.154 3.988 0.166 18218 5663 1 11 . 1 1 50 50 ARG C C 50 174.139 174.139 175.358 -1.219 18218 5664 1 11 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.815 -3.757 18218 5665 1 11 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.656 -4.450 18218 5666 1 11 . 1 1 50 50 ARG H H 50 7.686 7.686 8.079 -0.393 18218 5667 1 11 . 1 1 51 51 SER N N 51 115.124 115.124 113.917 1.207 18218 5668 1 11 . 1 1 51 51 SER HA H 51 4.274 4.274 4.236 0.038 18218 5669 1 11 . 1 1 51 51 SER C C 51 172.392 172.392 173.444 -1.052 18218 5670 1 11 . 1 1 51 51 SER CA C 51 56.112 56.112 58.728 -2.616 18218 5671 1 11 . 1 1 51 51 SER CB C 51 60.075 60.075 63.560 -3.485 18218 5672 1 11 . 1 1 51 51 SER H H 51 7.873 7.873 8.442 -0.569 18218 5673 1 11 . 1 1 52 52 ARG N N 52 122.132 122.132 121.537 0.595 18218 5674 1 11 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.069 0.207 18218 5675 1 11 . 1 1 52 52 ARG C C 52 174.316 174.316 176.607 -2.291 18218 5676 1 11 . 1 1 52 52 ARG CA C 52 53.422 53.422 57.001 -3.579 18218 5677 1 11 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.570 -4.238 18218 5678 1 11 . 1 1 52 52 ARG H H 52 7.923 7.923 8.427 -0.504 18218 5679 1 11 . 1 1 53 53 GLY N N 53 108.907 108.907 113.417 -4.510 18218 5680 1 11 . 1 1 53 53 GLY C C 53 171.405 171.405 173.451 -2.046 18218 5681 1 11 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.017 -2.558 18218 5682 1 11 . 1 1 53 53 GLY H H 53 8.142 8.142 8.608 -0.466 18218 5683 1 11 . 1 1 54 54 SER N N 54 115.609 115.609 117.160 -1.551 18218 5684 1 11 . 1 1 54 54 SER HA H 54 4.470 4.470 4.561 -0.091 18218 5685 1 11 . 1 1 54 54 SER C C 54 172.367 172.367 173.129 -0.762 18218 5686 1 11 . 1 1 54 54 SER CA C 54 55.504 55.504 57.329 -1.825 18218 5687 1 11 . 1 1 54 54 SER CB C 54 60.537 60.537 65.021 -4.484 18218 5688 1 11 . 1 1 54 54 SER H H 54 8.042 8.042 8.175 -0.134 18218 5689 1 11 . 1 1 55 55 THR N N 55 117.148 117.148 117.213 -0.065 18218 5690 1 11 . 1 1 55 55 THR HA H 55 4.244 4.244 4.309 -0.065 18218 5691 1 11 . 1 1 55 55 THR C C 55 171.785 171.785 174.585 -2.800 18218 5692 1 11 . 1 1 55 55 THR CA C 55 59.612 59.612 64.249 -4.637 18218 5693 1 11 . 1 1 55 55 THR CB C 55 66.322 66.322 68.915 -2.593 18218 5694 1 11 . 1 1 55 55 THR H H 55 8.123 8.123 8.416 -0.293 18218 5695 1 11 . 1 1 56 56 LYS N N 56 123.462 123.462 124.069 -0.607 18218 5696 1 11 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.002 0.242 18218 5697 1 11 . 1 1 56 56 LYS C C 56 173.848 173.848 175.395 -1.547 18218 5698 1 11 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.410 -3.845 18218 5699 1 11 . 1 1 56 56 LYS CB C 56 29.117 29.117 31.875 -2.758 18218 5700 1 11 . 1 1 56 56 LYS H H 56 8.184 8.184 8.774 -0.590 18218 5701 1 11 . 1 1 57 57 MET N N 57 121.145 121.145 120.067 1.078 18218 5702 1 11 . 1 1 57 57 MET HA H 57 4.425 4.425 4.427 -0.002 18218 5703 1 11 . 1 1 57 57 MET C C 57 172.835 172.835 175.502 -2.667 18218 5704 1 11 . 1 1 57 57 MET CA C 57 52.930 52.930 56.085 -3.155 18218 5705 1 11 . 1 1 57 57 MET CB C 57 29.876 29.876 33.823 -3.947 18218 5706 1 11 . 1 1 57 57 MET H H 57 8.153 8.153 8.179 -0.026 18218 5707 1 11 . 1 1 58 58 SER N N 58 116.811 116.811 114.857 1.954 18218 5708 1 11 . 1 1 58 58 SER HA H 58 4.470 4.470 4.827 -0.357 18218 5709 1 11 . 1 1 58 58 SER C C 58 171.620 171.620 174.243 -2.623 18218 5710 1 11 . 1 1 58 58 SER CA C 58 55.041 55.041 57.883 -2.842 18218 5711 1 11 . 1 1 58 58 SER CB C 58 60.653 60.653 65.301 -4.648 18218 5712 1 11 . 1 1 58 58 SER H H 58 7.895 7.895 8.027 -0.132 18218 5713 1 11 . 1 1 59 59 ILE N N 59 122.346 122.346 125.184 -2.838 18218 5714 1 11 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.224 -0.234 18218 5715 1 11 . 1 1 59 59 ILE C C 59 173.127 173.127 173.951 -0.824 18218 5716 1 11 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.053 -2.511 18218 5717 1 11 . 1 1 59 59 ILE CB C 59 34.938 34.938 37.257 -2.319 18218 5718 1 11 . 1 1 59 59 ILE H H 59 8.110 8.110 8.639 -0.529 18218 5719 1 11 . 1 1 60 60 HIS N N 60 121.006 121.006 119.666 1.340 18218 5720 1 11 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.892 -0.878 18218 5721 1 11 . 1 1 60 60 HIS C C 60 172.443 172.443 173.623 -1.180 18218 5722 1 11 . 1 1 60 60 HIS CA C 60 53.364 53.364 55.411 -2.047 18218 5723 1 11 . 1 1 60 60 HIS CB C 60 25.510 25.510 29.883 -4.373 18218 5724 1 11 . 1 1 60 60 HIS H H 60 8.235 8.235 7.722 0.513 18218 5725 1 11 . 1 1 61 61 LEU N N 61 120.472 120.472 122.424 -1.952 18218 5726 1 11 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.466 -0.277 18218 5727 1 11 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.023 -1.833 18218 5728 1 11 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.724 -3.860 18218 5729 1 11 . 1 1 61 61 LEU H H 61 8.045 8.045 8.194 -0.149 18218 5730 1 11 . 1 1 62 62 ILE N N 62 117.281 117.281 121.899 -4.618 18218 5731 1 11 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.839 0.058 18218 5732 1 11 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.311 -3.162 18218 5733 1 11 . 1 1 62 62 ILE CB C 62 34.432 34.432 36.559 -2.127 18218 5734 1 11 . 1 1 62 62 ILE H H 62 7.555 7.555 8.371 -0.816 18218 5735 1 11 . 1 1 63 63 HIS N N 63 119.488 119.488 120.871 -1.383 18218 5736 1 11 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.563 0.074 18218 5737 1 11 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.688 -3.250 18218 5738 1 11 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.438 -5.308 18218 5739 1 11 . 1 1 63 63 HIS H H 63 8.179 8.179 8.411 -0.232 18218 5740 1 11 . 1 1 64 64 THR N N 64 112.132 112.132 115.505 -3.373 18218 5741 1 11 . 1 1 64 64 THR HA H 64 4.296 4.296 4.499 -0.203 18218 5742 1 11 . 1 1 64 64 THR C C 64 175.063 175.063 175.818 -0.755 18218 5743 1 11 . 1 1 64 64 THR CA C 64 58.802 58.802 61.437 -2.635 18218 5744 1 11 . 1 1 64 64 THR CB C 64 67.588 67.588 69.886 -2.298 18218 5745 1 11 . 1 1 64 64 THR H H 64 7.576 7.576 8.372 -0.796 18218 5746 1 11 . 1 1 65 65 ARG N N 65 123.493 123.493 121.701 1.792 18218 5747 1 11 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.357 -0.061 18218 5748 1 11 . 1 1 65 65 ARG C C 65 175.633 175.633 178.020 -2.387 18218 5749 1 11 . 1 1 65 65 ARG CA C 65 55.331 55.331 58.472 -3.142 18218 5750 1 11 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.486 -4.343 18218 5751 1 11 . 1 1 65 65 ARG H H 65 8.713 8.713 8.683 0.030 18218 5752 1 11 . 1 1 66 66 VAL N N 66 117.974 117.974 118.635 -0.661 18218 5753 1 11 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.570 0.427 18218 5754 1 11 . 1 1 66 66 VAL C C 66 174.215 174.215 177.361 -3.146 18218 5755 1 11 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.731 -4.037 18218 5756 1 11 . 1 1 66 66 VAL CB C 66 28.041 28.041 30.741 -2.700 18218 5757 1 11 . 1 1 66 66 VAL H H 66 7.987 7.987 8.040 -0.053 18218 5758 1 11 . 1 1 67 67 ALA N N 67 123.016 123.016 121.493 1.523 18218 5759 1 11 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.016 -0.016 18218 5760 1 11 . 1 1 67 67 ALA C C 67 175.367 175.367 179.044 -3.677 18218 5761 1 11 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.008 -2.888 18218 5762 1 11 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.152 -3.399 18218 5763 1 11 . 1 1 67 67 ALA H H 67 7.645 7.645 8.060 -0.415 18218 5764 1 11 . 1 1 68 68 ALA N N 68 120.682 120.682 121.527 -0.845 18218 5765 1 11 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.788 0.391 18218 5766 1 11 . 1 1 68 68 ALA C C 68 178.354 178.354 179.391 -1.037 18218 5767 1 11 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.248 -3.099 18218 5768 1 11 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.859 -3.106 18218 5769 1 11 . 1 1 68 68 ALA H H 68 7.931 7.931 7.654 0.277 18218 5770 1 11 . 1 1 69 69 GLN N N 69 119.129 119.129 119.297 -0.168 18218 5771 1 11 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.836 0.440 18218 5772 1 11 . 1 1 69 69 GLN C C 69 175.430 175.430 178.211 -2.781 18218 5773 1 11 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.783 -3.510 18218 5774 1 11 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.521 -3.391 18218 5775 1 11 . 1 1 69 69 GLN H H 69 8.213 8.213 8.306 -0.093 18218 5776 1 11 . 1 1 70 70 ALA N N 70 122.065 122.065 120.120 1.945 18218 5777 1 11 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.671 0.329 18218 5778 1 11 . 1 1 70 70 ALA C C 70 176.734 176.734 178.567 -1.833 18218 5779 1 11 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.861 -2.712 18218 5780 1 11 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.530 -2.777 18218 5781 1 11 . 1 1 70 70 ALA H H 70 8.397 8.397 8.082 0.315 18218 5782 1 11 . 1 1 71 71 CYS N N 71 115.893 115.893 117.571 -1.678 18218 5783 1 11 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.096 -0.043 18218 5784 1 11 . 1 1 71 71 CYS C C 71 173.696 173.696 176.592 -2.896 18218 5785 1 11 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.072 -2.621 18218 5786 1 11 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.390 -3.905 18218 5787 1 11 . 1 1 71 71 CYS H H 71 8.169 8.169 7.644 0.525 18218 5788 1 11 . 1 1 72 72 ALA N N 72 122.868 122.868 122.609 0.259 18218 5789 1 11 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.962 0.298 18218 5790 1 11 . 1 1 72 72 ALA C C 72 177.886 177.886 179.698 -1.812 18218 5791 1 11 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.471 -3.438 18218 5792 1 11 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.900 -3.147 18218 5793 1 11 . 1 1 72 72 ALA H H 72 7.742 7.742 8.144 -0.402 18218 5794 1 11 . 1 1 73 73 VAL N N 73 118.066 118.066 117.760 0.306 18218 5795 1 11 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.570 0.206 18218 5796 1 11 . 1 1 73 73 VAL C C 73 175.696 175.696 178.301 -2.605 18218 5797 1 11 . 1 1 73 73 VAL CA C 73 62.649 62.649 67.000 -4.351 18218 5798 1 11 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.827 -2.723 18218 5799 1 11 . 1 1 73 73 VAL H H 73 8.050 8.050 8.386 -0.336 18218 5800 1 11 . 1 1 74 74 GLY N N 74 109.146 109.146 106.881 2.265 18218 5801 1 11 . 1 1 74 74 GLY C C 74 171.962 171.962 175.781 -3.819 18218 5802 1 11 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.428 -2.858 18218 5803 1 11 . 1 1 74 74 GLY H H 74 8.648 8.648 7.998 0.650 18218 5804 1 11 . 1 1 75 75 ALA N N 75 123.035 123.035 125.427 -2.392 18218 5805 1 11 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.184 -0.095 18218 5806 1 11 . 1 1 75 75 ALA C C 75 178.253 178.253 178.856 -0.603 18218 5807 1 11 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.427 -1.989 18218 5808 1 11 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.405 -3.715 18218 5809 1 11 . 1 1 75 75 ALA H H 75 8.213 8.213 7.868 0.345 18218 5810 1 11 . 1 1 76 76 ILE N N 76 120.121 120.121 120.316 -0.195 18218 5811 1 11 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.558 0.271 18218 5812 1 11 . 1 1 76 76 ILE C C 76 176.506 176.506 177.614 -1.108 18218 5813 1 11 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.072 -3.754 18218 5814 1 11 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.225 -3.857 18218 5815 1 11 . 1 1 76 76 ILE H H 76 7.523 7.523 7.968 -0.445 18218 5816 1 11 . 1 1 77 77 MET N N 77 120.468 120.468 118.376 2.092 18218 5817 1 11 . 1 1 77 77 MET HA H 77 4.116 4.116 3.993 0.123 18218 5818 1 11 . 1 1 77 77 MET C C 77 175.038 175.038 178.005 -2.967 18218 5819 1 11 . 1 1 77 77 MET CA C 77 56.314 56.314 59.700 -3.386 18218 5820 1 11 . 1 1 77 77 MET CB C 77 34.242 34.242 32.517 1.725 18218 5821 1 11 . 1 1 77 77 MET H H 77 8.239 8.239 8.355 -0.116 18218 5822 1 11 . 1 1 78 78 LEU N N 78 119.389 119.389 119.226 0.163 18218 5823 1 11 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.855 0.109 18218 5824 1 11 . 1 1 78 78 LEU C C 78 176.202 176.202 178.601 -2.399 18218 5825 1 11 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.695 -3.827 18218 5826 1 11 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.552 -3.767 18218 5827 1 11 . 1 1 78 78 LEU H H 78 8.571 8.571 7.815 0.756 18218 5828 1 11 . 1 1 79 79 GLY N N 79 105.857 105.857 106.057 -0.200 18218 5829 1 11 . 1 1 79 79 GLY C C 79 173.861 173.861 175.544 -1.683 18218 5830 1 11 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.221 -2.969 18218 5831 1 11 . 1 1 79 79 GLY H H 79 8.006 8.006 8.280 -0.274 18218 5832 1 11 . 1 1 80 80 ALA N N 80 125.631 125.631 125.659 -0.028 18218 5833 1 11 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.893 0.402 18218 5834 1 11 . 1 1 80 80 ALA C C 80 177.544 177.544 179.898 -2.354 18218 5835 1 11 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.159 -3.155 18218 5836 1 11 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.288 -3.598 18218 5837 1 11 . 1 1 80 80 ALA H H 80 7.971 7.971 8.284 -0.313 18218 5838 1 11 . 1 1 81 81 VAL N N 81 118.858 118.858 119.699 -0.841 18218 5839 1 11 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.513 0.227 18218 5840 1 11 . 1 1 81 81 VAL C C 81 174.974 174.974 177.920 -2.946 18218 5841 1 11 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.307 -3.993 18218 5842 1 11 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.657 -3.869 18218 5843 1 11 . 1 1 81 81 VAL H H 81 8.206 8.206 8.207 -0.001 18218 5844 1 11 . 1 1 82 82 TYR N N 82 121.151 121.151 119.581 1.570 18218 5845 1 11 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.936 0.341 18218 5846 1 11 . 1 1 82 82 TYR C C 82 176.038 176.038 177.968 -1.930 18218 5847 1 11 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.085 -3.283 18218 5848 1 11 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.037 -3.605 18218 5849 1 11 . 1 1 82 82 TYR H H 82 8.614 8.614 8.877 -0.263 18218 5850 1 11 . 1 1 83 83 THR N N 83 118.253 118.253 114.891 3.362 18218 5851 1 11 . 1 1 83 83 THR HA H 83 4.340 4.340 3.899 0.441 18218 5852 1 11 . 1 1 83 83 THR CA C 83 63.980 63.980 66.520 -2.541 18218 5853 1 11 . 1 1 83 83 THR CB C 83 65.437 65.437 68.411 -2.974 18218 5854 1 11 . 1 1 83 83 THR H H 83 8.361 8.361 8.579 -0.218 18218 5855 1 11 . 1 1 84 84 MET N N 84 121.616 121.616 122.040 -0.424 18218 5856 1 11 . 1 1 84 84 MET C C 84 175.949 175.949 178.047 -2.098 18218 5857 1 11 . 1 1 84 84 MET CA C 84 56.603 56.603 58.960 -2.357 18218 5858 1 11 . 1 1 84 84 MET CB C 84 29.180 29.180 32.167 -2.987 18218 5859 1 11 . 1 1 84 84 MET H H 84 8.053 8.053 8.317 -0.264 18218 5860 1 11 . 1 1 85 85 TYR N N 85 120.690 120.690 119.836 0.854 18218 5861 1 11 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.872 0.298 18218 5862 1 11 . 1 1 85 85 TYR C C 85 173.709 173.709 178.264 -4.555 18218 5863 1 11 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.890 -3.406 18218 5864 1 11 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.190 -3.252 18218 5865 1 11 . 1 1 85 85 TYR H H 85 8.543 8.543 8.423 0.120 18218 5866 1 11 . 1 1 86 86 SER N N 86 115.536 115.536 113.146 2.390 18218 5867 1 11 . 1 1 86 86 SER HA H 86 3.802 3.802 4.062 -0.260 18218 5868 1 11 . 1 1 86 86 SER C C 86 174.709 174.709 177.445 -2.736 18218 5869 1 11 . 1 1 86 86 SER CA C 86 58.542 58.542 61.959 -3.417 18218 5870 1 11 . 1 1 86 86 SER CB C 86 59.243 59.243 62.748 -3.505 18218 5871 1 11 . 1 1 86 86 SER H H 86 8.422 8.422 8.371 0.051 18218 5872 1 11 . 1 1 87 87 ASP N N 87 121.132 121.132 122.351 -1.219 18218 5873 1 11 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.365 -0.016 18218 5874 1 11 . 1 1 87 87 ASP C C 87 175.177 175.177 178.148 -2.971 18218 5875 1 11 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.151 -3.382 18218 5876 1 11 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.498 -4.168 18218 5877 1 11 . 1 1 87 87 ASP H H 87 8.295 8.295 7.965 0.330 18218 5878 1 11 . 1 1 88 88 TYR N N 88 122.430 122.430 118.394 4.036 18218 5879 1 11 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.098 0.018 18218 5880 1 11 . 1 1 88 88 TYR C C 88 174.772 174.772 175.989 -1.217 18218 5881 1 11 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.714 -2.172 18218 5882 1 11 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.594 -3.466 18218 5883 1 11 . 1 1 88 88 TYR H H 88 7.919 7.919 8.068 -0.149 18218 5884 1 11 . 1 1 89 89 VAL N N 89 118.321 118.321 119.603 -1.282 18218 5885 1 11 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.885 -0.459 18218 5886 1 11 . 1 1 89 89 VAL C C 89 176.101 176.101 176.224 -0.123 18218 5887 1 11 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.255 -0.461 18218 5888 1 11 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.119 -4.268 18218 5889 1 11 . 1 1 89 89 VAL H H 89 8.121 8.121 7.512 0.609 18218 5890 1 11 . 1 1 90 90 LYS N N 90 120.272 120.272 127.214 -6.942 18218 5891 1 11 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.259 -0.250 18218 5892 1 11 . 1 1 90 90 LYS C C 90 176.126 176.126 175.849 0.277 18218 5893 1 11 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.360 -0.509 18218 5894 1 11 . 1 1 90 90 LYS CB C 90 28.610 28.610 30.729 -2.119 18218 5895 1 11 . 1 1 90 90 LYS H H 90 7.708 7.708 8.772 -1.064 18218 5896 1 11 . 1 1 91 91 ARG N N 91 119.904 119.904 121.122 -1.218 18218 5897 1 11 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.427 -0.399 18218 5898 1 11 . 1 1 91 91 ARG C C 91 175.544 175.544 174.541 1.003 18218 5899 1 11 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.261 -1.075 18218 5900 1 11 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.387 -5.118 18218 5901 1 11 . 1 1 91 91 ARG H H 91 7.685 7.685 8.418 -0.733 18218 5902 1 11 . 1 1 92 92 MET N N 92 118.654 118.654 121.865 -3.211 18218 5903 1 11 . 1 1 92 92 MET HA H 92 4.248 4.248 4.562 -0.314 18218 5904 1 11 . 1 1 92 92 MET C C 92 174.810 174.810 173.873 0.937 18218 5905 1 11 . 1 1 92 92 MET CA C 92 53.508 53.508 55.630 -2.122 18218 5906 1 11 . 1 1 92 92 MET CB C 92 26.016 26.016 34.393 -8.377 18218 5907 1 11 . 1 1 92 92 MET H H 92 7.790 7.790 8.177 -0.387 18218 5908 1 11 . 1 1 93 93 ALA N N 93 122.890 122.890 127.027 -4.137 18218 5909 1 11 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.560 -0.349 18218 5910 1 11 . 1 1 93 93 ALA C C 93 175.633 175.633 175.904 -0.271 18218 5911 1 11 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.907 -2.985 18218 5912 1 11 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.380 -4.121 18218 5913 1 11 . 1 1 93 93 ALA H H 93 7.648 7.648 8.433 -0.785 18218 5914 1 11 . 1 1 94 94 GLN N N 94 119.315 119.315 119.934 -0.619 18218 5915 1 11 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.363 -0.164 18218 5916 1 11 . 1 1 94 94 GLN C C 94 173.676 173.676 173.801 -0.125 18218 5917 1 11 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.574 -3.210 18218 5918 1 11 . 1 1 94 94 GLN CB C 94 25.890 25.890 30.055 -4.165 18218 5919 1 11 . 1 1 94 94 GLN H H 94 7.887 7.887 7.919 -0.032 18218 5920 1 11 . 1 1 95 95 ASP N N 95 121.546 121.546 120.514 1.032 18218 5921 1 11 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.575 -0.015 18218 5922 1 11 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.452 -2.968 18218 5923 1 11 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.548 -3.826 18218 5924 1 11 . 1 1 95 95 ASP H H 95 8.199 8.199 8.237 -0.038 18218 5925 1 11 . 1 1 96 96 ALA N N 96 125.033 125.033 125.664 -0.631 18218 5926 1 11 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.197 0.058 18218 5927 1 11 . 1 1 96 96 ALA C C 96 175.645 175.645 177.549 -1.904 18218 5928 1 11 . 1 1 96 96 ALA CA C 96 49.777 49.777 53.471 -3.694 18218 5929 1 11 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.924 -3.348 18218 5930 1 11 . 1 1 96 96 ALA H H 96 8.062 8.062 8.286 -0.224 18218 5931 1 11 . 1 1 97 97 GLY N N 97 108.048 108.048 111.140 -3.092 18218 5932 1 11 . 1 1 97 97 GLY C C 97 171.418 171.418 173.291 -1.873 18218 5933 1 11 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.255 -2.115 18218 5934 1 11 . 1 1 97 97 GLY H H 97 8.196 8.196 7.818 0.378 18218 5935 1 11 . 1 1 98 98 GLU N N 98 121.445 121.445 120.494 0.951 18218 5936 1 11 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.322 -0.057 18218 5937 1 11 . 1 1 98 98 GLU C C 98 172.987 172.987 176.819 -3.832 18218 5938 1 11 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.789 -3.512 18218 5939 1 11 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.361 -3.965 18218 5940 1 11 . 1 1 98 98 GLU H H 98 8.086 8.086 8.129 -0.043 18218 5941 1 12 . 1 1 2 2 SER N N 2 116.234 116.234 115.554 0.680 18218 5942 1 12 . 1 1 2 2 SER HA H 2 4.828 4.828 5.035 -0.207 18218 5943 1 12 . 1 1 2 2 SER C C 2 171.696 171.696 173.944 -2.248 18218 5944 1 12 . 1 1 2 2 SER CA C 2 55.273 55.273 58.190 -2.917 18218 5945 1 12 . 1 1 2 2 SER CB C 2 60.624 60.624 64.460 -3.836 18218 5946 1 12 . 1 1 2 2 SER H H 2 7.958 7.958 8.663 -0.705 18218 5947 1 12 . 1 1 3 3 ALA N N 3 125.895 125.895 124.367 1.528 18218 5948 1 12 . 1 1 3 3 ALA C C 3 174.633 174.633 176.902 -2.269 18218 5949 1 12 . 1 1 3 3 ALA CA C 3 49.719 49.719 53.496 -3.777 18218 5950 1 12 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.604 -3.092 18218 5951 1 12 . 1 1 3 3 ALA H H 3 8.273 8.273 8.716 -0.443 18218 5952 1 12 . 1 1 4 4 ASN N N 4 118.166 118.166 116.326 1.840 18218 5953 1 12 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.513 0.088 18218 5954 1 12 . 1 1 4 4 ASN C C 4 172.089 172.089 174.332 -2.243 18218 5955 1 12 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.664 -3.395 18218 5956 1 12 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.485 -2.914 18218 5957 1 12 . 1 1 4 4 ASN H H 4 8.307 8.307 8.298 0.009 18218 5958 1 12 . 1 1 5 5 ARG N N 5 121.553 121.553 119.027 2.526 18218 5959 1 12 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.205 -0.036 18218 5960 1 12 . 1 1 5 5 ARG C C 5 173.013 173.013 175.662 -2.649 18218 5961 1 12 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.705 -3.891 18218 5962 1 12 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.365 -3.147 18218 5963 1 12 . 1 1 5 5 ARG H H 5 8.058 8.058 8.537 -0.479 18218 5964 1 12 . 1 1 6 6 ARG N N 6 122.689 122.689 123.974 -1.285 18218 5965 1 12 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.522 -0.581 18218 5966 1 12 . 1 1 6 6 ARG C C 6 173.392 173.392 175.952 -2.560 18218 5967 1 12 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.590 -4.325 18218 5968 1 12 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.235 -5.029 18218 5969 1 12 . 1 1 6 6 ARG H H 6 8.122 8.122 8.770 -0.648 18218 5970 1 12 . 1 1 7 7 TRP N N 7 120.901 120.901 120.766 0.135 18218 5971 1 12 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.509 -0.091 18218 5972 1 12 . 1 1 7 7 TRP C C 7 172.557 172.557 175.212 -2.655 18218 5973 1 12 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.336 -2.815 18218 5974 1 12 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.227 -3.148 18218 5975 1 12 . 1 1 7 7 TRP H H 7 7.585 7.585 8.193 -0.608 18218 5976 1 12 . 1 1 8 8 TRP N N 8 118.192 118.192 125.739 -7.547 18218 5977 1 12 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.521 -0.070 18218 5978 1 12 . 1 1 8 8 TRP C C 8 171.456 171.456 175.819 -4.363 18218 5979 1 12 . 1 1 8 8 TRP CA C 8 53.942 53.942 58.376 -4.434 18218 5980 1 12 . 1 1 8 8 TRP CB C 8 25.510 25.510 30.581 -5.071 18218 5981 1 12 . 1 1 8 8 TRP H H 8 6.811 6.811 7.898 -1.087 18218 5982 1 12 . 1 1 9 9 VAL N N 9 122.005 122.005 117.856 4.149 18218 5983 1 12 . 1 1 9 9 VAL HA H 9 4.152 4.152 3.780 0.372 18218 5984 1 12 . 1 1 9 9 VAL C C 9 170.671 170.671 173.589 -2.918 18218 5985 1 12 . 1 1 9 9 VAL CA C 9 56.083 56.083 62.249 -6.166 18218 5986 1 12 . 1 1 9 9 VAL CB C 9 29.180 29.180 29.904 -0.723 18218 5987 1 12 . 1 1 9 9 VAL H H 9 6.949 6.949 7.749 -0.800 18218 5988 1 12 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.910 -2.578 18218 5989 1 12 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.477 -3.094 18218 5990 1 12 . 1 1 12 12 ASP N N 12 119.443 119.443 122.945 -3.502 18218 5991 1 12 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.722 -0.198 18218 5992 1 12 . 1 1 12 12 ASP C C 12 174.215 174.215 174.846 -0.631 18218 5993 1 12 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.547 -3.121 18218 5994 1 12 . 1 1 12 12 ASP CB C 12 37.279 37.279 42.714 -5.435 18218 5995 1 12 . 1 1 12 12 ASP H H 12 8.241 8.241 8.410 -0.169 18218 5996 1 12 . 1 1 13 13 ASP N N 13 119.369 119.369 122.531 -3.162 18218 5997 1 12 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.570 0.010 18218 5998 1 12 . 1 1 13 13 ASP C C 13 175.379 175.379 175.525 -0.146 18218 5999 1 12 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.931 -3.824 18218 6000 1 12 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.673 -4.331 18218 6001 1 12 . 1 1 13 13 ASP H H 13 7.980 7.980 8.406 -0.426 18218 6002 1 12 . 1 1 14 14 GLU N N 14 121.036 121.036 124.821 -3.785 18218 6003 1 12 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.330 -0.170 18218 6004 1 12 . 1 1 14 14 GLU C C 14 173.633 173.633 175.387 -1.754 18218 6005 1 12 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.238 -2.122 18218 6006 1 12 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.687 -3.481 18218 6007 1 12 . 1 1 14 14 GLU H H 14 8.197 8.197 8.461 -0.264 18218 6008 1 12 . 1 1 15 15 ASP N N 15 120.130 120.130 122.191 -2.061 18218 6009 1 12 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.850 -0.208 18218 6010 1 12 . 1 1 15 15 ASP C C 15 173.595 173.595 176.448 -2.853 18218 6011 1 12 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.167 -1.712 18218 6012 1 12 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.908 -5.439 18218 6013 1 12 . 1 1 15 15 ASP H H 15 8.308 8.308 7.920 0.388 18218 6014 1 12 . 1 1 16 16 CYS N N 16 118.700 118.700 122.043 -3.343 18218 6015 1 12 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.370 0.081 18218 6016 1 12 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.123 -4.387 18218 6017 1 12 . 1 1 16 16 CYS CB C 16 24.687 24.687 27.948 -3.261 18218 6018 1 12 . 1 1 16 16 CYS H H 16 7.968 7.968 8.739 -0.771 18218 6019 1 12 . 1 1 17 17 VAL N N 17 123.275 123.275 117.497 5.778 18218 6020 1 12 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.074 -0.346 18218 6021 1 12 . 1 1 17 17 VAL C C 17 174.430 174.430 175.394 -0.964 18218 6022 1 12 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.433 0.071 18218 6023 1 12 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.382 -4.151 18218 6024 1 12 . 1 1 17 17 VAL H H 17 8.550 8.550 8.347 0.203 18218 6025 1 12 . 1 1 18 18 SER N N 18 116.499 116.499 112.924 3.575 18218 6026 1 12 . 1 1 18 18 SER HA H 18 3.822 3.822 4.101 -0.279 18218 6027 1 12 . 1 1 18 18 SER CA C 18 58.484 58.484 58.788 -0.304 18218 6028 1 12 . 1 1 18 18 SER CB C 18 59.109 59.109 63.785 -4.676 18218 6029 1 12 . 1 1 18 18 SER H H 18 8.447 8.447 8.051 0.396 18218 6030 1 12 . 1 1 19 19 GLU N N 19 121.940 121.940 120.181 1.759 18218 6031 1 12 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.971 0.039 18218 6032 1 12 . 1 1 19 19 GLU C C 19 175.544 175.544 178.517 -2.973 18218 6033 1 12 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.229 -3.609 18218 6034 1 12 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.534 -4.087 18218 6035 1 12 . 1 1 19 19 GLU H H 19 7.686 7.686 8.879 -1.193 18218 6036 1 12 . 1 1 20 20 LYS N N 20 119.855 119.855 120.964 -1.109 18218 6037 1 12 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.064 -0.144 18218 6038 1 12 . 1 1 20 20 LYS C C 20 173.696 173.696 178.942 -5.246 18218 6039 1 12 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.255 -3.201 18218 6040 1 12 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.228 -3.301 18218 6041 1 12 . 1 1 20 20 LYS H H 20 7.898 7.898 7.682 0.216 18218 6042 1 12 . 1 1 21 21 LEU N N 21 119.542 119.542 121.449 -1.907 18218 6043 1 12 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.064 -0.023 18218 6044 1 12 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.654 -3.307 18218 6045 1 12 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.103 -2.685 18218 6046 1 12 . 1 1 21 21 LEU H H 21 8.056 8.056 8.241 -0.185 18218 6047 1 12 . 1 1 22 22 LEU N N 22 120.384 120.384 119.445 0.939 18218 6048 1 12 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.843 0.207 18218 6049 1 12 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.133 -3.786 18218 6050 1 12 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.105 -3.193 18218 6051 1 12 . 1 1 22 22 LEU H H 22 8.097 8.097 8.556 -0.459 18218 6052 1 12 . 1 1 23 23 ARG N N 23 119.486 119.486 117.257 2.229 18218 6053 1 12 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.006 -0.011 18218 6054 1 12 . 1 1 23 23 ARG C C 23 175.443 175.443 178.268 -2.825 18218 6055 1 12 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.644 -2.822 18218 6056 1 12 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.518 -4.186 18218 6057 1 12 . 1 1 23 23 ARG H H 23 8.032 8.032 7.903 0.129 18218 6058 1 12 . 1 1 24 24 LYS N N 24 119.009 119.009 118.571 0.438 18218 6059 1 12 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.021 0.119 18218 6060 1 12 . 1 1 24 24 LYS C C 24 175.633 175.633 177.665 -2.032 18218 6061 1 12 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.762 -4.039 18218 6062 1 12 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.592 -3.982 18218 6063 1 12 . 1 1 24 24 LYS H H 24 7.860 7.860 7.892 -0.032 18218 6064 1 12 . 1 1 25 25 THR N N 25 112.776 112.776 116.890 -4.114 18218 6065 1 12 . 1 1 25 25 THR HA H 25 4.005 4.005 4.041 -0.036 18218 6066 1 12 . 1 1 25 25 THR C C 25 172.646 172.646 174.642 -1.996 18218 6067 1 12 . 1 1 25 25 THR CA C 25 61.810 61.810 63.679 -1.869 18218 6068 1 12 . 1 1 25 25 THR CB C 25 65.753 65.753 68.919 -3.166 18218 6069 1 12 . 1 1 25 25 THR H H 25 7.867 7.867 8.037 -0.170 18218 6070 1 12 . 1 1 26 26 ARG N N 26 119.996 119.996 124.447 -4.451 18218 6071 1 12 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.150 -0.003 18218 6072 1 12 . 1 1 26 26 ARG C C 26 174.278 174.278 176.778 -2.500 18218 6073 1 12 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.823 -2.476 18218 6074 1 12 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.897 -3.869 18218 6075 1 12 . 1 1 26 26 ARG H H 26 7.765 7.765 8.300 -0.535 18218 6076 1 12 . 1 1 27 27 GLU N N 27 118.067 118.067 119.926 -1.859 18218 6077 1 12 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.333 -0.046 18218 6078 1 12 . 1 1 27 27 GLU C C 27 173.582 173.582 176.483 -2.901 18218 6079 1 12 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.412 -3.048 18218 6080 1 12 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.296 -4.090 18218 6081 1 12 . 1 1 27 27 GLU H H 27 7.764 7.764 8.493 -0.729 18218 6082 1 12 . 1 1 28 28 SER N N 28 115.900 115.900 115.004 0.896 18218 6083 1 12 . 1 1 28 28 SER HA H 28 4.740 4.740 4.337 0.403 18218 6084 1 12 . 1 1 28 28 SER C C 28 170.481 170.481 172.606 -2.125 18218 6085 1 12 . 1 1 28 28 SER CA C 28 53.132 53.132 58.311 -5.179 18218 6086 1 12 . 1 1 28 28 SER CB C 28 60.624 60.624 63.015 -2.391 18218 6087 1 12 . 1 1 28 28 SER H H 28 7.630 7.630 8.563 -0.933 18218 6088 1 12 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.719 -0.183 18218 6089 1 12 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.711 -2.420 18218 6090 1 12 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.286 -2.839 18218 6091 1 12 . 1 1 30 30 LEU N N 30 120.365 120.365 117.443 2.922 18218 6092 1 12 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.462 -0.253 18218 6093 1 12 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.754 -3.998 18218 6094 1 12 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.169 -3.245 18218 6095 1 12 . 1 1 30 30 LEU H H 30 8.034 8.034 8.104 -0.070 18218 6096 1 12 . 1 1 31 31 VAL N N 31 117.988 117.988 121.477 -3.489 18218 6097 1 12 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.814 0.419 18218 6098 1 12 . 1 1 31 31 VAL C C 31 171.899 171.899 175.559 -3.660 18218 6099 1 12 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.518 -9.931 18218 6100 1 12 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.085 -0.375 18218 6101 1 12 . 1 1 31 31 VAL H H 31 7.499 7.499 8.298 -0.799 18218 6102 1 12 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.368 0.169 18218 6103 1 12 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.685 -5.589 18218 6104 1 12 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.015 -3.265 18218 6105 1 12 . 1 1 33 33 ILE N N 33 121.507 121.507 116.398 5.109 18218 6106 1 12 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.623 0.296 18218 6107 1 12 . 1 1 33 33 ILE C C 33 173.025 173.025 177.987 -4.962 18218 6108 1 12 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.724 -4.852 18218 6109 1 12 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.879 -2.384 18218 6110 1 12 . 1 1 33 33 ILE H H 33 7.982 7.982 8.152 -0.171 18218 6111 1 12 . 1 1 34 34 GLY N N 34 111.381 111.381 107.824 3.557 18218 6112 1 12 . 1 1 34 34 GLY C C 34 172.987 172.987 175.710 -2.723 18218 6113 1 12 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.867 -3.860 18218 6114 1 12 . 1 1 34 34 GLY H H 34 8.540 8.540 8.554 -0.014 18218 6115 1 12 . 1 1 35 35 LEU N N 35 122.626 122.626 123.216 -0.590 18218 6116 1 12 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.877 0.372 18218 6117 1 12 . 1 1 35 35 LEU C C 35 175.637 175.637 178.805 -3.168 18218 6118 1 12 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.727 -3.495 18218 6119 1 12 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.760 -3.151 18218 6120 1 12 . 1 1 35 35 LEU H H 35 7.964 7.964 7.735 0.229 18218 6121 1 12 . 1 1 36 36 GLY N N 36 106.708 106.708 106.214 0.494 18218 6122 1 12 . 1 1 36 36 GLY C C 36 172.647 172.647 176.069 -3.422 18218 6123 1 12 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.249 -2.823 18218 6124 1 12 . 1 1 36 36 GLY H H 36 8.521 8.521 8.435 0.086 18218 6125 1 12 . 1 1 37 37 GLY N N 37 108.586 108.586 108.852 -0.266 18218 6126 1 12 . 1 1 37 37 GLY C C 37 173.291 173.291 175.782 -2.491 18218 6127 1 12 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.743 -2.607 18218 6128 1 12 . 1 1 37 37 GLY H H 37 8.270 8.270 8.313 -0.043 18218 6129 1 12 . 1 1 38 38 CYS N N 38 119.678 119.678 121.289 -1.611 18218 6130 1 12 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.233 0.011 18218 6131 1 12 . 1 1 38 38 CYS C C 38 174.215 174.215 176.384 -2.169 18218 6132 1 12 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.484 -3.248 18218 6133 1 12 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.604 -4.245 18218 6134 1 12 . 1 1 38 38 CYS H H 38 7.836 7.836 8.172 -0.336 18218 6135 1 12 . 1 1 39 39 LEU N N 39 120.798 120.798 122.066 -1.268 18218 6136 1 12 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.018 0.095 18218 6137 1 12 . 1 1 39 39 LEU C C 39 175.506 175.506 178.237 -2.731 18218 6138 1 12 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.163 -3.295 18218 6139 1 12 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.178 -4.329 18218 6140 1 12 . 1 1 39 39 LEU H H 39 7.999 7.999 8.101 -0.102 18218 6141 1 12 . 1 1 40 40 VAL N N 40 118.510 118.510 119.550 -1.040 18218 6142 1 12 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.658 -0.062 18218 6143 1 12 . 1 1 40 40 VAL C C 40 174.544 174.544 177.696 -3.152 18218 6144 1 12 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.783 -3.064 18218 6145 1 12 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.748 -3.834 18218 6146 1 12 . 1 1 40 40 VAL H H 40 7.803 7.803 8.005 -0.202 18218 6147 1 12 . 1 1 41 41 VAL N N 41 119.131 119.131 119.936 -0.805 18218 6148 1 12 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.583 0.109 18218 6149 1 12 . 1 1 41 41 VAL C C 41 175.924 175.924 177.628 -1.704 18218 6150 1 12 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.509 -3.050 18218 6151 1 12 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.715 -3.674 18218 6152 1 12 . 1 1 41 41 VAL H H 41 7.624 7.624 8.234 -0.610 18218 6153 1 12 . 1 1 42 42 ALA N N 42 122.172 122.172 121.703 0.469 18218 6154 1 12 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.990 0.115 18218 6155 1 12 . 1 1 42 42 ALA C C 42 176.582 176.582 178.678 -2.096 18218 6156 1 12 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.636 -3.371 18218 6157 1 12 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.988 -3.108 18218 6158 1 12 . 1 1 42 42 ALA H H 42 8.008 8.008 8.515 -0.507 18218 6159 1 12 . 1 1 43 43 ALA N N 43 119.990 119.990 122.356 -2.366 18218 6160 1 12 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.114 -0.123 18218 6161 1 12 . 1 1 43 43 ALA C C 43 176.455 176.455 179.406 -2.951 18218 6162 1 12 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.971 -2.678 18218 6163 1 12 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.056 -3.176 18218 6164 1 12 . 1 1 43 43 ALA H H 43 8.400 8.400 7.367 1.033 18218 6165 1 12 . 1 1 44 44 TYR N N 44 118.221 118.221 120.418 -2.197 18218 6166 1 12 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.318 -0.099 18218 6167 1 12 . 1 1 44 44 TYR C C 44 175.177 175.177 177.681 -2.504 18218 6168 1 12 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.457 -3.176 18218 6169 1 12 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.726 -4.104 18218 6170 1 12 . 1 1 44 44 TYR H H 44 8.345 8.345 8.706 -0.361 18218 6171 1 12 . 1 1 45 45 ARG N N 45 119.104 119.104 120.549 -1.445 18218 6172 1 12 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.920 -0.087 18218 6173 1 12 . 1 1 45 45 ARG C C 45 176.531 176.531 178.696 -2.165 18218 6174 1 12 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.761 -3.330 18218 6175 1 12 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.973 -3.767 18218 6176 1 12 . 1 1 45 45 ARG H H 45 8.275 8.275 8.195 0.080 18218 6177 1 12 . 1 1 46 46 ILE N N 46 119.719 119.719 120.290 -0.571 18218 6178 1 12 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.667 0.034 18218 6179 1 12 . 1 1 46 46 ILE C C 46 174.873 174.873 177.971 -3.098 18218 6180 1 12 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.933 -3.499 18218 6181 1 12 . 1 1 46 46 ILE CB C 46 33.862 33.862 36.920 -3.058 18218 6182 1 12 . 1 1 46 46 ILE H H 46 8.119 8.119 8.535 -0.416 18218 6183 1 12 . 1 1 47 47 TYR N N 47 121.419 121.419 119.533 1.886 18218 6184 1 12 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.071 -0.089 18218 6185 1 12 . 1 1 47 47 TYR C C 47 175.544 175.544 178.151 -2.607 18218 6186 1 12 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.600 -3.001 18218 6187 1 12 . 1 1 47 47 TYR CB C 47 34.875 34.875 37.912 -3.037 18218 6188 1 12 . 1 1 47 47 TYR H H 47 8.383 8.383 7.969 0.414 18218 6189 1 12 . 1 1 48 48 ARG N N 48 118.278 118.278 118.637 -0.359 18218 6190 1 12 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.836 -0.144 18218 6191 1 12 . 1 1 48 48 ARG C C 48 175.671 175.671 178.095 -2.424 18218 6192 1 12 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.935 -3.980 18218 6193 1 12 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.140 -4.187 18218 6194 1 12 . 1 1 48 48 ARG H H 48 8.074 8.074 7.922 0.152 18218 6195 1 12 . 1 1 49 49 LEU N N 49 120.350 120.350 119.085 1.265 18218 6196 1 12 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.952 0.196 18218 6197 1 12 . 1 1 49 49 LEU C C 49 175.772 175.772 177.770 -1.998 18218 6198 1 12 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.503 -3.995 18218 6199 1 12 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.648 -3.167 18218 6200 1 12 . 1 1 49 49 LEU H H 49 7.744 7.744 8.125 -0.381 18218 6201 1 12 . 1 1 50 50 ARG N N 50 117.990 117.990 119.569 -1.579 18218 6202 1 12 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.125 0.029 18218 6203 1 12 . 1 1 50 50 ARG C C 50 174.139 174.139 174.872 -0.733 18218 6204 1 12 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.093 -3.035 18218 6205 1 12 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.650 -4.444 18218 6206 1 12 . 1 1 50 50 ARG H H 50 7.686 7.686 7.925 -0.239 18218 6207 1 12 . 1 1 51 51 SER N N 51 115.124 115.124 115.268 -0.144 18218 6208 1 12 . 1 1 51 51 SER HA H 51 4.274 4.274 4.195 0.079 18218 6209 1 12 . 1 1 51 51 SER C C 51 172.392 172.392 173.600 -1.208 18218 6210 1 12 . 1 1 51 51 SER CA C 51 56.112 56.112 59.133 -3.021 18218 6211 1 12 . 1 1 51 51 SER CB C 51 60.075 60.075 63.281 -3.206 18218 6212 1 12 . 1 1 51 51 SER H H 51 7.873 7.873 8.559 -0.686 18218 6213 1 12 . 1 1 52 52 ARG N N 52 122.132 122.132 126.789 -4.657 18218 6214 1 12 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.381 -0.105 18218 6215 1 12 . 1 1 52 52 ARG C C 52 174.316 174.316 176.584 -2.268 18218 6216 1 12 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.375 -1.953 18218 6217 1 12 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.614 -4.282 18218 6218 1 12 . 1 1 52 52 ARG H H 52 7.923 7.923 8.461 -0.538 18218 6219 1 12 . 1 1 53 53 GLY N N 53 108.907 108.907 113.811 -4.904 18218 6220 1 12 . 1 1 53 53 GLY C C 53 171.405 171.405 174.429 -3.024 18218 6221 1 12 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.813 -3.354 18218 6222 1 12 . 1 1 53 53 GLY H H 53 8.142 8.142 8.658 -0.516 18218 6223 1 12 . 1 1 54 54 SER N N 54 115.609 115.609 116.630 -1.021 18218 6224 1 12 . 1 1 54 54 SER HA H 54 4.470 4.470 4.673 -0.203 18218 6225 1 12 . 1 1 54 54 SER C C 54 172.367 172.367 173.847 -1.480 18218 6226 1 12 . 1 1 54 54 SER CA C 54 55.504 55.504 58.528 -3.024 18218 6227 1 12 . 1 1 54 54 SER CB C 54 60.537 60.537 63.737 -3.200 18218 6228 1 12 . 1 1 54 54 SER H H 54 8.042 8.042 8.143 -0.101 18218 6229 1 12 . 1 1 55 55 THR N N 55 117.148 117.148 114.950 2.198 18218 6230 1 12 . 1 1 55 55 THR HA H 55 4.244 4.244 4.344 -0.100 18218 6231 1 12 . 1 1 55 55 THR C C 55 171.785 171.785 173.375 -1.590 18218 6232 1 12 . 1 1 55 55 THR CA C 55 59.612 59.612 63.089 -3.477 18218 6233 1 12 . 1 1 55 55 THR CB C 55 66.322 66.322 69.281 -2.958 18218 6234 1 12 . 1 1 55 55 THR H H 55 8.123 8.123 7.848 0.275 18218 6235 1 12 . 1 1 56 56 LYS N N 56 123.462 123.462 121.613 1.849 18218 6236 1 12 . 1 1 56 56 LYS HA H 56 4.244 4.244 3.957 0.287 18218 6237 1 12 . 1 1 56 56 LYS C C 56 173.848 173.848 175.423 -1.575 18218 6238 1 12 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.180 -3.614 18218 6239 1 12 . 1 1 56 56 LYS CB C 56 29.117 29.117 31.375 -2.257 18218 6240 1 12 . 1 1 56 56 LYS H H 56 8.184 8.184 8.391 -0.207 18218 6241 1 12 . 1 1 57 57 MET N N 57 121.145 121.145 114.692 6.453 18218 6242 1 12 . 1 1 57 57 MET HA H 57 4.425 4.425 4.381 0.044 18218 6243 1 12 . 1 1 57 57 MET C C 57 172.835 172.835 175.021 -2.186 18218 6244 1 12 . 1 1 57 57 MET CA C 57 52.930 52.930 56.296 -3.366 18218 6245 1 12 . 1 1 57 57 MET CB C 57 29.876 29.876 33.301 -3.425 18218 6246 1 12 . 1 1 57 57 MET H H 57 8.153 8.153 8.373 -0.220 18218 6247 1 12 . 1 1 58 58 SER N N 58 116.811 116.811 115.862 0.949 18218 6248 1 12 . 1 1 58 58 SER HA H 58 4.470 4.470 4.691 -0.221 18218 6249 1 12 . 1 1 58 58 SER C C 58 171.620 171.620 173.722 -2.102 18218 6250 1 12 . 1 1 58 58 SER CA C 58 55.041 55.041 58.114 -3.073 18218 6251 1 12 . 1 1 58 58 SER CB C 58 60.653 60.653 64.410 -3.757 18218 6252 1 12 . 1 1 58 58 SER H H 58 7.895 7.895 7.599 0.296 18218 6253 1 12 . 1 1 59 59 ILE N N 59 122.346 122.346 124.200 -1.854 18218 6254 1 12 . 1 1 59 59 ILE HA H 59 3.990 3.990 3.726 0.264 18218 6255 1 12 . 1 1 59 59 ILE C C 59 173.127 173.127 175.558 -2.431 18218 6256 1 12 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.278 -3.736 18218 6257 1 12 . 1 1 59 59 ILE CB C 59 34.938 34.938 35.453 -0.515 18218 6258 1 12 . 1 1 59 59 ILE H H 59 8.110 8.110 8.854 -0.744 18218 6259 1 12 . 1 1 60 60 HIS N N 60 121.006 121.006 119.002 2.004 18218 6260 1 12 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.630 -0.616 18218 6261 1 12 . 1 1 60 60 HIS C C 60 172.443 172.443 174.956 -2.513 18218 6262 1 12 . 1 1 60 60 HIS CA C 60 53.364 53.364 57.063 -3.699 18218 6263 1 12 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.334 -4.824 18218 6264 1 12 . 1 1 60 60 HIS H H 60 8.235 8.235 8.227 0.008 18218 6265 1 12 . 1 1 61 61 LEU N N 61 120.472 120.472 120.872 -0.400 18218 6266 1 12 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.495 -0.306 18218 6267 1 12 . 1 1 61 61 LEU CA C 61 53.190 53.190 53.756 -0.566 18218 6268 1 12 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.253 -3.389 18218 6269 1 12 . 1 1 61 61 LEU H H 61 8.045 8.045 7.074 0.971 18218 6270 1 12 . 1 1 62 62 ILE N N 62 117.281 117.281 114.485 2.796 18218 6271 1 12 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.847 0.050 18218 6272 1 12 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.067 -2.918 18218 6273 1 12 . 1 1 62 62 ILE CB C 62 34.432 34.432 36.691 -2.259 18218 6274 1 12 . 1 1 62 62 ILE H H 62 7.555 7.555 8.079 -0.524 18218 6275 1 12 . 1 1 63 63 HIS N N 63 119.488 119.488 120.711 -1.223 18218 6276 1 12 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.724 -0.087 18218 6277 1 12 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.496 -3.058 18218 6278 1 12 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.730 -4.600 18218 6279 1 12 . 1 1 63 63 HIS H H 63 8.179 8.179 8.018 0.161 18218 6280 1 12 . 1 1 64 64 THR N N 64 112.132 112.132 116.753 -4.621 18218 6281 1 12 . 1 1 64 64 THR HA H 64 4.296 4.296 4.416 -0.120 18218 6282 1 12 . 1 1 64 64 THR C C 64 175.063 175.063 174.593 0.470 18218 6283 1 12 . 1 1 64 64 THR CA C 64 58.802 58.802 62.064 -3.262 18218 6284 1 12 . 1 1 64 64 THR CB C 64 67.588 67.588 71.491 -3.903 18218 6285 1 12 . 1 1 64 64 THR H H 64 7.576 7.576 7.686 -0.110 18218 6286 1 12 . 1 1 65 65 ARG N N 65 123.493 123.493 126.074 -2.581 18218 6287 1 12 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.025 0.271 18218 6288 1 12 . 1 1 65 65 ARG C C 65 175.633 175.633 178.037 -2.404 18218 6289 1 12 . 1 1 65 65 ARG CA C 65 55.331 55.331 59.409 -4.078 18218 6290 1 12 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.988 -3.845 18218 6291 1 12 . 1 1 65 65 ARG H H 65 8.713 8.713 8.754 -0.041 18218 6292 1 12 . 1 1 66 66 VAL N N 66 117.974 117.974 118.872 -0.898 18218 6293 1 12 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.658 0.339 18218 6294 1 12 . 1 1 66 66 VAL C C 66 174.215 174.215 178.093 -3.878 18218 6295 1 12 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.763 -5.069 18218 6296 1 12 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.037 -2.996 18218 6297 1 12 . 1 1 66 66 VAL H H 66 7.987 7.987 8.235 -0.248 18218 6298 1 12 . 1 1 67 67 ALA N N 67 123.016 123.016 122.389 0.627 18218 6299 1 12 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.008 -0.008 18218 6300 1 12 . 1 1 67 67 ALA C C 67 175.367 175.367 179.529 -4.162 18218 6301 1 12 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.219 -3.099 18218 6302 1 12 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.029 -3.276 18218 6303 1 12 . 1 1 67 67 ALA H H 67 7.645 7.645 8.168 -0.523 18218 6304 1 12 . 1 1 68 68 ALA N N 68 120.682 120.682 120.956 -0.274 18218 6305 1 12 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.725 0.454 18218 6306 1 12 . 1 1 68 68 ALA C C 68 178.354 178.354 179.709 -1.355 18218 6307 1 12 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.232 -3.083 18218 6308 1 12 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.070 -3.317 18218 6309 1 12 . 1 1 68 68 ALA H H 68 7.931 7.931 8.326 -0.395 18218 6310 1 12 . 1 1 69 69 GLN N N 69 119.129 119.129 119.206 -0.077 18218 6311 1 12 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.812 0.464 18218 6312 1 12 . 1 1 69 69 GLN C C 69 175.430 175.430 178.531 -3.101 18218 6313 1 12 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.926 -3.653 18218 6314 1 12 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.552 -3.422 18218 6315 1 12 . 1 1 69 69 GLN H H 69 8.213 8.213 8.377 -0.164 18218 6316 1 12 . 1 1 70 70 ALA N N 70 122.065 122.065 121.481 0.584 18218 6317 1 12 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.811 0.189 18218 6318 1 12 . 1 1 70 70 ALA C C 70 176.734 176.734 179.195 -2.461 18218 6319 1 12 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.814 -2.665 18218 6320 1 12 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.836 -3.083 18218 6321 1 12 . 1 1 70 70 ALA H H 70 8.397 8.397 8.413 -0.016 18218 6322 1 12 . 1 1 71 71 CYS N N 71 115.893 115.893 116.342 -0.449 18218 6323 1 12 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.930 0.123 18218 6324 1 12 . 1 1 71 71 CYS C C 71 173.696 173.696 176.873 -3.177 18218 6325 1 12 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.509 -3.058 18218 6326 1 12 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.677 -4.192 18218 6327 1 12 . 1 1 71 71 CYS H H 71 8.169 8.169 8.020 0.149 18218 6328 1 12 . 1 1 72 72 ALA N N 72 122.868 122.868 122.810 0.058 18218 6329 1 12 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.022 0.238 18218 6330 1 12 . 1 1 72 72 ALA C C 72 177.886 177.886 178.900 -1.014 18218 6331 1 12 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.429 -3.396 18218 6332 1 12 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.055 -3.302 18218 6333 1 12 . 1 1 72 72 ALA H H 72 7.742 7.742 8.159 -0.417 18218 6334 1 12 . 1 1 73 73 VAL N N 73 118.066 118.066 116.156 1.910 18218 6335 1 12 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.591 0.185 18218 6336 1 12 . 1 1 73 73 VAL C C 73 175.696 175.696 178.010 -2.314 18218 6337 1 12 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.319 -3.670 18218 6338 1 12 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.979 -2.875 18218 6339 1 12 . 1 1 73 73 VAL H H 73 8.050 8.050 8.157 -0.107 18218 6340 1 12 . 1 1 74 74 GLY N N 74 109.146 109.146 106.783 2.363 18218 6341 1 12 . 1 1 74 74 GLY C C 74 171.962 171.962 175.157 -3.195 18218 6342 1 12 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.715 -2.145 18218 6343 1 12 . 1 1 74 74 GLY H H 74 8.648 8.648 8.030 0.618 18218 6344 1 12 . 1 1 75 75 ALA N N 75 123.035 123.035 125.483 -2.448 18218 6345 1 12 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.110 -0.021 18218 6346 1 12 . 1 1 75 75 ALA C C 75 178.253 178.253 179.319 -1.066 18218 6347 1 12 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.682 -2.244 18218 6348 1 12 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.329 -3.639 18218 6349 1 12 . 1 1 75 75 ALA H H 75 8.213 8.213 7.877 0.336 18218 6350 1 12 . 1 1 76 76 ILE N N 76 120.121 120.121 119.645 0.476 18218 6351 1 12 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.631 0.198 18218 6352 1 12 . 1 1 76 76 ILE C C 76 176.506 176.506 177.653 -1.147 18218 6353 1 12 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.766 -3.448 18218 6354 1 12 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.241 -3.873 18218 6355 1 12 . 1 1 76 76 ILE H H 76 7.523 7.523 8.036 -0.513 18218 6356 1 12 . 1 1 77 77 MET N N 77 120.468 120.468 118.514 1.954 18218 6357 1 12 . 1 1 77 77 MET HA H 77 4.116 4.116 3.973 0.143 18218 6358 1 12 . 1 1 77 77 MET C C 77 175.038 175.038 178.288 -3.250 18218 6359 1 12 . 1 1 77 77 MET CA C 77 56.314 56.314 59.652 -3.338 18218 6360 1 12 . 1 1 77 77 MET CB C 77 34.242 34.242 32.326 1.916 18218 6361 1 12 . 1 1 77 77 MET H H 77 8.239 8.239 8.063 0.176 18218 6362 1 12 . 1 1 78 78 LEU N N 78 119.389 119.389 119.606 -0.217 18218 6363 1 12 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.828 0.136 18218 6364 1 12 . 1 1 78 78 LEU C C 78 176.202 176.202 178.648 -2.446 18218 6365 1 12 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.295 -3.427 18218 6366 1 12 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.691 -3.906 18218 6367 1 12 . 1 1 78 78 LEU H H 78 8.571 8.571 8.329 0.242 18218 6368 1 12 . 1 1 79 79 GLY N N 79 105.857 105.857 105.900 -0.043 18218 6369 1 12 . 1 1 79 79 GLY C C 79 173.861 173.861 175.622 -1.761 18218 6370 1 12 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.507 -3.255 18218 6371 1 12 . 1 1 79 79 GLY H H 79 8.006 8.006 8.191 -0.185 18218 6372 1 12 . 1 1 80 80 ALA N N 80 125.631 125.631 124.955 0.676 18218 6373 1 12 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.924 0.371 18218 6374 1 12 . 1 1 80 80 ALA C C 80 177.544 177.544 179.780 -2.236 18218 6375 1 12 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.170 -3.166 18218 6376 1 12 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.367 -3.677 18218 6377 1 12 . 1 1 80 80 ALA H H 80 7.971 7.971 7.934 0.037 18218 6378 1 12 . 1 1 81 81 VAL N N 81 118.858 118.858 119.630 -0.772 18218 6379 1 12 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.458 0.282 18218 6380 1 12 . 1 1 81 81 VAL C C 81 174.974 174.974 177.903 -2.929 18218 6381 1 12 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.991 -3.677 18218 6382 1 12 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.541 -3.753 18218 6383 1 12 . 1 1 81 81 VAL H H 81 8.206 8.206 8.279 -0.073 18218 6384 1 12 . 1 1 82 82 TYR N N 82 121.151 121.151 119.592 1.559 18218 6385 1 12 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.040 0.237 18218 6386 1 12 . 1 1 82 82 TYR C C 82 176.038 176.038 178.392 -2.354 18218 6387 1 12 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.018 -3.216 18218 6388 1 12 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.189 -3.757 18218 6389 1 12 . 1 1 82 82 TYR H H 82 8.614 8.614 8.719 -0.105 18218 6390 1 12 . 1 1 83 83 THR N N 83 118.253 118.253 116.020 2.233 18218 6391 1 12 . 1 1 83 83 THR HA H 83 4.340 4.340 3.869 0.471 18218 6392 1 12 . 1 1 83 83 THR CA C 83 63.980 63.980 67.052 -3.072 18218 6393 1 12 . 1 1 83 83 THR CB C 83 65.437 65.437 68.835 -3.398 18218 6394 1 12 . 1 1 83 83 THR H H 83 8.361 8.361 8.443 -0.082 18218 6395 1 12 . 1 1 84 84 MET N N 84 121.616 121.616 122.084 -0.468 18218 6396 1 12 . 1 1 84 84 MET C C 84 175.949 175.949 177.938 -1.989 18218 6397 1 12 . 1 1 84 84 MET CA C 84 56.603 56.603 59.367 -2.764 18218 6398 1 12 . 1 1 84 84 MET CB C 84 29.180 29.180 32.439 -3.259 18218 6399 1 12 . 1 1 84 84 MET H H 84 8.053 8.053 8.592 -0.539 18218 6400 1 12 . 1 1 85 85 TYR N N 85 120.690 120.690 119.379 1.311 18218 6401 1 12 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.094 0.076 18218 6402 1 12 . 1 1 85 85 TYR C C 85 173.709 173.709 177.501 -3.792 18218 6403 1 12 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.428 -2.944 18218 6404 1 12 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.342 -3.404 18218 6405 1 12 . 1 1 85 85 TYR H H 85 8.543 8.543 8.643 -0.100 18218 6406 1 12 . 1 1 86 86 SER N N 86 115.536 115.536 114.677 0.859 18218 6407 1 12 . 1 1 86 86 SER HA H 86 3.802 3.802 4.224 -0.422 18218 6408 1 12 . 1 1 86 86 SER C C 86 174.709 174.709 176.483 -1.774 18218 6409 1 12 . 1 1 86 86 SER CA C 86 58.542 58.542 61.742 -3.200 18218 6410 1 12 . 1 1 86 86 SER CB C 86 59.243 59.243 63.219 -3.977 18218 6411 1 12 . 1 1 86 86 SER H H 86 8.422 8.422 8.103 0.319 18218 6412 1 12 . 1 1 87 87 ASP N N 87 121.132 121.132 122.843 -1.711 18218 6413 1 12 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.329 0.020 18218 6414 1 12 . 1 1 87 87 ASP C C 87 175.177 175.177 177.847 -2.670 18218 6415 1 12 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.745 -2.976 18218 6416 1 12 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.824 -4.494 18218 6417 1 12 . 1 1 87 87 ASP H H 87 8.295 8.295 8.319 -0.024 18218 6418 1 12 . 1 1 88 88 TYR N N 88 122.430 122.430 118.850 3.580 18218 6419 1 12 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.130 -0.014 18218 6420 1 12 . 1 1 88 88 TYR C C 88 174.772 174.772 176.695 -1.923 18218 6421 1 12 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.154 -1.612 18218 6422 1 12 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.336 -3.208 18218 6423 1 12 . 1 1 88 88 TYR H H 88 7.919 7.919 8.033 -0.114 18218 6424 1 12 . 1 1 89 89 VAL N N 89 118.321 118.321 120.326 -2.005 18218 6425 1 12 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.185 0.241 18218 6426 1 12 . 1 1 89 89 VAL C C 89 176.101 176.101 176.022 0.079 18218 6427 1 12 . 1 1 89 89 VAL CA C 89 62.794 62.794 65.885 -3.091 18218 6428 1 12 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.391 -3.540 18218 6429 1 12 . 1 1 89 89 VAL H H 89 8.121 8.121 7.712 0.409 18218 6430 1 12 . 1 1 90 90 LYS N N 90 120.272 120.272 116.965 3.307 18218 6431 1 12 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.913 0.096 18218 6432 1 12 . 1 1 90 90 LYS C C 90 176.126 176.126 176.209 -0.083 18218 6433 1 12 . 1 1 90 90 LYS CA C 90 55.851 55.851 57.410 -1.559 18218 6434 1 12 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.055 -2.445 18218 6435 1 12 . 1 1 90 90 LYS H H 90 7.708 7.708 8.337 -0.629 18218 6436 1 12 . 1 1 91 91 ARG N N 91 119.904 119.904 118.910 0.994 18218 6437 1 12 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.372 -0.344 18218 6438 1 12 . 1 1 91 91 ARG C C 91 175.544 175.544 175.599 -0.055 18218 6439 1 12 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.385 -1.199 18218 6440 1 12 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.718 -5.449 18218 6441 1 12 . 1 1 91 91 ARG H H 91 7.685 7.685 8.208 -0.523 18218 6442 1 12 . 1 1 92 92 MET N N 92 118.654 118.654 118.284 0.370 18218 6443 1 12 . 1 1 92 92 MET HA H 92 4.248 4.248 4.608 -0.360 18218 6444 1 12 . 1 1 92 92 MET C C 92 174.810 174.810 174.231 0.579 18218 6445 1 12 . 1 1 92 92 MET CA C 92 53.508 53.508 55.228 -1.720 18218 6446 1 12 . 1 1 92 92 MET CB C 92 26.016 26.016 35.457 -9.441 18218 6447 1 12 . 1 1 92 92 MET H H 92 7.790 7.790 7.738 0.052 18218 6448 1 12 . 1 1 93 93 ALA N N 93 122.890 122.890 125.660 -2.770 18218 6449 1 12 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.512 -0.301 18218 6450 1 12 . 1 1 93 93 ALA C C 93 175.633 175.633 177.210 -1.577 18218 6451 1 12 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.806 -2.884 18218 6452 1 12 . 1 1 93 93 ALA CB C 93 15.259 15.259 20.319 -5.060 18218 6453 1 12 . 1 1 93 93 ALA H H 93 7.648 7.648 8.690 -1.042 18218 6454 1 12 . 1 1 94 94 GLN N N 94 119.315 119.315 117.457 1.858 18218 6455 1 12 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.358 -0.159 18218 6456 1 12 . 1 1 94 94 GLN C C 94 173.676 173.676 174.348 -0.672 18218 6457 1 12 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.733 -2.369 18218 6458 1 12 . 1 1 94 94 GLN CB C 94 25.890 25.890 30.128 -4.237 18218 6459 1 12 . 1 1 94 94 GLN H H 94 7.887 7.887 8.199 -0.312 18218 6460 1 12 . 1 1 95 95 ASP N N 95 121.546 121.546 120.936 0.610 18218 6461 1 12 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.453 0.107 18218 6462 1 12 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.468 -2.984 18218 6463 1 12 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.619 -2.897 18218 6464 1 12 . 1 1 95 95 ASP H H 95 8.199 8.199 8.288 -0.089 18218 6465 1 12 . 1 1 96 96 ALA N N 96 125.033 125.033 123.623 1.410 18218 6466 1 12 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.621 -0.366 18218 6467 1 12 . 1 1 96 96 ALA C C 96 175.645 175.645 177.792 -2.147 18218 6468 1 12 . 1 1 96 96 ALA CA C 96 49.777 49.777 51.692 -1.915 18218 6469 1 12 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.878 -3.303 18218 6470 1 12 . 1 1 96 96 ALA H H 96 8.062 8.062 8.261 -0.199 18218 6471 1 12 . 1 1 97 97 GLY N N 97 108.048 108.048 109.501 -1.453 18218 6472 1 12 . 1 1 97 97 GLY C C 97 171.418 171.418 174.365 -2.947 18218 6473 1 12 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.189 -3.049 18218 6474 1 12 . 1 1 97 97 GLY H H 97 8.196 8.196 8.663 -0.467 18218 6475 1 12 . 1 1 98 98 GLU N N 98 121.445 121.445 118.762 2.683 18218 6476 1 12 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.092 0.173 18218 6477 1 12 . 1 1 98 98 GLU C C 98 172.987 172.987 175.889 -2.902 18218 6478 1 12 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.130 -2.853 18218 6479 1 12 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.168 -3.772 18218 6480 1 12 . 1 1 98 98 GLU H H 98 8.086 8.086 8.056 0.030 18218 6481 1 13 . 1 1 2 2 SER N N 2 116.234 116.234 116.311 -0.077 18218 6482 1 13 . 1 1 2 2 SER HA H 2 4.828 4.828 4.289 0.539 18218 6483 1 13 . 1 1 2 2 SER C C 2 171.696 171.696 173.843 -2.147 18218 6484 1 13 . 1 1 2 2 SER CA C 2 55.273 55.273 58.270 -2.997 18218 6485 1 13 . 1 1 2 2 SER CB C 2 60.624 60.624 63.968 -3.344 18218 6486 1 13 . 1 1 2 2 SER H H 2 7.958 7.958 8.383 -0.425 18218 6487 1 13 . 1 1 3 3 ALA N N 3 125.895 125.895 124.939 0.956 18218 6488 1 13 . 1 1 3 3 ALA C C 3 174.633 174.633 176.184 -1.551 18218 6489 1 13 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.228 -2.509 18218 6490 1 13 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.332 -2.820 18218 6491 1 13 . 1 1 3 3 ALA H H 3 8.273 8.273 8.402 -0.129 18218 6492 1 13 . 1 1 4 4 ASN N N 4 118.166 118.166 121.096 -2.930 18218 6493 1 13 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.785 -0.185 18218 6494 1 13 . 1 1 4 4 ASN C C 4 172.089 172.089 173.746 -1.657 18218 6495 1 13 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.697 -3.428 18218 6496 1 13 . 1 1 4 4 ASN CB C 4 35.571 35.571 40.365 -4.794 18218 6497 1 13 . 1 1 4 4 ASN H H 4 8.307 8.307 8.071 0.236 18218 6498 1 13 . 1 1 5 5 ARG N N 5 121.553 121.553 122.404 -0.851 18218 6499 1 13 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.678 -0.509 18218 6500 1 13 . 1 1 5 5 ARG C C 5 173.013 173.013 175.135 -2.122 18218 6501 1 13 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.191 -3.377 18218 6502 1 13 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.305 -4.087 18218 6503 1 13 . 1 1 5 5 ARG H H 5 8.058 8.058 8.491 -0.433 18218 6504 1 13 . 1 1 6 6 ARG N N 6 122.689 122.689 124.182 -1.493 18218 6505 1 13 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.543 -0.602 18218 6506 1 13 . 1 1 6 6 ARG C C 6 173.392 173.392 174.548 -1.156 18218 6507 1 13 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.499 -4.234 18218 6508 1 13 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.395 -5.189 18218 6509 1 13 . 1 1 6 6 ARG H H 6 8.122 8.122 8.710 -0.588 18218 6510 1 13 . 1 1 7 7 TRP N N 7 120.901 120.901 125.310 -4.409 18218 6511 1 13 . 1 1 7 7 TRP HA H 7 4.418 4.418 5.128 -0.710 18218 6512 1 13 . 1 1 7 7 TRP C C 7 172.557 172.557 174.449 -1.892 18218 6513 1 13 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.662 -2.141 18218 6514 1 13 . 1 1 7 7 TRP CB C 7 26.079 26.079 28.818 -2.739 18218 6515 1 13 . 1 1 7 7 TRP H H 7 7.585 7.585 8.620 -1.035 18218 6516 1 13 . 1 1 8 8 TRP N N 8 118.192 118.192 123.725 -5.533 18218 6517 1 13 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.688 -0.237 18218 6518 1 13 . 1 1 8 8 TRP C C 8 171.456 171.456 176.749 -5.293 18218 6519 1 13 . 1 1 8 8 TRP CA C 8 53.942 53.942 59.280 -5.338 18218 6520 1 13 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.759 -4.249 18218 6521 1 13 . 1 1 8 8 TRP H H 8 6.811 6.811 8.065 -1.254 18218 6522 1 13 . 1 1 9 9 VAL N N 9 122.005 122.005 119.617 2.388 18218 6523 1 13 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.198 -0.046 18218 6524 1 13 . 1 1 9 9 VAL C C 9 170.671 170.671 173.994 -3.323 18218 6525 1 13 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.743 -4.660 18218 6526 1 13 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.209 -2.029 18218 6527 1 13 . 1 1 9 9 VAL H H 9 6.949 6.949 7.866 -0.917 18218 6528 1 13 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.469 -2.137 18218 6529 1 13 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.524 -3.141 18218 6530 1 13 . 1 1 12 12 ASP N N 12 119.443 119.443 119.101 0.342 18218 6531 1 13 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.788 -0.264 18218 6532 1 13 . 1 1 12 12 ASP C C 12 174.215 174.215 175.184 -0.969 18218 6533 1 13 . 1 1 12 12 ASP CA C 12 51.426 51.426 53.486 -2.060 18218 6534 1 13 . 1 1 12 12 ASP CB C 12 37.279 37.279 42.016 -4.737 18218 6535 1 13 . 1 1 12 12 ASP H H 12 8.241 8.241 8.315 -0.074 18218 6536 1 13 . 1 1 13 13 ASP N N 13 119.369 119.369 121.622 -2.253 18218 6537 1 13 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.690 -0.110 18218 6538 1 13 . 1 1 13 13 ASP C C 13 175.379 175.379 175.571 -0.192 18218 6539 1 13 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.147 -3.040 18218 6540 1 13 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.642 -4.300 18218 6541 1 13 . 1 1 13 13 ASP H H 13 7.980 7.980 8.650 -0.670 18218 6542 1 13 . 1 1 14 14 GLU N N 14 121.036 121.036 120.008 1.028 18218 6543 1 13 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.190 -0.030 18218 6544 1 13 . 1 1 14 14 GLU C C 14 173.633 173.633 174.629 -0.996 18218 6545 1 13 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.246 -3.130 18218 6546 1 13 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.232 -3.026 18218 6547 1 13 . 1 1 14 14 GLU H H 14 8.197 8.197 8.504 -0.307 18218 6548 1 13 . 1 1 15 15 ASP N N 15 120.130 120.130 117.892 2.238 18218 6549 1 13 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.760 -0.118 18218 6550 1 13 . 1 1 15 15 ASP C C 15 173.595 173.595 175.638 -2.043 18218 6551 1 13 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.517 -2.062 18218 6552 1 13 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.287 -4.818 18218 6553 1 13 . 1 1 15 15 ASP H H 15 8.308 8.308 8.057 0.251 18218 6554 1 13 . 1 1 16 16 CYS N N 16 118.700 118.700 118.064 0.636 18218 6555 1 13 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.832 -0.381 18218 6556 1 13 . 1 1 16 16 CYS CA C 16 55.736 55.736 58.879 -3.143 18218 6557 1 13 . 1 1 16 16 CYS CB C 16 24.687 24.687 29.920 -5.233 18218 6558 1 13 . 1 1 16 16 CYS H H 16 7.968 7.968 8.512 -0.544 18218 6559 1 13 . 1 1 17 17 VAL N N 17 123.275 123.275 115.215 8.060 18218 6560 1 13 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.455 -0.727 18218 6561 1 13 . 1 1 17 17 VAL C C 17 174.430 174.430 174.897 -0.467 18218 6562 1 13 . 1 1 17 17 VAL CA C 17 62.504 62.504 61.544 0.960 18218 6563 1 13 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.296 -5.065 18218 6564 1 13 . 1 1 17 17 VAL H H 17 8.550 8.550 7.864 0.686 18218 6565 1 13 . 1 1 18 18 SER N N 18 116.499 116.499 114.759 1.740 18218 6566 1 13 . 1 1 18 18 SER HA H 18 3.822 3.822 4.029 -0.207 18218 6567 1 13 . 1 1 18 18 SER CA C 18 58.484 58.484 59.062 -0.578 18218 6568 1 13 . 1 1 18 18 SER CB C 18 59.109 59.109 63.102 -3.993 18218 6569 1 13 . 1 1 18 18 SER H H 18 8.447 8.447 7.984 0.463 18218 6570 1 13 . 1 1 19 19 GLU N N 19 121.940 121.940 119.872 2.068 18218 6571 1 13 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.981 0.029 18218 6572 1 13 . 1 1 19 19 GLU C C 19 175.544 175.544 178.402 -2.858 18218 6573 1 13 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.175 -3.555 18218 6574 1 13 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.175 -3.728 18218 6575 1 13 . 1 1 19 19 GLU H H 19 7.686 7.686 8.849 -1.163 18218 6576 1 13 . 1 1 20 20 LYS N N 20 119.855 119.855 121.203 -1.348 18218 6577 1 13 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.039 -0.119 18218 6578 1 13 . 1 1 20 20 LYS C C 20 173.696 173.696 178.526 -4.830 18218 6579 1 13 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.211 -3.157 18218 6580 1 13 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.605 -3.678 18218 6581 1 13 . 1 1 20 20 LYS H H 20 7.898 7.898 7.536 0.362 18218 6582 1 13 . 1 1 21 21 LEU N N 21 119.542 119.542 121.044 -1.502 18218 6583 1 13 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.133 -0.092 18218 6584 1 13 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.081 -2.734 18218 6585 1 13 . 1 1 21 21 LEU CB C 21 38.418 38.418 40.946 -2.527 18218 6586 1 13 . 1 1 21 21 LEU H H 21 8.056 8.056 8.344 -0.288 18218 6587 1 13 . 1 1 22 22 LEU N N 22 120.384 120.384 121.151 -0.767 18218 6588 1 13 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.854 0.196 18218 6589 1 13 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.593 -4.246 18218 6590 1 13 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.918 -4.006 18218 6591 1 13 . 1 1 22 22 LEU H H 22 8.097 8.097 8.405 -0.308 18218 6592 1 13 . 1 1 23 23 ARG N N 23 119.486 119.486 118.016 1.470 18218 6593 1 13 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.027 -0.032 18218 6594 1 13 . 1 1 23 23 ARG C C 23 175.443 175.443 178.195 -2.752 18218 6595 1 13 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.044 -2.221 18218 6596 1 13 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.241 -3.909 18218 6597 1 13 . 1 1 23 23 ARG H H 23 8.032 8.032 7.907 0.125 18218 6598 1 13 . 1 1 24 24 LYS N N 24 119.009 119.009 118.266 0.743 18218 6599 1 13 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.040 0.100 18218 6600 1 13 . 1 1 24 24 LYS C C 24 175.633 175.633 177.628 -1.995 18218 6601 1 13 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.572 -3.849 18218 6602 1 13 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.609 -3.999 18218 6603 1 13 . 1 1 24 24 LYS H H 24 7.860 7.860 7.946 -0.086 18218 6604 1 13 . 1 1 25 25 THR N N 25 112.776 112.776 117.179 -4.403 18218 6605 1 13 . 1 1 25 25 THR HA H 25 4.005 4.005 4.074 -0.069 18218 6606 1 13 . 1 1 25 25 THR C C 25 172.646 172.646 174.223 -1.577 18218 6607 1 13 . 1 1 25 25 THR CA C 25 61.810 61.810 64.289 -2.479 18218 6608 1 13 . 1 1 25 25 THR CB C 25 65.753 65.753 68.769 -3.016 18218 6609 1 13 . 1 1 25 25 THR H H 25 7.867 7.867 7.868 -0.001 18218 6610 1 13 . 1 1 26 26 ARG N N 26 119.996 119.996 124.780 -4.784 18218 6611 1 13 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.141 0.006 18218 6612 1 13 . 1 1 26 26 ARG C C 26 174.278 174.278 176.832 -2.554 18218 6613 1 13 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.769 -2.421 18218 6614 1 13 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.819 -3.791 18218 6615 1 13 . 1 1 26 26 ARG H H 26 7.765 7.765 8.066 -0.301 18218 6616 1 13 . 1 1 27 27 GLU N N 27 118.067 118.067 119.611 -1.544 18218 6617 1 13 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.579 -0.292 18218 6618 1 13 . 1 1 27 27 GLU C C 27 173.582 173.582 175.144 -1.562 18218 6619 1 13 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.318 -2.954 18218 6620 1 13 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.430 -3.224 18218 6621 1 13 . 1 1 27 27 GLU H H 27 7.764 7.764 8.497 -0.733 18218 6622 1 13 . 1 1 28 28 SER N N 28 115.900 115.900 116.502 -0.602 18218 6623 1 13 . 1 1 28 28 SER HA H 28 4.740 4.740 5.027 -0.287 18218 6624 1 13 . 1 1 28 28 SER C C 28 170.481 170.481 172.565 -2.084 18218 6625 1 13 . 1 1 28 28 SER CA C 28 53.132 53.132 56.291 -3.159 18218 6626 1 13 . 1 1 28 28 SER CB C 28 60.624 60.624 64.047 -3.423 18218 6627 1 13 . 1 1 28 28 SER H H 28 7.630 7.630 8.045 -0.415 18218 6628 1 13 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.576 -0.040 18218 6629 1 13 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.454 -2.163 18218 6630 1 13 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.567 -3.120 18218 6631 1 13 . 1 1 30 30 LEU N N 30 120.365 120.365 121.404 -1.039 18218 6632 1 13 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.363 -0.154 18218 6633 1 13 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.168 -3.412 18218 6634 1 13 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.283 -3.359 18218 6635 1 13 . 1 1 30 30 LEU H H 30 8.034 8.034 8.221 -0.187 18218 6636 1 13 . 1 1 31 31 VAL N N 31 117.988 117.988 121.550 -3.562 18218 6637 1 13 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.855 0.378 18218 6638 1 13 . 1 1 31 31 VAL C C 31 171.899 171.899 175.771 -3.872 18218 6639 1 13 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.028 -10.441 18218 6640 1 13 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.014 -0.304 18218 6641 1 13 . 1 1 31 31 VAL H H 31 7.499 7.499 8.413 -0.914 18218 6642 1 13 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.375 0.162 18218 6643 1 13 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.627 -5.532 18218 6644 1 13 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.227 -3.477 18218 6645 1 13 . 1 1 33 33 ILE N N 33 121.507 121.507 118.674 2.833 18218 6646 1 13 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.690 0.229 18218 6647 1 13 . 1 1 33 33 ILE C C 33 173.025 173.025 178.525 -5.500 18218 6648 1 13 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.218 -4.346 18218 6649 1 13 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.984 -2.489 18218 6650 1 13 . 1 1 33 33 ILE H H 33 7.982 7.982 8.043 -0.061 18218 6651 1 13 . 1 1 34 34 GLY N N 34 111.381 111.381 107.832 3.549 18218 6652 1 13 . 1 1 34 34 GLY C C 34 172.987 172.987 176.252 -3.265 18218 6653 1 13 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.916 -3.908 18218 6654 1 13 . 1 1 34 34 GLY H H 34 8.540 8.540 8.595 -0.055 18218 6655 1 13 . 1 1 35 35 LEU N N 35 122.626 122.626 123.732 -1.106 18218 6656 1 13 . 1 1 35 35 LEU HA H 35 4.249 4.249 4.035 0.214 18218 6657 1 13 . 1 1 35 35 LEU C C 35 175.637 175.637 179.382 -3.745 18218 6658 1 13 . 1 1 35 35 LEU CA C 35 54.232 54.232 58.473 -4.241 18218 6659 1 13 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.727 -3.119 18218 6660 1 13 . 1 1 35 35 LEU H H 35 7.964 7.964 7.829 0.135 18218 6661 1 13 . 1 1 36 36 GLY N N 36 106.708 106.708 106.078 0.630 18218 6662 1 13 . 1 1 36 36 GLY C C 36 172.647 172.647 176.230 -3.583 18218 6663 1 13 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.313 -2.887 18218 6664 1 13 . 1 1 36 36 GLY H H 36 8.521 8.521 8.593 -0.072 18218 6665 1 13 . 1 1 37 37 GLY N N 37 108.586 108.586 108.525 0.061 18218 6666 1 13 . 1 1 37 37 GLY C C 37 173.291 173.291 176.259 -2.968 18218 6667 1 13 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.882 -2.746 18218 6668 1 13 . 1 1 37 37 GLY H H 37 8.270 8.270 8.363 -0.093 18218 6669 1 13 . 1 1 38 38 CYS N N 38 119.678 119.678 121.407 -1.729 18218 6670 1 13 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.433 -0.189 18218 6671 1 13 . 1 1 38 38 CYS C C 38 174.215 174.215 176.645 -2.430 18218 6672 1 13 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.151 -2.915 18218 6673 1 13 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.070 -3.711 18218 6674 1 13 . 1 1 38 38 CYS H H 38 7.836 7.836 8.096 -0.260 18218 6675 1 13 . 1 1 39 39 LEU N N 39 120.798 120.798 122.311 -1.513 18218 6676 1 13 . 1 1 39 39 LEU HA H 39 4.113 4.113 4.101 0.012 18218 6677 1 13 . 1 1 39 39 LEU C C 39 175.506 175.506 178.718 -3.212 18218 6678 1 13 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.255 -3.387 18218 6679 1 13 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.139 -4.290 18218 6680 1 13 . 1 1 39 39 LEU H H 39 7.999 7.999 8.098 -0.099 18218 6681 1 13 . 1 1 40 40 VAL N N 40 118.510 118.510 119.198 -0.688 18218 6682 1 13 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.637 -0.041 18218 6683 1 13 . 1 1 40 40 VAL C C 40 174.544 174.544 177.546 -3.002 18218 6684 1 13 . 1 1 40 40 VAL CA C 40 63.719 63.719 67.198 -3.479 18218 6685 1 13 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.637 -3.723 18218 6686 1 13 . 1 1 40 40 VAL H H 40 7.803 7.803 8.052 -0.249 18218 6687 1 13 . 1 1 41 41 VAL N N 41 119.131 119.131 117.693 1.438 18218 6688 1 13 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.509 0.183 18218 6689 1 13 . 1 1 41 41 VAL C C 41 175.924 175.924 177.699 -1.775 18218 6690 1 13 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.578 -3.119 18218 6691 1 13 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.073 -3.032 18218 6692 1 13 . 1 1 41 41 VAL H H 41 7.624 7.624 8.031 -0.407 18218 6693 1 13 . 1 1 42 42 ALA N N 42 122.172 122.172 121.247 0.925 18218 6694 1 13 . 1 1 42 42 ALA HA H 42 4.105 4.105 4.040 0.065 18218 6695 1 13 . 1 1 42 42 ALA C C 42 176.582 176.582 179.098 -2.516 18218 6696 1 13 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.126 -2.861 18218 6697 1 13 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.882 -3.002 18218 6698 1 13 . 1 1 42 42 ALA H H 42 8.008 8.008 8.543 -0.535 18218 6699 1 13 . 1 1 43 43 ALA N N 43 119.990 119.990 122.678 -2.688 18218 6700 1 13 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.102 -0.111 18218 6701 1 13 . 1 1 43 43 ALA C C 43 176.455 176.455 179.827 -3.372 18218 6702 1 13 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.052 -2.759 18218 6703 1 13 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.185 -3.305 18218 6704 1 13 . 1 1 43 43 ALA H H 43 8.400 8.400 7.725 0.675 18218 6705 1 13 . 1 1 44 44 TYR N N 44 118.221 118.221 118.622 -0.401 18218 6706 1 13 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.107 0.112 18218 6707 1 13 . 1 1 44 44 TYR C C 44 175.177 175.177 178.017 -2.840 18218 6708 1 13 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.702 -3.421 18218 6709 1 13 . 1 1 44 44 TYR CB C 44 34.622 34.622 37.951 -3.329 18218 6710 1 13 . 1 1 44 44 TYR H H 44 8.345 8.345 8.574 -0.229 18218 6711 1 13 . 1 1 45 45 ARG N N 45 119.104 119.104 120.325 -1.221 18218 6712 1 13 . 1 1 45 45 ARG HA H 45 3.833 3.833 4.034 -0.201 18218 6713 1 13 . 1 1 45 45 ARG C C 45 176.531 176.531 178.825 -2.294 18218 6714 1 13 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.774 -3.344 18218 6715 1 13 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.161 -3.955 18218 6716 1 13 . 1 1 45 45 ARG H H 45 8.275 8.275 8.139 0.136 18218 6717 1 13 . 1 1 46 46 ILE N N 46 119.719 119.719 119.965 -0.246 18218 6718 1 13 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.817 -0.116 18218 6719 1 13 . 1 1 46 46 ILE C C 46 174.873 174.873 177.796 -2.923 18218 6720 1 13 . 1 1 46 46 ILE CA C 46 61.434 61.434 63.655 -2.221 18218 6721 1 13 . 1 1 46 46 ILE CB C 46 33.862 33.862 36.991 -3.129 18218 6722 1 13 . 1 1 46 46 ILE H H 46 8.119 8.119 8.384 -0.265 18218 6723 1 13 . 1 1 47 47 TYR N N 47 121.419 121.419 121.175 0.244 18218 6724 1 13 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.989 -0.007 18218 6725 1 13 . 1 1 47 47 TYR C C 47 175.544 175.544 177.255 -1.711 18218 6726 1 13 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.913 -3.314 18218 6727 1 13 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.214 -3.339 18218 6728 1 13 . 1 1 47 47 TYR H H 47 8.383 8.383 8.256 0.127 18218 6729 1 13 . 1 1 48 48 ARG N N 48 118.278 118.278 117.113 1.165 18218 6730 1 13 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.022 -0.330 18218 6731 1 13 . 1 1 48 48 ARG C C 48 175.671 175.671 178.003 -2.332 18218 6732 1 13 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.523 -3.568 18218 6733 1 13 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.460 -4.507 18218 6734 1 13 . 1 1 48 48 ARG H H 48 8.074 8.074 7.979 0.095 18218 6735 1 13 . 1 1 49 49 LEU N N 49 120.350 120.350 119.144 1.206 18218 6736 1 13 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.981 0.167 18218 6737 1 13 . 1 1 49 49 LEU C C 49 175.772 175.772 177.939 -2.167 18218 6738 1 13 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.822 -4.314 18218 6739 1 13 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.323 -3.842 18218 6740 1 13 . 1 1 49 49 LEU H H 49 7.744 7.744 8.211 -0.467 18218 6741 1 13 . 1 1 50 50 ARG N N 50 117.990 117.990 119.266 -1.276 18218 6742 1 13 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.178 -0.024 18218 6743 1 13 . 1 1 50 50 ARG C C 50 174.139 174.139 174.808 -0.669 18218 6744 1 13 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.461 -3.403 18218 6745 1 13 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.362 -4.156 18218 6746 1 13 . 1 1 50 50 ARG H H 50 7.686 7.686 7.968 -0.281 18218 6747 1 13 . 1 1 51 51 SER N N 51 115.124 115.124 115.997 -0.873 18218 6748 1 13 . 1 1 51 51 SER HA H 51 4.274 4.274 4.522 -0.248 18218 6749 1 13 . 1 1 51 51 SER C C 51 172.392 172.392 173.802 -1.410 18218 6750 1 13 . 1 1 51 51 SER CA C 51 56.112 56.112 57.337 -1.225 18218 6751 1 13 . 1 1 51 51 SER CB C 51 60.075 60.075 64.793 -4.718 18218 6752 1 13 . 1 1 51 51 SER H H 51 7.873 7.873 8.384 -0.511 18218 6753 1 13 . 1 1 52 52 ARG N N 52 122.132 122.132 122.994 -0.862 18218 6754 1 13 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.611 -0.335 18218 6755 1 13 . 1 1 52 52 ARG C C 52 174.316 174.316 175.500 -1.184 18218 6756 1 13 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.473 -3.051 18218 6757 1 13 . 1 1 52 52 ARG CB C 52 26.332 26.332 29.799 -3.467 18218 6758 1 13 . 1 1 52 52 ARG H H 52 7.923 7.923 8.735 -0.812 18218 6759 1 13 . 1 1 53 53 GLY N N 53 108.907 108.907 108.524 0.383 18218 6760 1 13 . 1 1 53 53 GLY C C 53 171.405 171.405 174.091 -2.686 18218 6761 1 13 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.731 -3.272 18218 6762 1 13 . 1 1 53 53 GLY H H 53 8.142 8.142 8.160 -0.018 18218 6763 1 13 . 1 1 54 54 SER N N 54 115.609 115.609 112.041 3.568 18218 6764 1 13 . 1 1 54 54 SER HA H 54 4.470 4.470 4.566 -0.096 18218 6765 1 13 . 1 1 54 54 SER C C 54 172.367 172.367 174.348 -1.981 18218 6766 1 13 . 1 1 54 54 SER CA C 54 55.504 55.504 58.548 -3.044 18218 6767 1 13 . 1 1 54 54 SER CB C 54 60.537 60.537 63.716 -3.179 18218 6768 1 13 . 1 1 54 54 SER H H 54 8.042 8.042 8.417 -0.375 18218 6769 1 13 . 1 1 55 55 THR N N 55 117.148 117.148 115.393 1.755 18218 6770 1 13 . 1 1 55 55 THR HA H 55 4.244 4.244 4.450 -0.206 18218 6771 1 13 . 1 1 55 55 THR C C 55 171.785 171.785 173.812 -2.027 18218 6772 1 13 . 1 1 55 55 THR CA C 55 59.612 59.612 62.621 -3.009 18218 6773 1 13 . 1 1 55 55 THR CB C 55 66.322 66.322 69.833 -3.511 18218 6774 1 13 . 1 1 55 55 THR H H 55 8.123 8.123 7.730 0.393 18218 6775 1 13 . 1 1 56 56 LYS N N 56 123.462 123.462 124.854 -1.392 18218 6776 1 13 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.353 -0.109 18218 6777 1 13 . 1 1 56 56 LYS C C 56 173.848 173.848 175.815 -1.967 18218 6778 1 13 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.422 -2.856 18218 6779 1 13 . 1 1 56 56 LYS CB C 56 29.117 29.117 31.908 -2.791 18218 6780 1 13 . 1 1 56 56 LYS H H 56 8.184 8.184 8.322 -0.138 18218 6781 1 13 . 1 1 57 57 MET N N 57 121.145 121.145 121.415 -0.270 18218 6782 1 13 . 1 1 57 57 MET HA H 57 4.425 4.425 4.619 -0.194 18218 6783 1 13 . 1 1 57 57 MET C C 57 172.835 172.835 174.999 -2.164 18218 6784 1 13 . 1 1 57 57 MET CA C 57 52.930 52.930 54.641 -1.711 18218 6785 1 13 . 1 1 57 57 MET CB C 57 29.876 29.876 34.156 -4.280 18218 6786 1 13 . 1 1 57 57 MET H H 57 8.153 8.153 8.256 -0.103 18218 6787 1 13 . 1 1 58 58 SER N N 58 116.811 116.811 114.081 2.730 18218 6788 1 13 . 1 1 58 58 SER HA H 58 4.470 4.470 4.213 0.257 18218 6789 1 13 . 1 1 58 58 SER C C 58 171.620 171.620 173.694 -2.074 18218 6790 1 13 . 1 1 58 58 SER CA C 58 55.041 55.041 58.918 -3.877 18218 6791 1 13 . 1 1 58 58 SER CB C 58 60.653 60.653 63.565 -2.912 18218 6792 1 13 . 1 1 58 58 SER H H 58 7.895 7.895 8.282 -0.387 18218 6793 1 13 . 1 1 59 59 ILE N N 59 122.346 122.346 123.502 -1.156 18218 6794 1 13 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.243 -0.253 18218 6795 1 13 . 1 1 59 59 ILE C C 59 173.127 173.127 175.616 -2.489 18218 6796 1 13 . 1 1 59 59 ILE CA C 59 58.542 58.542 60.805 -2.263 18218 6797 1 13 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.745 -3.807 18218 6798 1 13 . 1 1 59 59 ILE H H 59 8.110 8.110 8.113 -0.003 18218 6799 1 13 . 1 1 60 60 HIS N N 60 121.006 121.006 124.144 -3.138 18218 6800 1 13 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.231 -0.217 18218 6801 1 13 . 1 1 60 60 HIS C C 60 172.443 172.443 173.507 -1.064 18218 6802 1 13 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.488 -3.124 18218 6803 1 13 . 1 1 60 60 HIS CB C 60 25.510 25.510 28.925 -3.415 18218 6804 1 13 . 1 1 60 60 HIS H H 60 8.235 8.235 8.564 -0.329 18218 6805 1 13 . 1 1 61 61 LEU N N 61 120.472 120.472 120.057 0.415 18218 6806 1 13 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.379 -0.190 18218 6807 1 13 . 1 1 61 61 LEU CA C 61 53.190 53.190 53.878 -0.688 18218 6808 1 13 . 1 1 61 61 LEU CB C 61 38.864 38.864 45.783 -6.919 18218 6809 1 13 . 1 1 61 61 LEU H H 61 8.045 8.045 7.909 0.136 18218 6810 1 13 . 1 1 62 62 ILE N N 62 117.281 117.281 119.120 -1.839 18218 6811 1 13 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.892 0.005 18218 6812 1 13 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.052 -2.903 18218 6813 1 13 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.395 -3.963 18218 6814 1 13 . 1 1 62 62 ILE H H 62 7.555 7.555 8.257 -0.702 18218 6815 1 13 . 1 1 63 63 HIS N N 63 119.488 119.488 116.809 2.679 18218 6816 1 13 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.360 0.277 18218 6817 1 13 . 1 1 63 63 HIS CA C 63 52.438 52.438 57.296 -4.858 18218 6818 1 13 . 1 1 63 63 HIS CB C 63 25.130 25.130 28.083 -2.953 18218 6819 1 13 . 1 1 63 63 HIS H H 63 8.179 8.179 8.554 -0.375 18218 6820 1 13 . 1 1 64 64 THR N N 64 112.132 112.132 110.765 1.367 18218 6821 1 13 . 1 1 64 64 THR HA H 64 4.296 4.296 4.180 0.116 18218 6822 1 13 . 1 1 64 64 THR C C 64 175.063 175.063 175.454 -0.391 18218 6823 1 13 . 1 1 64 64 THR CA C 64 58.802 58.802 62.734 -3.932 18218 6824 1 13 . 1 1 64 64 THR CB C 64 67.588 67.588 70.022 -2.433 18218 6825 1 13 . 1 1 64 64 THR H H 64 7.576 7.576 7.935 -0.359 18218 6826 1 13 . 1 1 65 65 ARG N N 65 123.493 123.493 118.550 4.943 18218 6827 1 13 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.406 -0.110 18218 6828 1 13 . 1 1 65 65 ARG C C 65 175.633 175.633 177.393 -1.760 18218 6829 1 13 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.492 -2.161 18218 6830 1 13 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.694 -4.551 18218 6831 1 13 . 1 1 65 65 ARG H H 65 8.713 8.713 7.767 0.946 18218 6832 1 13 . 1 1 66 66 VAL N N 66 117.974 117.974 120.969 -2.995 18218 6833 1 13 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.723 0.274 18218 6834 1 13 . 1 1 66 66 VAL C C 66 174.215 174.215 177.064 -2.849 18218 6835 1 13 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.349 -4.655 18218 6836 1 13 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.785 -3.744 18218 6837 1 13 . 1 1 66 66 VAL H H 66 7.987 7.987 8.145 -0.158 18218 6838 1 13 . 1 1 67 67 ALA N N 67 123.016 123.016 121.539 1.477 18218 6839 1 13 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.982 0.018 18218 6840 1 13 . 1 1 67 67 ALA C C 67 175.367 175.367 179.216 -3.849 18218 6841 1 13 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.444 -3.324 18218 6842 1 13 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.909 -3.156 18218 6843 1 13 . 1 1 67 67 ALA H H 67 7.645 7.645 8.385 -0.740 18218 6844 1 13 . 1 1 68 68 ALA N N 68 120.682 120.682 120.481 0.201 18218 6845 1 13 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.919 0.260 18218 6846 1 13 . 1 1 68 68 ALA C C 68 178.354 178.354 179.939 -1.585 18218 6847 1 13 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.106 -2.957 18218 6848 1 13 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.041 -3.288 18218 6849 1 13 . 1 1 68 68 ALA H H 68 7.931 7.931 8.046 -0.115 18218 6850 1 13 . 1 1 69 69 GLN N N 69 119.129 119.129 119.364 -0.235 18218 6851 1 13 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.945 0.331 18218 6852 1 13 . 1 1 69 69 GLN C C 69 175.430 175.430 178.439 -3.009 18218 6853 1 13 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.990 -3.717 18218 6854 1 13 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.423 -3.293 18218 6855 1 13 . 1 1 69 69 GLN H H 69 8.213 8.213 8.077 0.136 18218 6856 1 13 . 1 1 70 70 ALA N N 70 122.065 122.065 121.967 0.098 18218 6857 1 13 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.923 0.077 18218 6858 1 13 . 1 1 70 70 ALA C C 70 176.734 176.734 179.480 -2.746 18218 6859 1 13 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.973 -2.824 18218 6860 1 13 . 1 1 70 70 ALA CB C 70 14.753 14.753 18.085 -3.332 18218 6861 1 13 . 1 1 70 70 ALA H H 70 8.397 8.397 8.684 -0.287 18218 6862 1 13 . 1 1 71 71 CYS N N 71 115.893 115.893 116.768 -0.875 18218 6863 1 13 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.178 -0.125 18218 6864 1 13 . 1 1 71 71 CYS C C 71 173.696 173.696 177.183 -3.487 18218 6865 1 13 . 1 1 71 71 CYS CA C 71 60.451 60.451 62.590 -2.139 18218 6866 1 13 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.835 -3.350 18218 6867 1 13 . 1 1 71 71 CYS H H 71 8.169 8.169 7.976 0.193 18218 6868 1 13 . 1 1 72 72 ALA N N 72 122.868 122.868 123.743 -0.875 18218 6869 1 13 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.070 0.190 18218 6870 1 13 . 1 1 72 72 ALA C C 72 177.886 177.886 179.387 -1.501 18218 6871 1 13 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.479 -3.446 18218 6872 1 13 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.125 -3.372 18218 6873 1 13 . 1 1 72 72 ALA H H 72 7.742 7.742 8.121 -0.379 18218 6874 1 13 . 1 1 73 73 VAL N N 73 118.066 118.066 117.758 0.308 18218 6875 1 13 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.536 0.240 18218 6876 1 13 . 1 1 73 73 VAL C C 73 175.696 175.696 177.994 -2.298 18218 6877 1 13 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.796 -4.146 18218 6878 1 13 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.237 -3.133 18218 6879 1 13 . 1 1 73 73 VAL H H 73 8.050 8.050 8.646 -0.596 18218 6880 1 13 . 1 1 74 74 GLY N N 74 109.146 109.146 106.742 2.404 18218 6881 1 13 . 1 1 74 74 GLY C C 74 171.962 171.962 175.359 -3.397 18218 6882 1 13 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.445 -2.875 18218 6883 1 13 . 1 1 74 74 GLY H H 74 8.648 8.648 8.053 0.595 18218 6884 1 13 . 1 1 75 75 ALA N N 75 123.035 123.035 125.565 -2.530 18218 6885 1 13 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.141 -0.052 18218 6886 1 13 . 1 1 75 75 ALA C C 75 178.253 178.253 179.082 -0.829 18218 6887 1 13 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.647 -2.209 18218 6888 1 13 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.359 -3.669 18218 6889 1 13 . 1 1 75 75 ALA H H 75 8.213 8.213 7.698 0.515 18218 6890 1 13 . 1 1 76 76 ILE N N 76 120.121 120.121 120.035 0.086 18218 6891 1 13 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.556 0.273 18218 6892 1 13 . 1 1 76 76 ILE C C 76 176.506 176.506 177.914 -1.408 18218 6893 1 13 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.571 -3.253 18218 6894 1 13 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.077 -3.709 18218 6895 1 13 . 1 1 76 76 ILE H H 76 7.523 7.523 8.021 -0.498 18218 6896 1 13 . 1 1 77 77 MET N N 77 120.468 120.468 118.888 1.580 18218 6897 1 13 . 1 1 77 77 MET HA H 77 4.116 4.116 3.908 0.208 18218 6898 1 13 . 1 1 77 77 MET C C 77 175.038 175.038 178.216 -3.178 18218 6899 1 13 . 1 1 77 77 MET CA C 77 56.314 56.314 59.850 -3.536 18218 6900 1 13 . 1 1 77 77 MET CB C 77 34.242 34.242 32.648 1.594 18218 6901 1 13 . 1 1 77 77 MET H H 77 8.239 8.239 8.498 -0.259 18218 6902 1 13 . 1 1 78 78 LEU N N 78 119.389 119.389 120.796 -1.407 18218 6903 1 13 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.897 0.067 18218 6904 1 13 . 1 1 78 78 LEU C C 78 176.202 176.202 178.973 -2.771 18218 6905 1 13 . 1 1 78 78 LEU CA C 78 54.868 54.868 59.017 -4.149 18218 6906 1 13 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.765 -3.980 18218 6907 1 13 . 1 1 78 78 LEU H H 78 8.571 8.571 8.539 0.032 18218 6908 1 13 . 1 1 79 79 GLY N N 79 105.857 105.857 105.264 0.593 18218 6909 1 13 . 1 1 79 79 GLY C C 79 173.861 173.861 175.520 -1.659 18218 6910 1 13 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.281 -3.029 18218 6911 1 13 . 1 1 79 79 GLY H H 79 8.006 8.006 8.353 -0.347 18218 6912 1 13 . 1 1 80 80 ALA N N 80 125.631 125.631 126.072 -0.441 18218 6913 1 13 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.136 0.159 18218 6914 1 13 . 1 1 80 80 ALA C C 80 177.544 177.544 180.347 -2.803 18218 6915 1 13 . 1 1 80 80 ALA CA C 80 52.004 52.004 54.873 -2.869 18218 6916 1 13 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.547 -3.857 18218 6917 1 13 . 1 1 80 80 ALA H H 80 7.971 7.971 7.923 0.048 18218 6918 1 13 . 1 1 81 81 VAL N N 81 118.858 118.858 116.241 2.617 18218 6919 1 13 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.650 0.090 18218 6920 1 13 . 1 1 81 81 VAL C C 81 174.974 174.974 177.741 -2.767 18218 6921 1 13 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.021 -2.707 18218 6922 1 13 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.245 -3.457 18218 6923 1 13 . 1 1 81 81 VAL H H 81 8.206 8.206 8.399 -0.193 18218 6924 1 13 . 1 1 82 82 TYR N N 82 121.151 121.151 121.164 -0.013 18218 6925 1 13 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.268 0.009 18218 6926 1 13 . 1 1 82 82 TYR C C 82 176.038 176.038 178.298 -2.260 18218 6927 1 13 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.254 -3.452 18218 6928 1 13 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.759 -4.327 18218 6929 1 13 . 1 1 82 82 TYR H H 82 8.614 8.614 8.329 0.285 18218 6930 1 13 . 1 1 83 83 THR N N 83 118.253 118.253 113.572 4.681 18218 6931 1 13 . 1 1 83 83 THR HA H 83 4.340 4.340 3.934 0.406 18218 6932 1 13 . 1 1 83 83 THR CA C 83 63.980 63.980 66.179 -2.199 18218 6933 1 13 . 1 1 83 83 THR CB C 83 65.437 65.437 68.668 -3.231 18218 6934 1 13 . 1 1 83 83 THR H H 83 8.361 8.361 8.547 -0.186 18218 6935 1 13 . 1 1 84 84 MET N N 84 121.616 121.616 122.923 -1.307 18218 6936 1 13 . 1 1 84 84 MET C C 84 175.949 175.949 178.212 -2.263 18218 6937 1 13 . 1 1 84 84 MET CA C 84 56.603 56.603 59.972 -3.369 18218 6938 1 13 . 1 1 84 84 MET CB C 84 29.180 29.180 32.752 -3.572 18218 6939 1 13 . 1 1 84 84 MET H H 84 8.053 8.053 8.159 -0.106 18218 6940 1 13 . 1 1 85 85 TYR N N 85 120.690 120.690 117.929 2.761 18218 6941 1 13 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.300 -0.130 18218 6942 1 13 . 1 1 85 85 TYR C C 85 173.709 173.709 177.808 -4.099 18218 6943 1 13 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.442 -2.958 18218 6944 1 13 . 1 1 85 85 TYR CB C 85 34.938 34.938 37.976 -3.038 18218 6945 1 13 . 1 1 85 85 TYR H H 85 8.543 8.543 8.492 0.051 18218 6946 1 13 . 1 1 86 86 SER N N 86 115.536 115.536 113.757 1.779 18218 6947 1 13 . 1 1 86 86 SER HA H 86 3.802 3.802 4.389 -0.587 18218 6948 1 13 . 1 1 86 86 SER C C 86 174.709 174.709 176.166 -1.457 18218 6949 1 13 . 1 1 86 86 SER CA C 86 58.542 58.542 60.910 -2.368 18218 6950 1 13 . 1 1 86 86 SER CB C 86 59.243 59.243 63.460 -4.217 18218 6951 1 13 . 1 1 86 86 SER H H 86 8.422 8.422 8.377 0.045 18218 6952 1 13 . 1 1 87 87 ASP N N 87 121.132 121.132 122.997 -1.865 18218 6953 1 13 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.336 0.013 18218 6954 1 13 . 1 1 87 87 ASP C C 87 175.177 175.177 178.078 -2.901 18218 6955 1 13 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.720 -2.951 18218 6956 1 13 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.802 -4.472 18218 6957 1 13 . 1 1 87 87 ASP H H 87 8.295 8.295 8.058 0.237 18218 6958 1 13 . 1 1 88 88 TYR N N 88 122.430 122.430 119.473 2.957 18218 6959 1 13 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.086 0.030 18218 6960 1 13 . 1 1 88 88 TYR C C 88 174.772 174.772 177.227 -2.455 18218 6961 1 13 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.798 -2.256 18218 6962 1 13 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.382 -3.254 18218 6963 1 13 . 1 1 88 88 TYR H H 88 7.919 7.919 7.934 -0.015 18218 6964 1 13 . 1 1 89 89 VAL N N 89 118.321 118.321 116.832 1.489 18218 6965 1 13 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.754 -0.328 18218 6966 1 13 . 1 1 89 89 VAL C C 89 176.101 176.101 176.434 -0.333 18218 6967 1 13 . 1 1 89 89 VAL CA C 89 62.794 62.794 64.657 -1.863 18218 6968 1 13 . 1 1 89 89 VAL CB C 89 27.851 27.851 31.819 -3.967 18218 6969 1 13 . 1 1 89 89 VAL H H 89 8.121 8.121 8.100 0.021 18218 6970 1 13 . 1 1 90 90 LYS N N 90 120.272 120.272 117.403 2.869 18218 6971 1 13 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.054 -0.045 18218 6972 1 13 . 1 1 90 90 LYS C C 90 176.126 176.126 175.563 0.563 18218 6973 1 13 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.886 -1.035 18218 6974 1 13 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.561 -2.951 18218 6975 1 13 . 1 1 90 90 LYS H H 90 7.708 7.708 8.455 -0.747 18218 6976 1 13 . 1 1 91 91 ARG N N 91 119.904 119.904 118.734 1.170 18218 6977 1 13 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.467 -0.439 18218 6978 1 13 . 1 1 91 91 ARG C C 91 175.544 175.544 176.402 -0.858 18218 6979 1 13 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.798 -0.612 18218 6980 1 13 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.757 -4.488 18218 6981 1 13 . 1 1 91 91 ARG H H 91 7.685 7.685 8.217 -0.532 18218 6982 1 13 . 1 1 92 92 MET N N 92 118.654 118.654 120.581 -1.927 18218 6983 1 13 . 1 1 92 92 MET HA H 92 4.248 4.248 4.601 -0.353 18218 6984 1 13 . 1 1 92 92 MET C C 92 174.810 174.810 174.434 0.376 18218 6985 1 13 . 1 1 92 92 MET CA C 92 53.508 53.508 54.966 -1.458 18218 6986 1 13 . 1 1 92 92 MET CB C 92 26.016 26.016 33.719 -7.703 18218 6987 1 13 . 1 1 92 92 MET H H 92 7.790 7.790 7.809 -0.019 18218 6988 1 13 . 1 1 93 93 ALA N N 93 122.890 122.890 121.269 1.621 18218 6989 1 13 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.384 -0.173 18218 6990 1 13 . 1 1 93 93 ALA C C 93 175.633 175.633 175.863 -0.230 18218 6991 1 13 . 1 1 93 93 ALA CA C 93 49.922 49.922 51.966 -2.044 18218 6992 1 13 . 1 1 93 93 ALA CB C 93 15.259 15.259 20.405 -5.146 18218 6993 1 13 . 1 1 93 93 ALA H H 93 7.648 7.648 8.037 -0.389 18218 6994 1 13 . 1 1 94 94 GLN N N 94 119.315 119.315 119.972 -0.657 18218 6995 1 13 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.132 0.067 18218 6996 1 13 . 1 1 94 94 GLN C C 94 173.676 173.676 174.528 -0.852 18218 6997 1 13 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.379 -3.015 18218 6998 1 13 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.343 -2.453 18218 6999 1 13 . 1 1 94 94 GLN H H 94 7.887 7.887 8.361 -0.474 18218 7000 1 13 . 1 1 95 95 ASP N N 95 121.546 121.546 122.533 -0.987 18218 7001 1 13 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.804 -0.244 18218 7002 1 13 . 1 1 95 95 ASP CA C 95 51.484 51.484 53.925 -2.441 18218 7003 1 13 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.298 -2.576 18218 7004 1 13 . 1 1 95 95 ASP H H 95 8.199 8.199 8.427 -0.228 18218 7005 1 13 . 1 1 96 96 ALA N N 96 125.033 125.033 122.370 2.663 18218 7006 1 13 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.167 0.088 18218 7007 1 13 . 1 1 96 96 ALA C C 96 175.645 175.645 177.493 -1.848 18218 7008 1 13 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.137 -2.360 18218 7009 1 13 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.755 -3.179 18218 7010 1 13 . 1 1 96 96 ALA H H 96 8.062 8.062 8.061 0.001 18218 7011 1 13 . 1 1 97 97 GLY N N 97 108.048 108.048 109.935 -1.887 18218 7012 1 13 . 1 1 97 97 GLY C C 97 171.418 171.418 174.738 -3.320 18218 7013 1 13 . 1 1 97 97 GLY CA C 97 42.140 42.140 46.054 -3.914 18218 7014 1 13 . 1 1 97 97 GLY H H 97 8.196 8.196 8.905 -0.709 18218 7015 1 13 . 1 1 98 98 GLU N N 98 121.445 121.445 118.222 3.223 18218 7016 1 13 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.667 -0.402 18218 7017 1 13 . 1 1 98 98 GLU C C 98 172.987 172.987 175.419 -2.432 18218 7018 1 13 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.374 -2.097 18218 7019 1 13 . 1 1 98 98 GLU CB C 98 26.396 26.396 32.148 -5.752 18218 7020 1 13 . 1 1 98 98 GLU H H 98 8.086 8.086 8.453 -0.367 18218 7021 1 14 . 1 1 2 2 SER N N 2 116.234 116.234 116.620 -0.386 18218 7022 1 14 . 1 1 2 2 SER HA H 2 4.828 4.828 4.806 0.022 18218 7023 1 14 . 1 1 2 2 SER C C 2 171.696 171.696 173.300 -1.604 18218 7024 1 14 . 1 1 2 2 SER CA C 2 55.273 55.273 58.598 -3.325 18218 7025 1 14 . 1 1 2 2 SER CB C 2 60.624 60.624 63.980 -3.356 18218 7026 1 14 . 1 1 2 2 SER H H 2 7.958 7.958 8.558 -0.600 18218 7027 1 14 . 1 1 3 3 ALA N N 3 125.895 125.895 125.688 0.207 18218 7028 1 14 . 1 1 3 3 ALA C C 3 174.633 174.633 177.457 -2.824 18218 7029 1 14 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.326 -2.607 18218 7030 1 14 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.379 -3.867 18218 7031 1 14 . 1 1 3 3 ALA H H 3 8.273 8.273 8.213 0.060 18218 7032 1 14 . 1 1 4 4 ASN N N 4 118.166 118.166 116.871 1.295 18218 7033 1 14 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.627 -0.027 18218 7034 1 14 . 1 1 4 4 ASN C C 4 172.089 172.089 174.696 -2.607 18218 7035 1 14 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.226 -2.957 18218 7036 1 14 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.796 -3.225 18218 7037 1 14 . 1 1 4 4 ASN H H 4 8.307 8.307 8.239 0.068 18218 7038 1 14 . 1 1 5 5 ARG N N 5 121.553 121.553 123.306 -1.753 18218 7039 1 14 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.472 -0.303 18218 7040 1 14 . 1 1 5 5 ARG C C 5 173.013 173.013 175.517 -2.504 18218 7041 1 14 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.371 -3.557 18218 7042 1 14 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.324 -4.106 18218 7043 1 14 . 1 1 5 5 ARG H H 5 8.058 8.058 8.191 -0.133 18218 7044 1 14 . 1 1 6 6 ARG N N 6 122.689 122.689 120.590 2.099 18218 7045 1 14 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.210 -0.269 18218 7046 1 14 . 1 1 6 6 ARG C C 6 173.392 173.392 174.618 -1.226 18218 7047 1 14 . 1 1 6 6 ARG CA C 6 52.265 52.265 57.693 -5.428 18218 7048 1 14 . 1 1 6 6 ARG CB C 6 26.206 26.206 29.131 -2.925 18218 7049 1 14 . 1 1 6 6 ARG H H 6 8.122 8.122 8.444 -0.322 18218 7050 1 14 . 1 1 7 7 TRP N N 7 120.901 120.901 123.076 -2.175 18218 7051 1 14 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.397 0.021 18218 7052 1 14 . 1 1 7 7 TRP C C 7 172.557 172.557 176.197 -3.640 18218 7053 1 14 . 1 1 7 7 TRP CA C 7 54.521 54.521 59.398 -4.877 18218 7054 1 14 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.088 -3.009 18218 7055 1 14 . 1 1 7 7 TRP H H 7 7.585 7.585 8.859 -1.274 18218 7056 1 14 . 1 1 8 8 TRP N N 8 118.192 118.192 121.363 -3.171 18218 7057 1 14 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.254 0.197 18218 7058 1 14 . 1 1 8 8 TRP C C 8 171.456 171.456 174.421 -2.965 18218 7059 1 14 . 1 1 8 8 TRP CA C 8 53.942 53.942 58.169 -4.228 18218 7060 1 14 . 1 1 8 8 TRP CB C 8 25.510 25.510 28.755 -3.245 18218 7061 1 14 . 1 1 8 8 TRP H H 8 6.811 6.811 8.220 -1.409 18218 7062 1 14 . 1 1 9 9 VAL N N 9 122.005 122.005 125.805 -3.800 18218 7063 1 14 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.297 -0.145 18218 7064 1 14 . 1 1 9 9 VAL C C 9 170.671 170.671 173.725 -3.054 18218 7065 1 14 . 1 1 9 9 VAL CA C 9 56.083 56.083 61.319 -5.236 18218 7066 1 14 . 1 1 9 9 VAL CB C 9 29.180 29.180 33.137 -3.957 18218 7067 1 14 . 1 1 9 9 VAL H H 9 6.949 6.949 7.511 -0.562 18218 7068 1 14 . 1 1 11 11 PRO CA C 11 60.332 60.332 63.561 -3.229 18218 7069 1 14 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.281 -2.898 18218 7070 1 14 . 1 1 12 12 ASP N N 12 119.443 119.443 115.025 4.418 18218 7071 1 14 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.745 -0.221 18218 7072 1 14 . 1 1 12 12 ASP C C 12 174.215 174.215 174.628 -0.413 18218 7073 1 14 . 1 1 12 12 ASP CA C 12 51.426 51.426 53.368 -1.942 18218 7074 1 14 . 1 1 12 12 ASP CB C 12 37.279 37.279 43.021 -5.742 18218 7075 1 14 . 1 1 12 12 ASP H H 12 8.241 8.241 7.648 0.593 18218 7076 1 14 . 1 1 13 13 ASP N N 13 119.369 119.369 120.006 -0.637 18218 7077 1 14 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.759 -0.179 18218 7078 1 14 . 1 1 13 13 ASP C C 13 175.379 175.379 175.956 -0.577 18218 7079 1 14 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.860 -3.753 18218 7080 1 14 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.600 -5.258 18218 7081 1 14 . 1 1 13 13 ASP H H 13 7.980 7.980 8.544 -0.564 18218 7082 1 14 . 1 1 14 14 GLU N N 14 121.036 121.036 120.663 0.373 18218 7083 1 14 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.471 -0.311 18218 7084 1 14 . 1 1 14 14 GLU C C 14 173.633 173.633 174.303 -0.670 18218 7085 1 14 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.943 -2.827 18218 7086 1 14 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.742 -4.536 18218 7087 1 14 . 1 1 14 14 GLU H H 14 8.197 8.197 8.334 -0.137 18218 7088 1 14 . 1 1 15 15 ASP N N 15 120.130 120.130 124.846 -4.716 18218 7089 1 14 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.931 -0.289 18218 7090 1 14 . 1 1 15 15 ASP C C 15 173.595 173.595 176.780 -3.185 18218 7091 1 14 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.538 -2.083 18218 7092 1 14 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.639 -5.170 18218 7093 1 14 . 1 1 15 15 ASP H H 15 8.308 8.308 8.297 0.011 18218 7094 1 14 . 1 1 16 16 CYS N N 16 118.700 118.700 123.338 -4.638 18218 7095 1 14 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.255 0.196 18218 7096 1 14 . 1 1 16 16 CYS CA C 16 55.736 55.736 61.036 -5.300 18218 7097 1 14 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.156 -3.469 18218 7098 1 14 . 1 1 16 16 CYS H H 16 7.968 7.968 8.634 -0.666 18218 7099 1 14 . 1 1 17 17 VAL N N 17 123.275 123.275 115.534 7.741 18218 7100 1 14 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.172 -0.444 18218 7101 1 14 . 1 1 17 17 VAL C C 17 174.430 174.430 175.087 -0.657 18218 7102 1 14 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.735 -0.231 18218 7103 1 14 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.350 -4.119 18218 7104 1 14 . 1 1 17 17 VAL H H 17 8.550 8.550 7.932 0.618 18218 7105 1 14 . 1 1 18 18 SER N N 18 116.499 116.499 115.138 1.361 18218 7106 1 14 . 1 1 18 18 SER HA H 18 3.822 3.822 4.118 -0.296 18218 7107 1 14 . 1 1 18 18 SER CA C 18 58.484 58.484 59.941 -1.457 18218 7108 1 14 . 1 1 18 18 SER CB C 18 59.109 59.109 63.173 -4.064 18218 7109 1 14 . 1 1 18 18 SER H H 18 8.447 8.447 8.096 0.351 18218 7110 1 14 . 1 1 19 19 GLU N N 19 121.940 121.940 122.519 -0.579 18218 7111 1 14 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.062 -0.052 18218 7112 1 14 . 1 1 19 19 GLU C C 19 175.544 175.544 178.699 -3.155 18218 7113 1 14 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.901 -4.282 18218 7114 1 14 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.465 -4.018 18218 7115 1 14 . 1 1 19 19 GLU H H 19 7.686 7.686 8.856 -1.170 18218 7116 1 14 . 1 1 20 20 LYS N N 20 119.855 119.855 120.991 -1.136 18218 7117 1 14 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.058 -0.138 18218 7118 1 14 . 1 1 20 20 LYS C C 20 173.696 173.696 179.298 -5.602 18218 7119 1 14 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.513 -3.459 18218 7120 1 14 . 1 1 20 20 LYS CB C 20 28.927 28.927 31.998 -3.071 18218 7121 1 14 . 1 1 20 20 LYS H H 20 7.898 7.898 7.848 0.050 18218 7122 1 14 . 1 1 21 21 LEU N N 21 119.542 119.542 120.531 -0.989 18218 7123 1 14 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.074 -0.033 18218 7124 1 14 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.569 -3.222 18218 7125 1 14 . 1 1 21 21 LEU CB C 21 38.418 38.418 40.974 -2.556 18218 7126 1 14 . 1 1 21 21 LEU H H 21 8.056 8.056 8.286 -0.230 18218 7127 1 14 . 1 1 22 22 LEU N N 22 120.384 120.384 121.284 -0.900 18218 7128 1 14 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.932 0.118 18218 7129 1 14 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.281 -3.934 18218 7130 1 14 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.202 -3.290 18218 7131 1 14 . 1 1 22 22 LEU H H 22 8.097 8.097 8.332 -0.235 18218 7132 1 14 . 1 1 23 23 ARG N N 23 119.486 119.486 117.294 2.192 18218 7133 1 14 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.019 -0.024 18218 7134 1 14 . 1 1 23 23 ARG C C 23 175.443 175.443 178.854 -3.411 18218 7135 1 14 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.549 -2.727 18218 7136 1 14 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.349 -4.017 18218 7137 1 14 . 1 1 23 23 ARG H H 23 8.032 8.032 8.142 -0.110 18218 7138 1 14 . 1 1 24 24 LYS N N 24 119.009 119.009 118.900 0.109 18218 7139 1 14 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.082 0.058 18218 7140 1 14 . 1 1 24 24 LYS C C 24 175.633 175.633 177.841 -2.208 18218 7141 1 14 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.765 -4.042 18218 7142 1 14 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.980 -4.370 18218 7143 1 14 . 1 1 24 24 LYS H H 24 7.860 7.860 7.922 -0.062 18218 7144 1 14 . 1 1 25 25 THR N N 25 112.776 112.776 114.220 -1.444 18218 7145 1 14 . 1 1 25 25 THR HA H 25 4.005 4.005 4.433 -0.428 18218 7146 1 14 . 1 1 25 25 THR C C 25 172.646 172.646 172.899 -0.253 18218 7147 1 14 . 1 1 25 25 THR CA C 25 61.810 61.810 62.538 -0.728 18218 7148 1 14 . 1 1 25 25 THR CB C 25 65.753 65.753 70.524 -4.771 18218 7149 1 14 . 1 1 25 25 THR H H 25 7.867 7.867 8.331 -0.464 18218 7150 1 14 . 1 1 26 26 ARG N N 26 119.996 119.996 122.758 -2.762 18218 7151 1 14 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.384 -0.237 18218 7152 1 14 . 1 1 26 26 ARG C C 26 174.278 174.278 174.844 -0.566 18218 7153 1 14 . 1 1 26 26 ARG CA C 26 54.347 54.347 55.843 -1.496 18218 7154 1 14 . 1 1 26 26 ARG CB C 26 27.028 27.028 31.655 -4.628 18218 7155 1 14 . 1 1 26 26 ARG H H 26 7.765 7.765 8.420 -0.655 18218 7156 1 14 . 1 1 27 27 GLU N N 27 118.067 118.067 120.737 -2.670 18218 7157 1 14 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.069 0.218 18218 7158 1 14 . 1 1 27 27 GLU C C 27 173.582 173.582 174.910 -1.328 18218 7159 1 14 . 1 1 27 27 GLU CA C 27 53.364 53.364 57.123 -3.759 18218 7160 1 14 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.739 -3.533 18218 7161 1 14 . 1 1 27 27 GLU H H 27 7.764 7.764 8.773 -1.009 18218 7162 1 14 . 1 1 28 28 SER N N 28 115.900 115.900 115.380 0.520 18218 7163 1 14 . 1 1 28 28 SER HA H 28 4.740 4.740 4.356 0.384 18218 7164 1 14 . 1 1 28 28 SER C C 28 170.481 170.481 172.056 -1.575 18218 7165 1 14 . 1 1 28 28 SER CA C 28 53.132 53.132 57.901 -4.769 18218 7166 1 14 . 1 1 28 28 SER CB C 28 60.624 60.624 63.414 -2.790 18218 7167 1 14 . 1 1 28 28 SER H H 28 7.630 7.630 8.365 -0.735 18218 7168 1 14 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.636 -0.100 18218 7169 1 14 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.648 -2.357 18218 7170 1 14 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.194 -2.747 18218 7171 1 14 . 1 1 30 30 LEU N N 30 120.365 120.365 123.003 -2.638 18218 7172 1 14 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.534 -0.325 18218 7173 1 14 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.118 -4.362 18218 7174 1 14 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.510 -2.586 18218 7175 1 14 . 1 1 30 30 LEU H H 30 8.034 8.034 8.103 -0.069 18218 7176 1 14 . 1 1 31 31 VAL N N 31 117.988 117.988 122.223 -4.235 18218 7177 1 14 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.898 0.335 18218 7178 1 14 . 1 1 31 31 VAL C C 31 171.899 171.899 175.938 -4.039 18218 7179 1 14 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.630 -10.043 18218 7180 1 14 . 1 1 31 31 VAL CB C 31 28.710 28.710 28.960 -0.250 18218 7181 1 14 . 1 1 31 31 VAL H H 31 7.499 7.499 8.464 -0.965 18218 7182 1 14 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.341 0.196 18218 7183 1 14 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.856 -5.760 18218 7184 1 14 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.319 -3.568 18218 7185 1 14 . 1 1 33 33 ILE N N 33 121.507 121.507 119.202 2.305 18218 7186 1 14 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.581 0.338 18218 7187 1 14 . 1 1 33 33 ILE C C 33 173.025 173.025 178.152 -5.127 18218 7188 1 14 . 1 1 33 33 ILE CA C 33 59.872 59.872 65.109 -5.237 18218 7189 1 14 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.622 -3.127 18218 7190 1 14 . 1 1 33 33 ILE H H 33 7.982 7.982 7.470 0.512 18218 7191 1 14 . 1 1 34 34 GLY N N 34 111.381 111.381 106.516 4.865 18218 7192 1 14 . 1 1 34 34 GLY C C 34 172.987 172.987 175.939 -2.952 18218 7193 1 14 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.858 -3.850 18218 7194 1 14 . 1 1 34 34 GLY H H 34 8.540 8.540 8.606 -0.066 18218 7195 1 14 . 1 1 35 35 LEU N N 35 122.626 122.626 123.317 -0.691 18218 7196 1 14 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.917 0.332 18218 7197 1 14 . 1 1 35 35 LEU C C 35 175.637 175.637 178.666 -3.029 18218 7198 1 14 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.709 -3.477 18218 7199 1 14 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.725 -3.117 18218 7200 1 14 . 1 1 35 35 LEU H H 35 7.964 7.964 7.757 0.207 18218 7201 1 14 . 1 1 36 36 GLY N N 36 106.708 106.708 106.397 0.311 18218 7202 1 14 . 1 1 36 36 GLY C C 36 172.647 172.647 175.969 -3.322 18218 7203 1 14 . 1 1 36 36 GLY CA C 36 44.426 44.426 46.892 -2.466 18218 7204 1 14 . 1 1 36 36 GLY H H 36 8.521 8.521 8.856 -0.335 18218 7205 1 14 . 1 1 37 37 GLY N N 37 108.586 108.586 109.591 -1.005 18218 7206 1 14 . 1 1 37 37 GLY C C 37 173.291 173.291 175.911 -2.620 18218 7207 1 14 . 1 1 37 37 GLY CA C 37 44.136 44.136 47.152 -3.016 18218 7208 1 14 . 1 1 37 37 GLY H H 37 8.270 8.270 8.807 -0.537 18218 7209 1 14 . 1 1 38 38 CYS N N 38 119.678 119.678 121.071 -1.393 18218 7210 1 14 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.346 -0.102 18218 7211 1 14 . 1 1 38 38 CYS C C 38 174.215 174.215 176.224 -2.009 18218 7212 1 14 . 1 1 38 38 CYS CA C 38 59.236 59.236 61.754 -2.518 18218 7213 1 14 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.747 -4.388 18218 7214 1 14 . 1 1 38 38 CYS H H 38 7.836 7.836 8.012 -0.176 18218 7215 1 14 . 1 1 39 39 LEU N N 39 120.798 120.798 122.226 -1.428 18218 7216 1 14 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.894 0.219 18218 7217 1 14 . 1 1 39 39 LEU C C 39 175.506 175.506 178.729 -3.223 18218 7218 1 14 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.536 -3.668 18218 7219 1 14 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.005 -4.156 18218 7220 1 14 . 1 1 39 39 LEU H H 39 7.999 7.999 8.035 -0.036 18218 7221 1 14 . 1 1 40 40 VAL N N 40 118.510 118.510 115.358 3.152 18218 7222 1 14 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.675 -0.079 18218 7223 1 14 . 1 1 40 40 VAL C C 40 174.544 174.544 177.673 -3.129 18218 7224 1 14 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.189 -2.470 18218 7225 1 14 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.271 -3.357 18218 7226 1 14 . 1 1 40 40 VAL H H 40 7.803 7.803 8.315 -0.512 18218 7227 1 14 . 1 1 41 41 VAL N N 41 119.131 119.131 121.860 -2.729 18218 7228 1 14 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.554 0.138 18218 7229 1 14 . 1 1 41 41 VAL C C 41 175.924 175.924 178.071 -2.147 18218 7230 1 14 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.552 -3.093 18218 7231 1 14 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.701 -2.660 18218 7232 1 14 . 1 1 41 41 VAL H H 41 7.624 7.624 7.845 -0.221 18218 7233 1 14 . 1 1 42 42 ALA N N 42 122.172 122.172 121.019 1.153 18218 7234 1 14 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.895 0.210 18218 7235 1 14 . 1 1 42 42 ALA C C 42 176.582 176.582 179.488 -2.906 18218 7236 1 14 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.394 -3.128 18218 7237 1 14 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.910 -3.030 18218 7238 1 14 . 1 1 42 42 ALA H H 42 8.008 8.008 8.381 -0.373 18218 7239 1 14 . 1 1 43 43 ALA N N 43 119.990 119.990 121.607 -1.617 18218 7240 1 14 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.016 -0.025 18218 7241 1 14 . 1 1 43 43 ALA C C 43 176.455 176.455 179.641 -3.186 18218 7242 1 14 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.991 -2.698 18218 7243 1 14 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.104 -3.224 18218 7244 1 14 . 1 1 43 43 ALA H H 43 8.400 8.400 7.977 0.423 18218 7245 1 14 . 1 1 44 44 TYR N N 44 118.221 118.221 119.503 -1.282 18218 7246 1 14 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.212 0.007 18218 7247 1 14 . 1 1 44 44 TYR C C 44 175.177 175.177 178.239 -3.062 18218 7248 1 14 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.239 -2.958 18218 7249 1 14 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.486 -3.864 18218 7250 1 14 . 1 1 44 44 TYR H H 44 8.345 8.345 8.478 -0.133 18218 7251 1 14 . 1 1 45 45 ARG N N 45 119.104 119.104 119.631 -0.527 18218 7252 1 14 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.991 -0.158 18218 7253 1 14 . 1 1 45 45 ARG C C 45 176.531 176.531 178.832 -2.301 18218 7254 1 14 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.764 -3.334 18218 7255 1 14 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.125 -3.919 18218 7256 1 14 . 1 1 45 45 ARG H H 45 8.275 8.275 8.208 0.067 18218 7257 1 14 . 1 1 46 46 ILE N N 46 119.719 119.719 119.965 -0.246 18218 7258 1 14 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.644 0.057 18218 7259 1 14 . 1 1 46 46 ILE C C 46 174.873 174.873 177.787 -2.914 18218 7260 1 14 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.799 -4.365 18218 7261 1 14 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.777 -3.915 18218 7262 1 14 . 1 1 46 46 ILE H H 46 8.119 8.119 8.501 -0.382 18218 7263 1 14 . 1 1 47 47 TYR N N 47 121.419 121.419 120.097 1.322 18218 7264 1 14 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.107 -0.125 18218 7265 1 14 . 1 1 47 47 TYR C C 47 175.544 175.544 177.613 -2.069 18218 7266 1 14 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.273 -2.674 18218 7267 1 14 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.355 -3.480 18218 7268 1 14 . 1 1 47 47 TYR H H 47 8.383 8.383 8.036 0.347 18218 7269 1 14 . 1 1 48 48 ARG N N 48 118.278 118.278 119.299 -1.021 18218 7270 1 14 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.123 -0.431 18218 7271 1 14 . 1 1 48 48 ARG C C 48 175.671 175.671 177.720 -2.049 18218 7272 1 14 . 1 1 48 48 ARG CA C 48 54.955 54.955 59.698 -4.743 18218 7273 1 14 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.721 -4.768 18218 7274 1 14 . 1 1 48 48 ARG H H 48 8.074 8.074 8.249 -0.175 18218 7275 1 14 . 1 1 49 49 LEU N N 49 120.350 120.350 118.651 1.699 18218 7276 1 14 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.176 -0.028 18218 7277 1 14 . 1 1 49 49 LEU C C 49 175.772 175.772 177.757 -1.985 18218 7278 1 14 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.435 -3.927 18218 7279 1 14 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.266 -3.785 18218 7280 1 14 . 1 1 49 49 LEU H H 49 7.744 7.744 7.992 -0.248 18218 7281 1 14 . 1 1 50 50 ARG N N 50 117.990 117.990 118.298 -0.308 18218 7282 1 14 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.112 0.042 18218 7283 1 14 . 1 1 50 50 ARG C C 50 174.139 174.139 175.031 -0.892 18218 7284 1 14 . 1 1 50 50 ARG CA C 50 54.058 54.058 56.897 -2.839 18218 7285 1 14 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.201 -3.995 18218 7286 1 14 . 1 1 50 50 ARG H H 50 7.686 7.686 8.239 -0.553 18218 7287 1 14 . 1 1 51 51 SER N N 51 115.124 115.124 112.025 3.099 18218 7288 1 14 . 1 1 51 51 SER HA H 51 4.274 4.274 4.124 0.150 18218 7289 1 14 . 1 1 51 51 SER C C 51 172.392 172.392 173.357 -0.965 18218 7290 1 14 . 1 1 51 51 SER CA C 51 56.112 56.112 59.149 -3.037 18218 7291 1 14 . 1 1 51 51 SER CB C 51 60.075 60.075 63.064 -2.989 18218 7292 1 14 . 1 1 51 51 SER H H 51 7.873 7.873 8.463 -0.590 18218 7293 1 14 . 1 1 52 52 ARG N N 52 122.132 122.132 124.160 -2.028 18218 7294 1 14 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.469 -0.193 18218 7295 1 14 . 1 1 52 52 ARG C C 52 174.316 174.316 175.824 -1.508 18218 7296 1 14 . 1 1 52 52 ARG CA C 52 53.422 53.422 55.976 -2.554 18218 7297 1 14 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.354 -4.022 18218 7298 1 14 . 1 1 52 52 ARG H H 52 7.923 7.923 8.488 -0.565 18218 7299 1 14 . 1 1 53 53 GLY N N 53 108.907 108.907 110.753 -1.846 18218 7300 1 14 . 1 1 53 53 GLY C C 53 171.405 171.405 173.654 -2.249 18218 7301 1 14 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.228 -2.769 18218 7302 1 14 . 1 1 53 53 GLY H H 53 8.142 8.142 8.271 -0.129 18218 7303 1 14 . 1 1 54 54 SER N N 54 115.609 115.609 115.867 -0.258 18218 7304 1 14 . 1 1 54 54 SER HA H 54 4.470 4.470 4.213 0.257 18218 7305 1 14 . 1 1 54 54 SER C C 54 172.367 172.367 173.667 -1.300 18218 7306 1 14 . 1 1 54 54 SER CA C 54 55.504 55.504 59.291 -3.787 18218 7307 1 14 . 1 1 54 54 SER CB C 54 60.537 60.537 63.418 -2.881 18218 7308 1 14 . 1 1 54 54 SER H H 54 8.042 8.042 8.424 -0.382 18218 7309 1 14 . 1 1 55 55 THR N N 55 117.148 117.148 116.146 1.002 18218 7310 1 14 . 1 1 55 55 THR HA H 55 4.244 4.244 4.403 -0.159 18218 7311 1 14 . 1 1 55 55 THR C C 55 171.785 171.785 173.744 -1.959 18218 7312 1 14 . 1 1 55 55 THR CA C 55 59.612 59.612 62.205 -2.593 18218 7313 1 14 . 1 1 55 55 THR CB C 55 66.322 66.322 68.917 -2.595 18218 7314 1 14 . 1 1 55 55 THR H H 55 8.123 8.123 8.099 0.024 18218 7315 1 14 . 1 1 56 56 LYS N N 56 123.462 123.462 120.101 3.361 18218 7316 1 14 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.178 0.066 18218 7317 1 14 . 1 1 56 56 LYS C C 56 173.848 173.848 175.022 -1.174 18218 7318 1 14 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.704 -4.138 18218 7319 1 14 . 1 1 56 56 LYS CB C 56 29.117 29.117 31.928 -2.811 18218 7320 1 14 . 1 1 56 56 LYS H H 56 8.184 8.184 8.411 -0.227 18218 7321 1 14 . 1 1 57 57 MET N N 57 121.145 121.145 119.615 1.530 18218 7322 1 14 . 1 1 57 57 MET HA H 57 4.425 4.425 4.672 -0.247 18218 7323 1 14 . 1 1 57 57 MET C C 57 172.835 172.835 174.675 -1.840 18218 7324 1 14 . 1 1 57 57 MET CA C 57 52.930 52.930 55.244 -2.314 18218 7325 1 14 . 1 1 57 57 MET CB C 57 29.876 29.876 33.466 -3.590 18218 7326 1 14 . 1 1 57 57 MET H H 57 8.153 8.153 7.856 0.297 18218 7327 1 14 . 1 1 58 58 SER N N 58 116.811 116.811 118.629 -1.818 18218 7328 1 14 . 1 1 58 58 SER HA H 58 4.470 4.470 4.452 0.018 18218 7329 1 14 . 1 1 58 58 SER C C 58 171.620 171.620 174.502 -2.882 18218 7330 1 14 . 1 1 58 58 SER CA C 58 55.041 55.041 59.599 -4.558 18218 7331 1 14 . 1 1 58 58 SER CB C 58 60.653 60.653 62.212 -1.559 18218 7332 1 14 . 1 1 58 58 SER H H 58 7.895 7.895 8.625 -0.730 18218 7333 1 14 . 1 1 59 59 ILE N N 59 122.346 122.346 127.205 -4.859 18218 7334 1 14 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.510 -0.520 18218 7335 1 14 . 1 1 59 59 ILE C C 59 173.127 173.127 175.354 -2.227 18218 7336 1 14 . 1 1 59 59 ILE CA C 59 58.542 58.542 58.474 0.068 18218 7337 1 14 . 1 1 59 59 ILE CB C 59 34.938 34.938 37.494 -2.556 18218 7338 1 14 . 1 1 59 59 ILE H H 59 8.110 8.110 8.746 -0.636 18218 7339 1 14 . 1 1 60 60 HIS N N 60 121.006 121.006 126.917 -5.911 18218 7340 1 14 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.268 -0.254 18218 7341 1 14 . 1 1 60 60 HIS C C 60 172.443 172.443 175.571 -3.128 18218 7342 1 14 . 1 1 60 60 HIS CA C 60 53.364 53.364 59.389 -6.026 18218 7343 1 14 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.335 -4.825 18218 7344 1 14 . 1 1 60 60 HIS H H 60 8.235 8.235 8.821 -0.586 18218 7345 1 14 . 1 1 61 61 LEU N N 61 120.472 120.472 112.542 7.930 18218 7346 1 14 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.321 -0.132 18218 7347 1 14 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.644 -2.454 18218 7348 1 14 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.511 -3.647 18218 7349 1 14 . 1 1 61 61 LEU H H 61 8.045 8.045 8.087 -0.042 18218 7350 1 14 . 1 1 62 62 ILE N N 62 117.281 117.281 118.715 -1.434 18218 7351 1 14 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.204 -0.307 18218 7352 1 14 . 1 1 62 62 ILE CA C 62 59.149 59.149 61.443 -2.294 18218 7353 1 14 . 1 1 62 62 ILE CB C 62 34.432 34.432 39.564 -5.132 18218 7354 1 14 . 1 1 62 62 ILE H H 62 7.555 7.555 8.117 -0.562 18218 7355 1 14 . 1 1 63 63 HIS N N 63 119.488 119.488 122.278 -2.790 18218 7356 1 14 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.473 0.164 18218 7357 1 14 . 1 1 63 63 HIS CA C 63 52.438 52.438 57.775 -5.337 18218 7358 1 14 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.705 -4.575 18218 7359 1 14 . 1 1 63 63 HIS H H 63 8.179 8.179 7.989 0.190 18218 7360 1 14 . 1 1 64 64 THR N N 64 112.132 112.132 116.156 -4.024 18218 7361 1 14 . 1 1 64 64 THR HA H 64 4.296 4.296 4.496 -0.200 18218 7362 1 14 . 1 1 64 64 THR C C 64 175.063 175.063 173.381 1.682 18218 7363 1 14 . 1 1 64 64 THR CA C 64 58.802 58.802 61.356 -2.554 18218 7364 1 14 . 1 1 64 64 THR CB C 64 67.588 67.588 69.988 -2.400 18218 7365 1 14 . 1 1 64 64 THR H H 64 7.576 7.576 8.067 -0.491 18218 7366 1 14 . 1 1 65 65 ARG N N 65 123.493 123.493 122.549 0.944 18218 7367 1 14 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.515 -0.219 18218 7368 1 14 . 1 1 65 65 ARG C C 65 175.633 175.633 177.395 -1.762 18218 7369 1 14 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.456 -1.125 18218 7370 1 14 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.841 -4.698 18218 7371 1 14 . 1 1 65 65 ARG H H 65 8.713 8.713 8.371 0.342 18218 7372 1 14 . 1 1 66 66 VAL N N 66 117.974 117.974 121.366 -3.392 18218 7373 1 14 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.789 0.208 18218 7374 1 14 . 1 1 66 66 VAL C C 66 174.215 174.215 177.541 -3.326 18218 7375 1 14 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.663 -3.969 18218 7376 1 14 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.856 -3.815 18218 7377 1 14 . 1 1 66 66 VAL H H 66 7.987 7.987 8.329 -0.342 18218 7378 1 14 . 1 1 67 67 ALA N N 67 123.016 123.016 120.597 2.419 18218 7379 1 14 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.902 0.098 18218 7380 1 14 . 1 1 67 67 ALA C C 67 175.367 175.367 178.788 -3.421 18218 7381 1 14 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.045 -2.925 18218 7382 1 14 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.910 -3.157 18218 7383 1 14 . 1 1 67 67 ALA H H 67 7.645 7.645 8.072 -0.427 18218 7384 1 14 . 1 1 68 68 ALA N N 68 120.682 120.682 121.236 -0.554 18218 7385 1 14 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.954 0.225 18218 7386 1 14 . 1 1 68 68 ALA C C 68 178.354 178.354 179.859 -1.505 18218 7387 1 14 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.831 -2.682 18218 7388 1 14 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.039 -3.286 18218 7389 1 14 . 1 1 68 68 ALA H H 68 7.931 7.931 7.991 -0.060 18218 7390 1 14 . 1 1 69 69 GLN N N 69 119.129 119.129 119.124 0.005 18218 7391 1 14 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.944 0.332 18218 7392 1 14 . 1 1 69 69 GLN C C 69 175.430 175.430 178.372 -2.942 18218 7393 1 14 . 1 1 69 69 GLN CA C 69 55.273 55.273 59.008 -3.735 18218 7394 1 14 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.695 -3.566 18218 7395 1 14 . 1 1 69 69 GLN H H 69 8.213 8.213 8.373 -0.160 18218 7396 1 14 . 1 1 70 70 ALA N N 70 122.065 122.065 121.396 0.669 18218 7397 1 14 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.937 0.063 18218 7398 1 14 . 1 1 70 70 ALA C C 70 176.734 176.734 179.207 -2.473 18218 7399 1 14 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.923 -2.774 18218 7400 1 14 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.873 -3.120 18218 7401 1 14 . 1 1 70 70 ALA H H 70 8.397 8.397 8.232 0.165 18218 7402 1 14 . 1 1 71 71 CYS N N 71 115.893 115.893 118.271 -2.378 18218 7403 1 14 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.998 0.055 18218 7404 1 14 . 1 1 71 71 CYS C C 71 173.696 173.696 176.839 -3.143 18218 7405 1 14 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.924 -3.473 18218 7406 1 14 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.604 -4.119 18218 7407 1 14 . 1 1 71 71 CYS H H 71 8.169 8.169 7.906 0.263 18218 7408 1 14 . 1 1 72 72 ALA N N 72 122.868 122.868 123.153 -0.285 18218 7409 1 14 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.963 0.297 18218 7410 1 14 . 1 1 72 72 ALA C C 72 177.886 177.886 179.370 -1.484 18218 7411 1 14 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.511 -3.478 18218 7412 1 14 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.087 -3.334 18218 7413 1 14 . 1 1 72 72 ALA H H 72 7.742 7.742 8.529 -0.787 18218 7414 1 14 . 1 1 73 73 VAL N N 73 118.066 118.066 117.584 0.482 18218 7415 1 14 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.535 0.241 18218 7416 1 14 . 1 1 73 73 VAL C C 73 175.696 175.696 178.159 -2.463 18218 7417 1 14 . 1 1 73 73 VAL CA C 73 62.649 62.649 67.261 -4.612 18218 7418 1 14 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.123 -3.019 18218 7419 1 14 . 1 1 73 73 VAL H H 73 8.050 8.050 8.511 -0.461 18218 7420 1 14 . 1 1 74 74 GLY N N 74 109.146 109.146 106.376 2.770 18218 7421 1 14 . 1 1 74 74 GLY C C 74 171.962 171.962 175.469 -3.507 18218 7422 1 14 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.005 -2.435 18218 7423 1 14 . 1 1 74 74 GLY H H 74 8.648 8.648 8.308 0.340 18218 7424 1 14 . 1 1 75 75 ALA N N 75 123.035 123.035 125.615 -2.580 18218 7425 1 14 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.087 0.002 18218 7426 1 14 . 1 1 75 75 ALA C C 75 178.253 178.253 179.283 -1.030 18218 7427 1 14 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.723 -2.285 18218 7428 1 14 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.372 -3.682 18218 7429 1 14 . 1 1 75 75 ALA H H 75 8.213 8.213 7.728 0.485 18218 7430 1 14 . 1 1 76 76 ILE N N 76 120.121 120.121 116.400 3.721 18218 7431 1 14 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.534 0.295 18218 7432 1 14 . 1 1 76 76 ILE C C 76 176.506 176.506 178.204 -1.698 18218 7433 1 14 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.998 -3.680 18218 7434 1 14 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.582 -3.214 18218 7435 1 14 . 1 1 76 76 ILE H H 76 7.523 7.523 8.120 -0.597 18218 7436 1 14 . 1 1 77 77 MET N N 77 120.468 120.468 118.950 1.518 18218 7437 1 14 . 1 1 77 77 MET HA H 77 4.116 4.116 4.141 -0.025 18218 7438 1 14 . 1 1 77 77 MET C C 77 175.038 175.038 178.536 -3.498 18218 7439 1 14 . 1 1 77 77 MET CA C 77 56.314 56.314 58.773 -2.459 18218 7440 1 14 . 1 1 77 77 MET CB C 77 34.242 34.242 32.551 1.691 18218 7441 1 14 . 1 1 77 77 MET H H 77 8.239 8.239 8.402 -0.163 18218 7442 1 14 . 1 1 78 78 LEU N N 78 119.389 119.389 121.145 -1.756 18218 7443 1 14 . 1 1 78 78 LEU HA H 78 3.964 3.964 4.077 -0.113 18218 7444 1 14 . 1 1 78 78 LEU C C 78 176.202 176.202 178.688 -2.486 18218 7445 1 14 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.556 -3.688 18218 7446 1 14 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.735 -3.950 18218 7447 1 14 . 1 1 78 78 LEU H H 78 8.571 8.571 7.916 0.655 18218 7448 1 14 . 1 1 79 79 GLY N N 79 105.857 105.857 106.178 -0.321 18218 7449 1 14 . 1 1 79 79 GLY C C 79 173.861 173.861 175.559 -1.698 18218 7450 1 14 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.397 -3.145 18218 7451 1 14 . 1 1 79 79 GLY H H 79 8.006 8.006 8.499 -0.493 18218 7452 1 14 . 1 1 80 80 ALA N N 80 125.631 125.631 125.869 -0.238 18218 7453 1 14 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.109 0.186 18218 7454 1 14 . 1 1 80 80 ALA C C 80 177.544 177.544 179.439 -1.895 18218 7455 1 14 . 1 1 80 80 ALA CA C 80 52.004 52.004 54.870 -2.866 18218 7456 1 14 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.405 -3.716 18218 7457 1 14 . 1 1 80 80 ALA H H 80 7.971 7.971 8.083 -0.112 18218 7458 1 14 . 1 1 81 81 VAL N N 81 118.858 118.858 118.581 0.277 18218 7459 1 14 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.759 -0.019 18218 7460 1 14 . 1 1 81 81 VAL C C 81 174.974 174.974 177.592 -2.618 18218 7461 1 14 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.128 -1.814 18218 7462 1 14 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.477 -3.689 18218 7463 1 14 . 1 1 81 81 VAL H H 81 8.206 8.206 7.908 0.298 18218 7464 1 14 . 1 1 82 82 TYR N N 82 121.151 121.151 121.188 -0.037 18218 7465 1 14 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.233 0.044 18218 7466 1 14 . 1 1 82 82 TYR C C 82 176.038 176.038 177.709 -1.671 18218 7467 1 14 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.706 -3.904 18218 7468 1 14 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.436 -4.004 18218 7469 1 14 . 1 1 82 82 TYR H H 82 8.614 8.614 8.516 0.098 18218 7470 1 14 . 1 1 83 83 THR N N 83 118.253 118.253 114.197 4.056 18218 7471 1 14 . 1 1 83 83 THR HA H 83 4.340 4.340 4.043 0.297 18218 7472 1 14 . 1 1 83 83 THR CA C 83 63.980 63.980 65.457 -1.477 18218 7473 1 14 . 1 1 83 83 THR CB C 83 65.437 65.437 68.438 -3.001 18218 7474 1 14 . 1 1 83 83 THR H H 83 8.361 8.361 8.703 -0.342 18218 7475 1 14 . 1 1 84 84 MET N N 84 121.616 121.616 122.658 -1.042 18218 7476 1 14 . 1 1 84 84 MET C C 84 175.949 175.949 177.826 -1.877 18218 7477 1 14 . 1 1 84 84 MET CA C 84 56.603 56.603 58.894 -2.291 18218 7478 1 14 . 1 1 84 84 MET CB C 84 29.180 29.180 31.894 -2.714 18218 7479 1 14 . 1 1 84 84 MET H H 84 8.053 8.053 8.497 -0.444 18218 7480 1 14 . 1 1 85 85 TYR N N 85 120.690 120.690 119.140 1.550 18218 7481 1 14 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.097 0.073 18218 7482 1 14 . 1 1 85 85 TYR C C 85 173.709 173.709 177.346 -3.637 18218 7483 1 14 . 1 1 85 85 TYR CA C 85 58.484 58.484 60.973 -2.489 18218 7484 1 14 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.404 -3.466 18218 7485 1 14 . 1 1 85 85 TYR H H 85 8.543 8.543 8.108 0.435 18218 7486 1 14 . 1 1 86 86 SER N N 86 115.536 115.536 114.437 1.099 18218 7487 1 14 . 1 1 86 86 SER HA H 86 3.802 3.802 4.233 -0.431 18218 7488 1 14 . 1 1 86 86 SER C C 86 174.709 174.709 177.023 -2.314 18218 7489 1 14 . 1 1 86 86 SER CA C 86 58.542 58.542 61.132 -2.590 18218 7490 1 14 . 1 1 86 86 SER CB C 86 59.243 59.243 63.479 -4.236 18218 7491 1 14 . 1 1 86 86 SER H H 86 8.422 8.422 8.151 0.271 18218 7492 1 14 . 1 1 87 87 ASP N N 87 121.132 121.132 122.669 -1.537 18218 7493 1 14 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.354 -0.005 18218 7494 1 14 . 1 1 87 87 ASP C C 87 175.177 175.177 177.713 -2.536 18218 7495 1 14 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.075 -3.306 18218 7496 1 14 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.517 -4.187 18218 7497 1 14 . 1 1 87 87 ASP H H 87 8.295 8.295 8.128 0.167 18218 7498 1 14 . 1 1 88 88 TYR N N 88 122.430 122.430 119.270 3.160 18218 7499 1 14 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.180 -0.064 18218 7500 1 14 . 1 1 88 88 TYR C C 88 174.772 174.772 176.177 -1.405 18218 7501 1 14 . 1 1 88 88 TYR CA C 88 58.542 58.542 59.399 -0.857 18218 7502 1 14 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.750 -3.622 18218 7503 1 14 . 1 1 88 88 TYR H H 88 7.919 7.919 7.827 0.092 18218 7504 1 14 . 1 1 89 89 VAL N N 89 118.321 118.321 115.935 2.386 18218 7505 1 14 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.690 -0.264 18218 7506 1 14 . 1 1 89 89 VAL C C 89 176.101 176.101 175.285 0.816 18218 7507 1 14 . 1 1 89 89 VAL CA C 89 62.794 62.794 62.796 -0.002 18218 7508 1 14 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.396 -4.545 18218 7509 1 14 . 1 1 89 89 VAL H H 89 8.121 8.121 7.748 0.373 18218 7510 1 14 . 1 1 90 90 LYS N N 90 120.272 120.272 123.624 -3.352 18218 7511 1 14 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.399 -0.390 18218 7512 1 14 . 1 1 90 90 LYS C C 90 176.126 176.126 175.291 0.835 18218 7513 1 14 . 1 1 90 90 LYS CA C 90 55.851 55.851 55.785 0.066 18218 7514 1 14 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.804 -3.194 18218 7515 1 14 . 1 1 90 90 LYS H H 90 7.708 7.708 8.317 -0.609 18218 7516 1 14 . 1 1 91 91 ARG N N 91 119.904 119.904 119.629 0.275 18218 7517 1 14 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.395 -0.367 18218 7518 1 14 . 1 1 91 91 ARG C C 91 175.544 175.544 174.630 0.914 18218 7519 1 14 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.951 -1.765 18218 7520 1 14 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.723 -5.454 18218 7521 1 14 . 1 1 91 91 ARG H H 91 7.685 7.685 7.616 0.069 18218 7522 1 14 . 1 1 92 92 MET N N 92 118.654 118.654 118.700 -0.046 18218 7523 1 14 . 1 1 92 92 MET HA H 92 4.248 4.248 4.532 -0.284 18218 7524 1 14 . 1 1 92 92 MET C C 92 174.810 174.810 174.867 -0.057 18218 7525 1 14 . 1 1 92 92 MET CA C 92 53.508 53.508 54.812 -1.304 18218 7526 1 14 . 1 1 92 92 MET CB C 92 26.016 26.016 33.611 -7.595 18218 7527 1 14 . 1 1 92 92 MET H H 92 7.790 7.790 7.996 -0.206 18218 7528 1 14 . 1 1 93 93 ALA N N 93 122.890 122.890 126.676 -3.786 18218 7529 1 14 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.475 -0.264 18218 7530 1 14 . 1 1 93 93 ALA C C 93 175.633 175.633 177.606 -1.973 18218 7531 1 14 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.899 -2.977 18218 7532 1 14 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.645 -4.386 18218 7533 1 14 . 1 1 93 93 ALA H H 93 7.648 7.648 8.471 -0.823 18218 7534 1 14 . 1 1 94 94 GLN N N 94 119.315 119.315 121.353 -2.038 18218 7535 1 14 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.325 -0.126 18218 7536 1 14 . 1 1 94 94 GLN C C 94 173.676 173.676 175.094 -1.418 18218 7537 1 14 . 1 1 94 94 GLN CA C 94 53.364 53.364 54.900 -1.536 18218 7538 1 14 . 1 1 94 94 GLN CB C 94 25.890 25.890 27.674 -1.784 18218 7539 1 14 . 1 1 94 94 GLN H H 94 7.887 7.887 8.391 -0.504 18218 7540 1 14 . 1 1 95 95 ASP N N 95 121.546 121.546 120.142 1.404 18218 7541 1 14 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.259 0.301 18218 7542 1 14 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.934 -3.450 18218 7543 1 14 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.153 -2.431 18218 7544 1 14 . 1 1 95 95 ASP H H 95 8.199 8.199 8.130 0.069 18218 7545 1 14 . 1 1 96 96 ALA N N 96 125.033 125.033 119.305 5.728 18218 7546 1 14 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.022 0.233 18218 7547 1 14 . 1 1 96 96 ALA C C 96 175.645 175.645 176.248 -0.603 18218 7548 1 14 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.761 -2.984 18218 7549 1 14 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.273 -3.697 18218 7550 1 14 . 1 1 96 96 ALA H H 96 8.062 8.062 8.206 -0.144 18218 7551 1 14 . 1 1 97 97 GLY N N 97 108.048 108.048 109.130 -1.082 18218 7552 1 14 . 1 1 97 97 GLY C C 97 171.418 171.418 173.917 -2.499 18218 7553 1 14 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.236 -3.096 18218 7554 1 14 . 1 1 97 97 GLY H H 97 8.196 8.196 8.510 -0.314 18218 7555 1 14 . 1 1 98 98 GLU N N 98 121.445 121.445 119.654 1.791 18218 7556 1 14 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.042 0.223 18218 7557 1 14 . 1 1 98 98 GLU C C 98 172.987 172.987 175.984 -2.997 18218 7558 1 14 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.735 -3.458 18218 7559 1 14 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.570 -3.174 18218 7560 1 14 . 1 1 98 98 GLU H H 98 8.086 8.086 8.240 -0.154 18218 7561 1 15 . 1 1 2 2 SER N N 2 116.234 116.234 121.275 -5.041 18218 7562 1 15 . 1 1 2 2 SER HA H 2 4.828 4.828 4.533 0.295 18218 7563 1 15 . 1 1 2 2 SER C C 2 171.696 171.696 173.398 -1.702 18218 7564 1 15 . 1 1 2 2 SER CA C 2 55.273 55.273 59.317 -4.044 18218 7565 1 15 . 1 1 2 2 SER CB C 2 60.624 60.624 63.637 -3.013 18218 7566 1 15 . 1 1 2 2 SER H H 2 7.958 7.958 8.857 -0.899 18218 7567 1 15 . 1 1 3 3 ALA N N 3 125.895 125.895 126.396 -0.501 18218 7568 1 15 . 1 1 3 3 ALA C C 3 174.633 174.633 175.549 -0.916 18218 7569 1 15 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.892 -3.173 18218 7570 1 15 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.476 -2.964 18218 7571 1 15 . 1 1 3 3 ALA H H 3 8.273 8.273 8.270 0.003 18218 7572 1 15 . 1 1 4 4 ASN N N 4 118.166 118.166 119.280 -1.114 18218 7573 1 15 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.803 -0.203 18218 7574 1 15 . 1 1 4 4 ASN C C 4 172.089 172.089 173.974 -1.885 18218 7575 1 15 . 1 1 4 4 ASN CA C 4 50.269 50.269 52.620 -2.351 18218 7576 1 15 . 1 1 4 4 ASN CB C 4 35.571 35.571 39.051 -3.480 18218 7577 1 15 . 1 1 4 4 ASN H H 4 8.307 8.307 8.350 -0.043 18218 7578 1 15 . 1 1 5 5 ARG N N 5 121.553 121.553 122.354 -0.801 18218 7579 1 15 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.469 -0.300 18218 7580 1 15 . 1 1 5 5 ARG C C 5 173.013 173.013 174.987 -1.974 18218 7581 1 15 . 1 1 5 5 ARG CA C 5 52.814 52.814 55.549 -2.735 18218 7582 1 15 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.985 -3.767 18218 7583 1 15 . 1 1 5 5 ARG H H 5 8.058 8.058 8.355 -0.297 18218 7584 1 15 . 1 1 6 6 ARG N N 6 122.689 122.689 121.349 1.340 18218 7585 1 15 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.623 -0.682 18218 7586 1 15 . 1 1 6 6 ARG C C 6 173.392 173.392 175.504 -2.112 18218 7587 1 15 . 1 1 6 6 ARG CA C 6 52.265 52.265 55.934 -3.669 18218 7588 1 15 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.614 -4.408 18218 7589 1 15 . 1 1 6 6 ARG H H 6 8.122 8.122 8.554 -0.432 18218 7590 1 15 . 1 1 7 7 TRP N N 7 120.901 120.901 125.124 -4.223 18218 7591 1 15 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.615 -0.197 18218 7592 1 15 . 1 1 7 7 TRP C C 7 172.557 172.557 175.653 -3.096 18218 7593 1 15 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.752 -2.231 18218 7594 1 15 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.868 -4.789 18218 7595 1 15 . 1 1 7 7 TRP H H 7 7.585 7.585 8.496 -0.911 18218 7596 1 15 . 1 1 8 8 TRP N N 8 118.192 118.192 125.004 -6.812 18218 7597 1 15 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.172 0.279 18218 7598 1 15 . 1 1 8 8 TRP C C 8 171.456 171.456 175.186 -3.730 18218 7599 1 15 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.975 -3.033 18218 7600 1 15 . 1 1 8 8 TRP CB C 8 25.510 25.510 28.764 -3.254 18218 7601 1 15 . 1 1 8 8 TRP H H 8 6.811 6.811 7.650 -0.839 18218 7602 1 15 . 1 1 9 9 VAL N N 9 122.005 122.005 120.051 1.954 18218 7603 1 15 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.624 -0.472 18218 7604 1 15 . 1 1 9 9 VAL C C 9 170.671 170.671 174.897 -4.226 18218 7605 1 15 . 1 1 9 9 VAL CA C 9 56.083 56.083 59.858 -3.775 18218 7606 1 15 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.837 -2.657 18218 7607 1 15 . 1 1 9 9 VAL H H 9 6.949 6.949 7.933 -0.984 18218 7608 1 15 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.329 -1.997 18218 7609 1 15 . 1 1 11 11 PRO CB C 11 29.383 29.383 30.870 -1.487 18218 7610 1 15 . 1 1 12 12 ASP N N 12 119.443 119.443 122.045 -2.602 18218 7611 1 15 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.286 0.238 18218 7612 1 15 . 1 1 12 12 ASP C C 12 174.215 174.215 175.774 -1.559 18218 7613 1 15 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.275 -3.849 18218 7614 1 15 . 1 1 12 12 ASP CB C 12 37.279 37.279 40.817 -3.538 18218 7615 1 15 . 1 1 12 12 ASP H H 12 8.241 8.241 8.309 -0.068 18218 7616 1 15 . 1 1 13 13 ASP N N 13 119.369 119.369 124.426 -5.057 18218 7617 1 15 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.528 0.052 18218 7618 1 15 . 1 1 13 13 ASP C C 13 175.379 175.379 177.365 -1.986 18218 7619 1 15 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.949 -4.842 18218 7620 1 15 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.381 -4.039 18218 7621 1 15 . 1 1 13 13 ASP H H 13 7.980 7.980 8.571 -0.591 18218 7622 1 15 . 1 1 14 14 GLU N N 14 121.036 121.036 118.537 2.499 18218 7623 1 15 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.319 -0.160 18218 7624 1 15 . 1 1 14 14 GLU C C 14 173.633 173.633 175.185 -1.552 18218 7625 1 15 . 1 1 14 14 GLU CA C 14 54.116 54.116 57.105 -2.989 18218 7626 1 15 . 1 1 14 14 GLU CB C 14 26.206 26.206 28.645 -2.439 18218 7627 1 15 . 1 1 14 14 GLU H H 14 8.197 8.197 8.391 -0.194 18218 7628 1 15 . 1 1 15 15 ASP N N 15 120.130 120.130 123.015 -2.885 18218 7629 1 15 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.674 -0.032 18218 7630 1 15 . 1 1 15 15 ASP C C 15 173.595 173.595 176.313 -2.718 18218 7631 1 15 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.477 -2.022 18218 7632 1 15 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.046 -4.577 18218 7633 1 15 . 1 1 15 15 ASP H H 15 8.308 8.308 7.948 0.360 18218 7634 1 15 . 1 1 16 16 CYS N N 16 118.700 118.700 123.558 -4.858 18218 7635 1 15 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.354 0.097 18218 7636 1 15 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.350 -4.614 18218 7637 1 15 . 1 1 16 16 CYS CB C 16 24.687 24.687 27.500 -2.813 18218 7638 1 15 . 1 1 16 16 CYS H H 16 7.968 7.968 8.486 -0.518 18218 7639 1 15 . 1 1 17 17 VAL N N 17 123.275 123.275 112.939 10.336 18218 7640 1 15 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.400 -0.672 18218 7641 1 15 . 1 1 17 17 VAL C C 17 174.430 174.430 176.064 -1.634 18218 7642 1 15 . 1 1 17 17 VAL CA C 17 62.504 62.504 63.363 -0.859 18218 7643 1 15 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.825 -4.594 18218 7644 1 15 . 1 1 17 17 VAL H H 17 8.550 8.550 7.940 0.610 18218 7645 1 15 . 1 1 18 18 SER N N 18 116.499 116.499 115.806 0.693 18218 7646 1 15 . 1 1 18 18 SER HA H 18 3.822 3.822 4.110 -0.288 18218 7647 1 15 . 1 1 18 18 SER CA C 18 58.484 58.484 59.701 -1.217 18218 7648 1 15 . 1 1 18 18 SER CB C 18 59.109 59.109 63.396 -4.287 18218 7649 1 15 . 1 1 18 18 SER H H 18 8.447 8.447 8.035 0.412 18218 7650 1 15 . 1 1 19 19 GLU N N 19 121.940 121.940 120.024 1.916 18218 7651 1 15 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.009 0.001 18218 7652 1 15 . 1 1 19 19 GLU C C 19 175.544 175.544 178.569 -3.025 18218 7653 1 15 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.400 -3.780 18218 7654 1 15 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.480 -4.033 18218 7655 1 15 . 1 1 19 19 GLU H H 19 7.686 7.686 8.833 -1.147 18218 7656 1 15 . 1 1 20 20 LYS N N 20 119.855 119.855 121.423 -1.568 18218 7657 1 15 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.068 -0.148 18218 7658 1 15 . 1 1 20 20 LYS C C 20 173.696 173.696 178.890 -5.194 18218 7659 1 15 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.070 -3.016 18218 7660 1 15 . 1 1 20 20 LYS CB C 20 28.927 28.927 31.946 -3.019 18218 7661 1 15 . 1 1 20 20 LYS H H 20 7.898 7.898 7.677 0.221 18218 7662 1 15 . 1 1 21 21 LEU N N 21 119.542 119.542 120.906 -1.364 18218 7663 1 15 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.083 -0.042 18218 7664 1 15 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.606 -3.259 18218 7665 1 15 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.186 -2.768 18218 7666 1 15 . 1 1 21 21 LEU H H 21 8.056 8.056 8.281 -0.225 18218 7667 1 15 . 1 1 22 22 LEU N N 22 120.384 120.384 119.606 0.778 18218 7668 1 15 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.806 0.244 18218 7669 1 15 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.364 -4.017 18218 7670 1 15 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.864 -3.952 18218 7671 1 15 . 1 1 22 22 LEU H H 22 8.097 8.097 8.309 -0.212 18218 7672 1 15 . 1 1 23 23 ARG N N 23 119.486 119.486 117.819 1.667 18218 7673 1 15 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.118 -0.123 18218 7674 1 15 . 1 1 23 23 ARG C C 23 175.443 175.443 177.951 -2.508 18218 7675 1 15 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.573 -2.751 18218 7676 1 15 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.199 -3.867 18218 7677 1 15 . 1 1 23 23 ARG H H 23 8.032 8.032 8.047 -0.015 18218 7678 1 15 . 1 1 24 24 LYS N N 24 119.009 119.009 119.087 -0.078 18218 7679 1 15 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.072 0.068 18218 7680 1 15 . 1 1 24 24 LYS C C 24 175.633 175.633 178.376 -2.743 18218 7681 1 15 . 1 1 24 24 LYS CA C 24 54.723 54.723 59.011 -4.288 18218 7682 1 15 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.569 -3.959 18218 7683 1 15 . 1 1 24 24 LYS H H 24 7.860 7.860 7.802 0.058 18218 7684 1 15 . 1 1 25 25 THR N N 25 112.776 112.776 114.617 -1.841 18218 7685 1 15 . 1 1 25 25 THR HA H 25 4.005 4.005 4.050 -0.045 18218 7686 1 15 . 1 1 25 25 THR C C 25 172.646 172.646 175.340 -2.694 18218 7687 1 15 . 1 1 25 25 THR CA C 25 61.810 61.810 64.821 -3.011 18218 7688 1 15 . 1 1 25 25 THR CB C 25 65.753 65.753 69.126 -3.373 18218 7689 1 15 . 1 1 25 25 THR H H 25 7.867 7.867 8.192 -0.325 18218 7690 1 15 . 1 1 26 26 ARG N N 26 119.996 119.996 122.190 -2.194 18218 7691 1 15 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.072 0.075 18218 7692 1 15 . 1 1 26 26 ARG C C 26 174.278 174.278 175.353 -1.075 18218 7693 1 15 . 1 1 26 26 ARG CA C 26 54.347 54.347 57.538 -3.191 18218 7694 1 15 . 1 1 26 26 ARG CB C 26 27.028 27.028 29.119 -2.091 18218 7695 1 15 . 1 1 26 26 ARG H H 26 7.765 7.765 8.339 -0.574 18218 7696 1 15 . 1 1 27 27 GLU N N 27 118.067 118.067 119.896 -1.829 18218 7697 1 15 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.412 -0.125 18218 7698 1 15 . 1 1 27 27 GLU C C 27 173.582 173.582 175.350 -1.768 18218 7699 1 15 . 1 1 27 27 GLU CA C 27 53.364 53.364 55.260 -1.896 18218 7700 1 15 . 1 1 27 27 GLU CB C 27 26.206 26.206 31.547 -5.341 18218 7701 1 15 . 1 1 27 27 GLU H H 27 7.764 7.764 8.544 -0.780 18218 7702 1 15 . 1 1 28 28 SER N N 28 115.900 115.900 118.155 -2.255 18218 7703 1 15 . 1 1 28 28 SER HA H 28 4.740 4.740 4.537 0.203 18218 7704 1 15 . 1 1 28 28 SER C C 28 170.481 170.481 173.429 -2.948 18218 7705 1 15 . 1 1 28 28 SER CA C 28 53.132 53.132 57.558 -4.426 18218 7706 1 15 . 1 1 28 28 SER CB C 28 60.624 60.624 63.572 -2.948 18218 7707 1 15 . 1 1 28 28 SER H H 28 7.630 7.630 8.494 -0.864 18218 7708 1 15 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.609 -0.073 18218 7709 1 15 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.751 -2.460 18218 7710 1 15 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.395 -2.948 18218 7711 1 15 . 1 1 30 30 LEU N N 30 120.365 120.365 115.809 4.556 18218 7712 1 15 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.436 -0.227 18218 7713 1 15 . 1 1 30 30 LEU CA C 30 52.756 52.756 57.161 -4.405 18218 7714 1 15 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.124 -3.200 18218 7715 1 15 . 1 1 30 30 LEU H H 30 8.034 8.034 8.210 -0.176 18218 7716 1 15 . 1 1 31 31 VAL N N 31 117.988 117.988 122.033 -4.045 18218 7717 1 15 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.769 0.464 18218 7718 1 15 . 1 1 31 31 VAL C C 31 171.899 171.899 175.805 -3.906 18218 7719 1 15 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.081 -10.494 18218 7720 1 15 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.674 -0.964 18218 7721 1 15 . 1 1 31 31 VAL H H 31 7.499 7.499 8.243 -0.744 18218 7722 1 15 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.343 0.194 18218 7723 1 15 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.800 -5.704 18218 7724 1 15 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.332 -3.582 18218 7725 1 15 . 1 1 33 33 ILE N N 33 121.507 121.507 119.325 2.182 18218 7726 1 15 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.545 0.374 18218 7727 1 15 . 1 1 33 33 ILE C C 33 173.025 173.025 178.260 -5.235 18218 7728 1 15 . 1 1 33 33 ILE CA C 33 59.872 59.872 65.088 -5.216 18218 7729 1 15 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.569 -3.075 18218 7730 1 15 . 1 1 33 33 ILE H H 33 7.982 7.982 7.566 0.416 18218 7731 1 15 . 1 1 34 34 GLY N N 34 111.381 111.381 106.724 4.657 18218 7732 1 15 . 1 1 34 34 GLY C C 34 172.987 172.987 175.752 -2.765 18218 7733 1 15 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.865 -3.857 18218 7734 1 15 . 1 1 34 34 GLY H H 34 8.540 8.540 8.675 -0.135 18218 7735 1 15 . 1 1 35 35 LEU N N 35 122.626 122.626 123.256 -0.630 18218 7736 1 15 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.872 0.377 18218 7737 1 15 . 1 1 35 35 LEU C C 35 175.637 175.637 178.792 -3.155 18218 7738 1 15 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.661 -3.429 18218 7739 1 15 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.473 -2.865 18218 7740 1 15 . 1 1 35 35 LEU H H 35 7.964 7.964 7.727 0.237 18218 7741 1 15 . 1 1 36 36 GLY N N 36 106.708 106.708 106.286 0.422 18218 7742 1 15 . 1 1 36 36 GLY C C 36 172.647 172.647 176.144 -3.497 18218 7743 1 15 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.449 -3.023 18218 7744 1 15 . 1 1 36 36 GLY H H 36 8.521 8.521 8.715 -0.194 18218 7745 1 15 . 1 1 37 37 GLY N N 37 108.586 108.586 107.944 0.642 18218 7746 1 15 . 1 1 37 37 GLY C C 37 173.291 173.291 175.691 -2.400 18218 7747 1 15 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.671 -2.535 18218 7748 1 15 . 1 1 37 37 GLY H H 37 8.270 8.270 8.399 -0.129 18218 7749 1 15 . 1 1 38 38 CYS N N 38 119.678 119.678 121.416 -1.738 18218 7750 1 15 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.225 0.019 18218 7751 1 15 . 1 1 38 38 CYS C C 38 174.215 174.215 176.084 -1.869 18218 7752 1 15 . 1 1 38 38 CYS CA C 38 59.236 59.236 63.635 -4.399 18218 7753 1 15 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.966 -4.607 18218 7754 1 15 . 1 1 38 38 CYS H H 38 7.836 7.836 7.712 0.124 18218 7755 1 15 . 1 1 39 39 LEU N N 39 120.798 120.798 121.180 -0.382 18218 7756 1 15 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.894 0.219 18218 7757 1 15 . 1 1 39 39 LEU C C 39 175.506 175.506 178.944 -3.438 18218 7758 1 15 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.310 -3.442 18218 7759 1 15 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.997 -4.148 18218 7760 1 15 . 1 1 39 39 LEU H H 39 7.999 7.999 8.093 -0.094 18218 7761 1 15 . 1 1 40 40 VAL N N 40 118.510 118.510 119.011 -0.501 18218 7762 1 15 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.687 -0.091 18218 7763 1 15 . 1 1 40 40 VAL C C 40 174.544 174.544 177.811 -3.267 18218 7764 1 15 . 1 1 40 40 VAL CA C 40 63.719 63.719 65.618 -1.899 18218 7765 1 15 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.754 -2.840 18218 7766 1 15 . 1 1 40 40 VAL H H 40 7.803 7.803 8.131 -0.328 18218 7767 1 15 . 1 1 41 41 VAL N N 41 119.131 119.131 120.497 -1.366 18218 7768 1 15 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.512 0.180 18218 7769 1 15 . 1 1 41 41 VAL C C 41 175.924 175.924 178.134 -2.210 18218 7770 1 15 . 1 1 41 41 VAL CA C 41 63.459 63.459 67.457 -3.998 18218 7771 1 15 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.486 -3.445 18218 7772 1 15 . 1 1 41 41 VAL H H 41 7.624 7.624 8.177 -0.553 18218 7773 1 15 . 1 1 42 42 ALA N N 42 122.172 122.172 120.540 1.632 18218 7774 1 15 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.839 0.266 18218 7775 1 15 . 1 1 42 42 ALA C C 42 176.582 176.582 179.215 -2.633 18218 7776 1 15 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.312 -3.047 18218 7777 1 15 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.816 -2.936 18218 7778 1 15 . 1 1 42 42 ALA H H 42 8.008 8.008 8.222 -0.214 18218 7779 1 15 . 1 1 43 43 ALA N N 43 119.990 119.990 122.041 -2.051 18218 7780 1 15 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.016 -0.025 18218 7781 1 15 . 1 1 43 43 ALA C C 43 176.455 176.455 179.264 -2.809 18218 7782 1 15 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.958 -2.665 18218 7783 1 15 . 1 1 43 43 ALA CB C 43 14.880 14.880 17.967 -3.087 18218 7784 1 15 . 1 1 43 43 ALA H H 43 8.400 8.400 7.700 0.700 18218 7785 1 15 . 1 1 44 44 TYR N N 44 118.221 118.221 120.413 -2.192 18218 7786 1 15 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.057 0.162 18218 7787 1 15 . 1 1 44 44 TYR C C 44 175.177 175.177 177.913 -2.736 18218 7788 1 15 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.054 -2.773 18218 7789 1 15 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.249 -3.627 18218 7790 1 15 . 1 1 44 44 TYR H H 44 8.345 8.345 8.729 -0.384 18218 7791 1 15 . 1 1 45 45 ARG N N 45 119.104 119.104 119.335 -0.231 18218 7792 1 15 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.643 0.190 18218 7793 1 15 . 1 1 45 45 ARG C C 45 176.531 176.531 178.394 -1.863 18218 7794 1 15 . 1 1 45 45 ARG CA C 45 56.430 56.430 58.675 -2.245 18218 7795 1 15 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.813 -3.607 18218 7796 1 15 . 1 1 45 45 ARG H H 45 8.275 8.275 7.746 0.529 18218 7797 1 15 . 1 1 46 46 ILE N N 46 119.719 119.719 120.031 -0.312 18218 7798 1 15 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.551 0.150 18218 7799 1 15 . 1 1 46 46 ILE C C 46 174.873 174.873 177.892 -3.019 18218 7800 1 15 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.639 -4.205 18218 7801 1 15 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.733 -3.871 18218 7802 1 15 . 1 1 46 46 ILE H H 46 8.119 8.119 8.026 0.093 18218 7803 1 15 . 1 1 47 47 TYR N N 47 121.419 121.419 119.497 1.922 18218 7804 1 15 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.938 0.044 18218 7805 1 15 . 1 1 47 47 TYR C C 47 175.544 175.544 177.054 -1.510 18218 7806 1 15 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.662 -3.063 18218 7807 1 15 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.297 -3.422 18218 7808 1 15 . 1 1 47 47 TYR H H 47 8.383 8.383 8.459 -0.076 18218 7809 1 15 . 1 1 48 48 ARG N N 48 118.278 118.278 118.354 -0.076 18218 7810 1 15 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.990 -0.298 18218 7811 1 15 . 1 1 48 48 ARG C C 48 175.671 175.671 178.540 -2.869 18218 7812 1 15 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.718 -3.763 18218 7813 1 15 . 1 1 48 48 ARG CB C 48 25.953 25.953 29.712 -3.759 18218 7814 1 15 . 1 1 48 48 ARG H H 48 8.074 8.074 7.901 0.173 18218 7815 1 15 . 1 1 49 49 LEU N N 49 120.350 120.350 118.568 1.782 18218 7816 1 15 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.949 0.199 18218 7817 1 15 . 1 1 49 49 LEU C C 49 175.772 175.772 178.010 -2.238 18218 7818 1 15 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.802 -4.294 18218 7819 1 15 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.177 -3.696 18218 7820 1 15 . 1 1 49 49 LEU H H 49 7.744 7.744 7.978 -0.234 18218 7821 1 15 . 1 1 50 50 ARG N N 50 117.990 117.990 117.560 0.430 18218 7822 1 15 . 1 1 50 50 ARG HA H 50 4.154 4.154 3.782 0.372 18218 7823 1 15 . 1 1 50 50 ARG C C 50 174.139 174.139 176.021 -1.882 18218 7824 1 15 . 1 1 50 50 ARG CA C 50 54.058 54.058 58.119 -4.061 18218 7825 1 15 . 1 1 50 50 ARG CB C 50 26.206 26.206 28.819 -2.613 18218 7826 1 15 . 1 1 50 50 ARG H H 50 7.686 7.686 8.322 -0.636 18218 7827 1 15 . 1 1 51 51 SER N N 51 115.124 115.124 116.948 -1.824 18218 7828 1 15 . 1 1 51 51 SER HA H 51 4.274 4.274 4.522 -0.248 18218 7829 1 15 . 1 1 51 51 SER C C 51 172.392 172.392 173.609 -1.217 18218 7830 1 15 . 1 1 51 51 SER CA C 51 56.112 56.112 57.440 -1.328 18218 7831 1 15 . 1 1 51 51 SER CB C 51 60.075 60.075 64.511 -4.436 18218 7832 1 15 . 1 1 51 51 SER H H 51 7.873 7.873 8.203 -0.330 18218 7833 1 15 . 1 1 52 52 ARG N N 52 122.132 122.132 124.850 -2.718 18218 7834 1 15 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.288 -0.012 18218 7835 1 15 . 1 1 52 52 ARG C C 52 174.316 174.316 176.379 -2.063 18218 7836 1 15 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.734 -3.312 18218 7837 1 15 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.283 -3.951 18218 7838 1 15 . 1 1 52 52 ARG H H 52 7.923 7.923 8.548 -0.625 18218 7839 1 15 . 1 1 53 53 GLY N N 53 108.907 108.907 110.887 -1.980 18218 7840 1 15 . 1 1 53 53 GLY C C 53 171.405 171.405 172.375 -0.970 18218 7841 1 15 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.028 -2.569 18218 7842 1 15 . 1 1 53 53 GLY H H 53 8.142 8.142 8.237 -0.095 18218 7843 1 15 . 1 1 54 54 SER N N 54 115.609 115.609 114.742 0.867 18218 7844 1 15 . 1 1 54 54 SER HA H 54 4.470 4.470 4.628 -0.158 18218 7845 1 15 . 1 1 54 54 SER C C 54 172.367 172.367 173.765 -1.398 18218 7846 1 15 . 1 1 54 54 SER CA C 54 55.504 55.504 58.064 -2.560 18218 7847 1 15 . 1 1 54 54 SER CB C 54 60.537 60.537 64.633 -4.096 18218 7848 1 15 . 1 1 54 54 SER H H 54 8.042 8.042 8.317 -0.275 18218 7849 1 15 . 1 1 55 55 THR N N 55 117.148 117.148 113.645 3.503 18218 7850 1 15 . 1 1 55 55 THR HA H 55 4.244 4.244 4.062 0.182 18218 7851 1 15 . 1 1 55 55 THR C C 55 171.785 171.785 173.316 -1.531 18218 7852 1 15 . 1 1 55 55 THR CA C 55 59.612 59.612 63.260 -3.648 18218 7853 1 15 . 1 1 55 55 THR CB C 55 66.322 66.322 68.436 -2.114 18218 7854 1 15 . 1 1 55 55 THR H H 55 8.123 8.123 8.618 -0.495 18218 7855 1 15 . 1 1 56 56 LYS N N 56 123.462 123.462 120.745 2.717 18218 7856 1 15 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.301 -0.057 18218 7857 1 15 . 1 1 56 56 LYS C C 56 173.848 173.848 175.562 -1.714 18218 7858 1 15 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.100 -3.534 18218 7859 1 15 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.050 -3.933 18218 7860 1 15 . 1 1 56 56 LYS H H 56 8.184 8.184 8.208 -0.024 18218 7861 1 15 . 1 1 57 57 MET N N 57 121.145 121.145 117.361 3.784 18218 7862 1 15 . 1 1 57 57 MET HA H 57 4.425 4.425 4.826 -0.401 18218 7863 1 15 . 1 1 57 57 MET C C 57 172.835 172.835 174.998 -2.163 18218 7864 1 15 . 1 1 57 57 MET CA C 57 52.930 52.930 55.194 -2.264 18218 7865 1 15 . 1 1 57 57 MET CB C 57 29.876 29.876 33.844 -3.968 18218 7866 1 15 . 1 1 57 57 MET H H 57 8.153 8.153 7.805 0.348 18218 7867 1 15 . 1 1 58 58 SER N N 58 116.811 116.811 116.961 -0.150 18218 7868 1 15 . 1 1 58 58 SER HA H 58 4.470 4.470 4.238 0.232 18218 7869 1 15 . 1 1 58 58 SER C C 58 171.620 171.620 173.816 -2.196 18218 7870 1 15 . 1 1 58 58 SER CA C 58 55.041 55.041 58.711 -3.670 18218 7871 1 15 . 1 1 58 58 SER CB C 58 60.653 60.653 61.834 -1.181 18218 7872 1 15 . 1 1 58 58 SER H H 58 7.895 7.895 8.791 -0.896 18218 7873 1 15 . 1 1 59 59 ILE N N 59 122.346 122.346 114.436 7.910 18218 7874 1 15 . 1 1 59 59 ILE HA H 59 3.990 3.990 3.756 0.234 18218 7875 1 15 . 1 1 59 59 ILE C C 59 173.127 173.127 174.638 -1.511 18218 7876 1 15 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.273 -2.732 18218 7877 1 15 . 1 1 59 59 ILE CB C 59 34.938 34.938 35.398 -0.460 18218 7878 1 15 . 1 1 59 59 ILE H H 59 8.110 8.110 8.027 0.083 18218 7879 1 15 . 1 1 60 60 HIS N N 60 121.006 121.006 120.211 0.795 18218 7880 1 15 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.277 -0.263 18218 7881 1 15 . 1 1 60 60 HIS C C 60 172.443 172.443 173.621 -1.178 18218 7882 1 15 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.942 -3.578 18218 7883 1 15 . 1 1 60 60 HIS CB C 60 25.510 25.510 29.416 -3.906 18218 7884 1 15 . 1 1 60 60 HIS H H 60 8.235 8.235 8.513 -0.278 18218 7885 1 15 . 1 1 61 61 LEU N N 61 120.472 120.472 127.852 -7.380 18218 7886 1 15 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.388 -0.199 18218 7887 1 15 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.373 -2.183 18218 7888 1 15 . 1 1 61 61 LEU CB C 61 38.864 38.864 43.165 -4.301 18218 7889 1 15 . 1 1 61 61 LEU H H 61 8.045 8.045 8.410 -0.365 18218 7890 1 15 . 1 1 62 62 ILE N N 62 117.281 117.281 116.301 0.980 18218 7891 1 15 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.718 0.179 18218 7892 1 15 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.615 -3.466 18218 7893 1 15 . 1 1 62 62 ILE CB C 62 34.432 34.432 37.364 -2.932 18218 7894 1 15 . 1 1 62 62 ILE H H 62 7.555 7.555 8.044 -0.489 18218 7895 1 15 . 1 1 63 63 HIS N N 63 119.488 119.488 119.383 0.105 18218 7896 1 15 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.228 0.409 18218 7897 1 15 . 1 1 63 63 HIS CA C 63 52.438 52.438 57.224 -4.786 18218 7898 1 15 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.338 -4.208 18218 7899 1 15 . 1 1 63 63 HIS H H 63 8.179 8.179 8.501 -0.322 18218 7900 1 15 . 1 1 64 64 THR N N 64 112.132 112.132 110.209 1.923 18218 7901 1 15 . 1 1 64 64 THR HA H 64 4.296 4.296 4.350 -0.054 18218 7902 1 15 . 1 1 64 64 THR C C 64 175.063 175.063 173.972 1.091 18218 7903 1 15 . 1 1 64 64 THR CA C 64 58.802 58.802 61.672 -2.870 18218 7904 1 15 . 1 1 64 64 THR CB C 64 67.588 67.588 69.845 -2.257 18218 7905 1 15 . 1 1 64 64 THR H H 64 7.576 7.576 7.795 -0.219 18218 7906 1 15 . 1 1 65 65 ARG N N 65 123.493 123.493 121.202 2.291 18218 7907 1 15 . 1 1 65 65 ARG HA H 65 4.296 4.296 3.962 0.334 18218 7908 1 15 . 1 1 65 65 ARG C C 65 175.633 175.633 176.804 -1.171 18218 7909 1 15 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.726 -2.395 18218 7910 1 15 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.554 -3.411 18218 7911 1 15 . 1 1 65 65 ARG H H 65 8.713 8.713 8.486 0.227 18218 7912 1 15 . 1 1 66 66 VAL N N 66 117.974 117.974 120.452 -2.478 18218 7913 1 15 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.537 0.460 18218 7914 1 15 . 1 1 66 66 VAL C C 66 174.215 174.215 177.217 -3.002 18218 7915 1 15 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.646 -4.952 18218 7916 1 15 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.484 -3.443 18218 7917 1 15 . 1 1 66 66 VAL H H 66 7.987 7.987 8.540 -0.553 18218 7918 1 15 . 1 1 67 67 ALA N N 67 123.016 123.016 120.607 2.409 18218 7919 1 15 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.908 0.092 18218 7920 1 15 . 1 1 67 67 ALA C C 67 175.367 175.367 179.257 -3.890 18218 7921 1 15 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.179 -3.059 18218 7922 1 15 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.812 -3.059 18218 7923 1 15 . 1 1 67 67 ALA H H 67 7.645 7.645 8.305 -0.660 18218 7924 1 15 . 1 1 68 68 ALA N N 68 120.682 120.682 120.638 0.044 18218 7925 1 15 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.704 0.475 18218 7926 1 15 . 1 1 68 68 ALA C C 68 178.354 178.354 179.342 -0.988 18218 7927 1 15 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.029 -2.880 18218 7928 1 15 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.008 -3.255 18218 7929 1 15 . 1 1 68 68 ALA H H 68 7.931 7.931 7.471 0.460 18218 7930 1 15 . 1 1 69 69 GLN N N 69 119.129 119.129 119.277 -0.148 18218 7931 1 15 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.802 0.474 18218 7932 1 15 . 1 1 69 69 GLN C C 69 175.430 175.430 178.035 -2.605 18218 7933 1 15 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.788 -3.515 18218 7934 1 15 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.554 -3.424 18218 7935 1 15 . 1 1 69 69 GLN H H 69 8.213 8.213 7.963 0.250 18218 7936 1 15 . 1 1 70 70 ALA N N 70 122.065 122.065 120.321 1.744 18218 7937 1 15 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.727 0.273 18218 7938 1 15 . 1 1 70 70 ALA C C 70 176.734 176.734 178.721 -1.987 18218 7939 1 15 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.406 -2.257 18218 7940 1 15 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.394 -2.641 18218 7941 1 15 . 1 1 70 70 ALA H H 70 8.397 8.397 8.384 0.013 18218 7942 1 15 . 1 1 71 71 CYS N N 71 115.893 115.893 117.037 -1.144 18218 7943 1 15 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.966 0.087 18218 7944 1 15 . 1 1 71 71 CYS C C 71 173.696 173.696 176.580 -2.884 18218 7945 1 15 . 1 1 71 71 CYS CA C 71 60.451 60.451 62.222 -1.771 18218 7946 1 15 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.462 -2.977 18218 7947 1 15 . 1 1 71 71 CYS H H 71 8.169 8.169 7.678 0.491 18218 7948 1 15 . 1 1 72 72 ALA N N 72 122.868 122.868 123.196 -0.328 18218 7949 1 15 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.000 0.260 18218 7950 1 15 . 1 1 72 72 ALA C C 72 177.886 177.886 179.210 -1.324 18218 7951 1 15 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.421 -3.388 18218 7952 1 15 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.045 -3.292 18218 7953 1 15 . 1 1 72 72 ALA H H 72 7.742 7.742 8.362 -0.620 18218 7954 1 15 . 1 1 73 73 VAL N N 73 118.066 118.066 115.249 2.817 18218 7955 1 15 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.583 0.193 18218 7956 1 15 . 1 1 73 73 VAL C C 73 175.696 175.696 177.584 -1.888 18218 7957 1 15 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.648 -2.999 18218 7958 1 15 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.884 -2.780 18218 7959 1 15 . 1 1 73 73 VAL H H 73 8.050 8.050 8.071 -0.021 18218 7960 1 15 . 1 1 74 74 GLY N N 74 109.146 109.146 108.442 0.704 18218 7961 1 15 . 1 1 74 74 GLY C C 74 171.962 171.962 175.457 -3.495 18218 7962 1 15 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.863 -2.293 18218 7963 1 15 . 1 1 74 74 GLY H H 74 8.648 8.648 7.704 0.944 18218 7964 1 15 . 1 1 75 75 ALA N N 75 123.035 123.035 124.886 -1.851 18218 7965 1 15 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.913 0.176 18218 7966 1 15 . 1 1 75 75 ALA C C 75 178.253 178.253 179.571 -1.318 18218 7967 1 15 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.867 -2.429 18218 7968 1 15 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.226 -3.536 18218 7969 1 15 . 1 1 75 75 ALA H H 75 8.213 8.213 8.016 0.197 18218 7970 1 15 . 1 1 76 76 ILE N N 76 120.121 120.121 119.161 0.960 18218 7971 1 15 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.455 0.374 18218 7972 1 15 . 1 1 76 76 ILE C C 76 176.506 176.506 178.197 -1.691 18218 7973 1 15 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.786 -4.468 18218 7974 1 15 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.702 -3.334 18218 7975 1 15 . 1 1 76 76 ILE H H 76 7.523 7.523 8.085 -0.562 18218 7976 1 15 . 1 1 77 77 MET N N 77 120.468 120.468 116.555 3.913 18218 7977 1 15 . 1 1 77 77 MET HA H 77 4.116 4.116 4.140 -0.024 18218 7978 1 15 . 1 1 77 77 MET C C 77 175.038 175.038 178.859 -3.821 18218 7979 1 15 . 1 1 77 77 MET CA C 77 56.314 56.314 58.153 -1.839 18218 7980 1 15 . 1 1 77 77 MET CB C 77 34.242 34.242 31.663 2.579 18218 7981 1 15 . 1 1 77 77 MET H H 77 8.239 8.239 8.098 0.141 18218 7982 1 15 . 1 1 78 78 LEU N N 78 119.389 119.389 120.917 -1.528 18218 7983 1 15 . 1 1 78 78 LEU HA H 78 3.964 3.964 4.038 -0.074 18218 7984 1 15 . 1 1 78 78 LEU C C 78 176.202 176.202 178.464 -2.262 18218 7985 1 15 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.200 -3.332 18218 7986 1 15 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.714 -3.929 18218 7987 1 15 . 1 1 78 78 LEU H H 78 8.571 8.571 8.265 0.306 18218 7988 1 15 . 1 1 79 79 GLY N N 79 105.857 105.857 106.053 -0.196 18218 7989 1 15 . 1 1 79 79 GLY C C 79 173.861 173.861 175.691 -1.830 18218 7990 1 15 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.271 -3.019 18218 7991 1 15 . 1 1 79 79 GLY H H 79 8.006 8.006 8.278 -0.272 18218 7992 1 15 . 1 1 80 80 ALA N N 80 125.631 125.631 125.835 -0.204 18218 7993 1 15 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.146 0.148 18218 7994 1 15 . 1 1 80 80 ALA C C 80 177.544 177.544 179.616 -2.072 18218 7995 1 15 . 1 1 80 80 ALA CA C 80 52.004 52.004 54.859 -2.856 18218 7996 1 15 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.411 -3.721 18218 7997 1 15 . 1 1 80 80 ALA H H 80 7.971 7.971 8.236 -0.265 18218 7998 1 15 . 1 1 81 81 VAL N N 81 118.858 118.858 119.710 -0.852 18218 7999 1 15 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.626 0.114 18218 8000 1 15 . 1 1 81 81 VAL C C 81 174.974 174.974 178.137 -3.163 18218 8001 1 15 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.992 -3.678 18218 8002 1 15 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.030 -3.242 18218 8003 1 15 . 1 1 81 81 VAL H H 81 8.206 8.206 7.943 0.263 18218 8004 1 15 . 1 1 82 82 TYR N N 82 121.151 121.151 119.816 1.335 18218 8005 1 15 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.046 0.231 18218 8006 1 15 . 1 1 82 82 TYR C C 82 176.038 176.038 177.859 -1.821 18218 8007 1 15 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.114 -3.312 18218 8008 1 15 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.142 -3.710 18218 8009 1 15 . 1 1 82 82 TYR H H 82 8.614 8.614 8.841 -0.227 18218 8010 1 15 . 1 1 83 83 THR N N 83 118.253 118.253 112.450 5.803 18218 8011 1 15 . 1 1 83 83 THR HA H 83 4.340 4.340 3.911 0.429 18218 8012 1 15 . 1 1 83 83 THR CA C 83 63.980 63.980 66.197 -2.217 18218 8013 1 15 . 1 1 83 83 THR CB C 83 65.437 65.437 68.854 -3.417 18218 8014 1 15 . 1 1 83 83 THR H H 83 8.361 8.361 8.390 -0.029 18218 8015 1 15 . 1 1 84 84 MET N N 84 121.616 121.616 123.038 -1.422 18218 8016 1 15 . 1 1 84 84 MET C C 84 175.949 175.949 178.272 -2.323 18218 8017 1 15 . 1 1 84 84 MET CA C 84 56.603 56.603 60.112 -3.509 18218 8018 1 15 . 1 1 84 84 MET CB C 84 29.180 29.180 32.371 -3.191 18218 8019 1 15 . 1 1 84 84 MET H H 84 8.053 8.053 8.472 -0.419 18218 8020 1 15 . 1 1 85 85 TYR N N 85 120.690 120.690 119.081 1.609 18218 8021 1 15 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.925 0.245 18218 8022 1 15 . 1 1 85 85 TYR C C 85 173.709 173.709 177.812 -4.103 18218 8023 1 15 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.945 -3.461 18218 8024 1 15 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.214 -3.276 18218 8025 1 15 . 1 1 85 85 TYR H H 85 8.543 8.543 8.570 -0.027 18218 8026 1 15 . 1 1 86 86 SER N N 86 115.536 115.536 114.653 0.883 18218 8027 1 15 . 1 1 86 86 SER HA H 86 3.802 3.802 3.828 -0.026 18218 8028 1 15 . 1 1 86 86 SER C C 86 174.709 174.709 176.955 -2.246 18218 8029 1 15 . 1 1 86 86 SER CA C 86 58.542 58.542 61.760 -3.218 18218 8030 1 15 . 1 1 86 86 SER CB C 86 59.243 59.243 62.815 -3.572 18218 8031 1 15 . 1 1 86 86 SER H H 86 8.422 8.422 8.429 -0.007 18218 8032 1 15 . 1 1 87 87 ASP N N 87 121.132 121.132 122.710 -1.578 18218 8033 1 15 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.326 0.023 18218 8034 1 15 . 1 1 87 87 ASP C C 87 175.177 175.177 177.845 -2.668 18218 8035 1 15 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.700 -2.931 18218 8036 1 15 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.549 -4.219 18218 8037 1 15 . 1 1 87 87 ASP H H 87 8.295 8.295 8.256 0.039 18218 8038 1 15 . 1 1 88 88 TYR N N 88 122.430 122.430 118.557 3.873 18218 8039 1 15 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.114 0.002 18218 8040 1 15 . 1 1 88 88 TYR C C 88 174.772 174.772 176.386 -1.614 18218 8041 1 15 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.567 -2.025 18218 8042 1 15 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.589 -3.461 18218 8043 1 15 . 1 1 88 88 TYR H H 88 7.919 7.919 8.018 -0.099 18218 8044 1 15 . 1 1 89 89 VAL N N 89 118.321 118.321 118.989 -0.668 18218 8045 1 15 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.847 -0.421 18218 8046 1 15 . 1 1 89 89 VAL C C 89 176.101 176.101 176.513 -0.412 18218 8047 1 15 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.941 -1.147 18218 8048 1 15 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.148 -4.296 18218 8049 1 15 . 1 1 89 89 VAL H H 89 8.121 8.121 7.630 0.491 18218 8050 1 15 . 1 1 90 90 LYS N N 90 120.272 120.272 127.440 -7.168 18218 8051 1 15 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.319 -0.310 18218 8052 1 15 . 1 1 90 90 LYS C C 90 176.126 176.126 175.616 0.510 18218 8053 1 15 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.121 -0.270 18218 8054 1 15 . 1 1 90 90 LYS CB C 90 28.610 28.610 30.768 -2.158 18218 8055 1 15 . 1 1 90 90 LYS H H 90 7.708 7.708 8.695 -0.987 18218 8056 1 15 . 1 1 91 91 ARG N N 91 119.904 119.904 121.321 -1.417 18218 8057 1 15 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.436 -0.408 18218 8058 1 15 . 1 1 91 91 ARG C C 91 175.544 175.544 174.252 1.292 18218 8059 1 15 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.438 -1.252 18218 8060 1 15 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.158 -4.889 18218 8061 1 15 . 1 1 91 91 ARG H H 91 7.685 7.685 7.904 -0.219 18218 8062 1 15 . 1 1 92 92 MET N N 92 118.654 118.654 121.351 -2.697 18218 8063 1 15 . 1 1 92 92 MET HA H 92 4.248 4.248 4.721 -0.473 18218 8064 1 15 . 1 1 92 92 MET C C 92 174.810 174.810 174.628 0.182 18218 8065 1 15 . 1 1 92 92 MET CA C 92 53.508 53.508 55.121 -1.613 18218 8066 1 15 . 1 1 92 92 MET CB C 92 26.016 26.016 34.903 -8.886 18218 8067 1 15 . 1 1 92 92 MET H H 92 7.790 7.790 7.899 -0.109 18218 8068 1 15 . 1 1 93 93 ALA N N 93 122.890 122.890 123.357 -0.467 18218 8069 1 15 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.766 -0.555 18218 8070 1 15 . 1 1 93 93 ALA C C 93 175.633 175.633 176.159 -0.526 18218 8071 1 15 . 1 1 93 93 ALA CA C 93 49.922 49.922 51.584 -1.662 18218 8072 1 15 . 1 1 93 93 ALA CB C 93 15.259 15.259 20.760 -5.501 18218 8073 1 15 . 1 1 93 93 ALA H H 93 7.648 7.648 8.720 -1.072 18218 8074 1 15 . 1 1 94 94 GLN N N 94 119.315 119.315 120.882 -1.567 18218 8075 1 15 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.286 -0.087 18218 8076 1 15 . 1 1 94 94 GLN C C 94 173.676 173.676 175.042 -1.366 18218 8077 1 15 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.915 -2.551 18218 8078 1 15 . 1 1 94 94 GLN CB C 94 25.890 25.890 27.879 -1.989 18218 8079 1 15 . 1 1 94 94 GLN H H 94 7.887 7.887 8.538 -0.651 18218 8080 1 15 . 1 1 95 95 ASP N N 95 121.546 121.546 122.384 -0.838 18218 8081 1 15 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.521 0.039 18218 8082 1 15 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.589 -3.105 18218 8083 1 15 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.214 -3.492 18218 8084 1 15 . 1 1 95 95 ASP H H 95 8.199 8.199 8.111 0.088 18218 8085 1 15 . 1 1 96 96 ALA N N 96 125.033 125.033 121.872 3.161 18218 8086 1 15 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.100 0.155 18218 8087 1 15 . 1 1 96 96 ALA C C 96 175.645 175.645 176.649 -1.004 18218 8088 1 15 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.701 -2.924 18218 8089 1 15 . 1 1 96 96 ALA CB C 96 15.576 15.576 17.618 -2.042 18218 8090 1 15 . 1 1 96 96 ALA H H 96 8.062 8.062 8.476 -0.414 18218 8091 1 15 . 1 1 97 97 GLY N N 97 108.048 108.048 109.867 -1.819 18218 8092 1 15 . 1 1 97 97 GLY C C 97 171.418 171.418 173.628 -2.210 18218 8093 1 15 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.171 -3.031 18218 8094 1 15 . 1 1 97 97 GLY H H 97 8.196 8.196 8.209 -0.013 18218 8095 1 15 . 1 1 98 98 GLU N N 98 121.445 121.445 120.118 1.327 18218 8096 1 15 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.157 0.108 18218 8097 1 15 . 1 1 98 98 GLU C C 98 172.987 172.987 176.365 -3.378 18218 8098 1 15 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.502 -3.225 18218 8099 1 15 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.977 -3.581 18218 8100 1 15 . 1 1 98 98 GLU H H 98 8.086 8.086 8.542 -0.456 18218 8101 1 16 . 1 1 2 2 SER N N 2 116.234 116.234 116.328 -0.094 18218 8102 1 16 . 1 1 2 2 SER HA H 2 4.828 4.828 4.571 0.257 18218 8103 1 16 . 1 1 2 2 SER C C 2 171.696 171.696 173.006 -1.310 18218 8104 1 16 . 1 1 2 2 SER CA C 2 55.273 55.273 58.743 -3.470 18218 8105 1 16 . 1 1 2 2 SER CB C 2 60.624 60.624 64.069 -3.445 18218 8106 1 16 . 1 1 2 2 SER H H 2 7.958 7.958 8.210 -0.252 18218 8107 1 16 . 1 1 3 3 ALA N N 3 125.895 125.895 127.264 -1.369 18218 8108 1 16 . 1 1 3 3 ALA C C 3 174.633 174.633 175.630 -0.997 18218 8109 1 16 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.420 -2.701 18218 8110 1 16 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.828 -4.316 18218 8111 1 16 . 1 1 3 3 ALA H H 3 8.273 8.273 8.327 -0.054 18218 8112 1 16 . 1 1 4 4 ASN N N 4 118.166 118.166 118.146 0.020 18218 8113 1 16 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.539 0.061 18218 8114 1 16 . 1 1 4 4 ASN C C 4 172.089 172.089 174.431 -2.342 18218 8115 1 16 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.033 -2.764 18218 8116 1 16 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.284 -2.713 18218 8117 1 16 . 1 1 4 4 ASN H H 4 8.307 8.307 8.547 -0.240 18218 8118 1 16 . 1 1 5 5 ARG N N 5 121.553 121.553 118.605 2.948 18218 8119 1 16 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.079 0.090 18218 8120 1 16 . 1 1 5 5 ARG C C 5 173.013 173.013 175.040 -2.027 18218 8121 1 16 . 1 1 5 5 ARG CA C 5 52.814 52.814 57.249 -4.435 18218 8122 1 16 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.319 -3.101 18218 8123 1 16 . 1 1 5 5 ARG H H 5 8.058 8.058 8.277 -0.219 18218 8124 1 16 . 1 1 6 6 ARG N N 6 122.689 122.689 119.569 3.120 18218 8125 1 16 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.466 -0.525 18218 8126 1 16 . 1 1 6 6 ARG C C 6 173.392 173.392 174.204 -0.812 18218 8127 1 16 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.043 -3.778 18218 8128 1 16 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.588 -5.382 18218 8129 1 16 . 1 1 6 6 ARG H H 6 8.122 8.122 8.630 -0.508 18218 8130 1 16 . 1 1 7 7 TRP N N 7 120.901 120.901 126.526 -5.625 18218 8131 1 16 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.930 -0.512 18218 8132 1 16 . 1 1 7 7 TRP C C 7 172.557 172.557 174.539 -1.982 18218 8133 1 16 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.203 -2.682 18218 8134 1 16 . 1 1 7 7 TRP CB C 7 26.079 26.079 31.407 -5.328 18218 8135 1 16 . 1 1 7 7 TRP H H 7 7.585 7.585 8.560 -0.975 18218 8136 1 16 . 1 1 8 8 TRP N N 8 118.192 118.192 128.808 -10.616 18218 8137 1 16 . 1 1 8 8 TRP HA H 8 4.451 4.451 5.114 -0.663 18218 8138 1 16 . 1 1 8 8 TRP C C 8 171.456 171.456 174.282 -2.826 18218 8139 1 16 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.688 -2.746 18218 8140 1 16 . 1 1 8 8 TRP CB C 8 25.510 25.510 31.798 -6.288 18218 8141 1 16 . 1 1 8 8 TRP H H 8 6.811 6.811 8.453 -1.642 18218 8142 1 16 . 1 1 9 9 VAL N N 9 122.005 122.005 125.720 -3.715 18218 8143 1 16 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.152 -0.000 18218 8144 1 16 . 1 1 9 9 VAL C C 9 170.671 170.671 173.846 -3.175 18218 8145 1 16 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.454 -4.371 18218 8146 1 16 . 1 1 9 9 VAL CB C 9 29.180 29.180 33.118 -3.938 18218 8147 1 16 . 1 1 9 9 VAL H H 9 6.949 6.949 7.516 -0.567 18218 8148 1 16 . 1 1 11 11 PRO CA C 11 60.332 60.332 63.022 -2.690 18218 8149 1 16 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.383 -3.000 18218 8150 1 16 . 1 1 12 12 ASP N N 12 119.443 119.443 118.288 1.155 18218 8151 1 16 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.749 -0.225 18218 8152 1 16 . 1 1 12 12 ASP C C 12 174.215 174.215 174.525 -0.310 18218 8153 1 16 . 1 1 12 12 ASP CA C 12 51.426 51.426 53.962 -2.536 18218 8154 1 16 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.450 -4.171 18218 8155 1 16 . 1 1 12 12 ASP H H 12 8.241 8.241 8.441 -0.200 18218 8156 1 16 . 1 1 13 13 ASP N N 13 119.369 119.369 121.472 -2.103 18218 8157 1 16 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.850 -0.270 18218 8158 1 16 . 1 1 13 13 ASP C C 13 175.379 175.379 175.910 -0.531 18218 8159 1 16 . 1 1 13 13 ASP CA C 13 51.107 51.107 53.334 -2.227 18218 8160 1 16 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.363 -5.021 18218 8161 1 16 . 1 1 13 13 ASP H H 13 7.980 7.980 8.169 -0.189 18218 8162 1 16 . 1 1 14 14 GLU N N 14 121.036 121.036 120.812 0.224 18218 8163 1 16 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.451 -0.291 18218 8164 1 16 . 1 1 14 14 GLU C C 14 173.633 173.633 175.770 -2.137 18218 8165 1 16 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.444 -2.328 18218 8166 1 16 . 1 1 14 14 GLU CB C 14 26.206 26.206 29.722 -3.516 18218 8167 1 16 . 1 1 14 14 GLU H H 14 8.197 8.197 8.508 -0.311 18218 8168 1 16 . 1 1 15 15 ASP N N 15 120.130 120.130 123.056 -2.926 18218 8169 1 16 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.864 -0.222 18218 8170 1 16 . 1 1 15 15 ASP C C 15 173.595 173.595 175.287 -1.692 18218 8171 1 16 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.017 -2.562 18218 8172 1 16 . 1 1 15 15 ASP CB C 15 37.469 37.469 43.306 -5.837 18218 8173 1 16 . 1 1 15 15 ASP H H 15 8.308 8.308 8.042 0.266 18218 8174 1 16 . 1 1 16 16 CYS N N 16 118.700 118.700 117.282 1.418 18218 8175 1 16 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.601 -0.150 18218 8176 1 16 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.168 -3.432 18218 8177 1 16 . 1 1 16 16 CYS CB C 16 24.687 24.687 30.160 -5.473 18218 8178 1 16 . 1 1 16 16 CYS H H 16 7.968 7.968 8.569 -0.601 18218 8179 1 16 . 1 1 17 17 VAL N N 17 123.275 123.275 116.608 6.667 18218 8180 1 16 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.350 -0.622 18218 8181 1 16 . 1 1 17 17 VAL C C 17 174.430 174.430 175.835 -1.405 18218 8182 1 16 . 1 1 17 17 VAL CA C 17 62.504 62.504 61.645 0.859 18218 8183 1 16 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.420 -5.189 18218 8184 1 16 . 1 1 17 17 VAL H H 17 8.550 8.550 7.751 0.799 18218 8185 1 16 . 1 1 18 18 SER N N 18 116.499 116.499 115.286 1.213 18218 8186 1 16 . 1 1 18 18 SER HA H 18 3.822 3.822 3.987 -0.165 18218 8187 1 16 . 1 1 18 18 SER CA C 18 58.484 58.484 59.032 -0.548 18218 8188 1 16 . 1 1 18 18 SER CB C 18 59.109 59.109 63.386 -4.277 18218 8189 1 16 . 1 1 18 18 SER H H 18 8.447 8.447 7.935 0.512 18218 8190 1 16 . 1 1 19 19 GLU N N 19 121.940 121.940 121.484 0.456 18218 8191 1 16 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.037 -0.027 18218 8192 1 16 . 1 1 19 19 GLU C C 19 175.544 175.544 178.377 -2.833 18218 8193 1 16 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.482 -3.862 18218 8194 1 16 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.779 -4.332 18218 8195 1 16 . 1 1 19 19 GLU H H 19 7.686 7.686 8.990 -1.304 18218 8196 1 16 . 1 1 20 20 LYS N N 20 119.855 119.855 120.493 -0.638 18218 8197 1 16 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.091 -0.171 18218 8198 1 16 . 1 1 20 20 LYS C C 20 173.696 173.696 178.691 -4.995 18218 8199 1 16 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.293 -3.239 18218 8200 1 16 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.072 -3.145 18218 8201 1 16 . 1 1 20 20 LYS H H 20 7.898 7.898 8.011 -0.113 18218 8202 1 16 . 1 1 21 21 LEU N N 21 119.542 119.542 120.705 -1.163 18218 8203 1 16 . 1 1 21 21 LEU HA H 21 4.041 4.041 3.998 0.043 18218 8204 1 16 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.989 -3.642 18218 8205 1 16 . 1 1 21 21 LEU CB C 21 38.418 38.418 42.034 -3.616 18218 8206 1 16 . 1 1 21 21 LEU H H 21 8.056 8.056 8.104 -0.048 18218 8207 1 16 . 1 1 22 22 LEU N N 22 120.384 120.384 119.970 0.414 18218 8208 1 16 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.896 0.154 18218 8209 1 16 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.638 -4.291 18218 8210 1 16 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.721 -3.809 18218 8211 1 16 . 1 1 22 22 LEU H H 22 8.097 8.097 8.187 -0.090 18218 8212 1 16 . 1 1 23 23 ARG N N 23 119.486 119.486 117.456 2.030 18218 8213 1 16 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.836 0.159 18218 8214 1 16 . 1 1 23 23 ARG C C 23 175.443 175.443 178.723 -3.280 18218 8215 1 16 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.946 -3.123 18218 8216 1 16 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.157 -3.825 18218 8217 1 16 . 1 1 23 23 ARG H H 23 8.032 8.032 8.112 -0.080 18218 8218 1 16 . 1 1 24 24 LYS N N 24 119.009 119.009 118.130 0.879 18218 8219 1 16 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.109 0.031 18218 8220 1 16 . 1 1 24 24 LYS C C 24 175.633 175.633 177.219 -1.586 18218 8221 1 16 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.760 -4.037 18218 8222 1 16 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.965 -4.355 18218 8223 1 16 . 1 1 24 24 LYS H H 24 7.860 7.860 7.897 -0.037 18218 8224 1 16 . 1 1 25 25 THR N N 25 112.776 112.776 112.360 0.416 18218 8225 1 16 . 1 1 25 25 THR HA H 25 4.005 4.005 4.527 -0.522 18218 8226 1 16 . 1 1 25 25 THR C C 25 172.646 172.646 172.668 -0.022 18218 8227 1 16 . 1 1 25 25 THR CA C 25 61.810 61.810 62.126 -0.316 18218 8228 1 16 . 1 1 25 25 THR CB C 25 65.753 65.753 70.341 -4.588 18218 8229 1 16 . 1 1 25 25 THR H H 25 7.867 7.867 8.287 -0.420 18218 8230 1 16 . 1 1 26 26 ARG N N 26 119.996 119.996 123.355 -3.359 18218 8231 1 16 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.426 -0.279 18218 8232 1 16 . 1 1 26 26 ARG C C 26 174.278 174.278 174.668 -0.390 18218 8233 1 16 . 1 1 26 26 ARG CA C 26 54.347 54.347 55.715 -1.368 18218 8234 1 16 . 1 1 26 26 ARG CB C 26 27.028 27.028 31.988 -4.960 18218 8235 1 16 . 1 1 26 26 ARG H H 26 7.765 7.765 8.447 -0.682 18218 8236 1 16 . 1 1 27 27 GLU N N 27 118.067 118.067 120.143 -2.076 18218 8237 1 16 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.051 0.236 18218 8238 1 16 . 1 1 27 27 GLU C C 27 173.582 173.582 174.520 -0.938 18218 8239 1 16 . 1 1 27 27 GLU CA C 27 53.364 53.364 57.018 -3.654 18218 8240 1 16 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.873 -3.667 18218 8241 1 16 . 1 1 27 27 GLU H H 27 7.764 7.764 8.771 -1.007 18218 8242 1 16 . 1 1 28 28 SER N N 28 115.900 115.900 115.183 0.717 18218 8243 1 16 . 1 1 28 28 SER HA H 28 4.740 4.740 4.381 0.359 18218 8244 1 16 . 1 1 28 28 SER C C 28 170.481 170.481 172.255 -1.774 18218 8245 1 16 . 1 1 28 28 SER CA C 28 53.132 53.132 58.358 -5.226 18218 8246 1 16 . 1 1 28 28 SER CB C 28 60.624 60.624 63.264 -2.640 18218 8247 1 16 . 1 1 28 28 SER H H 28 7.630 7.630 8.498 -0.868 18218 8248 1 16 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.704 -0.168 18218 8249 1 16 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.555 -2.264 18218 8250 1 16 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.474 -3.027 18218 8251 1 16 . 1 1 30 30 LEU N N 30 120.365 120.365 120.905 -0.540 18218 8252 1 16 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.433 -0.224 18218 8253 1 16 . 1 1 30 30 LEU CA C 30 52.756 52.756 55.908 -3.152 18218 8254 1 16 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.684 -3.760 18218 8255 1 16 . 1 1 30 30 LEU H H 30 8.034 8.034 8.283 -0.249 18218 8256 1 16 . 1 1 31 31 VAL N N 31 117.988 117.988 121.020 -3.032 18218 8257 1 16 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.860 0.373 18218 8258 1 16 . 1 1 31 31 VAL C C 31 171.899 171.899 175.717 -3.818 18218 8259 1 16 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.568 -9.981 18218 8260 1 16 . 1 1 31 31 VAL CB C 31 28.710 28.710 28.948 -0.239 18218 8261 1 16 . 1 1 31 31 VAL H H 31 7.499 7.499 8.387 -0.888 18218 8262 1 16 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.363 0.174 18218 8263 1 16 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.609 -5.513 18218 8264 1 16 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.098 -3.348 18218 8265 1 16 . 1 1 33 33 ILE N N 33 121.507 121.507 116.365 5.142 18218 8266 1 16 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.638 0.281 18218 8267 1 16 . 1 1 33 33 ILE C C 33 173.025 173.025 178.016 -4.991 18218 8268 1 16 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.767 -4.895 18218 8269 1 16 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.838 -2.343 18218 8270 1 16 . 1 1 33 33 ILE H H 33 7.982 7.982 8.045 -0.063 18218 8271 1 16 . 1 1 34 34 GLY N N 34 111.381 111.381 107.533 3.848 18218 8272 1 16 . 1 1 34 34 GLY C C 34 172.987 172.987 175.831 -2.844 18218 8273 1 16 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.947 -3.939 18218 8274 1 16 . 1 1 34 34 GLY H H 34 8.540 8.540 8.589 -0.049 18218 8275 1 16 . 1 1 35 35 LEU N N 35 122.626 122.626 123.379 -0.753 18218 8276 1 16 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.931 0.318 18218 8277 1 16 . 1 1 35 35 LEU C C 35 175.637 175.637 178.652 -3.015 18218 8278 1 16 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.636 -3.404 18218 8279 1 16 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.470 -2.862 18218 8280 1 16 . 1 1 35 35 LEU H H 35 7.964 7.964 7.653 0.311 18218 8281 1 16 . 1 1 36 36 GLY N N 36 106.708 106.708 106.459 0.249 18218 8282 1 16 . 1 1 36 36 GLY C C 36 172.647 172.647 176.055 -3.408 18218 8283 1 16 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.352 -2.926 18218 8284 1 16 . 1 1 36 36 GLY H H 36 8.521 8.521 8.466 0.055 18218 8285 1 16 . 1 1 37 37 GLY N N 37 108.586 108.586 108.800 -0.214 18218 8286 1 16 . 1 1 37 37 GLY C C 37 173.291 173.291 176.051 -2.760 18218 8287 1 16 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.880 -2.744 18218 8288 1 16 . 1 1 37 37 GLY H H 37 8.270 8.270 8.421 -0.151 18218 8289 1 16 . 1 1 38 38 CYS N N 38 119.678 119.678 120.590 -0.912 18218 8290 1 16 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.105 0.139 18218 8291 1 16 . 1 1 38 38 CYS C C 38 174.215 174.215 176.167 -1.952 18218 8292 1 16 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.292 -3.056 18218 8293 1 16 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.904 -4.545 18218 8294 1 16 . 1 1 38 38 CYS H H 38 7.836 7.836 8.126 -0.290 18218 8295 1 16 . 1 1 39 39 LEU N N 39 120.798 120.798 122.449 -1.651 18218 8296 1 16 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.912 0.201 18218 8297 1 16 . 1 1 39 39 LEU C C 39 175.506 175.506 179.216 -3.710 18218 8298 1 16 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.173 -3.305 18218 8299 1 16 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.093 -3.244 18218 8300 1 16 . 1 1 39 39 LEU H H 39 7.999 7.999 8.462 -0.463 18218 8301 1 16 . 1 1 40 40 VAL N N 40 118.510 118.510 118.026 0.484 18218 8302 1 16 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.626 -0.030 18218 8303 1 16 . 1 1 40 40 VAL C C 40 174.544 174.544 177.709 -3.165 18218 8304 1 16 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.314 -2.595 18218 8305 1 16 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.844 -3.930 18218 8306 1 16 . 1 1 40 40 VAL H H 40 7.803 7.803 8.019 -0.216 18218 8307 1 16 . 1 1 41 41 VAL N N 41 119.131 119.131 120.342 -1.211 18218 8308 1 16 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.601 0.091 18218 8309 1 16 . 1 1 41 41 VAL C C 41 175.924 175.924 178.019 -2.095 18218 8310 1 16 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.834 -3.375 18218 8311 1 16 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.971 -2.930 18218 8312 1 16 . 1 1 41 41 VAL H H 41 7.624 7.624 7.721 -0.097 18218 8313 1 16 . 1 1 42 42 ALA N N 42 122.172 122.172 121.125 1.047 18218 8314 1 16 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.855 0.250 18218 8315 1 16 . 1 1 42 42 ALA C C 42 176.582 176.582 179.229 -2.647 18218 8316 1 16 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.285 -3.020 18218 8317 1 16 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.985 -3.105 18218 8318 1 16 . 1 1 42 42 ALA H H 42 8.008 8.008 8.425 -0.417 18218 8319 1 16 . 1 1 43 43 ALA N N 43 119.990 119.990 122.231 -2.241 18218 8320 1 16 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.025 -0.034 18218 8321 1 16 . 1 1 43 43 ALA C C 43 176.455 176.455 179.130 -2.675 18218 8322 1 16 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.112 -2.820 18218 8323 1 16 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.013 -3.133 18218 8324 1 16 . 1 1 43 43 ALA H H 43 8.400 8.400 7.902 0.498 18218 8325 1 16 . 1 1 44 44 TYR N N 44 118.221 118.221 120.273 -2.052 18218 8326 1 16 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.146 0.073 18218 8327 1 16 . 1 1 44 44 TYR C C 44 175.177 175.177 177.926 -2.749 18218 8328 1 16 . 1 1 44 44 TYR CA C 44 58.281 58.281 60.482 -2.201 18218 8329 1 16 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.147 -3.525 18218 8330 1 16 . 1 1 44 44 TYR H H 44 8.345 8.345 8.275 0.070 18218 8331 1 16 . 1 1 45 45 ARG N N 45 119.104 119.104 119.268 -0.164 18218 8332 1 16 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.409 0.424 18218 8333 1 16 . 1 1 45 45 ARG C C 45 176.531 176.531 178.429 -1.898 18218 8334 1 16 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.939 -3.509 18218 8335 1 16 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.959 -3.753 18218 8336 1 16 . 1 1 45 45 ARG H H 45 8.275 8.275 7.955 0.320 18218 8337 1 16 . 1 1 46 46 ILE N N 46 119.719 119.719 120.013 -0.294 18218 8338 1 16 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.464 0.237 18218 8339 1 16 . 1 1 46 46 ILE C C 46 174.873 174.873 177.881 -3.008 18218 8340 1 16 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.656 -4.222 18218 8341 1 16 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.562 -3.700 18218 8342 1 16 . 1 1 46 46 ILE H H 46 8.119 8.119 8.391 -0.272 18218 8343 1 16 . 1 1 47 47 TYR N N 47 121.419 121.419 118.693 2.726 18218 8344 1 16 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.959 0.023 18218 8345 1 16 . 1 1 47 47 TYR C C 47 175.544 175.544 177.265 -1.721 18218 8346 1 16 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.444 -2.845 18218 8347 1 16 . 1 1 47 47 TYR CB C 47 34.875 34.875 37.999 -3.124 18218 8348 1 16 . 1 1 47 47 TYR H H 47 8.383 8.383 8.035 0.348 18218 8349 1 16 . 1 1 48 48 ARG N N 48 118.278 118.278 117.495 0.783 18218 8350 1 16 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.023 -0.331 18218 8351 1 16 . 1 1 48 48 ARG C C 48 175.671 175.671 178.100 -2.429 18218 8352 1 16 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.395 -3.440 18218 8353 1 16 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.069 -4.116 18218 8354 1 16 . 1 1 48 48 ARG H H 48 8.074 8.074 8.121 -0.047 18218 8355 1 16 . 1 1 49 49 LEU N N 49 120.350 120.350 119.086 1.264 18218 8356 1 16 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.051 0.097 18218 8357 1 16 . 1 1 49 49 LEU C C 49 175.772 175.772 177.679 -1.907 18218 8358 1 16 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.407 -3.899 18218 8359 1 16 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.263 -3.782 18218 8360 1 16 . 1 1 49 49 LEU H H 49 7.744 7.744 8.136 -0.392 18218 8361 1 16 . 1 1 50 50 ARG N N 50 117.990 117.990 118.713 -0.723 18218 8362 1 16 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.258 -0.104 18218 8363 1 16 . 1 1 50 50 ARG C C 50 174.139 174.139 174.564 -0.425 18218 8364 1 16 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.234 -3.176 18218 8365 1 16 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.977 -4.771 18218 8366 1 16 . 1 1 50 50 ARG H H 50 7.686 7.686 8.127 -0.441 18218 8367 1 16 . 1 1 51 51 SER N N 51 115.124 115.124 114.341 0.783 18218 8368 1 16 . 1 1 51 51 SER HA H 51 4.274 4.274 4.615 -0.341 18218 8369 1 16 . 1 1 51 51 SER C C 51 172.392 172.392 173.924 -1.532 18218 8370 1 16 . 1 1 51 51 SER CA C 51 56.112 56.112 57.944 -1.832 18218 8371 1 16 . 1 1 51 51 SER CB C 51 60.075 60.075 63.379 -3.304 18218 8372 1 16 . 1 1 51 51 SER H H 51 7.873 7.873 8.234 -0.361 18218 8373 1 16 . 1 1 52 52 ARG N N 52 122.132 122.132 123.432 -1.300 18218 8374 1 16 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.325 -0.049 18218 8375 1 16 . 1 1 52 52 ARG C C 52 174.316 174.316 177.300 -2.984 18218 8376 1 16 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.307 -2.885 18218 8377 1 16 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.622 -4.290 18218 8378 1 16 . 1 1 52 52 ARG H H 52 7.923 7.923 8.630 -0.707 18218 8379 1 16 . 1 1 53 53 GLY N N 53 108.907 108.907 111.597 -2.690 18218 8380 1 16 . 1 1 53 53 GLY C C 53 171.405 171.405 174.384 -2.979 18218 8381 1 16 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.166 -2.707 18218 8382 1 16 . 1 1 53 53 GLY H H 53 8.142 8.142 8.650 -0.508 18218 8383 1 16 . 1 1 54 54 SER N N 54 115.609 115.609 115.046 0.563 18218 8384 1 16 . 1 1 54 54 SER HA H 54 4.470 4.470 4.260 0.210 18218 8385 1 16 . 1 1 54 54 SER C C 54 172.367 172.367 174.082 -1.715 18218 8386 1 16 . 1 1 54 54 SER CA C 54 55.504 55.504 59.378 -3.874 18218 8387 1 16 . 1 1 54 54 SER CB C 54 60.537 60.537 63.256 -2.719 18218 8388 1 16 . 1 1 54 54 SER H H 54 8.042 8.042 8.329 -0.287 18218 8389 1 16 . 1 1 55 55 THR N N 55 117.148 117.148 119.203 -2.055 18218 8390 1 16 . 1 1 55 55 THR HA H 55 4.244 4.244 4.466 -0.222 18218 8391 1 16 . 1 1 55 55 THR C C 55 171.785 171.785 174.788 -3.003 18218 8392 1 16 . 1 1 55 55 THR CA C 55 59.612 59.612 63.785 -4.173 18218 8393 1 16 . 1 1 55 55 THR CB C 55 66.322 66.322 69.370 -3.048 18218 8394 1 16 . 1 1 55 55 THR H H 55 8.123 8.123 8.409 -0.286 18218 8395 1 16 . 1 1 56 56 LYS N N 56 123.462 123.462 119.690 3.772 18218 8396 1 16 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.557 -0.313 18218 8397 1 16 . 1 1 56 56 LYS C C 56 173.848 173.848 177.207 -3.359 18218 8398 1 16 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.895 -3.329 18218 8399 1 16 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.555 -4.438 18218 8400 1 16 . 1 1 56 56 LYS H H 56 8.184 8.184 8.127 0.057 18218 8401 1 16 . 1 1 57 57 MET N N 57 121.145 121.145 118.188 2.957 18218 8402 1 16 . 1 1 57 57 MET HA H 57 4.425 4.425 4.694 -0.269 18218 8403 1 16 . 1 1 57 57 MET C C 57 172.835 172.835 175.287 -2.452 18218 8404 1 16 . 1 1 57 57 MET CA C 57 52.930 52.930 56.226 -3.296 18218 8405 1 16 . 1 1 57 57 MET CB C 57 29.876 29.876 34.724 -4.848 18218 8406 1 16 . 1 1 57 57 MET H H 57 8.153 8.153 8.010 0.143 18218 8407 1 16 . 1 1 58 58 SER N N 58 116.811 116.811 113.555 3.256 18218 8408 1 16 . 1 1 58 58 SER HA H 58 4.470 4.470 4.777 -0.307 18218 8409 1 16 . 1 1 58 58 SER C C 58 171.620 171.620 173.481 -1.861 18218 8410 1 16 . 1 1 58 58 SER CA C 58 55.041 55.041 57.302 -2.261 18218 8411 1 16 . 1 1 58 58 SER CB C 58 60.653 60.653 65.259 -4.606 18218 8412 1 16 . 1 1 58 58 SER H H 58 7.895 7.895 7.475 0.420 18218 8413 1 16 . 1 1 59 59 ILE N N 59 122.346 122.346 121.185 1.161 18218 8414 1 16 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.219 -0.229 18218 8415 1 16 . 1 1 59 59 ILE C C 59 173.127 173.127 176.310 -3.183 18218 8416 1 16 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.502 -3.961 18218 8417 1 16 . 1 1 59 59 ILE CB C 59 34.938 34.938 39.576 -4.638 18218 8418 1 16 . 1 1 59 59 ILE H H 59 8.110 8.110 8.875 -0.765 18218 8419 1 16 . 1 1 60 60 HIS N N 60 121.006 121.006 119.719 1.287 18218 8420 1 16 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.371 -0.357 18218 8421 1 16 . 1 1 60 60 HIS C C 60 172.443 172.443 175.091 -2.648 18218 8422 1 16 . 1 1 60 60 HIS CA C 60 53.364 53.364 58.126 -4.762 18218 8423 1 16 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.146 -4.636 18218 8424 1 16 . 1 1 60 60 HIS H H 60 8.235 8.235 8.384 -0.149 18218 8425 1 16 . 1 1 61 61 LEU N N 61 120.472 120.472 120.106 0.366 18218 8426 1 16 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.383 -0.194 18218 8427 1 16 . 1 1 61 61 LEU CA C 61 53.190 53.190 54.871 -1.681 18218 8428 1 16 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.480 -3.616 18218 8429 1 16 . 1 1 61 61 LEU H H 61 8.045 8.045 7.992 0.053 18218 8430 1 16 . 1 1 62 62 ILE N N 62 117.281 117.281 122.676 -5.395 18218 8431 1 16 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.339 -0.442 18218 8432 1 16 . 1 1 62 62 ILE CA C 62 59.149 59.149 59.905 -0.756 18218 8433 1 16 . 1 1 62 62 ILE CB C 62 34.432 34.432 37.389 -2.957 18218 8434 1 16 . 1 1 62 62 ILE H H 62 7.555 7.555 8.334 -0.779 18218 8435 1 16 . 1 1 63 63 HIS N N 63 119.488 119.488 122.869 -3.381 18218 8436 1 16 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.194 0.443 18218 8437 1 16 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.785 -4.347 18218 8438 1 16 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.133 -4.003 18218 8439 1 16 . 1 1 63 63 HIS H H 63 8.179 8.179 8.694 -0.515 18218 8440 1 16 . 1 1 64 64 THR N N 64 112.132 112.132 112.546 -0.414 18218 8441 1 16 . 1 1 64 64 THR HA H 64 4.296 4.296 4.450 -0.154 18218 8442 1 16 . 1 1 64 64 THR C C 64 175.063 175.063 175.665 -0.602 18218 8443 1 16 . 1 1 64 64 THR CA C 64 58.802 58.802 61.741 -2.939 18218 8444 1 16 . 1 1 64 64 THR CB C 64 67.588 67.588 69.727 -2.139 18218 8445 1 16 . 1 1 64 64 THR H H 64 7.576 7.576 7.951 -0.375 18218 8446 1 16 . 1 1 65 65 ARG N N 65 123.493 123.493 127.029 -3.536 18218 8447 1 16 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.286 0.010 18218 8448 1 16 . 1 1 65 65 ARG C C 65 175.633 175.633 177.428 -1.795 18218 8449 1 16 . 1 1 65 65 ARG CA C 65 55.331 55.331 58.315 -2.984 18218 8450 1 16 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.538 -3.395 18218 8451 1 16 . 1 1 65 65 ARG H H 65 8.713 8.713 8.693 0.020 18218 8452 1 16 . 1 1 66 66 VAL N N 66 117.974 117.974 120.852 -2.878 18218 8453 1 16 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.704 0.293 18218 8454 1 16 . 1 1 66 66 VAL C C 66 174.215 174.215 176.875 -2.660 18218 8455 1 16 . 1 1 66 66 VAL CA C 66 61.694 61.694 64.243 -2.549 18218 8456 1 16 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.078 -3.037 18218 8457 1 16 . 1 1 66 66 VAL H H 66 7.987 7.987 8.084 -0.097 18218 8458 1 16 . 1 1 67 67 ALA N N 67 123.016 123.016 122.340 0.676 18218 8459 1 16 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.919 0.081 18218 8460 1 16 . 1 1 67 67 ALA C C 67 175.367 175.367 178.807 -3.440 18218 8461 1 16 . 1 1 67 67 ALA CA C 67 52.120 52.120 54.967 -2.847 18218 8462 1 16 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.063 -3.310 18218 8463 1 16 . 1 1 67 67 ALA H H 67 7.645 7.645 7.625 0.020 18218 8464 1 16 . 1 1 68 68 ALA N N 68 120.682 120.682 120.926 -0.244 18218 8465 1 16 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.804 0.375 18218 8466 1 16 . 1 1 68 68 ALA C C 68 178.354 178.354 179.478 -1.124 18218 8467 1 16 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.938 -2.789 18218 8468 1 16 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.029 -3.276 18218 8469 1 16 . 1 1 68 68 ALA H H 68 7.931 7.931 8.120 -0.189 18218 8470 1 16 . 1 1 69 69 GLN N N 69 119.129 119.129 118.953 0.176 18218 8471 1 16 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.954 0.322 18218 8472 1 16 . 1 1 69 69 GLN C C 69 175.430 175.430 178.024 -2.594 18218 8473 1 16 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.705 -3.432 18218 8474 1 16 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.344 -3.214 18218 8475 1 16 . 1 1 69 69 GLN H H 69 8.213 8.213 8.510 -0.297 18218 8476 1 16 . 1 1 70 70 ALA N N 70 122.065 122.065 121.577 0.488 18218 8477 1 16 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.834 0.166 18218 8478 1 16 . 1 1 70 70 ALA C C 70 176.734 176.734 178.998 -2.264 18218 8479 1 16 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.407 -2.259 18218 8480 1 16 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.547 -2.794 18218 8481 1 16 . 1 1 70 70 ALA H H 70 8.397 8.397 7.835 0.562 18218 8482 1 16 . 1 1 71 71 CYS N N 71 115.893 115.893 116.976 -1.083 18218 8483 1 16 . 1 1 71 71 CYS HA H 71 4.053 4.053 3.959 0.094 18218 8484 1 16 . 1 1 71 71 CYS C C 71 173.696 173.696 176.664 -2.968 18218 8485 1 16 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.488 -3.037 18218 8486 1 16 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.914 -4.429 18218 8487 1 16 . 1 1 71 71 CYS H H 71 8.169 8.169 7.937 0.232 18218 8488 1 16 . 1 1 72 72 ALA N N 72 122.868 122.868 122.808 0.060 18218 8489 1 16 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.947 0.313 18218 8490 1 16 . 1 1 72 72 ALA C C 72 177.886 177.886 179.293 -1.407 18218 8491 1 16 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.419 -3.386 18218 8492 1 16 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.085 -3.333 18218 8493 1 16 . 1 1 72 72 ALA H H 72 7.742 7.742 8.049 -0.307 18218 8494 1 16 . 1 1 73 73 VAL N N 73 118.066 118.066 117.860 0.206 18218 8495 1 16 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.516 0.260 18218 8496 1 16 . 1 1 73 73 VAL C C 73 175.696 175.696 178.024 -2.328 18218 8497 1 16 . 1 1 73 73 VAL CA C 73 62.649 62.649 67.157 -4.508 18218 8498 1 16 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.490 -3.386 18218 8499 1 16 . 1 1 73 73 VAL H H 73 8.050 8.050 8.652 -0.602 18218 8500 1 16 . 1 1 74 74 GLY N N 74 109.146 109.146 106.205 2.941 18218 8501 1 16 . 1 1 74 74 GLY C C 74 171.962 171.962 175.421 -3.459 18218 8502 1 16 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.295 -2.725 18218 8503 1 16 . 1 1 74 74 GLY H H 74 8.648 8.648 7.916 0.732 18218 8504 1 16 . 1 1 75 75 ALA N N 75 123.035 123.035 125.810 -2.775 18218 8505 1 16 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.200 -0.111 18218 8506 1 16 . 1 1 75 75 ALA C C 75 178.253 178.253 179.434 -1.181 18218 8507 1 16 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.858 -2.420 18218 8508 1 16 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.483 -3.793 18218 8509 1 16 . 1 1 75 75 ALA H H 75 8.213 8.213 7.923 0.290 18218 8510 1 16 . 1 1 76 76 ILE N N 76 120.121 120.121 116.332 3.789 18218 8511 1 16 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.641 0.188 18218 8512 1 16 . 1 1 76 76 ILE C C 76 176.506 176.506 178.145 -1.639 18218 8513 1 16 . 1 1 76 76 ILE CA C 76 61.318 61.318 64.800 -3.482 18218 8514 1 16 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.579 -3.211 18218 8515 1 16 . 1 1 76 76 ILE H H 76 7.523 7.523 8.182 -0.659 18218 8516 1 16 . 1 1 77 77 MET N N 77 120.468 120.468 120.583 -0.115 18218 8517 1 16 . 1 1 77 77 MET HA H 77 4.116 4.116 4.077 0.039 18218 8518 1 16 . 1 1 77 77 MET C C 77 175.038 175.038 178.304 -3.266 18218 8519 1 16 . 1 1 77 77 MET CA C 77 56.314 56.314 59.218 -2.904 18218 8520 1 16 . 1 1 77 77 MET CB C 77 34.242 34.242 32.982 1.260 18218 8521 1 16 . 1 1 77 77 MET H H 77 8.239 8.239 8.434 -0.195 18218 8522 1 16 . 1 1 78 78 LEU N N 78 119.389 119.389 120.056 -0.667 18218 8523 1 16 . 1 1 78 78 LEU HA H 78 3.964 3.964 4.003 -0.039 18218 8524 1 16 . 1 1 78 78 LEU C C 78 176.202 176.202 178.703 -2.501 18218 8525 1 16 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.358 -3.490 18218 8526 1 16 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.977 -4.192 18218 8527 1 16 . 1 1 78 78 LEU H H 78 8.571 8.571 8.430 0.141 18218 8528 1 16 . 1 1 79 79 GLY N N 79 105.857 105.857 106.822 -0.965 18218 8529 1 16 . 1 1 79 79 GLY C C 79 173.861 173.861 175.545 -1.684 18218 8530 1 16 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.331 -3.079 18218 8531 1 16 . 1 1 79 79 GLY H H 79 8.006 8.006 8.708 -0.702 18218 8532 1 16 . 1 1 80 80 ALA N N 80 125.631 125.631 124.521 1.110 18218 8533 1 16 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.135 0.160 18218 8534 1 16 . 1 1 80 80 ALA C C 80 177.544 177.544 179.832 -2.288 18218 8535 1 16 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.022 -3.018 18218 8536 1 16 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.269 -3.579 18218 8537 1 16 . 1 1 80 80 ALA H H 80 7.971 7.971 8.055 -0.084 18218 8538 1 16 . 1 1 81 81 VAL N N 81 118.858 118.858 120.180 -1.322 18218 8539 1 16 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.620 0.120 18218 8540 1 16 . 1 1 81 81 VAL C C 81 174.974 174.974 177.875 -2.901 18218 8541 1 16 . 1 1 81 81 VAL CA C 81 63.314 63.314 67.544 -4.230 18218 8542 1 16 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.392 -3.604 18218 8543 1 16 . 1 1 81 81 VAL H H 81 8.206 8.206 8.260 -0.054 18218 8544 1 16 . 1 1 82 82 TYR N N 82 121.151 121.151 119.954 1.197 18218 8545 1 16 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.154 0.123 18218 8546 1 16 . 1 1 82 82 TYR C C 82 176.038 176.038 178.653 -2.615 18218 8547 1 16 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.865 -3.063 18218 8548 1 16 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.047 -3.615 18218 8549 1 16 . 1 1 82 82 TYR H H 82 8.614 8.614 8.855 -0.241 18218 8550 1 16 . 1 1 83 83 THR N N 83 118.253 118.253 116.886 1.367 18218 8551 1 16 . 1 1 83 83 THR HA H 83 4.340 4.340 4.026 0.314 18218 8552 1 16 . 1 1 83 83 THR CA C 83 63.980 63.980 67.643 -3.663 18218 8553 1 16 . 1 1 83 83 THR CB C 83 65.437 65.437 68.800 -3.363 18218 8554 1 16 . 1 1 83 83 THR H H 83 8.361 8.361 8.625 -0.264 18218 8555 1 16 . 1 1 84 84 MET N N 84 121.616 121.616 121.232 0.384 18218 8556 1 16 . 1 1 84 84 MET C C 84 175.949 175.949 178.006 -2.057 18218 8557 1 16 . 1 1 84 84 MET CA C 84 56.603 56.603 59.951 -3.348 18218 8558 1 16 . 1 1 84 84 MET CB C 84 29.180 29.180 32.523 -3.343 18218 8559 1 16 . 1 1 84 84 MET H H 84 8.053 8.053 8.269 -0.216 18218 8560 1 16 . 1 1 85 85 TYR N N 85 120.690 120.690 119.072 1.618 18218 8561 1 16 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.935 0.235 18218 8562 1 16 . 1 1 85 85 TYR C C 85 173.709 173.709 178.083 -4.374 18218 8563 1 16 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.583 -3.099 18218 8564 1 16 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.097 -3.159 18218 8565 1 16 . 1 1 85 85 TYR H H 85 8.543 8.543 8.347 0.196 18218 8566 1 16 . 1 1 86 86 SER N N 86 115.536 115.536 112.910 2.626 18218 8567 1 16 . 1 1 86 86 SER HA H 86 3.802 3.802 4.076 -0.274 18218 8568 1 16 . 1 1 86 86 SER C C 86 174.709 174.709 177.008 -2.299 18218 8569 1 16 . 1 1 86 86 SER CA C 86 58.542 58.542 60.766 -2.224 18218 8570 1 16 . 1 1 86 86 SER CB C 86 59.243 59.243 63.192 -3.949 18218 8571 1 16 . 1 1 86 86 SER H H 86 8.422 8.422 8.200 0.222 18218 8572 1 16 . 1 1 87 87 ASP N N 87 121.132 121.132 122.046 -0.914 18218 8573 1 16 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.390 -0.041 18218 8574 1 16 . 1 1 87 87 ASP C C 87 175.177 175.177 178.102 -2.925 18218 8575 1 16 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.327 -3.558 18218 8576 1 16 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.681 -4.351 18218 8577 1 16 . 1 1 87 87 ASP H H 87 8.295 8.295 8.152 0.143 18218 8578 1 16 . 1 1 88 88 TYR N N 88 122.430 122.430 118.924 3.506 18218 8579 1 16 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.144 -0.028 18218 8580 1 16 . 1 1 88 88 TYR C C 88 174.772 174.772 176.441 -1.669 18218 8581 1 16 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.263 -1.721 18218 8582 1 16 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.892 -3.764 18218 8583 1 16 . 1 1 88 88 TYR H H 88 7.919 7.919 8.082 -0.163 18218 8584 1 16 . 1 1 89 89 VAL N N 89 118.321 118.321 117.879 0.442 18218 8585 1 16 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.926 -0.500 18218 8586 1 16 . 1 1 89 89 VAL C C 89 176.101 176.101 174.446 1.655 18218 8587 1 16 . 1 1 89 89 VAL CA C 89 62.794 62.794 62.640 0.154 18218 8588 1 16 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.623 -4.772 18218 8589 1 16 . 1 1 89 89 VAL H H 89 8.121 8.121 7.854 0.267 18218 8590 1 16 . 1 1 90 90 LYS N N 90 120.272 120.272 126.721 -6.449 18218 8591 1 16 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.443 -0.434 18218 8592 1 16 . 1 1 90 90 LYS C C 90 176.126 176.126 175.709 0.417 18218 8593 1 16 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.582 -0.731 18218 8594 1 16 . 1 1 90 90 LYS CB C 90 28.610 28.610 33.913 -5.303 18218 8595 1 16 . 1 1 90 90 LYS H H 90 7.708 7.708 8.817 -1.109 18218 8596 1 16 . 1 1 91 91 ARG N N 91 119.904 119.904 118.672 1.232 18218 8597 1 16 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.502 -0.474 18218 8598 1 16 . 1 1 91 91 ARG C C 91 175.544 175.544 174.652 0.892 18218 8599 1 16 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.639 -0.453 18218 8600 1 16 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.545 -4.276 18218 8601 1 16 . 1 1 91 91 ARG H H 91 7.685 7.685 8.295 -0.610 18218 8602 1 16 . 1 1 92 92 MET N N 92 118.654 118.654 119.711 -1.057 18218 8603 1 16 . 1 1 92 92 MET HA H 92 4.248 4.248 4.528 -0.280 18218 8604 1 16 . 1 1 92 92 MET C C 92 174.810 174.810 174.783 0.027 18218 8605 1 16 . 1 1 92 92 MET CA C 92 53.508 53.508 55.577 -2.069 18218 8606 1 16 . 1 1 92 92 MET CB C 92 26.016 26.016 35.498 -9.482 18218 8607 1 16 . 1 1 92 92 MET H H 92 7.790 7.790 7.825 -0.035 18218 8608 1 16 . 1 1 93 93 ALA N N 93 122.890 122.890 124.710 -1.820 18218 8609 1 16 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.150 0.061 18218 8610 1 16 . 1 1 93 93 ALA C C 93 175.633 175.633 176.612 -0.979 18218 8611 1 16 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.672 -2.751 18218 8612 1 16 . 1 1 93 93 ALA CB C 93 15.259 15.259 17.543 -2.284 18218 8613 1 16 . 1 1 93 93 ALA H H 93 7.648 7.648 8.641 -0.993 18218 8614 1 16 . 1 1 94 94 GLN N N 94 119.315 119.315 117.190 2.125 18218 8615 1 16 . 1 1 94 94 GLN HA H 94 4.199 4.199 3.949 0.250 18218 8616 1 16 . 1 1 94 94 GLN C C 94 173.676 173.676 174.453 -0.777 18218 8617 1 16 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.621 -3.257 18218 8618 1 16 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.216 -2.326 18218 8619 1 16 . 1 1 94 94 GLN H H 94 7.887 7.887 8.464 -0.577 18218 8620 1 16 . 1 1 95 95 ASP N N 95 121.546 121.546 118.573 2.973 18218 8621 1 16 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.657 -0.097 18218 8622 1 16 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.312 -2.828 18218 8623 1 16 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.369 -3.647 18218 8624 1 16 . 1 1 95 95 ASP H H 95 8.199 8.199 8.464 -0.265 18218 8625 1 16 . 1 1 96 96 ALA N N 96 125.033 125.033 124.047 0.986 18218 8626 1 16 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.221 0.034 18218 8627 1 16 . 1 1 96 96 ALA C C 96 175.645 175.645 178.033 -2.388 18218 8628 1 16 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.781 -3.004 18218 8629 1 16 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.801 -3.225 18218 8630 1 16 . 1 1 96 96 ALA H H 96 8.062 8.062 8.138 -0.076 18218 8631 1 16 . 1 1 97 97 GLY N N 97 108.048 108.048 111.582 -3.534 18218 8632 1 16 . 1 1 97 97 GLY C C 97 171.418 171.418 173.841 -2.423 18218 8633 1 16 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.219 -2.079 18218 8634 1 16 . 1 1 97 97 GLY H H 97 8.196 8.196 8.054 0.142 18218 8635 1 16 . 1 1 98 98 GLU N N 98 121.445 121.445 121.077 0.368 18218 8636 1 16 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.179 0.086 18218 8637 1 16 . 1 1 98 98 GLU C C 98 172.987 172.987 176.077 -3.090 18218 8638 1 16 . 1 1 98 98 GLU CA C 98 53.277 53.277 57.242 -3.965 18218 8639 1 16 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.135 -3.739 18218 8640 1 16 . 1 1 98 98 GLU H H 98 8.086 8.086 8.439 -0.353 18218 8641 1 17 . 1 1 2 2 SER N N 2 116.234 116.234 117.693 -1.459 18218 8642 1 17 . 1 1 2 2 SER HA H 2 4.828 4.828 4.273 0.555 18218 8643 1 17 . 1 1 2 2 SER C C 2 171.696 171.696 174.253 -2.557 18218 8644 1 17 . 1 1 2 2 SER CA C 2 55.273 55.273 58.733 -3.460 18218 8645 1 17 . 1 1 2 2 SER CB C 2 60.624 60.624 63.564 -2.940 18218 8646 1 17 . 1 1 2 2 SER H H 2 7.958 7.958 8.403 -0.445 18218 8647 1 17 . 1 1 3 3 ALA N N 3 125.895 125.895 126.019 -0.124 18218 8648 1 17 . 1 1 3 3 ALA C C 3 174.633 174.633 176.447 -1.814 18218 8649 1 17 . 1 1 3 3 ALA CA C 3 49.719 49.719 53.733 -4.014 18218 8650 1 17 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.517 -3.005 18218 8651 1 17 . 1 1 3 3 ALA H H 3 8.273 8.273 8.781 -0.508 18218 8652 1 17 . 1 1 4 4 ASN N N 4 118.166 118.166 119.787 -1.621 18218 8653 1 17 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.659 -0.059 18218 8654 1 17 . 1 1 4 4 ASN C C 4 172.089 172.089 173.429 -1.340 18218 8655 1 17 . 1 1 4 4 ASN CA C 4 50.269 50.269 52.948 -2.679 18218 8656 1 17 . 1 1 4 4 ASN CB C 4 35.571 35.571 40.064 -4.493 18218 8657 1 17 . 1 1 4 4 ASN H H 4 8.307 8.307 8.237 0.070 18218 8658 1 17 . 1 1 5 5 ARG N N 5 121.553 121.553 122.236 -0.683 18218 8659 1 17 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.470 -0.301 18218 8660 1 17 . 1 1 5 5 ARG C C 5 173.013 173.013 175.409 -2.396 18218 8661 1 17 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.139 -3.325 18218 8662 1 17 . 1 1 5 5 ARG CB C 5 27.218 27.218 30.989 -3.771 18218 8663 1 17 . 1 1 5 5 ARG H H 5 8.058 8.058 8.512 -0.454 18218 8664 1 17 . 1 1 6 6 ARG N N 6 122.689 122.689 124.261 -1.572 18218 8665 1 17 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.205 -0.264 18218 8666 1 17 . 1 1 6 6 ARG C C 6 173.392 173.392 175.061 -1.669 18218 8667 1 17 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.755 -4.490 18218 8668 1 17 . 1 1 6 6 ARG CB C 6 26.206 26.206 29.745 -3.539 18218 8669 1 17 . 1 1 6 6 ARG H H 6 8.122 8.122 8.479 -0.357 18218 8670 1 17 . 1 1 7 7 TRP N N 7 120.901 120.901 126.093 -5.192 18218 8671 1 17 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.516 -0.098 18218 8672 1 17 . 1 1 7 7 TRP C C 7 172.557 172.557 176.802 -4.245 18218 8673 1 17 . 1 1 7 7 TRP CA C 7 54.521 54.521 58.267 -3.746 18218 8674 1 17 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.143 -4.064 18218 8675 1 17 . 1 1 7 7 TRP H H 7 7.585 7.585 8.467 -0.882 18218 8676 1 17 . 1 1 8 8 TRP N N 8 118.192 118.192 122.334 -4.142 18218 8677 1 17 . 1 1 8 8 TRP HA H 8 4.451 4.451 5.052 -0.601 18218 8678 1 17 . 1 1 8 8 TRP C C 8 171.456 171.456 175.014 -3.558 18218 8679 1 17 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.407 -2.465 18218 8680 1 17 . 1 1 8 8 TRP CB C 8 25.510 25.510 30.901 -5.391 18218 8681 1 17 . 1 1 8 8 TRP H H 8 6.811 6.811 8.172 -1.361 18218 8682 1 17 . 1 1 9 9 VAL N N 9 122.005 122.005 125.302 -3.297 18218 8683 1 17 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.718 -0.566 18218 8684 1 17 . 1 1 9 9 VAL C C 9 170.671 170.671 174.263 -3.592 18218 8685 1 17 . 1 1 9 9 VAL CA C 9 56.083 56.083 58.639 -2.557 18218 8686 1 17 . 1 1 9 9 VAL CB C 9 29.180 29.180 34.465 -5.285 18218 8687 1 17 . 1 1 9 9 VAL H H 9 6.949 6.949 8.401 -1.452 18218 8688 1 17 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.498 -2.166 18218 8689 1 17 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.668 -3.285 18218 8690 1 17 . 1 1 12 12 ASP N N 12 119.443 119.443 121.633 -2.190 18218 8691 1 17 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.798 -0.274 18218 8692 1 17 . 1 1 12 12 ASP C C 12 174.215 174.215 175.068 -0.853 18218 8693 1 17 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.214 -2.788 18218 8694 1 17 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.752 -4.473 18218 8695 1 17 . 1 1 12 12 ASP H H 12 8.241 8.241 8.390 -0.149 18218 8696 1 17 . 1 1 13 13 ASP N N 13 119.369 119.369 122.442 -3.073 18218 8697 1 17 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.609 -0.029 18218 8698 1 17 . 1 1 13 13 ASP C C 13 175.379 175.379 175.158 0.221 18218 8699 1 17 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.394 -3.287 18218 8700 1 17 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.059 -4.717 18218 8701 1 17 . 1 1 13 13 ASP H H 13 7.980 7.980 8.488 -0.508 18218 8702 1 17 . 1 1 14 14 GLU N N 14 121.036 121.036 122.253 -1.217 18218 8703 1 17 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.482 -0.322 18218 8704 1 17 . 1 1 14 14 GLU C C 14 173.633 173.633 175.245 -1.612 18218 8705 1 17 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.011 -1.895 18218 8706 1 17 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.061 -3.855 18218 8707 1 17 . 1 1 14 14 GLU H H 14 8.197 8.197 8.404 -0.207 18218 8708 1 17 . 1 1 15 15 ASP N N 15 120.130 120.130 123.757 -3.627 18218 8709 1 17 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.884 -0.242 18218 8710 1 17 . 1 1 15 15 ASP C C 15 173.595 173.595 176.437 -2.842 18218 8711 1 17 . 1 1 15 15 ASP CA C 15 51.455 51.455 53.303 -1.848 18218 8712 1 17 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.711 -5.242 18218 8713 1 17 . 1 1 15 15 ASP H H 15 8.308 8.308 8.429 -0.121 18218 8714 1 17 . 1 1 16 16 CYS N N 16 118.700 118.700 123.426 -4.726 18218 8715 1 17 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.239 0.212 18218 8716 1 17 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.765 -5.029 18218 8717 1 17 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.250 -3.563 18218 8718 1 17 . 1 1 16 16 CYS H H 16 7.968 7.968 8.879 -0.911 18218 8719 1 17 . 1 1 17 17 VAL N N 17 123.275 123.275 114.455 8.820 18218 8720 1 17 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.127 -0.399 18218 8721 1 17 . 1 1 17 17 VAL C C 17 174.430 174.430 175.198 -0.768 18218 8722 1 17 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.288 0.216 18218 8723 1 17 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.745 -4.514 18218 8724 1 17 . 1 1 17 17 VAL H H 17 8.550 8.550 7.907 0.643 18218 8725 1 17 . 1 1 18 18 SER N N 18 116.499 116.499 114.500 1.999 18218 8726 1 17 . 1 1 18 18 SER HA H 18 3.822 3.822 4.127 -0.305 18218 8727 1 17 . 1 1 18 18 SER CA C 18 58.484 58.484 58.750 -0.266 18218 8728 1 17 . 1 1 18 18 SER CB C 18 59.109 59.109 63.598 -4.489 18218 8729 1 17 . 1 1 18 18 SER H H 18 8.447 8.447 8.039 0.408 18218 8730 1 17 . 1 1 19 19 GLU N N 19 121.940 121.940 121.646 0.294 18218 8731 1 17 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.959 0.051 18218 8732 1 17 . 1 1 19 19 GLU C C 19 175.544 175.544 178.388 -2.844 18218 8733 1 17 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.993 -4.373 18218 8734 1 17 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.587 -4.139 18218 8735 1 17 . 1 1 19 19 GLU H H 19 7.686 7.686 8.807 -1.121 18218 8736 1 17 . 1 1 20 20 LYS N N 20 119.855 119.855 119.989 -0.134 18218 8737 1 17 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.066 -0.146 18218 8738 1 17 . 1 1 20 20 LYS C C 20 173.696 173.696 178.955 -5.259 18218 8739 1 17 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.075 -3.021 18218 8740 1 17 . 1 1 20 20 LYS CB C 20 28.927 28.927 31.950 -3.023 18218 8741 1 17 . 1 1 20 20 LYS H H 20 7.898 7.898 7.769 0.129 18218 8742 1 17 . 1 1 21 21 LEU N N 21 119.542 119.542 121.062 -1.520 18218 8743 1 17 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.064 -0.023 18218 8744 1 17 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.652 -3.305 18218 8745 1 17 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.310 -2.892 18218 8746 1 17 . 1 1 21 21 LEU H H 21 8.056 8.056 8.088 -0.032 18218 8747 1 17 . 1 1 22 22 LEU N N 22 120.384 120.384 119.257 1.127 18218 8748 1 17 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.875 0.175 18218 8749 1 17 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.217 -3.870 18218 8750 1 17 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.796 -3.884 18218 8751 1 17 . 1 1 22 22 LEU H H 22 8.097 8.097 8.522 -0.425 18218 8752 1 17 . 1 1 23 23 ARG N N 23 119.486 119.486 117.464 2.022 18218 8753 1 17 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.038 -0.043 18218 8754 1 17 . 1 1 23 23 ARG C C 23 175.443 175.443 178.367 -2.924 18218 8755 1 17 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.395 -2.572 18218 8756 1 17 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.358 -4.026 18218 8757 1 17 . 1 1 23 23 ARG H H 23 8.032 8.032 8.022 0.010 18218 8758 1 17 . 1 1 24 24 LYS N N 24 119.009 119.009 118.776 0.233 18218 8759 1 17 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.062 0.078 18218 8760 1 17 . 1 1 24 24 LYS C C 24 175.633 175.633 178.488 -2.855 18218 8761 1 17 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.650 -3.926 18218 8762 1 17 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.166 -3.556 18218 8763 1 17 . 1 1 24 24 LYS H H 24 7.860 7.860 8.022 -0.162 18218 8764 1 17 . 1 1 25 25 THR N N 25 112.776 112.776 113.405 -0.629 18218 8765 1 17 . 1 1 25 25 THR HA H 25 4.005 4.005 4.012 -0.007 18218 8766 1 17 . 1 1 25 25 THR C C 25 172.646 172.646 175.781 -3.135 18218 8767 1 17 . 1 1 25 25 THR CA C 25 61.810 61.810 64.984 -3.174 18218 8768 1 17 . 1 1 25 25 THR CB C 25 65.753 65.753 69.162 -3.409 18218 8769 1 17 . 1 1 25 25 THR H H 25 7.867 7.867 8.369 -0.502 18218 8770 1 17 . 1 1 26 26 ARG N N 26 119.996 119.996 116.255 3.741 18218 8771 1 17 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.451 -0.304 18218 8772 1 17 . 1 1 26 26 ARG C C 26 174.278 174.278 175.153 -0.875 18218 8773 1 17 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.972 -2.625 18218 8774 1 17 . 1 1 26 26 ARG CB C 26 27.028 27.028 31.082 -4.054 18218 8775 1 17 . 1 1 26 26 ARG H H 26 7.765 7.765 8.539 -0.774 18218 8776 1 17 . 1 1 27 27 GLU N N 27 118.067 118.067 117.876 0.191 18218 8777 1 17 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.376 -0.089 18218 8778 1 17 . 1 1 27 27 GLU C C 27 173.582 173.582 175.738 -2.156 18218 8779 1 17 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.490 -3.126 18218 8780 1 17 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.271 -4.065 18218 8781 1 17 . 1 1 27 27 GLU H H 27 7.764 7.764 8.545 -0.781 18218 8782 1 17 . 1 1 28 28 SER N N 28 115.900 115.900 117.321 -1.421 18218 8783 1 17 . 1 1 28 28 SER HA H 28 4.740 4.740 4.447 0.293 18218 8784 1 17 . 1 1 28 28 SER C C 28 170.481 170.481 173.773 -3.292 18218 8785 1 17 . 1 1 28 28 SER CA C 28 53.132 53.132 58.270 -5.138 18218 8786 1 17 . 1 1 28 28 SER CB C 28 60.624 60.624 63.111 -2.487 18218 8787 1 17 . 1 1 28 28 SER H H 28 7.630 7.630 8.239 -0.609 18218 8788 1 17 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.519 0.017 18218 8789 1 17 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.240 -1.949 18218 8790 1 17 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.644 -3.197 18218 8791 1 17 . 1 1 30 30 LEU N N 30 120.365 120.365 120.016 0.349 18218 8792 1 17 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.290 -0.081 18218 8793 1 17 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.607 -3.851 18218 8794 1 17 . 1 1 30 30 LEU CB C 30 38.924 38.924 42.205 -3.281 18218 8795 1 17 . 1 1 30 30 LEU H H 30 8.034 8.034 8.544 -0.510 18218 8796 1 17 . 1 1 31 31 VAL N N 31 117.988 117.988 120.840 -2.852 18218 8797 1 17 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.732 0.501 18218 8798 1 17 . 1 1 31 31 VAL C C 31 171.899 171.899 175.889 -3.990 18218 8799 1 17 . 1 1 31 31 VAL CA C 31 57.587 57.587 67.982 -10.395 18218 8800 1 17 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.624 -0.914 18218 8801 1 17 . 1 1 31 31 VAL H H 31 7.499 7.499 8.186 -0.687 18218 8802 1 17 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.352 0.185 18218 8803 1 17 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.762 -5.666 18218 8804 1 17 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.313 -3.563 18218 8805 1 17 . 1 1 33 33 ILE N N 33 121.507 121.507 118.901 2.606 18218 8806 1 17 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.588 0.331 18218 8807 1 17 . 1 1 33 33 ILE C C 33 173.025 173.025 178.338 -5.313 18218 8808 1 17 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.948 -5.076 18218 8809 1 17 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.533 -3.038 18218 8810 1 17 . 1 1 33 33 ILE H H 33 7.982 7.982 7.749 0.233 18218 8811 1 17 . 1 1 34 34 GLY N N 34 111.381 111.381 107.224 4.157 18218 8812 1 17 . 1 1 34 34 GLY C C 34 172.987 172.987 175.570 -2.583 18218 8813 1 17 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.801 -3.793 18218 8814 1 17 . 1 1 34 34 GLY H H 34 8.540 8.540 8.680 -0.140 18218 8815 1 17 . 1 1 35 35 LEU N N 35 122.626 122.626 123.334 -0.708 18218 8816 1 17 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.876 0.373 18218 8817 1 17 . 1 1 35 35 LEU C C 35 175.637 175.637 178.923 -3.286 18218 8818 1 17 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.812 -3.580 18218 8819 1 17 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.850 -3.242 18218 8820 1 17 . 1 1 35 35 LEU H H 35 7.964 7.964 7.830 0.134 18218 8821 1 17 . 1 1 36 36 GLY N N 36 106.708 106.708 105.919 0.789 18218 8822 1 17 . 1 1 36 36 GLY C C 36 172.647 172.647 175.877 -3.230 18218 8823 1 17 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.093 -2.667 18218 8824 1 17 . 1 1 36 36 GLY H H 36 8.521 8.521 8.529 -0.008 18218 8825 1 17 . 1 1 37 37 GLY N N 37 108.586 108.586 109.008 -0.422 18218 8826 1 17 . 1 1 37 37 GLY C C 37 173.291 173.291 176.091 -2.800 18218 8827 1 17 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.830 -2.694 18218 8828 1 17 . 1 1 37 37 GLY H H 37 8.270 8.270 8.300 -0.030 18218 8829 1 17 . 1 1 38 38 CYS N N 38 119.678 119.678 120.982 -1.304 18218 8830 1 17 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.234 0.010 18218 8831 1 17 . 1 1 38 38 CYS C C 38 174.215 174.215 176.271 -2.056 18218 8832 1 17 . 1 1 38 38 CYS CA C 38 59.236 59.236 63.486 -4.250 18218 8833 1 17 . 1 1 38 38 CYS CB C 38 23.359 23.359 28.002 -4.643 18218 8834 1 17 . 1 1 38 38 CYS H H 38 7.836 7.836 8.151 -0.315 18218 8835 1 17 . 1 1 39 39 LEU N N 39 120.798 120.798 121.519 -0.721 18218 8836 1 17 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.875 0.238 18218 8837 1 17 . 1 1 39 39 LEU C C 39 175.506 175.506 178.929 -3.423 18218 8838 1 17 . 1 1 39 39 LEU CA C 39 54.868 54.868 59.002 -4.134 18218 8839 1 17 . 1 1 39 39 LEU CB C 39 37.849 37.849 42.072 -4.223 18218 8840 1 17 . 1 1 39 39 LEU H H 39 7.999 7.999 8.130 -0.131 18218 8841 1 17 . 1 1 40 40 VAL N N 40 118.510 118.510 118.104 0.406 18218 8842 1 17 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.754 -0.158 18218 8843 1 17 . 1 1 40 40 VAL C C 40 174.544 174.544 177.376 -2.832 18218 8844 1 17 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.539 -2.820 18218 8845 1 17 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.831 -3.917 18218 8846 1 17 . 1 1 40 40 VAL H H 40 7.803 7.803 8.173 -0.370 18218 8847 1 17 . 1 1 41 41 VAL N N 41 119.131 119.131 121.127 -1.996 18218 8848 1 17 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.523 0.169 18218 8849 1 17 . 1 1 41 41 VAL C C 41 175.924 175.924 177.518 -1.594 18218 8850 1 17 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.689 -3.230 18218 8851 1 17 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.012 -2.971 18218 8852 1 17 . 1 1 41 41 VAL H H 41 7.624 7.624 7.736 -0.112 18218 8853 1 17 . 1 1 42 42 ALA N N 42 122.172 122.172 121.923 0.249 18218 8854 1 17 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.838 0.267 18218 8855 1 17 . 1 1 42 42 ALA C C 42 176.582 176.582 178.950 -2.368 18218 8856 1 17 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.544 -3.280 18218 8857 1 17 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.921 -3.041 18218 8858 1 17 . 1 1 42 42 ALA H H 42 8.008 8.008 8.447 -0.439 18218 8859 1 17 . 1 1 43 43 ALA N N 43 119.990 119.990 121.858 -1.868 18218 8860 1 17 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.042 -0.051 18218 8861 1 17 . 1 1 43 43 ALA C C 43 176.455 176.455 179.780 -3.325 18218 8862 1 17 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.138 -2.845 18218 8863 1 17 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.148 -3.268 18218 8864 1 17 . 1 1 43 43 ALA H H 43 8.400 8.400 7.906 0.494 18218 8865 1 17 . 1 1 44 44 TYR N N 44 118.221 118.221 118.563 -0.342 18218 8866 1 17 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.153 0.066 18218 8867 1 17 . 1 1 44 44 TYR C C 44 175.177 175.177 178.337 -3.160 18218 8868 1 17 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.600 -4.319 18218 8869 1 17 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.185 -3.563 18218 8870 1 17 . 1 1 44 44 TYR H H 44 8.345 8.345 8.522 -0.177 18218 8871 1 17 . 1 1 45 45 ARG N N 45 119.104 119.104 119.733 -0.629 18218 8872 1 17 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.951 -0.118 18218 8873 1 17 . 1 1 45 45 ARG C C 45 176.531 176.531 179.021 -2.490 18218 8874 1 17 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.772 -3.342 18218 8875 1 17 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.898 -3.692 18218 8876 1 17 . 1 1 45 45 ARG H H 45 8.275 8.275 8.540 -0.265 18218 8877 1 17 . 1 1 46 46 ILE N N 46 119.719 119.719 119.187 0.532 18218 8878 1 17 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.718 -0.017 18218 8879 1 17 . 1 1 46 46 ILE C C 46 174.873 174.873 178.054 -3.181 18218 8880 1 17 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.428 -2.994 18218 8881 1 17 . 1 1 46 46 ILE CB C 46 33.862 33.862 36.722 -2.860 18218 8882 1 17 . 1 1 46 46 ILE H H 46 8.119 8.119 8.554 -0.435 18218 8883 1 17 . 1 1 47 47 TYR N N 47 121.419 121.419 120.067 1.352 18218 8884 1 17 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.955 0.027 18218 8885 1 17 . 1 1 47 47 TYR C C 47 175.544 175.544 177.587 -2.043 18218 8886 1 17 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.194 -3.595 18218 8887 1 17 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.120 -3.244 18218 8888 1 17 . 1 1 47 47 TYR H H 47 8.383 8.383 8.314 0.069 18218 8889 1 17 . 1 1 48 48 ARG N N 48 118.278 118.278 116.860 1.418 18218 8890 1 17 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.047 -0.355 18218 8891 1 17 . 1 1 48 48 ARG C C 48 175.671 175.671 178.148 -2.477 18218 8892 1 17 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.344 -3.389 18218 8893 1 17 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.172 -4.219 18218 8894 1 17 . 1 1 48 48 ARG H H 48 8.074 8.074 8.188 -0.114 18218 8895 1 17 . 1 1 49 49 LEU N N 49 120.350 120.350 119.126 1.224 18218 8896 1 17 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.121 0.027 18218 8897 1 17 . 1 1 49 49 LEU C C 49 175.772 175.772 178.255 -2.483 18218 8898 1 17 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.670 -4.162 18218 8899 1 17 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.419 -3.938 18218 8900 1 17 . 1 1 49 49 LEU H H 49 7.744 7.744 7.898 -0.154 18218 8901 1 17 . 1 1 50 50 ARG N N 50 117.990 117.990 118.793 -0.803 18218 8902 1 17 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.363 -0.209 18218 8903 1 17 . 1 1 50 50 ARG C C 50 174.139 174.139 174.911 -0.772 18218 8904 1 17 . 1 1 50 50 ARG CA C 50 54.058 54.058 56.362 -2.304 18218 8905 1 17 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.410 -4.204 18218 8906 1 17 . 1 1 50 50 ARG H H 50 7.686 7.686 8.015 -0.329 18218 8907 1 17 . 1 1 51 51 SER N N 51 115.124 115.124 118.564 -3.440 18218 8908 1 17 . 1 1 51 51 SER HA H 51 4.274 4.274 4.591 -0.317 18218 8909 1 17 . 1 1 51 51 SER C C 51 172.392 172.392 173.696 -1.304 18218 8910 1 17 . 1 1 51 51 SER CA C 51 56.112 56.112 56.895 -0.783 18218 8911 1 17 . 1 1 51 51 SER CB C 51 60.075 60.075 63.821 -3.745 18218 8912 1 17 . 1 1 51 51 SER H H 51 7.873 7.873 8.690 -0.817 18218 8913 1 17 . 1 1 52 52 ARG N N 52 122.132 122.132 122.089 0.043 18218 8914 1 17 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.210 0.066 18218 8915 1 17 . 1 1 52 52 ARG C C 52 174.316 174.316 177.399 -3.083 18218 8916 1 17 . 1 1 52 52 ARG CA C 52 53.422 53.422 57.322 -3.901 18218 8917 1 17 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.206 -3.874 18218 8918 1 17 . 1 1 52 52 ARG H H 52 7.923 7.923 8.234 -0.311 18218 8919 1 17 . 1 1 53 53 GLY N N 53 108.907 108.907 113.507 -4.600 18218 8920 1 17 . 1 1 53 53 GLY C C 53 171.405 171.405 174.511 -3.106 18218 8921 1 17 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.465 -3.006 18218 8922 1 17 . 1 1 53 53 GLY H H 53 8.142 8.142 8.721 -0.579 18218 8923 1 17 . 1 1 54 54 SER N N 54 115.609 115.609 117.131 -1.522 18218 8924 1 17 . 1 1 54 54 SER HA H 54 4.470 4.470 4.735 -0.265 18218 8925 1 17 . 1 1 54 54 SER C C 54 172.367 172.367 174.930 -2.563 18218 8926 1 17 . 1 1 54 54 SER CA C 54 55.504 55.504 58.521 -3.017 18218 8927 1 17 . 1 1 54 54 SER CB C 54 60.537 60.537 64.803 -4.266 18218 8928 1 17 . 1 1 54 54 SER H H 54 8.042 8.042 8.338 -0.296 18218 8929 1 17 . 1 1 55 55 THR N N 55 117.148 117.148 115.651 1.497 18218 8930 1 17 . 1 1 55 55 THR HA H 55 4.244 4.244 4.006 0.238 18218 8931 1 17 . 1 1 55 55 THR C C 55 171.785 171.785 173.074 -1.289 18218 8932 1 17 . 1 1 55 55 THR CA C 55 59.612 59.612 63.678 -4.066 18218 8933 1 17 . 1 1 55 55 THR CB C 55 66.322 66.322 67.352 -1.030 18218 8934 1 17 . 1 1 55 55 THR H H 55 8.123 8.123 8.323 -0.200 18218 8935 1 17 . 1 1 56 56 LYS N N 56 123.462 123.462 120.331 3.131 18218 8936 1 17 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.360 -0.116 18218 8937 1 17 . 1 1 56 56 LYS C C 56 173.848 173.848 176.511 -2.663 18218 8938 1 17 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.197 -2.631 18218 8939 1 17 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.752 -4.635 18218 8940 1 17 . 1 1 56 56 LYS H H 56 8.184 8.184 7.698 0.486 18218 8941 1 17 . 1 1 57 57 MET N N 57 121.145 121.145 121.186 -0.041 18218 8942 1 17 . 1 1 57 57 MET HA H 57 4.425 4.425 3.906 0.519 18218 8943 1 17 . 1 1 57 57 MET C C 57 172.835 172.835 176.709 -3.874 18218 8944 1 17 . 1 1 57 57 MET CA C 57 52.930 52.930 57.589 -4.659 18218 8945 1 17 . 1 1 57 57 MET CB C 57 29.876 29.876 31.841 -1.965 18218 8946 1 17 . 1 1 57 57 MET H H 57 8.153 8.153 8.974 -0.821 18218 8947 1 17 . 1 1 58 58 SER N N 58 116.811 116.811 113.326 3.485 18218 8948 1 17 . 1 1 58 58 SER HA H 58 4.470 4.470 4.155 0.315 18218 8949 1 17 . 1 1 58 58 SER C C 58 171.620 171.620 173.695 -2.075 18218 8950 1 17 . 1 1 58 58 SER CA C 58 55.041 55.041 60.119 -5.078 18218 8951 1 17 . 1 1 58 58 SER CB C 58 60.653 60.653 63.028 -2.375 18218 8952 1 17 . 1 1 58 58 SER H H 58 7.895 7.895 8.681 -0.786 18218 8953 1 17 . 1 1 59 59 ILE N N 59 122.346 122.346 116.997 5.349 18218 8954 1 17 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.507 -0.517 18218 8955 1 17 . 1 1 59 59 ILE C C 59 173.127 173.127 175.381 -2.254 18218 8956 1 17 . 1 1 59 59 ILE CA C 59 58.542 58.542 60.538 -1.996 18218 8957 1 17 . 1 1 59 59 ILE CB C 59 34.938 34.938 40.166 -5.228 18218 8958 1 17 . 1 1 59 59 ILE H H 59 8.110 8.110 7.702 0.408 18218 8959 1 17 . 1 1 60 60 HIS N N 60 121.006 121.006 123.569 -2.563 18218 8960 1 17 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.523 -0.509 18218 8961 1 17 . 1 1 60 60 HIS C C 60 172.443 172.443 175.957 -3.514 18218 8962 1 17 . 1 1 60 60 HIS CA C 60 53.364 53.364 58.322 -4.958 18218 8963 1 17 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.075 -4.565 18218 8964 1 17 . 1 1 60 60 HIS H H 60 8.235 8.235 8.707 -0.472 18218 8965 1 17 . 1 1 61 61 LEU N N 61 120.472 120.472 118.174 2.298 18218 8966 1 17 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.056 0.133 18218 8967 1 17 . 1 1 61 61 LEU CA C 61 53.190 53.190 56.640 -3.450 18218 8968 1 17 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.410 -3.546 18218 8969 1 17 . 1 1 61 61 LEU H H 61 8.045 8.045 7.801 0.244 18218 8970 1 17 . 1 1 62 62 ILE N N 62 117.281 117.281 115.720 1.561 18218 8971 1 17 . 1 1 62 62 ILE HA H 62 3.897 3.897 3.861 0.036 18218 8972 1 17 . 1 1 62 62 ILE CA C 62 59.149 59.149 61.234 -2.085 18218 8973 1 17 . 1 1 62 62 ILE CB C 62 34.432 34.432 36.855 -2.423 18218 8974 1 17 . 1 1 62 62 ILE H H 62 7.555 7.555 7.792 -0.237 18218 8975 1 17 . 1 1 63 63 HIS N N 63 119.488 119.488 118.331 1.157 18218 8976 1 17 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.454 0.183 18218 8977 1 17 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.487 -4.049 18218 8978 1 17 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.257 -4.127 18218 8979 1 17 . 1 1 63 63 HIS H H 63 8.179 8.179 8.131 0.048 18218 8980 1 17 . 1 1 64 64 THR N N 64 112.132 112.132 117.195 -5.063 18218 8981 1 17 . 1 1 64 64 THR HA H 64 4.296 4.296 4.366 -0.070 18218 8982 1 17 . 1 1 64 64 THR C C 64 175.063 175.063 174.684 0.379 18218 8983 1 17 . 1 1 64 64 THR CA C 64 58.802 58.802 62.803 -4.001 18218 8984 1 17 . 1 1 64 64 THR CB C 64 67.588 67.588 70.348 -2.760 18218 8985 1 17 . 1 1 64 64 THR H H 64 7.576 7.576 8.143 -0.567 18218 8986 1 17 . 1 1 65 65 ARG N N 65 123.493 123.493 119.080 4.413 18218 8987 1 17 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.537 -0.241 18218 8988 1 17 . 1 1 65 65 ARG C C 65 175.633 175.633 177.457 -1.824 18218 8989 1 17 . 1 1 65 65 ARG CA C 65 55.331 55.331 56.845 -1.514 18218 8990 1 17 . 1 1 65 65 ARG CB C 65 26.143 26.143 31.076 -4.933 18218 8991 1 17 . 1 1 65 65 ARG H H 65 8.713 8.713 7.923 0.790 18218 8992 1 17 . 1 1 66 66 VAL N N 66 117.974 117.974 119.879 -1.905 18218 8993 1 17 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.879 0.118 18218 8994 1 17 . 1 1 66 66 VAL C C 66 174.215 174.215 177.352 -3.137 18218 8995 1 17 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.469 -3.775 18218 8996 1 17 . 1 1 66 66 VAL CB C 66 28.041 28.041 30.741 -2.700 18218 8997 1 17 . 1 1 66 66 VAL H H 66 7.987 7.987 8.088 -0.101 18218 8998 1 17 . 1 1 67 67 ALA N N 67 123.016 123.016 123.946 -0.930 18218 8999 1 17 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.163 -0.163 18218 9000 1 17 . 1 1 67 67 ALA C C 67 175.367 175.367 179.372 -4.005 18218 9001 1 17 . 1 1 67 67 ALA CA C 67 52.120 52.120 54.938 -2.818 18218 9002 1 17 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.934 -3.181 18218 9003 1 17 . 1 1 67 67 ALA H H 67 7.645 7.645 8.188 -0.543 18218 9004 1 17 . 1 1 68 68 ALA N N 68 120.682 120.682 120.599 0.083 18218 9005 1 17 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.913 0.266 18218 9006 1 17 . 1 1 68 68 ALA C C 68 178.354 178.354 179.751 -1.397 18218 9007 1 17 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.417 -3.268 18218 9008 1 17 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.987 -3.234 18218 9009 1 17 . 1 1 68 68 ALA H H 68 7.931 7.931 8.572 -0.641 18218 9010 1 17 . 1 1 69 69 GLN N N 69 119.129 119.129 118.687 0.442 18218 9011 1 17 . 1 1 69 69 GLN HA H 69 4.276 4.276 4.047 0.229 18218 9012 1 17 . 1 1 69 69 GLN C C 69 175.430 175.430 178.118 -2.688 18218 9013 1 17 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.400 -3.127 18218 9014 1 17 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.742 -3.612 18218 9015 1 17 . 1 1 69 69 GLN H H 69 8.213 8.213 7.963 0.250 18218 9016 1 17 . 1 1 70 70 ALA N N 70 122.065 122.065 122.731 -0.666 18218 9017 1 17 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.780 0.220 18218 9018 1 17 . 1 1 70 70 ALA C C 70 176.734 176.734 179.375 -2.641 18218 9019 1 17 . 1 1 70 70 ALA CA C 70 52.149 52.149 55.027 -2.878 18218 9020 1 17 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.809 -3.056 18218 9021 1 17 . 1 1 70 70 ALA H H 70 8.397 8.397 8.138 0.259 18218 9022 1 17 . 1 1 71 71 CYS N N 71 115.893 115.893 116.051 -0.158 18218 9023 1 17 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.094 -0.041 18218 9024 1 17 . 1 1 71 71 CYS C C 71 173.696 173.696 176.652 -2.956 18218 9025 1 17 . 1 1 71 71 CYS CA C 71 60.451 60.451 61.462 -1.011 18218 9026 1 17 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.706 -3.221 18218 9027 1 17 . 1 1 71 71 CYS H H 71 8.169 8.169 8.396 -0.227 18218 9028 1 17 . 1 1 72 72 ALA N N 72 122.868 122.868 123.572 -0.704 18218 9029 1 17 . 1 1 72 72 ALA HA H 72 4.260 4.260 3.913 0.347 18218 9030 1 17 . 1 1 72 72 ALA C C 72 177.886 177.886 179.275 -1.389 18218 9031 1 17 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.435 -3.402 18218 9032 1 17 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.964 -3.211 18218 9033 1 17 . 1 1 72 72 ALA H H 72 7.742 7.742 7.916 -0.174 18218 9034 1 17 . 1 1 73 73 VAL N N 73 118.066 118.066 115.698 2.368 18218 9035 1 17 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.634 0.142 18218 9036 1 17 . 1 1 73 73 VAL C C 73 175.696 175.696 177.747 -2.051 18218 9037 1 17 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.169 -3.520 18218 9038 1 17 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.125 -3.021 18218 9039 1 17 . 1 1 73 73 VAL H H 73 8.050 8.050 8.219 -0.169 18218 9040 1 17 . 1 1 74 74 GLY N N 74 109.146 109.146 108.196 0.950 18218 9041 1 17 . 1 1 74 74 GLY C C 74 171.962 171.962 175.623 -3.661 18218 9042 1 17 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.476 -2.906 18218 9043 1 17 . 1 1 74 74 GLY H H 74 8.648 8.648 7.905 0.743 18218 9044 1 17 . 1 1 75 75 ALA N N 75 123.035 123.035 124.656 -1.621 18218 9045 1 17 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.017 0.072 18218 9046 1 17 . 1 1 75 75 ALA C C 75 178.253 178.253 179.432 -1.179 18218 9047 1 17 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.733 -2.295 18218 9048 1 17 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.375 -3.685 18218 9049 1 17 . 1 1 75 75 ALA H H 75 8.213 8.213 8.143 0.070 18218 9050 1 17 . 1 1 76 76 ILE N N 76 120.121 120.121 119.478 0.643 18218 9051 1 17 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.405 0.424 18218 9052 1 17 . 1 1 76 76 ILE C C 76 176.506 176.506 178.112 -1.606 18218 9053 1 17 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.682 -4.364 18218 9054 1 17 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.732 -3.364 18218 9055 1 17 . 1 1 76 76 ILE H H 76 7.523 7.523 8.077 -0.554 18218 9056 1 17 . 1 1 77 77 MET N N 77 120.468 120.468 118.231 2.237 18218 9057 1 17 . 1 1 77 77 MET HA H 77 4.116 4.116 4.017 0.099 18218 9058 1 17 . 1 1 77 77 MET C C 77 175.038 175.038 178.411 -3.373 18218 9059 1 17 . 1 1 77 77 MET CA C 77 56.314 56.314 59.421 -3.107 18218 9060 1 17 . 1 1 77 77 MET CB C 77 34.242 34.242 32.603 1.639 18218 9061 1 17 . 1 1 77 77 MET H H 77 8.239 8.239 8.132 0.107 18218 9062 1 17 . 1 1 78 78 LEU N N 78 119.389 119.389 119.697 -0.308 18218 9063 1 17 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.912 0.052 18218 9064 1 17 . 1 1 78 78 LEU C C 78 176.202 176.202 178.961 -2.759 18218 9065 1 17 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.447 -3.579 18218 9066 1 17 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.675 -3.889 18218 9067 1 17 . 1 1 78 78 LEU H H 78 8.571 8.571 8.350 0.221 18218 9068 1 17 . 1 1 79 79 GLY N N 79 105.857 105.857 105.870 -0.013 18218 9069 1 17 . 1 1 79 79 GLY C C 79 173.861 173.861 175.225 -1.364 18218 9070 1 17 . 1 1 79 79 GLY CA C 79 44.252 44.252 46.620 -2.369 18218 9071 1 17 . 1 1 79 79 GLY H H 79 8.006 8.006 8.476 -0.470 18218 9072 1 17 . 1 1 80 80 ALA N N 80 125.631 125.631 125.505 0.126 18218 9073 1 17 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.936 0.359 18218 9074 1 17 . 1 1 80 80 ALA C C 80 177.544 177.544 179.694 -2.150 18218 9075 1 17 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.396 -3.392 18218 9076 1 17 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.540 -3.850 18218 9077 1 17 . 1 1 80 80 ALA H H 80 7.971 7.971 8.106 -0.135 18218 9078 1 17 . 1 1 81 81 VAL N N 81 118.858 118.858 116.555 2.303 18218 9079 1 17 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.717 0.023 18218 9080 1 17 . 1 1 81 81 VAL C C 81 174.974 174.974 177.687 -2.713 18218 9081 1 17 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.196 -1.882 18218 9082 1 17 . 1 1 81 81 VAL CB C 81 27.788 27.788 30.044 -2.256 18218 9083 1 17 . 1 1 81 81 VAL H H 81 8.206 8.206 8.449 -0.243 18218 9084 1 17 . 1 1 82 82 TYR N N 82 121.151 121.151 121.295 -0.144 18218 9085 1 17 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.975 0.302 18218 9086 1 17 . 1 1 82 82 TYR C C 82 176.038 176.038 178.381 -2.343 18218 9087 1 17 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.816 -4.014 18218 9088 1 17 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.972 -3.541 18218 9089 1 17 . 1 1 82 82 TYR H H 82 8.614 8.614 8.218 0.396 18218 9090 1 17 . 1 1 83 83 THR N N 83 118.253 118.253 114.917 3.336 18218 9091 1 17 . 1 1 83 83 THR HA H 83 4.340 4.340 4.020 0.320 18218 9092 1 17 . 1 1 83 83 THR CA C 83 63.980 63.980 67.380 -3.401 18218 9093 1 17 . 1 1 83 83 THR CB C 83 65.437 65.437 68.875 -3.438 18218 9094 1 17 . 1 1 83 83 THR H H 83 8.361 8.361 8.494 -0.133 18218 9095 1 17 . 1 1 84 84 MET N N 84 121.616 121.616 122.426 -0.810 18218 9096 1 17 . 1 1 84 84 MET C C 84 175.949 175.949 178.026 -2.077 18218 9097 1 17 . 1 1 84 84 MET CA C 84 56.603 56.603 59.089 -2.486 18218 9098 1 17 . 1 1 84 84 MET CB C 84 29.180 29.180 31.979 -2.799 18218 9099 1 17 . 1 1 84 84 MET H H 84 8.053 8.053 8.190 -0.137 18218 9100 1 17 . 1 1 85 85 TYR N N 85 120.690 120.690 119.303 1.387 18218 9101 1 17 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.029 0.141 18218 9102 1 17 . 1 1 85 85 TYR C C 85 173.709 173.709 178.365 -4.656 18218 9103 1 17 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.921 -3.437 18218 9104 1 17 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.349 -3.411 18218 9105 1 17 . 1 1 85 85 TYR H H 85 8.543 8.543 8.569 -0.026 18218 9106 1 17 . 1 1 86 86 SER N N 86 115.536 115.536 114.175 1.361 18218 9107 1 17 . 1 1 86 86 SER HA H 86 3.802 3.802 4.098 -0.296 18218 9108 1 17 . 1 1 86 86 SER C C 86 174.709 174.709 177.455 -2.746 18218 9109 1 17 . 1 1 86 86 SER CA C 86 58.542 58.542 61.990 -3.448 18218 9110 1 17 . 1 1 86 86 SER CB C 86 59.243 59.243 62.918 -3.675 18218 9111 1 17 . 1 1 86 86 SER H H 86 8.422 8.422 8.093 0.329 18218 9112 1 17 . 1 1 87 87 ASP N N 87 121.132 121.132 122.556 -1.424 18218 9113 1 17 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.407 -0.058 18218 9114 1 17 . 1 1 87 87 ASP C C 87 175.177 175.177 178.053 -2.876 18218 9115 1 17 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.520 -3.751 18218 9116 1 17 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.625 -4.295 18218 9117 1 17 . 1 1 87 87 ASP H H 87 8.295 8.295 8.574 -0.279 18218 9118 1 17 . 1 1 88 88 TYR N N 88 122.430 122.430 117.885 4.545 18218 9119 1 17 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.212 -0.096 18218 9120 1 17 . 1 1 88 88 TYR C C 88 174.772 174.772 176.318 -1.546 18218 9121 1 17 . 1 1 88 88 TYR CA C 88 58.542 58.542 59.530 -0.988 18218 9122 1 17 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.406 -3.278 18218 9123 1 17 . 1 1 88 88 TYR H H 88 7.919 7.919 7.932 -0.013 18218 9124 1 17 . 1 1 89 89 VAL N N 89 118.321 118.321 119.815 -1.494 18218 9125 1 17 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.902 -0.476 18218 9126 1 17 . 1 1 89 89 VAL C C 89 176.101 176.101 176.548 -0.447 18218 9127 1 17 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.051 -0.257 18218 9128 1 17 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.594 -4.743 18218 9129 1 17 . 1 1 89 89 VAL H H 89 8.121 8.121 7.470 0.651 18218 9130 1 17 . 1 1 90 90 LYS N N 90 120.272 120.272 130.740 -10.468 18218 9131 1 17 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.280 -0.271 18218 9132 1 17 . 1 1 90 90 LYS C C 90 176.126 176.126 175.759 0.367 18218 9133 1 17 . 1 1 90 90 LYS CA C 90 55.851 55.851 56.773 -0.922 18218 9134 1 17 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.160 -2.550 18218 9135 1 17 . 1 1 90 90 LYS H H 90 7.708 7.708 8.695 -0.987 18218 9136 1 17 . 1 1 91 91 ARG N N 91 119.904 119.904 121.552 -1.648 18218 9137 1 17 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.398 -0.370 18218 9138 1 17 . 1 1 91 91 ARG C C 91 175.544 175.544 174.593 0.951 18218 9139 1 17 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.396 -1.210 18218 9140 1 17 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.109 -4.840 18218 9141 1 17 . 1 1 91 91 ARG H H 91 7.685 7.685 8.000 -0.315 18218 9142 1 17 . 1 1 92 92 MET N N 92 118.654 118.654 122.919 -4.265 18218 9143 1 17 . 1 1 92 92 MET HA H 92 4.248 4.248 4.668 -0.420 18218 9144 1 17 . 1 1 92 92 MET C C 92 174.810 174.810 173.589 1.221 18218 9145 1 17 . 1 1 92 92 MET CA C 92 53.508 53.508 55.713 -2.205 18218 9146 1 17 . 1 1 92 92 MET CB C 92 26.016 26.016 34.580 -8.563 18218 9147 1 17 . 1 1 92 92 MET H H 92 7.790 7.790 7.960 -0.170 18218 9148 1 17 . 1 1 93 93 ALA N N 93 122.890 122.890 124.823 -1.933 18218 9149 1 17 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.515 -0.304 18218 9150 1 17 . 1 1 93 93 ALA C C 93 175.633 175.633 177.021 -1.388 18218 9151 1 17 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.105 -2.183 18218 9152 1 17 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.562 -4.303 18218 9153 1 17 . 1 1 93 93 ALA H H 93 7.648 7.648 8.539 -0.891 18218 9154 1 17 . 1 1 94 94 GLN N N 94 119.315 119.315 119.714 -0.399 18218 9155 1 17 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.011 0.188 18218 9156 1 17 . 1 1 94 94 GLN C C 94 173.676 173.676 174.793 -1.117 18218 9157 1 17 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.697 -3.333 18218 9158 1 17 . 1 1 94 94 GLN CB C 94 25.890 25.890 27.206 -1.316 18218 9159 1 17 . 1 1 94 94 GLN H H 94 7.887 7.887 8.172 -0.285 18218 9160 1 17 . 1 1 95 95 ASP N N 95 121.546 121.546 121.796 -0.250 18218 9161 1 17 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.288 0.272 18218 9162 1 17 . 1 1 95 95 ASP CA C 95 51.484 51.484 56.885 -5.401 18218 9163 1 17 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.211 -3.489 18218 9164 1 17 . 1 1 95 95 ASP H H 95 8.199 8.199 8.735 -0.536 18218 9165 1 17 . 1 1 96 96 ALA N N 96 125.033 125.033 121.902 3.131 18218 9166 1 17 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.110 0.145 18218 9167 1 17 . 1 1 96 96 ALA C C 96 175.645 175.645 178.383 -2.738 18218 9168 1 17 . 1 1 96 96 ALA CA C 96 49.777 49.777 53.664 -3.887 18218 9169 1 17 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.698 -3.122 18218 9170 1 17 . 1 1 96 96 ALA H H 96 8.062 8.062 8.055 0.007 18218 9171 1 17 . 1 1 97 97 GLY N N 97 108.048 108.048 108.329 -0.281 18218 9172 1 17 . 1 1 97 97 GLY C C 97 171.418 171.418 174.007 -2.589 18218 9173 1 17 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.607 -2.467 18218 9174 1 17 . 1 1 97 97 GLY H H 97 8.196 8.196 8.146 0.050 18218 9175 1 17 . 1 1 98 98 GLU N N 98 121.445 121.445 121.265 0.180 18218 9176 1 17 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.279 -0.014 18218 9177 1 17 . 1 1 98 98 GLU C C 98 172.987 172.987 176.251 -3.264 18218 9178 1 17 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.614 -2.337 18218 9179 1 17 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.646 -4.250 18218 9180 1 17 . 1 1 98 98 GLU H H 98 8.086 8.086 7.987 0.099 18218 9181 1 18 . 1 1 2 2 SER N N 2 116.234 116.234 116.651 -0.417 18218 9182 1 18 . 1 1 2 2 SER HA H 2 4.828 4.828 4.563 0.265 18218 9183 1 18 . 1 1 2 2 SER C C 2 171.696 171.696 174.115 -2.419 18218 9184 1 18 . 1 1 2 2 SER CA C 2 55.273 55.273 58.859 -3.586 18218 9185 1 18 . 1 1 2 2 SER CB C 2 60.624 60.624 64.052 -3.428 18218 9186 1 18 . 1 1 2 2 SER H H 2 7.958 7.958 8.175 -0.217 18218 9187 1 18 . 1 1 3 3 ALA N N 3 125.895 125.895 124.138 1.757 18218 9188 1 18 . 1 1 3 3 ALA C C 3 174.633 174.633 176.062 -1.429 18218 9189 1 18 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.444 -2.725 18218 9190 1 18 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.943 -3.431 18218 9191 1 18 . 1 1 3 3 ALA H H 3 8.273 8.273 8.071 0.202 18218 9192 1 18 . 1 1 4 4 ASN N N 4 118.166 118.166 118.493 -0.327 18218 9193 1 18 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.745 -0.145 18218 9194 1 18 . 1 1 4 4 ASN C C 4 172.089 172.089 173.547 -1.458 18218 9195 1 18 . 1 1 4 4 ASN CA C 4 50.269 50.269 54.046 -3.777 18218 9196 1 18 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.772 -3.201 18218 9197 1 18 . 1 1 4 4 ASN H H 4 8.307 8.307 8.680 -0.373 18218 9198 1 18 . 1 1 5 5 ARG N N 5 121.553 121.553 124.048 -2.495 18218 9199 1 18 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.478 -0.309 18218 9200 1 18 . 1 1 5 5 ARG C C 5 173.013 173.013 174.478 -1.465 18218 9201 1 18 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.959 -4.145 18218 9202 1 18 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.835 -4.617 18218 9203 1 18 . 1 1 5 5 ARG H H 5 8.058 8.058 8.398 -0.340 18218 9204 1 18 . 1 1 6 6 ARG N N 6 122.689 122.689 125.815 -3.126 18218 9205 1 18 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.683 -0.742 18218 9206 1 18 . 1 1 6 6 ARG C C 6 173.392 173.392 174.219 -0.827 18218 9207 1 18 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.268 -4.003 18218 9208 1 18 . 1 1 6 6 ARG CB C 6 26.206 26.206 31.511 -5.305 18218 9209 1 18 . 1 1 6 6 ARG H H 6 8.122 8.122 8.580 -0.458 18218 9210 1 18 . 1 1 7 7 TRP N N 7 120.901 120.901 129.055 -8.154 18218 9211 1 18 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.984 -0.566 18218 9212 1 18 . 1 1 7 7 TRP C C 7 172.557 172.557 174.440 -1.883 18218 9213 1 18 . 1 1 7 7 TRP CA C 7 54.521 54.521 57.523 -3.002 18218 9214 1 18 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.298 -4.219 18218 9215 1 18 . 1 1 7 7 TRP H H 7 7.585 7.585 8.829 -1.244 18218 9216 1 18 . 1 1 8 8 TRP N N 8 118.192 118.192 121.001 -2.809 18218 9217 1 18 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.495 -0.044 18218 9218 1 18 . 1 1 8 8 TRP C C 8 171.456 171.456 173.674 -2.218 18218 9219 1 18 . 1 1 8 8 TRP CA C 8 53.942 53.942 55.914 -1.972 18218 9220 1 18 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.782 -4.272 18218 9221 1 18 . 1 1 8 8 TRP H H 8 6.811 6.811 7.750 -0.939 18218 9222 1 18 . 1 1 9 9 VAL N N 9 122.005 122.005 118.195 3.810 18218 9223 1 18 . 1 1 9 9 VAL HA H 9 4.152 4.152 3.524 0.628 18218 9224 1 18 . 1 1 9 9 VAL C C 9 170.671 170.671 174.011 -3.340 18218 9225 1 18 . 1 1 9 9 VAL CA C 9 56.083 56.083 62.350 -6.268 18218 9226 1 18 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.994 -2.814 18218 9227 1 18 . 1 1 9 9 VAL H H 9 6.949 6.949 8.034 -1.085 18218 9228 1 18 . 1 1 11 11 PRO CA C 11 60.332 60.332 64.182 -3.850 18218 9229 1 18 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.019 -2.636 18218 9230 1 18 . 1 1 12 12 ASP N N 12 119.443 119.443 118.998 0.445 18218 9231 1 18 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.632 -0.108 18218 9232 1 18 . 1 1 12 12 ASP C C 12 174.215 174.215 175.468 -1.253 18218 9233 1 18 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.166 -2.740 18218 9234 1 18 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.220 -3.941 18218 9235 1 18 . 1 1 12 12 ASP H H 12 8.241 8.241 7.815 0.426 18218 9236 1 18 . 1 1 13 13 ASP N N 13 119.369 119.369 118.761 0.608 18218 9237 1 18 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.787 -0.207 18218 9238 1 18 . 1 1 13 13 ASP C C 13 175.379 175.379 176.566 -1.187 18218 9239 1 18 . 1 1 13 13 ASP CA C 13 51.107 51.107 55.157 -4.050 18218 9240 1 18 . 1 1 13 13 ASP CB C 13 37.342 37.342 42.247 -4.905 18218 9241 1 18 . 1 1 13 13 ASP H H 13 7.980 7.980 8.457 -0.477 18218 9242 1 18 . 1 1 14 14 GLU N N 14 121.036 121.036 117.297 3.739 18218 9243 1 18 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.336 -0.176 18218 9244 1 18 . 1 1 14 14 GLU C C 14 173.633 173.633 174.929 -1.296 18218 9245 1 18 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.698 -2.582 18218 9246 1 18 . 1 1 14 14 GLU CB C 14 26.206 26.206 31.466 -5.260 18218 9247 1 18 . 1 1 14 14 GLU H H 14 8.197 8.197 7.834 0.363 18218 9248 1 18 . 1 1 15 15 ASP N N 15 120.130 120.130 119.831 0.299 18218 9249 1 18 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.450 0.192 18218 9250 1 18 . 1 1 15 15 ASP C C 15 173.595 173.595 175.420 -1.825 18218 9251 1 18 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.784 -3.329 18218 9252 1 18 . 1 1 15 15 ASP CB C 15 37.469 37.469 39.608 -2.139 18218 9253 1 18 . 1 1 15 15 ASP H H 15 8.308 8.308 8.658 -0.350 18218 9254 1 18 . 1 1 16 16 CYS N N 16 118.700 118.700 114.911 3.789 18218 9255 1 18 . 1 1 16 16 CYS HA H 16 4.451 4.451 3.973 0.478 18218 9256 1 18 . 1 1 16 16 CYS CA C 16 55.736 55.736 61.871 -6.135 18218 9257 1 18 . 1 1 16 16 CYS CB C 16 24.687 24.687 27.348 -2.660 18218 9258 1 18 . 1 1 16 16 CYS H H 16 7.968 7.968 8.418 -0.450 18218 9259 1 18 . 1 1 17 17 VAL N N 17 123.275 123.275 114.624 8.651 18218 9260 1 18 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.200 -0.472 18218 9261 1 18 . 1 1 17 17 VAL C C 17 174.430 174.430 175.834 -1.404 18218 9262 1 18 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.504 0.000 18218 9263 1 18 . 1 1 17 17 VAL CB C 17 28.231 28.231 33.200 -4.969 18218 9264 1 18 . 1 1 17 17 VAL H H 17 8.550 8.550 8.120 0.430 18218 9265 1 18 . 1 1 18 18 SER N N 18 116.499 116.499 115.357 1.142 18218 9266 1 18 . 1 1 18 18 SER HA H 18 3.822 3.822 4.064 -0.242 18218 9267 1 18 . 1 1 18 18 SER CA C 18 58.484 58.484 58.769 -0.285 18218 9268 1 18 . 1 1 18 18 SER CB C 18 59.109 59.109 63.710 -4.601 18218 9269 1 18 . 1 1 18 18 SER H H 18 8.447 8.447 7.989 0.458 18218 9270 1 18 . 1 1 19 19 GLU N N 19 121.940 121.940 120.585 1.355 18218 9271 1 18 . 1 1 19 19 GLU HA H 19 4.010 4.010 3.994 0.016 18218 9272 1 18 . 1 1 19 19 GLU C C 19 175.544 175.544 178.342 -2.798 18218 9273 1 18 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.612 -3.992 18218 9274 1 18 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.380 -3.933 18218 9275 1 18 . 1 1 19 19 GLU H H 19 7.686 7.686 8.865 -1.179 18218 9276 1 18 . 1 1 20 20 LYS N N 20 119.855 119.855 120.764 -0.909 18218 9277 1 18 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.054 -0.134 18218 9278 1 18 . 1 1 20 20 LYS C C 20 173.696 173.696 178.731 -5.035 18218 9279 1 18 . 1 1 20 20 LYS CA C 20 56.054 56.054 58.989 -2.935 18218 9280 1 18 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.080 -3.153 18218 9281 1 18 . 1 1 20 20 LYS H H 20 7.898 7.898 7.818 0.080 18218 9282 1 18 . 1 1 21 21 LEU N N 21 119.542 119.542 120.603 -1.061 18218 9283 1 18 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.094 -0.053 18218 9284 1 18 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.395 -3.048 18218 9285 1 18 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.276 -2.858 18218 9286 1 18 . 1 1 21 21 LEU H H 21 8.056 8.056 8.020 0.036 18218 9287 1 18 . 1 1 22 22 LEU N N 22 120.384 120.384 119.910 0.474 18218 9288 1 18 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.909 0.141 18218 9289 1 18 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.549 -4.202 18218 9290 1 18 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.912 -4.000 18218 9291 1 18 . 1 1 22 22 LEU H H 22 8.097 8.097 8.564 -0.467 18218 9292 1 18 . 1 1 23 23 ARG N N 23 119.486 119.486 116.875 2.611 18218 9293 1 18 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.065 -0.070 18218 9294 1 18 . 1 1 23 23 ARG C C 23 175.443 175.443 177.945 -2.502 18218 9295 1 18 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.261 -2.439 18218 9296 1 18 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.499 -4.167 18218 9297 1 18 . 1 1 23 23 ARG H H 23 8.032 8.032 8.109 -0.077 18218 9298 1 18 . 1 1 24 24 LYS N N 24 119.009 119.009 117.514 1.495 18218 9299 1 18 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.043 0.097 18218 9300 1 18 . 1 1 24 24 LYS C C 24 175.633 175.633 177.434 -1.801 18218 9301 1 18 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.410 -3.687 18218 9302 1 18 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.625 -4.015 18218 9303 1 18 . 1 1 24 24 LYS H H 24 7.860 7.860 7.984 -0.124 18218 9304 1 18 . 1 1 25 25 THR N N 25 112.776 112.776 113.098 -0.322 18218 9305 1 18 . 1 1 25 25 THR HA H 25 4.005 4.005 4.464 -0.459 18218 9306 1 18 . 1 1 25 25 THR C C 25 172.646 172.646 173.884 -1.238 18218 9307 1 18 . 1 1 25 25 THR CA C 25 61.810 61.810 61.558 0.252 18218 9308 1 18 . 1 1 25 25 THR CB C 25 65.753 65.753 69.397 -3.643 18218 9309 1 18 . 1 1 25 25 THR H H 25 7.867 7.867 7.995 -0.128 18218 9310 1 18 . 1 1 26 26 ARG N N 26 119.996 119.996 127.669 -7.673 18218 9311 1 18 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.429 -0.282 18218 9312 1 18 . 1 1 26 26 ARG C C 26 174.278 174.278 174.619 -0.341 18218 9313 1 18 . 1 1 26 26 ARG CA C 26 54.347 54.347 57.002 -2.655 18218 9314 1 18 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.245 -3.217 18218 9315 1 18 . 1 1 26 26 ARG H H 26 7.765 7.765 8.640 -0.875 18218 9316 1 18 . 1 1 27 27 GLU N N 27 118.067 118.067 119.619 -1.552 18218 9317 1 18 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.343 -0.056 18218 9318 1 18 . 1 1 27 27 GLU C C 27 173.582 173.582 175.773 -2.191 18218 9319 1 18 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.367 -3.003 18218 9320 1 18 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.651 -3.445 18218 9321 1 18 . 1 1 27 27 GLU H H 27 7.764 7.764 8.971 -1.207 18218 9322 1 18 . 1 1 28 28 SER N N 28 115.900 115.900 118.202 -2.302 18218 9323 1 18 . 1 1 28 28 SER HA H 28 4.740 4.740 4.945 -0.205 18218 9324 1 18 . 1 1 28 28 SER C C 28 170.481 170.481 172.949 -2.468 18218 9325 1 18 . 1 1 28 28 SER CA C 28 53.132 53.132 56.197 -3.065 18218 9326 1 18 . 1 1 28 28 SER CB C 28 60.624 60.624 63.700 -3.076 18218 9327 1 18 . 1 1 28 28 SER H H 28 7.630 7.630 8.022 -0.392 18218 9328 1 18 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.655 -0.119 18218 9329 1 18 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.351 -2.060 18218 9330 1 18 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.584 -3.137 18218 9331 1 18 . 1 1 30 30 LEU N N 30 120.365 120.365 117.576 2.789 18218 9332 1 18 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.558 -0.349 18218 9333 1 18 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.794 -4.037 18218 9334 1 18 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.692 -2.768 18218 9335 1 18 . 1 1 30 30 LEU H H 30 8.034 8.034 8.115 -0.081 18218 9336 1 18 . 1 1 31 31 VAL N N 31 117.988 117.988 122.204 -4.216 18218 9337 1 18 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.762 0.471 18218 9338 1 18 . 1 1 31 31 VAL C C 31 171.899 171.899 175.944 -4.045 18218 9339 1 18 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.276 -10.689 18218 9340 1 18 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.040 -0.330 18218 9341 1 18 . 1 1 31 31 VAL H H 31 7.499 7.499 8.589 -1.090 18218 9342 1 18 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.375 0.162 18218 9343 1 18 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.695 -5.599 18218 9344 1 18 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.213 -3.463 18218 9345 1 18 . 1 1 33 33 ILE N N 33 121.507 121.507 118.946 2.561 18218 9346 1 18 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.659 0.260 18218 9347 1 18 . 1 1 33 33 ILE C C 33 173.025 173.025 178.574 -5.549 18218 9348 1 18 . 1 1 33 33 ILE CA C 33 59.872 59.872 63.766 -3.894 18218 9349 1 18 . 1 1 33 33 ILE CB C 33 34.495 34.495 36.836 -2.341 18218 9350 1 18 . 1 1 33 33 ILE H H 33 7.982 7.982 7.727 0.255 18218 9351 1 18 . 1 1 34 34 GLY N N 34 111.381 111.381 107.382 3.999 18218 9352 1 18 . 1 1 34 34 GLY C C 34 172.987 172.987 175.942 -2.955 18218 9353 1 18 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.739 -3.731 18218 9354 1 18 . 1 1 34 34 GLY H H 34 8.540 8.540 8.803 -0.263 18218 9355 1 18 . 1 1 35 35 LEU N N 35 122.626 122.626 123.980 -1.354 18218 9356 1 18 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.946 0.303 18218 9357 1 18 . 1 1 35 35 LEU C C 35 175.637 175.637 178.966 -3.329 18218 9358 1 18 . 1 1 35 35 LEU CA C 35 54.232 54.232 58.356 -4.124 18218 9359 1 18 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.818 -3.210 18218 9360 1 18 . 1 1 35 35 LEU H H 35 7.964 7.964 7.900 0.064 18218 9361 1 18 . 1 1 36 36 GLY N N 36 106.708 106.708 105.639 1.069 18218 9362 1 18 . 1 1 36 36 GLY C C 36 172.647 172.647 176.016 -3.369 18218 9363 1 18 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.176 -2.751 18218 9364 1 18 . 1 1 36 36 GLY H H 36 8.521 8.521 8.607 -0.086 18218 9365 1 18 . 1 1 37 37 GLY N N 37 108.586 108.586 109.404 -0.818 18218 9366 1 18 . 1 1 37 37 GLY C C 37 173.291 173.291 176.005 -2.714 18218 9367 1 18 . 1 1 37 37 GLY CA C 37 44.136 44.136 47.046 -2.910 18218 9368 1 18 . 1 1 37 37 GLY H H 37 8.270 8.270 8.251 0.019 18218 9369 1 18 . 1 1 38 38 CYS N N 38 119.678 119.678 120.653 -0.975 18218 9370 1 18 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.235 0.009 18218 9371 1 18 . 1 1 38 38 CYS C C 38 174.215 174.215 176.492 -2.277 18218 9372 1 18 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.357 -3.121 18218 9373 1 18 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.840 -4.481 18218 9374 1 18 . 1 1 38 38 CYS H H 38 7.836 7.836 8.096 -0.260 18218 9375 1 18 . 1 1 39 39 LEU N N 39 120.798 120.798 121.619 -0.821 18218 9376 1 18 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.925 0.188 18218 9377 1 18 . 1 1 39 39 LEU C C 39 175.506 175.506 179.505 -3.999 18218 9378 1 18 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.262 -3.394 18218 9379 1 18 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.196 -3.347 18218 9380 1 18 . 1 1 39 39 LEU H H 39 7.999 7.999 8.168 -0.169 18218 9381 1 18 . 1 1 40 40 VAL N N 40 118.510 118.510 118.376 0.134 18218 9382 1 18 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.714 -0.118 18218 9383 1 18 . 1 1 40 40 VAL C C 40 174.544 174.544 178.127 -3.583 18218 9384 1 18 . 1 1 40 40 VAL CA C 40 63.719 63.719 65.819 -2.100 18218 9385 1 18 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.894 -2.980 18218 9386 1 18 . 1 1 40 40 VAL H H 40 7.803 7.803 8.128 -0.325 18218 9387 1 18 . 1 1 41 41 VAL N N 41 119.131 119.131 120.902 -1.771 18218 9388 1 18 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.521 0.171 18218 9389 1 18 . 1 1 41 41 VAL C C 41 175.924 175.924 177.899 -1.975 18218 9390 1 18 . 1 1 41 41 VAL CA C 41 63.459 63.459 67.946 -4.487 18218 9391 1 18 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.451 -3.410 18218 9392 1 18 . 1 1 41 41 VAL H H 41 7.624 7.624 7.901 -0.277 18218 9393 1 18 . 1 1 42 42 ALA N N 42 122.172 122.172 120.919 1.253 18218 9394 1 18 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.880 0.225 18218 9395 1 18 . 1 1 42 42 ALA C C 42 176.582 176.582 179.290 -2.708 18218 9396 1 18 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.346 -3.081 18218 9397 1 18 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.762 -2.882 18218 9398 1 18 . 1 1 42 42 ALA H H 42 8.008 8.008 8.220 -0.212 18218 9399 1 18 . 1 1 43 43 ALA N N 43 119.990 119.990 121.832 -1.842 18218 9400 1 18 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.030 -0.039 18218 9401 1 18 . 1 1 43 43 ALA C C 43 176.455 176.455 179.357 -2.902 18218 9402 1 18 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.038 -2.745 18218 9403 1 18 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.090 -3.210 18218 9404 1 18 . 1 1 43 43 ALA H H 43 8.400 8.400 7.827 0.573 18218 9405 1 18 . 1 1 44 44 TYR N N 44 118.221 118.221 120.177 -1.956 18218 9406 1 18 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.185 0.034 18218 9407 1 18 . 1 1 44 44 TYR C C 44 175.177 175.177 177.780 -2.603 18218 9408 1 18 . 1 1 44 44 TYR CA C 44 58.281 58.281 60.561 -2.280 18218 9409 1 18 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.503 -3.881 18218 9410 1 18 . 1 1 44 44 TYR H H 44 8.345 8.345 8.495 -0.150 18218 9411 1 18 . 1 1 45 45 ARG N N 45 119.104 119.104 120.650 -1.546 18218 9412 1 18 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.815 0.018 18218 9413 1 18 . 1 1 45 45 ARG C C 45 176.531 176.531 178.442 -1.911 18218 9414 1 18 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.561 -3.131 18218 9415 1 18 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.725 -3.519 18218 9416 1 18 . 1 1 45 45 ARG H H 45 8.275 8.275 8.283 -0.008 18218 9417 1 18 . 1 1 46 46 ILE N N 46 119.719 119.719 119.809 -0.090 18218 9418 1 18 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.579 0.122 18218 9419 1 18 . 1 1 46 46 ILE C C 46 174.873 174.873 177.558 -2.685 18218 9420 1 18 . 1 1 46 46 ILE CA C 46 61.434 61.434 66.061 -4.627 18218 9421 1 18 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.832 -3.970 18218 9422 1 18 . 1 1 46 46 ILE H H 46 8.119 8.119 8.377 -0.258 18218 9423 1 18 . 1 1 47 47 TYR N N 47 121.419 121.419 120.120 1.299 18218 9424 1 18 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.918 0.064 18218 9425 1 18 . 1 1 47 47 TYR C C 47 175.544 175.544 176.823 -1.279 18218 9426 1 18 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.673 -3.074 18218 9427 1 18 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.323 -3.448 18218 9428 1 18 . 1 1 47 47 TYR H H 47 8.383 8.383 8.067 0.316 18218 9429 1 18 . 1 1 48 48 ARG N N 48 118.278 118.278 117.855 0.423 18218 9430 1 18 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.692 -0.000 18218 9431 1 18 . 1 1 48 48 ARG C C 48 175.671 175.671 178.095 -2.424 18218 9432 1 18 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.232 -3.277 18218 9433 1 18 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.017 -4.064 18218 9434 1 18 . 1 1 48 48 ARG H H 48 8.074 8.074 7.764 0.310 18218 9435 1 18 . 1 1 49 49 LEU N N 49 120.350 120.350 118.751 1.599 18218 9436 1 18 . 1 1 49 49 LEU HA H 49 4.148 4.148 3.966 0.182 18218 9437 1 18 . 1 1 49 49 LEU C C 49 175.772 175.772 177.941 -2.169 18218 9438 1 18 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.095 -3.587 18218 9439 1 18 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.288 -3.807 18218 9440 1 18 . 1 1 49 49 LEU H H 49 7.744 7.744 8.018 -0.274 18218 9441 1 18 . 1 1 50 50 ARG N N 50 117.990 117.990 118.636 -0.646 18218 9442 1 18 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.244 -0.090 18218 9443 1 18 . 1 1 50 50 ARG C C 50 174.139 174.139 174.829 -0.690 18218 9444 1 18 . 1 1 50 50 ARG CA C 50 54.058 54.058 55.870 -1.812 18218 9445 1 18 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.113 -3.907 18218 9446 1 18 . 1 1 50 50 ARG H H 50 7.686 7.686 7.961 -0.275 18218 9447 1 18 . 1 1 51 51 SER N N 51 115.124 115.124 117.124 -2.000 18218 9448 1 18 . 1 1 51 51 SER HA H 51 4.274 4.274 4.419 -0.145 18218 9449 1 18 . 1 1 51 51 SER C C 51 172.392 172.392 173.938 -1.546 18218 9450 1 18 . 1 1 51 51 SER CA C 51 56.112 56.112 57.728 -1.616 18218 9451 1 18 . 1 1 51 51 SER CB C 51 60.075 60.075 64.778 -4.703 18218 9452 1 18 . 1 1 51 51 SER H H 51 7.873 7.873 8.385 -0.512 18218 9453 1 18 . 1 1 52 52 ARG N N 52 122.132 122.132 123.490 -1.358 18218 9454 1 18 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.547 -0.271 18218 9455 1 18 . 1 1 52 52 ARG C C 52 174.316 174.316 175.924 -1.608 18218 9456 1 18 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.127 -2.705 18218 9457 1 18 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.360 -5.028 18218 9458 1 18 . 1 1 52 52 ARG H H 52 7.923 7.923 8.606 -0.683 18218 9459 1 18 . 1 1 53 53 GLY N N 53 108.907 108.907 107.692 1.215 18218 9460 1 18 . 1 1 53 53 GLY C C 53 171.405 171.405 173.161 -1.756 18218 9461 1 18 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.712 -2.253 18218 9462 1 18 . 1 1 53 53 GLY H H 53 8.142 8.142 7.957 0.185 18218 9463 1 18 . 1 1 54 54 SER N N 54 115.609 115.609 114.777 0.832 18218 9464 1 18 . 1 1 54 54 SER HA H 54 4.470 4.470 4.733 -0.263 18218 9465 1 18 . 1 1 54 54 SER C C 54 172.367 172.367 174.493 -2.126 18218 9466 1 18 . 1 1 54 54 SER CA C 54 55.504 55.504 58.184 -2.680 18218 9467 1 18 . 1 1 54 54 SER CB C 54 60.537 60.537 65.486 -4.949 18218 9468 1 18 . 1 1 54 54 SER H H 54 8.042 8.042 8.236 -0.194 18218 9469 1 18 . 1 1 55 55 THR N N 55 117.148 117.148 114.985 2.163 18218 9470 1 18 . 1 1 55 55 THR HA H 55 4.244 4.244 4.372 -0.128 18218 9471 1 18 . 1 1 55 55 THR C C 55 171.785 171.785 174.595 -2.810 18218 9472 1 18 . 1 1 55 55 THR CA C 55 59.612 59.612 62.834 -3.222 18218 9473 1 18 . 1 1 55 55 THR CB C 55 66.322 66.322 69.734 -3.412 18218 9474 1 18 . 1 1 55 55 THR H H 55 8.123 8.123 8.797 -0.674 18218 9475 1 18 . 1 1 56 56 LYS N N 56 123.462 123.462 120.298 3.164 18218 9476 1 18 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.356 -0.112 18218 9477 1 18 . 1 1 56 56 LYS C C 56 173.848 173.848 175.245 -1.397 18218 9478 1 18 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.693 -3.127 18218 9479 1 18 . 1 1 56 56 LYS CB C 56 29.117 29.117 33.507 -4.390 18218 9480 1 18 . 1 1 56 56 LYS H H 56 8.184 8.184 7.997 0.187 18218 9481 1 18 . 1 1 57 57 MET N N 57 121.145 121.145 123.585 -2.440 18218 9482 1 18 . 1 1 57 57 MET HA H 57 4.425 4.425 4.201 0.224 18218 9483 1 18 . 1 1 57 57 MET C C 57 172.835 172.835 174.603 -1.768 18218 9484 1 18 . 1 1 57 57 MET CA C 57 52.930 52.930 57.270 -4.340 18218 9485 1 18 . 1 1 57 57 MET CB C 57 29.876 29.876 31.159 -1.283 18218 9486 1 18 . 1 1 57 57 MET H H 57 8.153 8.153 9.081 -0.928 18218 9487 1 18 . 1 1 58 58 SER N N 58 116.811 116.811 112.604 4.207 18218 9488 1 18 . 1 1 58 58 SER HA H 58 4.470 4.470 4.135 0.335 18218 9489 1 18 . 1 1 58 58 SER C C 58 171.620 171.620 174.181 -2.561 18218 9490 1 18 . 1 1 58 58 SER CA C 58 55.041 55.041 59.828 -4.787 18218 9491 1 18 . 1 1 58 58 SER CB C 58 60.653 60.653 62.856 -2.203 18218 9492 1 18 . 1 1 58 58 SER H H 58 7.895 7.895 8.179 -0.284 18218 9493 1 18 . 1 1 59 59 ILE N N 59 122.346 122.346 120.353 1.993 18218 9494 1 18 . 1 1 59 59 ILE HA H 59 3.990 3.990 3.999 -0.009 18218 9495 1 18 . 1 1 59 59 ILE C C 59 173.127 173.127 175.200 -2.073 18218 9496 1 18 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.983 -4.441 18218 9497 1 18 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.074 -3.136 18218 9498 1 18 . 1 1 59 59 ILE H H 59 8.110 8.110 8.712 -0.602 18218 9499 1 18 . 1 1 60 60 HIS N N 60 121.006 121.006 117.698 3.308 18218 9500 1 18 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.483 -0.469 18218 9501 1 18 . 1 1 60 60 HIS C C 60 172.443 172.443 175.098 -2.655 18218 9502 1 18 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.010 -2.646 18218 9503 1 18 . 1 1 60 60 HIS CB C 60 25.510 25.510 29.584 -4.074 18218 9504 1 18 . 1 1 60 60 HIS H H 60 8.235 8.235 8.518 -0.283 18218 9505 1 18 . 1 1 61 61 LEU N N 61 120.472 120.472 122.887 -2.415 18218 9506 1 18 . 1 1 61 61 LEU HA H 61 4.189 4.189 3.791 0.398 18218 9507 1 18 . 1 1 61 61 LEU CA C 61 53.190 53.190 56.722 -3.532 18218 9508 1 18 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.161 -3.297 18218 9509 1 18 . 1 1 61 61 LEU H H 61 8.045 8.045 7.113 0.932 18218 9510 1 18 . 1 1 62 62 ILE N N 62 117.281 117.281 114.950 2.331 18218 9511 1 18 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.251 -0.354 18218 9512 1 18 . 1 1 62 62 ILE CA C 62 59.149 59.149 59.408 -0.259 18218 9513 1 18 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.503 -4.071 18218 9514 1 18 . 1 1 62 62 ILE H H 62 7.555 7.555 7.527 0.028 18218 9515 1 18 . 1 1 63 63 HIS N N 63 119.488 119.488 123.081 -3.593 18218 9516 1 18 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.754 -0.117 18218 9517 1 18 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.635 -3.197 18218 9518 1 18 . 1 1 63 63 HIS CB C 63 25.130 25.130 28.929 -3.799 18218 9519 1 18 . 1 1 63 63 HIS H H 63 8.179 8.179 8.748 -0.569 18218 9520 1 18 . 1 1 64 64 THR N N 64 112.132 112.132 112.196 -0.064 18218 9521 1 18 . 1 1 64 64 THR HA H 64 4.296 4.296 4.634 -0.338 18218 9522 1 18 . 1 1 64 64 THR C C 64 175.063 175.063 174.509 0.554 18218 9523 1 18 . 1 1 64 64 THR CA C 64 58.802 58.802 60.562 -1.760 18218 9524 1 18 . 1 1 64 64 THR CB C 64 67.588 67.588 70.305 -2.717 18218 9525 1 18 . 1 1 64 64 THR H H 64 7.576 7.576 7.745 -0.169 18218 9526 1 18 . 1 1 65 65 ARG N N 65 123.493 123.493 122.560 0.933 18218 9527 1 18 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.544 -0.248 18218 9528 1 18 . 1 1 65 65 ARG C C 65 175.633 175.633 176.722 -1.089 18218 9529 1 18 . 1 1 65 65 ARG CA C 65 55.331 55.331 55.367 -0.036 18218 9530 1 18 . 1 1 65 65 ARG CB C 65 26.143 26.143 29.242 -3.099 18218 9531 1 18 . 1 1 65 65 ARG H H 65 8.713 8.713 8.761 -0.048 18218 9532 1 18 . 1 1 66 66 VAL N N 66 117.974 117.974 122.310 -4.336 18218 9533 1 18 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.593 0.404 18218 9534 1 18 . 1 1 66 66 VAL C C 66 174.215 174.215 177.125 -2.910 18218 9535 1 18 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.873 -5.179 18218 9536 1 18 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.718 -3.677 18218 9537 1 18 . 1 1 66 66 VAL H H 66 7.987 7.987 7.761 0.226 18218 9538 1 18 . 1 1 67 67 ALA N N 67 123.016 123.016 121.598 1.418 18218 9539 1 18 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.992 0.008 18218 9540 1 18 . 1 1 67 67 ALA C C 67 175.367 175.367 179.174 -3.807 18218 9541 1 18 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.208 -3.088 18218 9542 1 18 . 1 1 67 67 ALA CB C 67 14.753 14.753 18.118 -3.365 18218 9543 1 18 . 1 1 67 67 ALA H H 67 7.645 7.645 8.608 -0.963 18218 9544 1 18 . 1 1 68 68 ALA N N 68 120.682 120.682 120.799 -0.117 18218 9545 1 18 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.897 0.282 18218 9546 1 18 . 1 1 68 68 ALA C C 68 178.354 178.354 179.873 -1.519 18218 9547 1 18 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.088 -2.939 18218 9548 1 18 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.998 -3.245 18218 9549 1 18 . 1 1 68 68 ALA H H 68 7.931 7.931 7.989 -0.058 18218 9550 1 18 . 1 1 69 69 GLN N N 69 119.129 119.129 119.056 0.073 18218 9551 1 18 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.845 0.431 18218 9552 1 18 . 1 1 69 69 GLN C C 69 175.430 175.430 178.561 -3.131 18218 9553 1 18 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.708 -3.435 18218 9554 1 18 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.639 -3.509 18218 9555 1 18 . 1 1 69 69 GLN H H 69 8.213 8.213 8.207 0.006 18218 9556 1 18 . 1 1 70 70 ALA N N 70 122.065 122.065 121.368 0.697 18218 9557 1 18 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.703 0.297 18218 9558 1 18 . 1 1 70 70 ALA C C 70 176.734 176.734 178.915 -2.181 18218 9559 1 18 . 1 1 70 70 ALA CA C 70 52.149 52.149 55.123 -2.974 18218 9560 1 18 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.565 -2.812 18218 9561 1 18 . 1 1 70 70 ALA H H 70 8.397 8.397 8.050 0.347 18218 9562 1 18 . 1 1 71 71 CYS N N 71 115.893 115.893 116.970 -1.077 18218 9563 1 18 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.154 -0.101 18218 9564 1 18 . 1 1 71 71 CYS C C 71 173.696 173.696 176.907 -3.211 18218 9565 1 18 . 1 1 71 71 CYS CA C 71 60.451 60.451 62.414 -1.963 18218 9566 1 18 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.607 -3.122 18218 9567 1 18 . 1 1 71 71 CYS H H 71 8.169 8.169 7.915 0.254 18218 9568 1 18 . 1 1 72 72 ALA N N 72 122.868 122.868 123.424 -0.556 18218 9569 1 18 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.025 0.235 18218 9570 1 18 . 1 1 72 72 ALA C C 72 177.886 177.886 179.642 -1.756 18218 9571 1 18 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.610 -3.577 18218 9572 1 18 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.954 -3.201 18218 9573 1 18 . 1 1 72 72 ALA H H 72 7.742 7.742 8.389 -0.647 18218 9574 1 18 . 1 1 73 73 VAL N N 73 118.066 118.066 118.787 -0.721 18218 9575 1 18 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.545 0.231 18218 9576 1 18 . 1 1 73 73 VAL C C 73 175.696 175.696 178.519 -2.823 18218 9577 1 18 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.252 -3.603 18218 9578 1 18 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.593 -2.489 18218 9579 1 18 . 1 1 73 73 VAL H H 73 8.050 8.050 8.131 -0.081 18218 9580 1 18 . 1 1 74 74 GLY N N 74 109.146 109.146 107.585 1.561 18218 9581 1 18 . 1 1 74 74 GLY C C 74 171.962 171.962 175.915 -3.953 18218 9582 1 18 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.488 -2.918 18218 9583 1 18 . 1 1 74 74 GLY H H 74 8.648 8.648 7.948 0.700 18218 9584 1 18 . 1 1 75 75 ALA N N 75 123.035 123.035 124.645 -1.610 18218 9585 1 18 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.046 0.043 18218 9586 1 18 . 1 1 75 75 ALA C C 75 178.253 178.253 179.548 -1.295 18218 9587 1 18 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.841 -2.403 18218 9588 1 18 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.301 -3.611 18218 9589 1 18 . 1 1 75 75 ALA H H 75 8.213 8.213 8.168 0.045 18218 9590 1 18 . 1 1 76 76 ILE N N 76 120.121 120.121 120.381 -0.260 18218 9591 1 18 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.505 0.324 18218 9592 1 18 . 1 1 76 76 ILE C C 76 176.506 176.506 178.033 -1.527 18218 9593 1 18 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.933 -4.615 18218 9594 1 18 . 1 1 76 76 ILE CB C 76 34.368 34.368 38.040 -3.672 18218 9595 1 18 . 1 1 76 76 ILE H H 76 7.523 7.523 8.240 -0.717 18218 9596 1 18 . 1 1 77 77 MET N N 77 120.468 120.468 118.012 2.456 18218 9597 1 18 . 1 1 77 77 MET HA H 77 4.116 4.116 4.069 0.047 18218 9598 1 18 . 1 1 77 77 MET C C 77 175.038 175.038 178.535 -3.497 18218 9599 1 18 . 1 1 77 77 MET CA C 77 56.314 56.314 58.853 -2.539 18218 9600 1 18 . 1 1 77 77 MET CB C 77 34.242 34.242 32.127 2.115 18218 9601 1 18 . 1 1 77 77 MET H H 77 8.239 8.239 8.407 -0.168 18218 9602 1 18 . 1 1 78 78 LEU N N 78 119.389 119.389 121.733 -2.344 18218 9603 1 18 . 1 1 78 78 LEU HA H 78 3.964 3.964 4.066 -0.102 18218 9604 1 18 . 1 1 78 78 LEU C C 78 176.202 176.202 179.087 -2.885 18218 9605 1 18 . 1 1 78 78 LEU CA C 78 54.868 54.868 57.952 -3.084 18218 9606 1 18 . 1 1 78 78 LEU CB C 78 37.785 37.785 40.843 -3.058 18218 9607 1 18 . 1 1 78 78 LEU H H 78 8.571 8.571 8.365 0.206 18218 9608 1 18 . 1 1 79 79 GLY N N 79 105.857 105.857 106.837 -0.980 18218 9609 1 18 . 1 1 79 79 GLY C C 79 173.861 173.861 175.753 -1.892 18218 9610 1 18 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.117 -2.865 18218 9611 1 18 . 1 1 79 79 GLY H H 79 8.006 8.006 8.714 -0.708 18218 9612 1 18 . 1 1 80 80 ALA N N 80 125.631 125.631 125.008 0.623 18218 9613 1 18 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.069 0.226 18218 9614 1 18 . 1 1 80 80 ALA C C 80 177.544 177.544 179.831 -2.287 18218 9615 1 18 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.261 -3.257 18218 9616 1 18 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.216 -3.526 18218 9617 1 18 . 1 1 80 80 ALA H H 80 7.971 7.971 8.373 -0.402 18218 9618 1 18 . 1 1 81 81 VAL N N 81 118.858 118.858 119.304 -0.446 18218 9619 1 18 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.603 0.137 18218 9620 1 18 . 1 1 81 81 VAL C C 81 174.974 174.974 177.998 -3.024 18218 9621 1 18 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.319 -3.005 18218 9622 1 18 . 1 1 81 81 VAL CB C 81 27.788 27.788 30.797 -3.009 18218 9623 1 18 . 1 1 81 81 VAL H H 81 8.206 8.206 8.027 0.179 18218 9624 1 18 . 1 1 82 82 TYR N N 82 121.151 121.151 120.419 0.732 18218 9625 1 18 . 1 1 82 82 TYR HA H 82 4.277 4.277 3.986 0.291 18218 9626 1 18 . 1 1 82 82 TYR C C 82 176.038 176.038 177.766 -1.728 18218 9627 1 18 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.998 -3.196 18218 9628 1 18 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.974 -3.542 18218 9629 1 18 . 1 1 82 82 TYR H H 82 8.614 8.614 8.754 -0.140 18218 9630 1 18 . 1 1 83 83 THR N N 83 118.253 118.253 114.554 3.699 18218 9631 1 18 . 1 1 83 83 THR HA H 83 4.340 4.340 3.878 0.462 18218 9632 1 18 . 1 1 83 83 THR CA C 83 63.980 63.980 66.794 -2.814 18218 9633 1 18 . 1 1 83 83 THR CB C 83 65.437 65.437 68.329 -2.892 18218 9634 1 18 . 1 1 83 83 THR H H 83 8.361 8.361 8.852 -0.491 18218 9635 1 18 . 1 1 84 84 MET N N 84 121.616 121.616 120.946 0.670 18218 9636 1 18 . 1 1 84 84 MET C C 84 175.949 175.949 178.057 -2.108 18218 9637 1 18 . 1 1 84 84 MET CA C 84 56.603 56.603 59.694 -3.091 18218 9638 1 18 . 1 1 84 84 MET CB C 84 29.180 29.180 32.166 -2.986 18218 9639 1 18 . 1 1 84 84 MET H H 84 8.053 8.053 8.065 -0.012 18218 9640 1 18 . 1 1 85 85 TYR N N 85 120.690 120.690 119.545 1.145 18218 9641 1 18 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.848 0.322 18218 9642 1 18 . 1 1 85 85 TYR C C 85 173.709 173.709 178.593 -4.884 18218 9643 1 18 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.747 -3.263 18218 9644 1 18 . 1 1 85 85 TYR CB C 85 34.938 34.938 37.864 -2.926 18218 9645 1 18 . 1 1 85 85 TYR H H 85 8.543 8.543 8.598 -0.055 18218 9646 1 18 . 1 1 86 86 SER N N 86 115.536 115.536 112.935 2.601 18218 9647 1 18 . 1 1 86 86 SER HA H 86 3.802 3.802 4.090 -0.288 18218 9648 1 18 . 1 1 86 86 SER C C 86 174.709 174.709 176.729 -2.020 18218 9649 1 18 . 1 1 86 86 SER CA C 86 58.542 58.542 61.423 -2.881 18218 9650 1 18 . 1 1 86 86 SER CB C 86 59.243 59.243 62.609 -3.366 18218 9651 1 18 . 1 1 86 86 SER H H 86 8.422 8.422 8.212 0.210 18218 9652 1 18 . 1 1 87 87 ASP N N 87 121.132 121.132 122.863 -1.731 18218 9653 1 18 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.266 0.083 18218 9654 1 18 . 1 1 87 87 ASP C C 87 175.177 175.177 177.793 -2.616 18218 9655 1 18 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.994 -3.225 18218 9656 1 18 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.654 -4.324 18218 9657 1 18 . 1 1 87 87 ASP H H 87 8.295 8.295 8.041 0.254 18218 9658 1 18 . 1 1 88 88 TYR N N 88 122.430 122.430 119.228 3.202 18218 9659 1 18 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.062 0.054 18218 9660 1 18 . 1 1 88 88 TYR C C 88 174.772 174.772 177.058 -2.286 18218 9661 1 18 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.621 -2.079 18218 9662 1 18 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.578 -3.450 18218 9663 1 18 . 1 1 88 88 TYR H H 88 7.919 7.919 8.161 -0.242 18218 9664 1 18 . 1 1 89 89 VAL N N 89 118.321 118.321 118.865 -0.544 18218 9665 1 18 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.569 -0.143 18218 9666 1 18 . 1 1 89 89 VAL C C 89 176.101 176.101 176.416 -0.315 18218 9667 1 18 . 1 1 89 89 VAL CA C 89 62.794 62.794 64.260 -1.466 18218 9668 1 18 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.120 -4.269 18218 9669 1 18 . 1 1 89 89 VAL H H 89 8.121 8.121 7.962 0.159 18218 9670 1 18 . 1 1 90 90 LYS N N 90 120.272 120.272 124.738 -4.466 18218 9671 1 18 . 1 1 90 90 LYS HA H 90 4.009 4.009 3.842 0.167 18218 9672 1 18 . 1 1 90 90 LYS C C 90 176.126 176.126 176.339 -0.213 18218 9673 1 18 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.924 -3.073 18218 9674 1 18 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.997 -3.387 18218 9675 1 18 . 1 1 90 90 LYS H H 90 7.708 7.708 8.736 -1.028 18218 9676 1 18 . 1 1 91 91 ARG N N 91 119.904 119.904 117.189 2.715 18218 9677 1 18 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.172 -0.144 18218 9678 1 18 . 1 1 91 91 ARG C C 91 175.544 175.544 174.157 1.387 18218 9679 1 18 . 1 1 91 91 ARG CA C 91 55.186 55.186 55.958 -0.772 18218 9680 1 18 . 1 1 91 91 ARG CB C 91 26.269 26.269 31.637 -5.369 18218 9681 1 18 . 1 1 91 91 ARG H H 91 7.685 7.685 8.628 -0.943 18218 9682 1 18 . 1 1 92 92 MET N N 92 118.654 118.654 117.724 0.930 18218 9683 1 18 . 1 1 92 92 MET HA H 92 4.248 4.248 4.320 -0.072 18218 9684 1 18 . 1 1 92 92 MET C C 92 174.810 174.810 174.559 0.251 18218 9685 1 18 . 1 1 92 92 MET CA C 92 53.508 53.508 56.484 -2.976 18218 9686 1 18 . 1 1 92 92 MET CB C 92 26.016 26.016 32.089 -6.073 18218 9687 1 18 . 1 1 92 92 MET H H 92 7.790 7.790 8.110 -0.320 18218 9688 1 18 . 1 1 93 93 ALA N N 93 122.890 122.890 127.947 -5.057 18218 9689 1 18 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.408 -0.197 18218 9690 1 18 . 1 1 93 93 ALA C C 93 175.633 175.633 175.982 -0.349 18218 9691 1 18 . 1 1 93 93 ALA CA C 93 49.922 49.922 53.230 -3.308 18218 9692 1 18 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.910 -4.651 18218 9693 1 18 . 1 1 93 93 ALA H H 93 7.648 7.648 8.694 -1.046 18218 9694 1 18 . 1 1 94 94 GLN N N 94 119.315 119.315 118.067 1.248 18218 9695 1 18 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.445 -0.246 18218 9696 1 18 . 1 1 94 94 GLN C C 94 173.676 173.676 174.327 -0.651 18218 9697 1 18 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.515 -2.151 18218 9698 1 18 . 1 1 94 94 GLN CB C 94 25.890 25.890 29.491 -3.601 18218 9699 1 18 . 1 1 94 94 GLN H H 94 7.887 7.887 8.004 -0.117 18218 9700 1 18 . 1 1 95 95 ASP N N 95 121.546 121.546 119.507 2.039 18218 9701 1 18 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.598 -0.038 18218 9702 1 18 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.076 -2.592 18218 9703 1 18 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.657 -2.934 18218 9704 1 18 . 1 1 95 95 ASP H H 95 8.199 8.199 8.417 -0.218 18218 9705 1 18 . 1 1 96 96 ALA N N 96 125.033 125.033 124.580 0.453 18218 9706 1 18 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.301 -0.046 18218 9707 1 18 . 1 1 96 96 ALA C C 96 175.645 175.645 178.442 -2.797 18218 9708 1 18 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.758 -2.981 18218 9709 1 18 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.175 -3.599 18218 9710 1 18 . 1 1 96 96 ALA H H 96 8.062 8.062 7.732 0.330 18218 9711 1 18 . 1 1 97 97 GLY N N 97 108.048 108.048 109.408 -1.360 18218 9712 1 18 . 1 1 97 97 GLY C C 97 171.418 171.418 174.182 -2.764 18218 9713 1 18 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.539 -2.399 18218 9714 1 18 . 1 1 97 97 GLY H H 97 8.196 8.196 8.348 -0.152 18218 9715 1 18 . 1 1 98 98 GLU N N 98 121.445 121.445 119.681 1.764 18218 9716 1 18 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.145 0.120 18218 9717 1 18 . 1 1 98 98 GLU C C 98 172.987 172.987 175.423 -2.436 18218 9718 1 18 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.841 -3.564 18218 9719 1 18 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.159 -2.763 18218 9720 1 18 . 1 1 98 98 GLU H H 98 8.086 8.086 8.417 -0.331 18218 9721 1 19 . 1 1 2 2 SER N N 2 116.234 116.234 116.574 -0.340 18218 9722 1 19 . 1 1 2 2 SER HA H 2 4.828 4.828 4.865 -0.037 18218 9723 1 19 . 1 1 2 2 SER C C 2 171.696 171.696 173.691 -1.995 18218 9724 1 19 . 1 1 2 2 SER CA C 2 55.273 55.273 58.207 -2.934 18218 9725 1 19 . 1 1 2 2 SER CB C 2 60.624 60.624 64.557 -3.933 18218 9726 1 19 . 1 1 2 2 SER H H 2 7.958 7.958 8.117 -0.159 18218 9727 1 19 . 1 1 3 3 ALA N N 3 125.895 125.895 123.239 2.656 18218 9728 1 19 . 1 1 3 3 ALA C C 3 174.633 174.633 175.942 -1.309 18218 9729 1 19 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.284 -2.565 18218 9730 1 19 . 1 1 3 3 ALA CB C 3 15.512 15.512 18.974 -3.462 18218 9731 1 19 . 1 1 3 3 ALA H H 3 8.273 8.273 8.287 -0.014 18218 9732 1 19 . 1 1 4 4 ASN N N 4 118.166 118.166 119.780 -1.614 18218 9733 1 19 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.924 -0.324 18218 9734 1 19 . 1 1 4 4 ASN C C 4 172.089 172.089 174.675 -2.586 18218 9735 1 19 . 1 1 4 4 ASN CA C 4 50.269 50.269 52.834 -2.565 18218 9736 1 19 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.751 -3.180 18218 9737 1 19 . 1 1 4 4 ASN H H 4 8.307 8.307 8.438 -0.131 18218 9738 1 19 . 1 1 5 5 ARG N N 5 121.553 121.553 125.240 -3.687 18218 9739 1 19 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.714 -0.545 18218 9740 1 19 . 1 1 5 5 ARG C C 5 173.013 173.013 175.724 -2.711 18218 9741 1 19 . 1 1 5 5 ARG CA C 5 52.814 52.814 55.474 -2.660 18218 9742 1 19 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.335 -4.117 18218 9743 1 19 . 1 1 5 5 ARG H H 5 8.058 8.058 8.564 -0.506 18218 9744 1 19 . 1 1 6 6 ARG N N 6 122.689 122.689 119.115 3.574 18218 9745 1 19 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.157 -0.216 18218 9746 1 19 . 1 1 6 6 ARG C C 6 173.392 173.392 174.993 -1.601 18218 9747 1 19 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.844 -4.579 18218 9748 1 19 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.371 -4.165 18218 9749 1 19 . 1 1 6 6 ARG H H 6 8.122 8.122 8.650 -0.528 18218 9750 1 19 . 1 1 7 7 TRP N N 7 120.901 120.901 122.596 -1.695 18218 9751 1 19 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.911 -0.493 18218 9752 1 19 . 1 1 7 7 TRP C C 7 172.557 172.557 174.748 -2.191 18218 9753 1 19 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.470 -1.949 18218 9754 1 19 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.860 -4.781 18218 9755 1 19 . 1 1 7 7 TRP H H 7 7.585 7.585 8.243 -0.658 18218 9756 1 19 . 1 1 8 8 TRP N N 8 118.192 118.192 127.549 -9.357 18218 9757 1 19 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.176 0.275 18218 9758 1 19 . 1 1 8 8 TRP C C 8 171.456 171.456 175.873 -4.417 18218 9759 1 19 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.883 -2.941 18218 9760 1 19 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.324 -3.814 18218 9761 1 19 . 1 1 8 8 TRP H H 8 6.811 6.811 7.860 -1.049 18218 9762 1 19 . 1 1 9 9 VAL N N 9 122.005 122.005 120.026 1.979 18218 9763 1 19 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.106 0.046 18218 9764 1 19 . 1 1 9 9 VAL C C 9 170.671 170.671 175.220 -4.549 18218 9765 1 19 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.721 -4.638 18218 9766 1 19 . 1 1 9 9 VAL CB C 9 29.180 29.180 31.964 -2.784 18218 9767 1 19 . 1 1 9 9 VAL H H 9 6.949 6.949 8.028 -1.079 18218 9768 1 19 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.863 -2.531 18218 9769 1 19 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.610 -3.227 18218 9770 1 19 . 1 1 12 12 ASP N N 12 119.443 119.443 121.287 -1.844 18218 9771 1 19 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.626 -0.102 18218 9772 1 19 . 1 1 12 12 ASP C C 12 174.215 174.215 175.848 -1.633 18218 9773 1 19 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.285 -3.859 18218 9774 1 19 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.519 -4.240 18218 9775 1 19 . 1 1 12 12 ASP H H 12 8.241 8.241 8.413 -0.172 18218 9776 1 19 . 1 1 13 13 ASP N N 13 119.369 119.369 117.830 1.539 18218 9777 1 19 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.644 -0.064 18218 9778 1 19 . 1 1 13 13 ASP C C 13 175.379 175.379 175.012 0.367 18218 9779 1 19 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.618 -3.511 18218 9780 1 19 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.818 -4.476 18218 9781 1 19 . 1 1 13 13 ASP H H 13 7.980 7.980 8.242 -0.262 18218 9782 1 19 . 1 1 14 14 GLU N N 14 121.036 121.036 121.421 -0.385 18218 9783 1 19 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.457 -0.297 18218 9784 1 19 . 1 1 14 14 GLU C C 14 173.633 173.633 174.421 -0.788 18218 9785 1 19 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.312 -2.196 18218 9786 1 19 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.554 -4.348 18218 9787 1 19 . 1 1 14 14 GLU H H 14 8.197 8.197 8.095 0.102 18218 9788 1 19 . 1 1 15 15 ASP N N 15 120.130 120.130 122.954 -2.824 18218 9789 1 19 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.719 -0.077 18218 9790 1 19 . 1 1 15 15 ASP C C 15 173.595 173.595 176.444 -2.849 18218 9791 1 19 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.313 -2.858 18218 9792 1 19 . 1 1 15 15 ASP CB C 15 37.469 37.469 42.285 -4.816 18218 9793 1 19 . 1 1 15 15 ASP H H 15 8.308 8.308 8.558 -0.250 18218 9794 1 19 . 1 1 16 16 CYS N N 16 118.700 118.700 121.079 -2.379 18218 9795 1 19 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.323 0.128 18218 9796 1 19 . 1 1 16 16 CYS CA C 16 55.736 55.736 60.093 -4.357 18218 9797 1 19 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.662 -3.975 18218 9798 1 19 . 1 1 16 16 CYS H H 16 7.968 7.968 8.669 -0.701 18218 9799 1 19 . 1 1 17 17 VAL N N 17 123.275 123.275 117.026 6.249 18218 9800 1 19 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.164 -0.436 18218 9801 1 19 . 1 1 17 17 VAL C C 17 174.430 174.430 175.193 -0.763 18218 9802 1 19 . 1 1 17 17 VAL CA C 17 62.504 62.504 63.025 -0.521 18218 9803 1 19 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.451 -4.220 18218 9804 1 19 . 1 1 17 17 VAL H H 17 8.550 8.550 8.121 0.429 18218 9805 1 19 . 1 1 18 18 SER N N 18 116.499 116.499 113.732 2.767 18218 9806 1 19 . 1 1 18 18 SER HA H 18 3.822 3.822 4.136 -0.314 18218 9807 1 19 . 1 1 18 18 SER CA C 18 58.484 58.484 59.504 -1.020 18218 9808 1 19 . 1 1 18 18 SER CB C 18 59.109 59.109 63.390 -4.281 18218 9809 1 19 . 1 1 18 18 SER H H 18 8.447 8.447 7.862 0.585 18218 9810 1 19 . 1 1 19 19 GLU N N 19 121.940 121.940 121.596 0.344 18218 9811 1 19 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.033 -0.023 18218 9812 1 19 . 1 1 19 19 GLU C C 19 175.544 175.544 178.653 -3.109 18218 9813 1 19 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.705 -4.085 18218 9814 1 19 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.572 -4.125 18218 9815 1 19 . 1 1 19 19 GLU H H 19 7.686 7.686 8.767 -1.081 18218 9816 1 19 . 1 1 20 20 LYS N N 20 119.855 119.855 120.818 -0.963 18218 9817 1 19 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.096 -0.176 18218 9818 1 19 . 1 1 20 20 LYS C C 20 173.696 173.696 179.026 -5.330 18218 9819 1 19 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.248 -3.194 18218 9820 1 19 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.076 -3.149 18218 9821 1 19 . 1 1 20 20 LYS H H 20 7.898 7.898 7.814 0.084 18218 9822 1 19 . 1 1 21 21 LEU N N 21 119.542 119.542 121.395 -1.853 18218 9823 1 19 . 1 1 21 21 LEU HA H 21 4.041 4.041 3.956 0.085 18218 9824 1 19 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.954 -3.607 18218 9825 1 19 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.963 -3.545 18218 9826 1 19 . 1 1 21 21 LEU H H 21 8.056 8.056 8.117 -0.061 18218 9827 1 19 . 1 1 22 22 LEU N N 22 120.384 120.384 119.458 0.926 18218 9828 1 19 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.871 0.179 18218 9829 1 19 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.145 -3.798 18218 9830 1 19 . 1 1 22 22 LEU CB C 22 37.912 37.912 40.680 -2.768 18218 9831 1 19 . 1 1 22 22 LEU H H 22 8.097 8.097 8.251 -0.154 18218 9832 1 19 . 1 1 23 23 ARG N N 23 119.486 119.486 118.686 0.800 18218 9833 1 19 . 1 1 23 23 ARG HA H 23 3.995 3.995 3.973 0.022 18218 9834 1 19 . 1 1 23 23 ARG C C 23 175.443 175.443 178.433 -2.990 18218 9835 1 19 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.791 -2.969 18218 9836 1 19 . 1 1 23 23 ARG CB C 23 26.332 26.332 29.962 -3.630 18218 9837 1 19 . 1 1 23 23 ARG H H 23 8.032 8.032 8.105 -0.073 18218 9838 1 19 . 1 1 24 24 LYS N N 24 119.009 119.009 118.344 0.665 18218 9839 1 19 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.141 -0.001 18218 9840 1 19 . 1 1 24 24 LYS C C 24 175.633 175.633 177.315 -1.682 18218 9841 1 19 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.160 -3.437 18218 9842 1 19 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.646 -4.036 18218 9843 1 19 . 1 1 24 24 LYS H H 24 7.860 7.860 7.765 0.095 18218 9844 1 19 . 1 1 25 25 THR N N 25 112.776 112.776 115.238 -2.462 18218 9845 1 19 . 1 1 25 25 THR HA H 25 4.005 4.005 4.193 -0.188 18218 9846 1 19 . 1 1 25 25 THR C C 25 172.646 172.646 172.967 -0.321 18218 9847 1 19 . 1 1 25 25 THR CA C 25 61.810 61.810 64.446 -2.636 18218 9848 1 19 . 1 1 25 25 THR CB C 25 65.753 65.753 69.319 -3.566 18218 9849 1 19 . 1 1 25 25 THR H H 25 7.867 7.867 7.917 -0.050 18218 9850 1 19 . 1 1 26 26 ARG N N 26 119.996 119.996 123.256 -3.260 18218 9851 1 19 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.415 -0.268 18218 9852 1 19 . 1 1 26 26 ARG C C 26 174.278 174.278 175.314 -1.036 18218 9853 1 19 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.200 -1.853 18218 9854 1 19 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.641 -3.613 18218 9855 1 19 . 1 1 26 26 ARG H H 26 7.765 7.765 8.538 -0.773 18218 9856 1 19 . 1 1 27 27 GLU N N 27 118.067 118.067 122.151 -4.084 18218 9857 1 19 . 1 1 27 27 GLU HA H 27 4.287 4.287 3.981 0.306 18218 9858 1 19 . 1 1 27 27 GLU C C 27 173.582 173.582 174.748 -1.166 18218 9859 1 19 . 1 1 27 27 GLU CA C 27 53.364 53.364 57.923 -4.559 18218 9860 1 19 . 1 1 27 27 GLU CB C 27 26.206 26.206 29.782 -3.576 18218 9861 1 19 . 1 1 27 27 GLU H H 27 7.764 7.764 8.671 -0.907 18218 9862 1 19 . 1 1 28 28 SER N N 28 115.900 115.900 115.254 0.646 18218 9863 1 19 . 1 1 28 28 SER HA H 28 4.740 4.740 4.348 0.392 18218 9864 1 19 . 1 1 28 28 SER C C 28 170.481 170.481 172.504 -2.023 18218 9865 1 19 . 1 1 28 28 SER CA C 28 53.132 53.132 58.416 -5.284 18218 9866 1 19 . 1 1 28 28 SER CB C 28 60.624 60.624 63.509 -2.885 18218 9867 1 19 . 1 1 28 28 SER H H 28 7.630 7.630 8.441 -0.811 18218 9868 1 19 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.609 -0.073 18218 9869 1 19 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.354 -2.063 18218 9870 1 19 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.438 -2.991 18218 9871 1 19 . 1 1 30 30 LEU N N 30 120.365 120.365 119.322 1.043 18218 9872 1 19 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.345 -0.136 18218 9873 1 19 . 1 1 30 30 LEU CA C 30 52.756 52.756 55.208 -2.452 18218 9874 1 19 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.887 -2.963 18218 9875 1 19 . 1 1 30 30 LEU H H 30 8.034 8.034 8.305 -0.271 18218 9876 1 19 . 1 1 31 31 VAL N N 31 117.988 117.988 120.916 -2.928 18218 9877 1 19 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.830 0.403 18218 9878 1 19 . 1 1 31 31 VAL C C 31 171.899 171.899 176.036 -4.137 18218 9879 1 19 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.362 -10.775 18218 9880 1 19 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.655 -0.945 18218 9881 1 19 . 1 1 31 31 VAL H H 31 7.499 7.499 8.358 -0.859 18218 9882 1 19 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.384 0.153 18218 9883 1 19 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.622 -5.526 18218 9884 1 19 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.314 -3.564 18218 9885 1 19 . 1 1 33 33 ILE N N 33 121.507 121.507 118.954 2.553 18218 9886 1 19 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.616 0.303 18218 9887 1 19 . 1 1 33 33 ILE C C 33 173.025 173.025 178.235 -5.210 18218 9888 1 19 . 1 1 33 33 ILE CA C 33 59.872 59.872 65.001 -5.129 18218 9889 1 19 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.481 -2.986 18218 9890 1 19 . 1 1 33 33 ILE H H 33 7.982 7.982 8.286 -0.304 18218 9891 1 19 . 1 1 34 34 GLY N N 34 111.381 111.381 107.425 3.956 18218 9892 1 19 . 1 1 34 34 GLY C C 34 172.987 172.987 175.720 -2.733 18218 9893 1 19 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.918 -3.910 18218 9894 1 19 . 1 1 34 34 GLY H H 34 8.540 8.540 8.583 -0.043 18218 9895 1 19 . 1 1 35 35 LEU N N 35 122.626 122.626 123.369 -0.743 18218 9896 1 19 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.919 0.330 18218 9897 1 19 . 1 1 35 35 LEU C C 35 175.637 175.637 178.884 -3.247 18218 9898 1 19 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.900 -3.668 18218 9899 1 19 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.826 -3.218 18218 9900 1 19 . 1 1 35 35 LEU H H 35 7.964 7.964 7.763 0.201 18218 9901 1 19 . 1 1 36 36 GLY N N 36 106.708 106.708 106.403 0.305 18218 9902 1 19 . 1 1 36 36 GLY C C 36 172.647 172.647 175.936 -3.289 18218 9903 1 19 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.160 -2.734 18218 9904 1 19 . 1 1 36 36 GLY H H 36 8.521 8.521 8.509 0.012 18218 9905 1 19 . 1 1 37 37 GLY N N 37 108.586 108.586 109.043 -0.457 18218 9906 1 19 . 1 1 37 37 GLY C C 37 173.291 173.291 176.249 -2.958 18218 9907 1 19 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.767 -2.631 18218 9908 1 19 . 1 1 37 37 GLY H H 37 8.270 8.270 8.245 0.025 18218 9909 1 19 . 1 1 38 38 CYS N N 38 119.678 119.678 121.621 -1.943 18218 9910 1 19 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.179 0.065 18218 9911 1 19 . 1 1 38 38 CYS C C 38 174.215 174.215 176.329 -2.114 18218 9912 1 19 . 1 1 38 38 CYS CA C 38 59.236 59.236 64.059 -4.823 18218 9913 1 19 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.891 -4.532 18218 9914 1 19 . 1 1 38 38 CYS H H 38 7.836 7.836 8.093 -0.257 18218 9915 1 19 . 1 1 39 39 LEU N N 39 120.798 120.798 121.227 -0.429 18218 9916 1 19 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.833 0.280 18218 9917 1 19 . 1 1 39 39 LEU C C 39 175.506 175.506 178.857 -3.351 18218 9918 1 19 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.172 -3.304 18218 9919 1 19 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.986 -4.137 18218 9920 1 19 . 1 1 39 39 LEU H H 39 7.999 7.999 8.134 -0.135 18218 9921 1 19 . 1 1 40 40 VAL N N 40 118.510 118.510 118.765 -0.255 18218 9922 1 19 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.715 -0.119 18218 9923 1 19 . 1 1 40 40 VAL C C 40 174.544 174.544 177.808 -3.264 18218 9924 1 19 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.762 -3.043 18218 9925 1 19 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.274 -3.360 18218 9926 1 19 . 1 1 40 40 VAL H H 40 7.803 7.803 8.059 -0.256 18218 9927 1 19 . 1 1 41 41 VAL N N 41 119.131 119.131 119.894 -0.763 18218 9928 1 19 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.478 0.214 18218 9929 1 19 . 1 1 41 41 VAL C C 41 175.924 175.924 177.991 -2.067 18218 9930 1 19 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.690 -3.231 18218 9931 1 19 . 1 1 41 41 VAL CB C 41 28.041 28.041 30.602 -2.561 18218 9932 1 19 . 1 1 41 41 VAL H H 41 7.624 7.624 8.051 -0.427 18218 9933 1 19 . 1 1 42 42 ALA N N 42 122.172 122.172 121.564 0.608 18218 9934 1 19 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.853 0.252 18218 9935 1 19 . 1 1 42 42 ALA C C 42 176.582 176.582 179.276 -2.694 18218 9936 1 19 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.470 -3.205 18218 9937 1 19 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.868 -2.988 18218 9938 1 19 . 1 1 42 42 ALA H H 42 8.008 8.008 8.418 -0.409 18218 9939 1 19 . 1 1 43 43 ALA N N 43 119.990 119.990 121.722 -1.732 18218 9940 1 19 . 1 1 43 43 ALA HA H 43 3.991 3.991 3.983 0.008 18218 9941 1 19 . 1 1 43 43 ALA C C 43 176.455 176.455 179.746 -3.291 18218 9942 1 19 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.028 -2.735 18218 9943 1 19 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.078 -3.197 18218 9944 1 19 . 1 1 43 43 ALA H H 43 8.400 8.400 7.756 0.644 18218 9945 1 19 . 1 1 44 44 TYR N N 44 118.221 118.221 118.573 -0.352 18218 9946 1 19 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.027 0.192 18218 9947 1 19 . 1 1 44 44 TYR C C 44 175.177 175.177 178.460 -3.283 18218 9948 1 19 . 1 1 44 44 TYR CA C 44 58.281 58.281 62.627 -4.346 18218 9949 1 19 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.151 -3.529 18218 9950 1 19 . 1 1 44 44 TYR H H 44 8.345 8.345 8.364 -0.019 18218 9951 1 19 . 1 1 45 45 ARG N N 45 119.104 119.104 118.866 0.238 18218 9952 1 19 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.946 -0.113 18218 9953 1 19 . 1 1 45 45 ARG C C 45 176.531 176.531 178.769 -2.238 18218 9954 1 19 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.728 -3.299 18218 9955 1 19 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.827 -3.621 18218 9956 1 19 . 1 1 45 45 ARG H H 45 8.275 8.275 8.524 -0.249 18218 9957 1 19 . 1 1 46 46 ILE N N 46 119.719 119.719 120.257 -0.538 18218 9958 1 19 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.778 -0.077 18218 9959 1 19 . 1 1 46 46 ILE C C 46 174.873 174.873 177.549 -2.676 18218 9960 1 19 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.618 -3.184 18218 9961 1 19 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.912 -4.050 18218 9962 1 19 . 1 1 46 46 ILE H H 46 8.119 8.119 8.608 -0.489 18218 9963 1 19 . 1 1 47 47 TYR N N 47 121.419 121.419 120.625 0.794 18218 9964 1 19 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.976 0.006 18218 9965 1 19 . 1 1 47 47 TYR C C 47 175.544 175.544 177.169 -1.625 18218 9966 1 19 . 1 1 47 47 TYR CA C 47 58.599 58.599 62.354 -3.755 18218 9967 1 19 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.228 -3.353 18218 9968 1 19 . 1 1 47 47 TYR H H 47 8.383 8.383 8.190 0.193 18218 9969 1 19 . 1 1 48 48 ARG N N 48 118.278 118.278 117.530 0.748 18218 9970 1 19 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.112 -0.420 18218 9971 1 19 . 1 1 48 48 ARG C C 48 175.671 175.671 178.372 -2.701 18218 9972 1 19 . 1 1 48 48 ARG CA C 48 54.955 54.955 57.992 -3.037 18218 9973 1 19 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.049 -4.096 18218 9974 1 19 . 1 1 48 48 ARG H H 48 8.074 8.074 8.033 0.041 18218 9975 1 19 . 1 1 49 49 LEU N N 49 120.350 120.350 119.618 0.732 18218 9976 1 19 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.119 0.029 18218 9977 1 19 . 1 1 49 49 LEU C C 49 175.772 175.772 178.209 -2.437 18218 9978 1 19 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.152 -3.644 18218 9979 1 19 . 1 1 49 49 LEU CB C 49 38.481 38.481 41.752 -3.271 18218 9980 1 19 . 1 1 49 49 LEU H H 49 7.744 7.744 8.318 -0.574 18218 9981 1 19 . 1 1 50 50 ARG N N 50 117.990 117.990 117.939 0.051 18218 9982 1 19 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.282 -0.128 18218 9983 1 19 . 1 1 50 50 ARG C C 50 174.139 174.139 175.154 -1.015 18218 9984 1 19 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.396 -3.338 18218 9985 1 19 . 1 1 50 50 ARG CB C 50 26.206 26.206 31.178 -4.972 18218 9986 1 19 . 1 1 50 50 ARG H H 50 7.686 7.686 8.056 -0.370 18218 9987 1 19 . 1 1 51 51 SER N N 51 115.124 115.124 113.981 1.143 18218 9988 1 19 . 1 1 51 51 SER HA H 51 4.274 4.274 4.620 -0.346 18218 9989 1 19 . 1 1 51 51 SER C C 51 172.392 172.392 174.321 -1.929 18218 9990 1 19 . 1 1 51 51 SER CA C 51 56.112 56.112 57.272 -1.160 18218 9991 1 19 . 1 1 51 51 SER CB C 51 60.075 60.075 64.806 -4.731 18218 9992 1 19 . 1 1 51 51 SER H H 51 7.873 7.873 8.195 -0.322 18218 9993 1 19 . 1 1 52 52 ARG N N 52 122.132 122.132 121.430 0.702 18218 9994 1 19 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.524 -0.248 18218 9995 1 19 . 1 1 52 52 ARG C C 52 174.316 174.316 175.427 -1.111 18218 9996 1 19 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.781 -3.359 18218 9997 1 19 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.914 -4.582 18218 9998 1 19 . 1 1 52 52 ARG H H 52 7.923 7.923 8.933 -1.010 18218 9999 1 19 . 1 1 53 53 GLY N N 53 108.907 108.907 108.532 0.375 18218 10000 1 19 . 1 1 53 53 GLY C C 53 171.405 171.405 173.623 -2.218 18218 10001 1 19 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.911 -2.452 18218 10002 1 19 . 1 1 53 53 GLY H H 53 8.142 8.142 8.262 -0.120 18218 10003 1 19 . 1 1 54 54 SER N N 54 115.609 115.609 116.704 -1.095 18218 10004 1 19 . 1 1 54 54 SER HA H 54 4.470 4.470 4.466 0.004 18218 10005 1 19 . 1 1 54 54 SER C C 54 172.367 172.367 175.422 -3.055 18218 10006 1 19 . 1 1 54 54 SER CA C 54 55.504 55.504 58.504 -2.999 18218 10007 1 19 . 1 1 54 54 SER CB C 54 60.537 60.537 63.111 -2.574 18218 10008 1 19 . 1 1 54 54 SER H H 54 8.042 8.042 8.090 -0.048 18218 10009 1 19 . 1 1 55 55 THR N N 55 117.148 117.148 117.929 -0.781 18218 10010 1 19 . 1 1 55 55 THR HA H 55 4.244 4.244 4.207 0.037 18218 10011 1 19 . 1 1 55 55 THR C C 55 171.785 171.785 174.193 -2.408 18218 10012 1 19 . 1 1 55 55 THR CA C 55 59.612 59.612 63.834 -4.222 18218 10013 1 19 . 1 1 55 55 THR CB C 55 66.322 66.322 69.183 -2.861 18218 10014 1 19 . 1 1 55 55 THR H H 55 8.123 8.123 8.083 0.040 18218 10015 1 19 . 1 1 56 56 LYS N N 56 123.462 123.462 117.407 6.055 18218 10016 1 19 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.027 0.217 18218 10017 1 19 . 1 1 56 56 LYS C C 56 173.848 173.848 176.053 -2.205 18218 10018 1 19 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.611 -3.045 18218 10019 1 19 . 1 1 56 56 LYS CB C 56 29.117 29.117 30.815 -1.698 18218 10020 1 19 . 1 1 56 56 LYS H H 56 8.184 8.184 8.059 0.125 18218 10021 1 19 . 1 1 57 57 MET N N 57 121.145 121.145 115.578 5.567 18218 10022 1 19 . 1 1 57 57 MET HA H 57 4.425 4.425 4.045 0.380 18218 10023 1 19 . 1 1 57 57 MET C C 57 172.835 172.835 174.993 -2.158 18218 10024 1 19 . 1 1 57 57 MET CA C 57 52.930 52.930 55.576 -2.646 18218 10025 1 19 . 1 1 57 57 MET CB C 57 29.876 29.876 31.007 -1.131 18218 10026 1 19 . 1 1 57 57 MET H H 57 8.153 8.153 8.592 -0.439 18218 10027 1 19 . 1 1 58 58 SER N N 58 116.811 116.811 112.479 4.332 18218 10028 1 19 . 1 1 58 58 SER HA H 58 4.470 4.470 4.105 0.365 18218 10029 1 19 . 1 1 58 58 SER C C 58 171.620 171.620 174.617 -2.997 18218 10030 1 19 . 1 1 58 58 SER CA C 58 55.041 55.041 59.069 -4.028 18218 10031 1 19 . 1 1 58 58 SER CB C 58 60.653 60.653 63.138 -2.485 18218 10032 1 19 . 1 1 58 58 SER H H 58 7.895 7.895 7.907 -0.012 18218 10033 1 19 . 1 1 59 59 ILE N N 59 122.346 122.346 120.950 1.396 18218 10034 1 19 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.089 -0.099 18218 10035 1 19 . 1 1 59 59 ILE C C 59 173.127 173.127 176.436 -3.309 18218 10036 1 19 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.986 -4.444 18218 10037 1 19 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.417 -3.479 18218 10038 1 19 . 1 1 59 59 ILE H H 59 8.110 8.110 8.515 -0.405 18218 10039 1 19 . 1 1 60 60 HIS N N 60 121.006 121.006 116.535 4.471 18218 10040 1 19 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.727 -0.713 18218 10041 1 19 . 1 1 60 60 HIS C C 60 172.443 172.443 174.828 -2.385 18218 10042 1 19 . 1 1 60 60 HIS CA C 60 53.364 53.364 57.385 -4.021 18218 10043 1 19 . 1 1 60 60 HIS CB C 60 25.510 25.510 31.938 -6.428 18218 10044 1 19 . 1 1 60 60 HIS H H 60 8.235 8.235 8.164 0.071 18218 10045 1 19 . 1 1 61 61 LEU N N 61 120.472 120.472 116.402 4.070 18218 10046 1 19 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.509 -0.320 18218 10047 1 19 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.413 -2.223 18218 10048 1 19 . 1 1 61 61 LEU CB C 61 38.864 38.864 44.292 -5.428 18218 10049 1 19 . 1 1 61 61 LEU H H 61 8.045 8.045 8.057 -0.012 18218 10050 1 19 . 1 1 62 62 ILE N N 62 117.281 117.281 116.190 1.091 18218 10051 1 19 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.229 -0.332 18218 10052 1 19 . 1 1 62 62 ILE CA C 62 59.149 59.149 60.991 -1.842 18218 10053 1 19 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.781 -4.349 18218 10054 1 19 . 1 1 62 62 ILE H H 62 7.555 7.555 8.016 -0.461 18218 10055 1 19 . 1 1 63 63 HIS N N 63 119.488 119.488 124.075 -4.587 18218 10056 1 19 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.586 0.051 18218 10057 1 19 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.767 -3.329 18218 10058 1 19 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.108 -4.979 18218 10059 1 19 . 1 1 63 63 HIS H H 63 8.179 8.179 8.506 -0.327 18218 10060 1 19 . 1 1 64 64 THR N N 64 112.132 112.132 113.539 -1.407 18218 10061 1 19 . 1 1 64 64 THR HA H 64 4.296 4.296 3.948 0.348 18218 10062 1 19 . 1 1 64 64 THR C C 64 175.063 175.063 174.443 0.620 18218 10063 1 19 . 1 1 64 64 THR CA C 64 58.802 58.802 63.664 -4.862 18218 10064 1 19 . 1 1 64 64 THR CB C 64 67.588 67.588 69.119 -1.531 18218 10065 1 19 . 1 1 64 64 THR H H 64 7.576 7.576 7.409 0.167 18218 10066 1 19 . 1 1 65 65 ARG N N 65 123.493 123.493 119.091 4.402 18218 10067 1 19 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.439 -0.143 18218 10068 1 19 . 1 1 65 65 ARG C C 65 175.633 175.633 177.952 -2.319 18218 10069 1 19 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.184 -1.853 18218 10070 1 19 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.681 -4.538 18218 10071 1 19 . 1 1 65 65 ARG H H 65 8.713 8.713 8.257 0.456 18218 10072 1 19 . 1 1 66 66 VAL N N 66 117.974 117.974 121.918 -3.944 18218 10073 1 19 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.786 0.211 18218 10074 1 19 . 1 1 66 66 VAL C C 66 174.215 174.215 177.942 -3.727 18218 10075 1 19 . 1 1 66 66 VAL CA C 66 61.694 61.694 66.031 -4.337 18218 10076 1 19 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.196 -3.155 18218 10077 1 19 . 1 1 66 66 VAL H H 66 7.987 7.987 8.031 -0.044 18218 10078 1 19 . 1 1 67 67 ALA N N 67 123.016 123.016 121.797 1.219 18218 10079 1 19 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.068 -0.068 18218 10080 1 19 . 1 1 67 67 ALA C C 67 175.367 175.367 179.533 -4.166 18218 10081 1 19 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.071 -2.951 18218 10082 1 19 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.974 -3.221 18218 10083 1 19 . 1 1 67 67 ALA H H 67 7.645 7.645 7.722 -0.077 18218 10084 1 19 . 1 1 68 68 ALA N N 68 120.682 120.682 121.808 -1.126 18218 10085 1 19 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.001 0.178 18218 10086 1 19 . 1 1 68 68 ALA C C 68 178.354 178.354 179.906 -1.552 18218 10087 1 19 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.953 -2.804 18218 10088 1 19 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.798 -3.045 18218 10089 1 19 . 1 1 68 68 ALA H H 68 7.931 7.931 7.826 0.105 18218 10090 1 19 . 1 1 69 69 GLN N N 69 119.129 119.129 118.465 0.664 18218 10091 1 19 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.946 0.330 18218 10092 1 19 . 1 1 69 69 GLN C C 69 175.430 175.430 178.368 -2.938 18218 10093 1 19 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.876 -3.603 18218 10094 1 19 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.648 -3.518 18218 10095 1 19 . 1 1 69 69 GLN H H 69 8.213 8.213 8.217 -0.004 18218 10096 1 19 . 1 1 70 70 ALA N N 70 122.065 122.065 121.381 0.684 18218 10097 1 19 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.961 0.039 18218 10098 1 19 . 1 1 70 70 ALA C C 70 176.734 176.734 179.445 -2.711 18218 10099 1 19 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.784 -2.635 18218 10100 1 19 . 1 1 70 70 ALA CB C 70 14.753 14.753 18.100 -3.347 18218 10101 1 19 . 1 1 70 70 ALA H H 70 8.397 8.397 8.333 0.064 18218 10102 1 19 . 1 1 71 71 CYS N N 71 115.893 115.893 117.492 -1.599 18218 10103 1 19 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.070 -0.017 18218 10104 1 19 . 1 1 71 71 CYS C C 71 173.696 173.696 176.628 -2.932 18218 10105 1 19 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.461 -3.010 18218 10106 1 19 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.340 -3.856 18218 10107 1 19 . 1 1 71 71 CYS H H 71 8.169 8.169 7.837 0.332 18218 10108 1 19 . 1 1 72 72 ALA N N 72 122.868 122.868 123.548 -0.680 18218 10109 1 19 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.075 0.185 18218 10110 1 19 . 1 1 72 72 ALA C C 72 177.886 177.886 179.139 -1.253 18218 10111 1 19 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.206 -3.173 18218 10112 1 19 . 1 1 72 72 ALA CB C 72 14.753 14.753 17.865 -3.112 18218 10113 1 19 . 1 1 72 72 ALA H H 72 7.742 7.742 8.176 -0.434 18218 10114 1 19 . 1 1 73 73 VAL N N 73 118.066 118.066 118.194 -0.128 18218 10115 1 19 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.597 0.179 18218 10116 1 19 . 1 1 73 73 VAL C C 73 175.696 175.696 177.414 -1.718 18218 10117 1 19 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.571 -2.922 18218 10118 1 19 . 1 1 73 73 VAL CB C 73 28.104 28.104 31.477 -3.373 18218 10119 1 19 . 1 1 73 73 VAL H H 73 8.050 8.050 8.206 -0.156 18218 10120 1 19 . 1 1 74 74 GLY N N 74 109.146 109.146 107.009 2.137 18218 10121 1 19 . 1 1 74 74 GLY C C 74 171.962 171.962 175.380 -3.418 18218 10122 1 19 . 1 1 74 74 GLY CA C 74 44.570 44.570 46.918 -2.348 18218 10123 1 19 . 1 1 74 74 GLY H H 74 8.648 8.648 7.962 0.686 18218 10124 1 19 . 1 1 75 75 ALA N N 75 123.035 123.035 124.941 -1.906 18218 10125 1 19 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.992 0.097 18218 10126 1 19 . 1 1 75 75 ALA C C 75 178.253 178.253 179.895 -1.642 18218 10127 1 19 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.745 -2.307 18218 10128 1 19 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.351 -3.661 18218 10129 1 19 . 1 1 75 75 ALA H H 75 8.213 8.213 7.955 0.258 18218 10130 1 19 . 1 1 76 76 ILE N N 76 120.121 120.121 119.488 0.633 18218 10131 1 19 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.591 0.238 18218 10132 1 19 . 1 1 76 76 ILE C C 76 176.506 176.506 177.576 -1.070 18218 10133 1 19 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.248 -3.929 18218 10134 1 19 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.961 -3.593 18218 10135 1 19 . 1 1 76 76 ILE H H 76 7.523 7.523 8.168 -0.645 18218 10136 1 19 . 1 1 77 77 MET N N 77 120.468 120.468 119.518 0.950 18218 10137 1 19 . 1 1 77 77 MET HA H 77 4.116 4.116 3.897 0.219 18218 10138 1 19 . 1 1 77 77 MET C C 77 175.038 175.038 178.055 -3.017 18218 10139 1 19 . 1 1 77 77 MET CA C 77 56.314 56.314 59.289 -2.975 18218 10140 1 19 . 1 1 77 77 MET CB C 77 34.242 34.242 32.303 1.939 18218 10141 1 19 . 1 1 77 77 MET H H 77 8.239 8.239 8.339 -0.100 18218 10142 1 19 . 1 1 78 78 LEU N N 78 119.389 119.389 119.143 0.246 18218 10143 1 19 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.907 0.057 18218 10144 1 19 . 1 1 78 78 LEU C C 78 176.202 176.202 178.654 -2.452 18218 10145 1 19 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.314 -3.446 18218 10146 1 19 . 1 1 78 78 LEU CB C 78 37.785 37.785 40.670 -2.885 18218 10147 1 19 . 1 1 78 78 LEU H H 78 8.571 8.571 8.451 0.120 18218 10148 1 19 . 1 1 79 79 GLY N N 79 105.857 105.857 106.845 -0.988 18218 10149 1 19 . 1 1 79 79 GLY C C 79 173.861 173.861 175.831 -1.970 18218 10150 1 19 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.480 -3.228 18218 10151 1 19 . 1 1 79 79 GLY H H 79 8.006 8.006 8.022 -0.016 18218 10152 1 19 . 1 1 80 80 ALA N N 80 125.631 125.631 125.161 0.470 18218 10153 1 19 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.866 0.429 18218 10154 1 19 . 1 1 80 80 ALA C C 80 177.544 177.544 179.598 -2.054 18218 10155 1 19 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.138 -3.134 18218 10156 1 19 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.539 -3.849 18218 10157 1 19 . 1 1 80 80 ALA H H 80 7.971 7.971 8.262 -0.291 18218 10158 1 19 . 1 1 81 81 VAL N N 81 118.858 118.858 120.183 -1.325 18218 10159 1 19 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.675 0.065 18218 10160 1 19 . 1 1 81 81 VAL C C 81 174.974 174.974 178.443 -3.469 18218 10161 1 19 . 1 1 81 81 VAL CA C 81 63.314 63.314 65.850 -2.535 18218 10162 1 19 . 1 1 81 81 VAL CB C 81 27.788 27.788 30.803 -3.015 18218 10163 1 19 . 1 1 81 81 VAL H H 81 8.206 8.206 8.369 -0.163 18218 10164 1 19 . 1 1 82 82 TYR N N 82 121.151 121.151 119.215 1.936 18218 10165 1 19 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.129 0.148 18218 10166 1 19 . 1 1 82 82 TYR C C 82 176.038 176.038 178.615 -2.577 18218 10167 1 19 . 1 1 82 82 TYR CA C 82 58.802 58.802 61.896 -3.094 18218 10168 1 19 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.576 -3.144 18218 10169 1 19 . 1 1 82 82 TYR H H 82 8.614 8.614 8.802 -0.188 18218 10170 1 19 . 1 1 83 83 THR N N 83 118.253 118.253 116.178 2.075 18218 10171 1 19 . 1 1 83 83 THR HA H 83 4.340 4.340 3.857 0.483 18218 10172 1 19 . 1 1 83 83 THR CA C 83 63.980 63.980 67.431 -3.451 18218 10173 1 19 . 1 1 83 83 THR CB C 83 65.437 65.437 68.757 -3.320 18218 10174 1 19 . 1 1 83 83 THR H H 83 8.361 8.361 8.302 0.059 18218 10175 1 19 . 1 1 84 84 MET N N 84 121.616 121.616 121.040 0.576 18218 10176 1 19 . 1 1 84 84 MET C C 84 175.949 175.949 177.832 -1.883 18218 10177 1 19 . 1 1 84 84 MET CA C 84 56.603 56.603 59.909 -3.306 18218 10178 1 19 . 1 1 84 84 MET CB C 84 29.180 29.180 32.508 -3.328 18218 10179 1 19 . 1 1 84 84 MET H H 84 8.053 8.053 8.366 -0.313 18218 10180 1 19 . 1 1 85 85 TYR N N 85 120.690 120.690 120.038 0.652 18218 10181 1 19 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.201 -0.031 18218 10182 1 19 . 1 1 85 85 TYR C C 85 173.709 173.709 177.222 -3.513 18218 10183 1 19 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.329 -2.845 18218 10184 1 19 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.256 -3.318 18218 10185 1 19 . 1 1 85 85 TYR H H 85 8.543 8.543 8.454 0.089 18218 10186 1 19 . 1 1 86 86 SER N N 86 115.536 115.536 112.735 2.801 18218 10187 1 19 . 1 1 86 86 SER HA H 86 3.802 3.802 4.214 -0.412 18218 10188 1 19 . 1 1 86 86 SER C C 86 174.709 174.709 176.641 -1.932 18218 10189 1 19 . 1 1 86 86 SER CA C 86 58.542 58.542 61.329 -2.787 18218 10190 1 19 . 1 1 86 86 SER CB C 86 59.243 59.243 63.545 -4.302 18218 10191 1 19 . 1 1 86 86 SER H H 86 8.422 8.422 8.195 0.227 18218 10192 1 19 . 1 1 87 87 ASP N N 87 121.132 121.132 123.140 -2.008 18218 10193 1 19 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.332 0.017 18218 10194 1 19 . 1 1 87 87 ASP C C 87 175.177 175.177 177.273 -2.096 18218 10195 1 19 . 1 1 87 87 ASP CA C 87 53.769 53.769 57.157 -3.388 18218 10196 1 19 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.691 -4.361 18218 10197 1 19 . 1 1 87 87 ASP H H 87 8.295 8.295 8.265 0.030 18218 10198 1 19 . 1 1 88 88 TYR N N 88 122.430 122.430 118.148 4.282 18218 10199 1 19 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.128 -0.012 18218 10200 1 19 . 1 1 88 88 TYR C C 88 174.772 174.772 176.315 -1.543 18218 10201 1 19 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.417 -1.875 18218 10202 1 19 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.442 -3.314 18218 10203 1 19 . 1 1 88 88 TYR H H 88 7.919 7.919 8.063 -0.144 18218 10204 1 19 . 1 1 89 89 VAL N N 89 118.321 118.321 118.703 -0.382 18218 10205 1 19 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.880 -0.454 18218 10206 1 19 . 1 1 89 89 VAL C C 89 176.101 176.101 176.955 -0.854 18218 10207 1 19 . 1 1 89 89 VAL CA C 89 62.794 62.794 62.936 -0.142 18218 10208 1 19 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.400 -4.549 18218 10209 1 19 . 1 1 89 89 VAL H H 89 8.121 8.121 7.561 0.560 18218 10210 1 19 . 1 1 90 90 LYS N N 90 120.272 120.272 128.198 -7.926 18218 10211 1 19 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.048 -0.039 18218 10212 1 19 . 1 1 90 90 LYS C C 90 176.126 176.126 177.281 -1.155 18218 10213 1 19 . 1 1 90 90 LYS CA C 90 55.851 55.851 58.507 -2.656 18218 10214 1 19 . 1 1 90 90 LYS CB C 90 28.610 28.610 32.690 -4.080 18218 10215 1 19 . 1 1 90 90 LYS H H 90 7.708 7.708 8.538 -0.830 18218 10216 1 19 . 1 1 91 91 ARG N N 91 119.904 119.904 118.889 1.015 18218 10217 1 19 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.345 -0.317 18218 10218 1 19 . 1 1 91 91 ARG C C 91 175.544 175.544 174.564 0.980 18218 10219 1 19 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.268 -1.082 18218 10220 1 19 . 1 1 91 91 ARG CB C 91 26.269 26.269 29.816 -3.546 18218 10221 1 19 . 1 1 91 91 ARG H H 91 7.685 7.685 8.073 -0.388 18218 10222 1 19 . 1 1 92 92 MET N N 92 118.654 118.654 118.101 0.553 18218 10223 1 19 . 1 1 92 92 MET HA H 92 4.248 4.248 4.254 -0.006 18218 10224 1 19 . 1 1 92 92 MET C C 92 174.810 174.810 175.240 -0.430 18218 10225 1 19 . 1 1 92 92 MET CA C 92 53.508 53.508 56.139 -2.631 18218 10226 1 19 . 1 1 92 92 MET CB C 92 26.016 26.016 32.642 -6.625 18218 10227 1 19 . 1 1 92 92 MET H H 92 7.790 7.790 7.850 -0.060 18218 10228 1 19 . 1 1 93 93 ALA N N 93 122.890 122.890 125.173 -2.283 18218 10229 1 19 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.370 -0.159 18218 10230 1 19 . 1 1 93 93 ALA C C 93 175.633 175.633 175.723 -0.090 18218 10231 1 19 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.803 -2.881 18218 10232 1 19 . 1 1 93 93 ALA CB C 93 15.259 15.259 20.390 -5.131 18218 10233 1 19 . 1 1 93 93 ALA H H 93 7.648 7.648 8.258 -0.610 18218 10234 1 19 . 1 1 94 94 GLN N N 94 119.315 119.315 119.001 0.314 18218 10235 1 19 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.561 -0.362 18218 10236 1 19 . 1 1 94 94 GLN C C 94 173.676 173.676 174.356 -0.680 18218 10237 1 19 . 1 1 94 94 GLN CA C 94 53.364 53.364 55.806 -2.442 18218 10238 1 19 . 1 1 94 94 GLN CB C 94 25.890 25.890 29.569 -3.679 18218 10239 1 19 . 1 1 94 94 GLN H H 94 7.887 7.887 8.141 -0.254 18218 10240 1 19 . 1 1 95 95 ASP N N 95 121.546 121.546 121.295 0.251 18218 10241 1 19 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.788 -0.228 18218 10242 1 19 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.727 -3.243 18218 10243 1 19 . 1 1 95 95 ASP CB C 95 37.722 37.722 41.649 -3.927 18218 10244 1 19 . 1 1 95 95 ASP H H 95 8.199 8.199 8.599 -0.400 18218 10245 1 19 . 1 1 96 96 ALA N N 96 125.033 125.033 123.381 1.652 18218 10246 1 19 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.478 -0.223 18218 10247 1 19 . 1 1 96 96 ALA C C 96 175.645 175.645 178.293 -2.648 18218 10248 1 19 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.598 -2.821 18218 10249 1 19 . 1 1 96 96 ALA CB C 96 15.576 15.576 19.149 -3.574 18218 10250 1 19 . 1 1 96 96 ALA H H 96 8.062 8.062 8.081 -0.019 18218 10251 1 19 . 1 1 97 97 GLY N N 97 108.048 108.048 108.091 -0.043 18218 10252 1 19 . 1 1 97 97 GLY C C 97 171.418 171.418 173.392 -1.974 18218 10253 1 19 . 1 1 97 97 GLY CA C 97 42.140 42.140 44.671 -2.531 18218 10254 1 19 . 1 1 97 97 GLY H H 97 8.196 8.196 8.026 0.170 18218 10255 1 19 . 1 1 98 98 GLU N N 98 121.445 121.445 122.370 -0.925 18218 10256 1 19 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.423 -0.158 18218 10257 1 19 . 1 1 98 98 GLU C C 98 172.987 172.987 176.687 -3.700 18218 10258 1 19 . 1 1 98 98 GLU CA C 98 53.277 53.277 55.980 -2.704 18218 10259 1 19 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.353 -3.957 18218 10260 1 19 . 1 1 98 98 GLU H H 98 8.086 8.086 8.588 -0.502 18218 10261 1 20 . 1 1 2 2 SER N N 2 116.234 116.234 117.432 -1.198 18218 10262 1 20 . 1 1 2 2 SER HA H 2 4.828 4.828 4.775 0.053 18218 10263 1 20 . 1 1 2 2 SER C C 2 171.696 171.696 172.710 -1.014 18218 10264 1 20 . 1 1 2 2 SER CA C 2 55.273 55.273 58.740 -3.467 18218 10265 1 20 . 1 1 2 2 SER CB C 2 60.624 60.624 64.742 -4.118 18218 10266 1 20 . 1 1 2 2 SER H H 2 7.958 7.958 8.041 -0.083 18218 10267 1 20 . 1 1 3 3 ALA N N 3 125.895 125.895 125.763 0.132 18218 10268 1 20 . 1 1 3 3 ALA C C 3 174.633 174.633 175.567 -0.934 18218 10269 1 20 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.113 -2.394 18218 10270 1 20 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.985 -4.473 18218 10271 1 20 . 1 1 3 3 ALA H H 3 8.273 8.273 8.333 -0.060 18218 10272 1 20 . 1 1 4 4 ASN N N 4 118.166 118.166 118.821 -0.655 18218 10273 1 20 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.308 0.292 18218 10274 1 20 . 1 1 4 4 ASN C C 4 172.089 172.089 173.850 -1.761 18218 10275 1 20 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.636 -3.367 18218 10276 1 20 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.504 -2.933 18218 10277 1 20 . 1 1 4 4 ASN H H 4 8.307 8.307 8.287 0.020 18218 10278 1 20 . 1 1 5 5 ARG N N 5 121.553 121.553 120.733 0.820 18218 10279 1 20 . 1 1 5 5 ARG HA H 5 4.169 4.169 3.937 0.232 18218 10280 1 20 . 1 1 5 5 ARG C C 5 173.013 173.013 174.929 -1.916 18218 10281 1 20 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.775 -3.961 18218 10282 1 20 . 1 1 5 5 ARG CB C 5 27.218 27.218 29.957 -2.740 18218 10283 1 20 . 1 1 5 5 ARG H H 5 8.058 8.058 8.546 -0.488 18218 10284 1 20 . 1 1 6 6 ARG N N 6 122.689 122.689 122.042 0.647 18218 10285 1 20 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.108 -0.167 18218 10286 1 20 . 1 1 6 6 ARG C C 6 173.392 173.392 174.168 -0.776 18218 10287 1 20 . 1 1 6 6 ARG CA C 6 52.265 52.265 57.137 -4.872 18218 10288 1 20 . 1 1 6 6 ARG CB C 6 26.206 26.206 29.791 -3.584 18218 10289 1 20 . 1 1 6 6 ARG H H 6 8.122 8.122 8.671 -0.549 18218 10290 1 20 . 1 1 7 7 TRP N N 7 120.901 120.901 126.401 -5.500 18218 10291 1 20 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.829 -0.411 18218 10292 1 20 . 1 1 7 7 TRP C C 7 172.557 172.557 174.692 -2.135 18218 10293 1 20 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.922 -2.401 18218 10294 1 20 . 1 1 7 7 TRP CB C 7 26.079 26.079 30.272 -4.193 18218 10295 1 20 . 1 1 7 7 TRP H H 7 7.585 7.585 8.074 -0.489 18218 10296 1 20 . 1 1 8 8 TRP N N 8 118.192 118.192 124.713 -6.521 18218 10297 1 20 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.572 -0.121 18218 10298 1 20 . 1 1 8 8 TRP C C 8 171.456 171.456 174.168 -2.712 18218 10299 1 20 . 1 1 8 8 TRP CA C 8 53.942 53.942 56.621 -2.679 18218 10300 1 20 . 1 1 8 8 TRP CB C 8 25.510 25.510 30.336 -4.826 18218 10301 1 20 . 1 1 8 8 TRP H H 8 6.811 6.811 7.926 -1.115 18218 10302 1 20 . 1 1 9 9 VAL N N 9 122.005 122.005 122.780 -0.775 18218 10303 1 20 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.411 -0.259 18218 10304 1 20 . 1 1 9 9 VAL C C 9 170.671 170.671 173.939 -3.268 18218 10305 1 20 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.181 -4.098 18218 10306 1 20 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.250 -3.070 18218 10307 1 20 . 1 1 9 9 VAL H H 9 6.949 6.949 7.809 -0.860 18218 10308 1 20 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.045 -1.713 18218 10309 1 20 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.751 -3.368 18218 10310 1 20 . 1 1 12 12 ASP N N 12 119.443 119.443 118.731 0.712 18218 10311 1 20 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.515 0.009 18218 10312 1 20 . 1 1 12 12 ASP C C 12 174.215 174.215 176.224 -2.009 18218 10313 1 20 . 1 1 12 12 ASP CA C 12 51.426 51.426 55.359 -3.933 18218 10314 1 20 . 1 1 12 12 ASP CB C 12 37.279 37.279 42.290 -5.011 18218 10315 1 20 . 1 1 12 12 ASP H H 12 8.241 8.241 8.653 -0.412 18218 10316 1 20 . 1 1 13 13 ASP N N 13 119.369 119.369 116.942 2.427 18218 10317 1 20 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.619 -0.039 18218 10318 1 20 . 1 1 13 13 ASP C C 13 175.379 175.379 176.776 -1.397 18218 10319 1 20 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.520 -3.413 18218 10320 1 20 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.560 -4.218 18218 10321 1 20 . 1 1 13 13 ASP H H 13 7.980 7.980 8.050 -0.070 18218 10322 1 20 . 1 1 14 14 GLU N N 14 121.036 121.036 119.321 1.715 18218 10323 1 20 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.466 -0.306 18218 10324 1 20 . 1 1 14 14 GLU C C 14 173.633 173.633 175.221 -1.588 18218 10325 1 20 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.722 -2.606 18218 10326 1 20 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.689 -4.483 18218 10327 1 20 . 1 1 14 14 GLU H H 14 8.197 8.197 8.028 0.169 18218 10328 1 20 . 1 1 15 15 ASP N N 15 120.130 120.130 119.785 0.345 18218 10329 1 20 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.463 0.179 18218 10330 1 20 . 1 1 15 15 ASP C C 15 173.595 173.595 175.255 -1.660 18218 10331 1 20 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.337 -2.881 18218 10332 1 20 . 1 1 15 15 ASP CB C 15 37.469 37.469 40.650 -3.181 18218 10333 1 20 . 1 1 15 15 ASP H H 15 8.308 8.308 8.276 0.032 18218 10334 1 20 . 1 1 16 16 CYS N N 16 118.700 118.700 120.956 -2.256 18218 10335 1 20 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.425 0.026 18218 10336 1 20 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.459 -3.723 18218 10337 1 20 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.358 -3.671 18218 10338 1 20 . 1 1 16 16 CYS H H 16 7.968 7.968 8.338 -0.370 18218 10339 1 20 . 1 1 17 17 VAL N N 17 123.275 123.275 118.821 4.454 18218 10340 1 20 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.181 -0.453 18218 10341 1 20 . 1 1 17 17 VAL C C 17 174.430 174.430 176.026 -1.596 18218 10342 1 20 . 1 1 17 17 VAL CA C 17 62.504 62.504 63.684 -1.180 18218 10343 1 20 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.252 -4.021 18218 10344 1 20 . 1 1 17 17 VAL H H 17 8.550 8.550 7.921 0.629 18218 10345 1 20 . 1 1 18 18 SER N N 18 116.499 116.499 113.163 3.336 18218 10346 1 20 . 1 1 18 18 SER HA H 18 3.822 3.822 4.099 -0.277 18218 10347 1 20 . 1 1 18 18 SER CA C 18 58.484 58.484 58.744 -0.260 18218 10348 1 20 . 1 1 18 18 SER CB C 18 59.109 59.109 63.531 -4.422 18218 10349 1 20 . 1 1 18 18 SER H H 18 8.447 8.447 7.824 0.623 18218 10350 1 20 . 1 1 19 19 GLU N N 19 121.940 121.940 121.236 0.704 18218 10351 1 20 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.028 -0.018 18218 10352 1 20 . 1 1 19 19 GLU C C 19 175.544 175.544 178.427 -2.883 18218 10353 1 20 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.487 -3.867 18218 10354 1 20 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.616 -4.168 18218 10355 1 20 . 1 1 19 19 GLU H H 19 7.686 7.686 8.834 -1.148 18218 10356 1 20 . 1 1 20 20 LYS N N 20 119.855 119.855 120.211 -0.356 18218 10357 1 20 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.010 -0.090 18218 10358 1 20 . 1 1 20 20 LYS C C 20 173.696 173.696 179.112 -5.416 18218 10359 1 20 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.651 -3.598 18218 10360 1 20 . 1 1 20 20 LYS CB C 20 28.927 28.927 31.991 -3.064 18218 10361 1 20 . 1 1 20 20 LYS H H 20 7.898 7.898 7.940 -0.042 18218 10362 1 20 . 1 1 21 21 LEU N N 21 119.542 119.542 121.086 -1.544 18218 10363 1 20 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.063 -0.022 18218 10364 1 20 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.781 -3.434 18218 10365 1 20 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.179 -2.761 18218 10366 1 20 . 1 1 21 21 LEU H H 21 8.056 8.056 7.954 0.102 18218 10367 1 20 . 1 1 22 22 LEU N N 22 120.384 120.384 119.747 0.637 18218 10368 1 20 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.915 0.135 18218 10369 1 20 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.338 -3.991 18218 10370 1 20 . 1 1 22 22 LEU CB C 22 37.912 37.912 40.986 -3.074 18218 10371 1 20 . 1 1 22 22 LEU H H 22 8.097 8.097 8.095 0.002 18218 10372 1 20 . 1 1 23 23 ARG N N 23 119.486 119.486 118.136 1.350 18218 10373 1 20 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.078 -0.083 18218 10374 1 20 . 1 1 23 23 ARG C C 23 175.443 175.443 178.014 -2.571 18218 10375 1 20 . 1 1 23 23 ARG CA C 23 55.822 55.822 57.657 -1.835 18218 10376 1 20 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.282 -3.950 18218 10377 1 20 . 1 1 23 23 ARG H H 23 8.032 8.032 8.061 -0.029 18218 10378 1 20 . 1 1 24 24 LYS N N 24 119.009 119.009 117.183 1.826 18218 10379 1 20 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.081 0.059 18218 10380 1 20 . 1 1 24 24 LYS C C 24 175.633 175.633 177.614 -1.981 18218 10381 1 20 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.075 -3.352 18218 10382 1 20 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.119 -3.509 18218 10383 1 20 . 1 1 24 24 LYS H H 24 7.860 7.860 7.964 -0.104 18218 10384 1 20 . 1 1 25 25 THR N N 25 112.776 112.776 114.548 -1.772 18218 10385 1 20 . 1 1 25 25 THR HA H 25 4.005 4.005 4.161 -0.156 18218 10386 1 20 . 1 1 25 25 THR C C 25 172.646 172.646 174.716 -2.070 18218 10387 1 20 . 1 1 25 25 THR CA C 25 61.810 61.810 64.121 -2.311 18218 10388 1 20 . 1 1 25 25 THR CB C 25 65.753 65.753 69.580 -3.827 18218 10389 1 20 . 1 1 25 25 THR H H 25 7.867 7.867 7.777 0.090 18218 10390 1 20 . 1 1 26 26 ARG N N 26 119.996 119.996 123.089 -3.093 18218 10391 1 20 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.439 -0.292 18218 10392 1 20 . 1 1 26 26 ARG C C 26 174.278 174.278 174.421 -0.143 18218 10393 1 20 . 1 1 26 26 ARG CA C 26 54.347 54.347 55.708 -1.361 18218 10394 1 20 . 1 1 26 26 ARG CB C 26 27.028 27.028 31.626 -4.598 18218 10395 1 20 . 1 1 26 26 ARG H H 26 7.765 7.765 8.124 -0.359 18218 10396 1 20 . 1 1 27 27 GLU N N 27 118.067 118.067 119.652 -1.585 18218 10397 1 20 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.733 -0.446 18218 10398 1 20 . 1 1 27 27 GLU C C 27 173.582 173.582 175.063 -1.481 18218 10399 1 20 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.330 -2.966 18218 10400 1 20 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.284 -4.077 18218 10401 1 20 . 1 1 27 27 GLU H H 27 7.764 7.764 8.505 -0.741 18218 10402 1 20 . 1 1 28 28 SER N N 28 115.900 115.900 116.410 -0.510 18218 10403 1 20 . 1 1 28 28 SER HA H 28 4.740 4.740 4.950 -0.210 18218 10404 1 20 . 1 1 28 28 SER C C 28 170.481 170.481 172.228 -1.747 18218 10405 1 20 . 1 1 28 28 SER CA C 28 53.132 53.132 55.963 -2.831 18218 10406 1 20 . 1 1 28 28 SER CB C 28 60.624 60.624 64.089 -3.465 18218 10407 1 20 . 1 1 28 28 SER H H 28 7.630 7.630 7.923 -0.293 18218 10408 1 20 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.666 -0.130 18218 10409 1 20 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.544 -2.253 18218 10410 1 20 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.474 -3.027 18218 10411 1 20 . 1 1 30 30 LEU N N 30 120.365 120.365 122.492 -2.127 18218 10412 1 20 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.593 -0.384 18218 10413 1 20 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.759 -4.003 18218 10414 1 20 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.607 -2.683 18218 10415 1 20 . 1 1 30 30 LEU H H 30 8.034 8.034 8.123 -0.089 18218 10416 1 20 . 1 1 31 31 VAL N N 31 117.988 117.988 121.986 -3.998 18218 10417 1 20 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.837 0.396 18218 10418 1 20 . 1 1 31 31 VAL C C 31 171.899 171.899 175.640 -3.741 18218 10419 1 20 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.416 -10.829 18218 10420 1 20 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.546 -0.836 18218 10421 1 20 . 1 1 31 31 VAL H H 31 7.499 7.499 8.386 -0.887 18218 10422 1 20 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.314 0.223 18218 10423 1 20 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.989 -5.893 18218 10424 1 20 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.226 -3.476 18218 10425 1 20 . 1 1 33 33 ILE N N 33 121.507 121.507 119.259 2.248 18218 10426 1 20 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.668 0.251 18218 10427 1 20 . 1 1 33 33 ILE C C 33 173.025 173.025 177.934 -4.909 18218 10428 1 20 . 1 1 33 33 ILE CA C 33 59.872 59.872 65.051 -5.179 18218 10429 1 20 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.910 -3.416 18218 10430 1 20 . 1 1 33 33 ILE H H 33 7.982 7.982 7.492 0.490 18218 10431 1 20 . 1 1 34 34 GLY N N 34 111.381 111.381 107.561 3.820 18218 10432 1 20 . 1 1 34 34 GLY C C 34 172.987 172.987 176.071 -3.084 18218 10433 1 20 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.967 -3.959 18218 10434 1 20 . 1 1 34 34 GLY H H 34 8.540 8.540 8.767 -0.227 18218 10435 1 20 . 1 1 35 35 LEU N N 35 122.626 122.626 123.625 -0.999 18218 10436 1 20 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.896 0.353 18218 10437 1 20 . 1 1 35 35 LEU C C 35 175.637 175.637 179.203 -3.566 18218 10438 1 20 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.628 -3.396 18218 10439 1 20 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.076 -2.468 18218 10440 1 20 . 1 1 35 35 LEU H H 35 7.964 7.964 8.118 -0.154 18218 10441 1 20 . 1 1 36 36 GLY N N 36 106.708 106.708 105.839 0.869 18218 10442 1 20 . 1 1 36 36 GLY C C 36 172.647 172.647 176.101 -3.454 18218 10443 1 20 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.425 -2.999 18218 10444 1 20 . 1 1 36 36 GLY H H 36 8.521 8.521 8.863 -0.342 18218 10445 1 20 . 1 1 37 37 GLY N N 37 108.586 108.586 108.056 0.530 18218 10446 1 20 . 1 1 37 37 GLY C C 37 173.291 173.291 175.796 -2.505 18218 10447 1 20 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.767 -2.631 18218 10448 1 20 . 1 1 37 37 GLY H H 37 8.270 8.270 8.331 -0.061 18218 10449 1 20 . 1 1 38 38 CYS N N 38 119.678 119.678 120.944 -1.266 18218 10450 1 20 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.199 0.045 18218 10451 1 20 . 1 1 38 38 CYS C C 38 174.215 174.215 176.424 -2.209 18218 10452 1 20 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.859 -3.623 18218 10453 1 20 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.900 -4.541 18218 10454 1 20 . 1 1 38 38 CYS H H 38 7.836 7.836 7.661 0.175 18218 10455 1 20 . 1 1 39 39 LEU N N 39 120.798 120.798 120.865 -0.067 18218 10456 1 20 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.863 0.250 18218 10457 1 20 . 1 1 39 39 LEU C C 39 175.506 175.506 179.167 -3.661 18218 10458 1 20 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.687 -3.819 18218 10459 1 20 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.580 -3.731 18218 10460 1 20 . 1 1 39 39 LEU H H 39 7.999 7.999 8.237 -0.238 18218 10461 1 20 . 1 1 40 40 VAL N N 40 118.510 118.510 118.617 -0.107 18218 10462 1 20 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.572 0.024 18218 10463 1 20 . 1 1 40 40 VAL C C 40 174.544 174.544 177.816 -3.272 18218 10464 1 20 . 1 1 40 40 VAL CA C 40 63.719 63.719 65.644 -1.925 18218 10465 1 20 . 1 1 40 40 VAL CB C 40 27.914 27.914 30.756 -2.842 18218 10466 1 20 . 1 1 40 40 VAL H H 40 7.803 7.803 8.173 -0.370 18218 10467 1 20 . 1 1 41 41 VAL N N 41 119.131 119.131 120.051 -0.920 18218 10468 1 20 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.597 0.095 18218 10469 1 20 . 1 1 41 41 VAL C C 41 175.924 175.924 177.830 -1.906 18218 10470 1 20 . 1 1 41 41 VAL CA C 41 63.459 63.459 67.253 -3.794 18218 10471 1 20 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.037 -2.996 18218 10472 1 20 . 1 1 41 41 VAL H H 41 7.624 7.624 8.003 -0.379 18218 10473 1 20 . 1 1 42 42 ALA N N 42 122.172 122.172 121.946 0.226 18218 10474 1 20 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.810 0.295 18218 10475 1 20 . 1 1 42 42 ALA C C 42 176.582 176.582 178.785 -2.203 18218 10476 1 20 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.403 -3.138 18218 10477 1 20 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.788 -2.908 18218 10478 1 20 . 1 1 42 42 ALA H H 42 8.008 8.008 8.303 -0.295 18218 10479 1 20 . 1 1 43 43 ALA N N 43 119.990 119.990 121.797 -1.807 18218 10480 1 20 . 1 1 43 43 ALA HA H 43 3.991 3.991 3.953 0.038 18218 10481 1 20 . 1 1 43 43 ALA C C 43 176.455 176.455 179.510 -3.055 18218 10482 1 20 . 1 1 43 43 ALA CA C 43 52.293 52.293 54.994 -2.701 18218 10483 1 20 . 1 1 43 43 ALA CB C 43 14.880 14.880 17.860 -2.980 18218 10484 1 20 . 1 1 43 43 ALA H H 43 8.400 8.400 7.700 0.700 18218 10485 1 20 . 1 1 44 44 TYR N N 44 118.221 118.221 118.596 -0.375 18218 10486 1 20 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.052 0.167 18218 10487 1 20 . 1 1 44 44 TYR C C 44 175.177 175.177 178.561 -3.384 18218 10488 1 20 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.088 -2.807 18218 10489 1 20 . 1 1 44 44 TYR CB C 44 34.622 34.622 37.845 -3.223 18218 10490 1 20 . 1 1 44 44 TYR H H 44 8.345 8.345 8.350 -0.005 18218 10491 1 20 . 1 1 45 45 ARG N N 45 119.104 119.104 118.758 0.346 18218 10492 1 20 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.926 -0.093 18218 10493 1 20 . 1 1 45 45 ARG C C 45 176.531 176.531 178.957 -2.426 18218 10494 1 20 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.818 -3.388 18218 10495 1 20 . 1 1 45 45 ARG CB C 45 26.206 26.206 30.038 -3.832 18218 10496 1 20 . 1 1 45 45 ARG H H 45 8.275 8.275 8.437 -0.162 18218 10497 1 20 . 1 1 46 46 ILE N N 46 119.719 119.719 120.082 -0.363 18218 10498 1 20 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.735 -0.034 18218 10499 1 20 . 1 1 46 46 ILE C C 46 174.873 174.873 178.414 -3.541 18218 10500 1 20 . 1 1 46 46 ILE CA C 46 61.434 61.434 64.273 -2.840 18218 10501 1 20 . 1 1 46 46 ILE CB C 46 33.862 33.862 36.705 -2.843 18218 10502 1 20 . 1 1 46 46 ILE H H 46 8.119 8.119 8.561 -0.442 18218 10503 1 20 . 1 1 47 47 TYR N N 47 121.419 121.419 119.391 2.028 18218 10504 1 20 . 1 1 47 47 TYR HA H 47 3.982 3.982 4.106 -0.124 18218 10505 1 20 . 1 1 47 47 TYR C C 47 175.544 175.544 178.206 -2.662 18218 10506 1 20 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.682 -3.083 18218 10507 1 20 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.140 -3.265 18218 10508 1 20 . 1 1 47 47 TYR H H 47 8.383 8.383 8.467 -0.084 18218 10509 1 20 . 1 1 48 48 ARG N N 48 118.278 118.278 118.626 -0.348 18218 10510 1 20 . 1 1 48 48 ARG HA H 48 3.692 3.692 4.083 -0.391 18218 10511 1 20 . 1 1 48 48 ARG C C 48 175.671 175.671 177.539 -1.868 18218 10512 1 20 . 1 1 48 48 ARG CA C 48 54.955 54.955 59.431 -4.476 18218 10513 1 20 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.607 -4.654 18218 10514 1 20 . 1 1 48 48 ARG H H 48 8.074 8.074 8.204 -0.130 18218 10515 1 20 . 1 1 49 49 LEU N N 49 120.350 120.350 118.660 1.690 18218 10516 1 20 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.155 -0.007 18218 10517 1 20 . 1 1 49 49 LEU C C 49 175.772 175.772 177.295 -1.523 18218 10518 1 20 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.190 -3.682 18218 10519 1 20 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.273 -3.792 18218 10520 1 20 . 1 1 49 49 LEU H H 49 7.744 7.744 8.083 -0.339 18218 10521 1 20 . 1 1 50 50 ARG N N 50 117.990 117.990 118.589 -0.599 18218 10522 1 20 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.153 0.001 18218 10523 1 20 . 1 1 50 50 ARG C C 50 174.139 174.139 175.670 -1.531 18218 10524 1 20 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.512 -3.454 18218 10525 1 20 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.484 -4.278 18218 10526 1 20 . 1 1 50 50 ARG H H 50 7.686 7.686 7.955 -0.269 18218 10527 1 20 . 1 1 51 51 SER N N 51 115.124 115.124 114.943 0.181 18218 10528 1 20 . 1 1 51 51 SER HA H 51 4.274 4.274 4.246 0.028 18218 10529 1 20 . 1 1 51 51 SER C C 51 172.392 172.392 173.755 -1.363 18218 10530 1 20 . 1 1 51 51 SER CA C 51 56.112 56.112 59.050 -2.938 18218 10531 1 20 . 1 1 51 51 SER CB C 51 60.075 60.075 63.645 -3.570 18218 10532 1 20 . 1 1 51 51 SER H H 51 7.873 7.873 8.416 -0.543 18218 10533 1 20 . 1 1 52 52 ARG N N 52 122.132 122.132 122.056 0.076 18218 10534 1 20 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.492 -0.216 18218 10535 1 20 . 1 1 52 52 ARG C C 52 174.316 174.316 176.194 -1.878 18218 10536 1 20 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.733 -3.311 18218 10537 1 20 . 1 1 52 52 ARG CB C 52 26.332 26.332 31.412 -5.080 18218 10538 1 20 . 1 1 52 52 ARG H H 52 7.923 7.923 8.511 -0.588 18218 10539 1 20 . 1 1 53 53 GLY N N 53 108.907 108.907 106.044 2.863 18218 10540 1 20 . 1 1 53 53 GLY C C 53 171.405 171.405 173.471 -2.066 18218 10541 1 20 . 1 1 53 53 GLY CA C 53 42.459 42.459 44.249 -1.790 18218 10542 1 20 . 1 1 53 53 GLY H H 53 8.142 8.142 8.163 -0.021 18218 10543 1 20 . 1 1 54 54 SER N N 54 115.609 115.609 112.685 2.924 18218 10544 1 20 . 1 1 54 54 SER HA H 54 4.470 4.470 4.205 0.265 18218 10545 1 20 . 1 1 54 54 SER C C 54 172.367 172.367 173.881 -1.514 18218 10546 1 20 . 1 1 54 54 SER CA C 54 55.504 55.504 59.022 -3.518 18218 10547 1 20 . 1 1 54 54 SER CB C 54 60.537 60.537 63.958 -3.421 18218 10548 1 20 . 1 1 54 54 SER H H 54 8.042 8.042 8.230 -0.188 18218 10549 1 20 . 1 1 55 55 THR N N 55 117.148 117.148 116.798 0.350 18218 10550 1 20 . 1 1 55 55 THR HA H 55 4.244 4.244 3.903 0.341 18218 10551 1 20 . 1 1 55 55 THR C C 55 171.785 171.785 173.606 -1.821 18218 10552 1 20 . 1 1 55 55 THR CA C 55 59.612 59.612 62.769 -3.157 18218 10553 1 20 . 1 1 55 55 THR CB C 55 66.322 66.322 68.475 -2.153 18218 10554 1 20 . 1 1 55 55 THR H H 55 8.123 8.123 8.287 -0.164 18218 10555 1 20 . 1 1 56 56 LYS N N 56 123.462 123.462 121.362 2.100 18218 10556 1 20 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.126 0.118 18218 10557 1 20 . 1 1 56 56 LYS C C 56 173.848 173.848 174.890 -1.042 18218 10558 1 20 . 1 1 56 56 LYS CA C 56 53.566 53.566 57.023 -3.457 18218 10559 1 20 . 1 1 56 56 LYS CB C 56 29.117 29.117 32.505 -3.388 18218 10560 1 20 . 1 1 56 56 LYS H H 56 8.184 8.184 8.273 -0.089 18218 10561 1 20 . 1 1 57 57 MET N N 57 121.145 121.145 119.777 1.368 18218 10562 1 20 . 1 1 57 57 MET HA H 57 4.425 4.425 4.702 -0.277 18218 10563 1 20 . 1 1 57 57 MET C C 57 172.835 172.835 176.136 -3.301 18218 10564 1 20 . 1 1 57 57 MET CA C 57 52.930 52.930 56.652 -3.722 18218 10565 1 20 . 1 1 57 57 MET CB C 57 29.876 29.876 34.154 -4.278 18218 10566 1 20 . 1 1 57 57 MET H H 57 8.153 8.153 8.608 -0.455 18218 10567 1 20 . 1 1 58 58 SER N N 58 116.811 116.811 114.499 2.312 18218 10568 1 20 . 1 1 58 58 SER HA H 58 4.470 4.470 4.349 0.121 18218 10569 1 20 . 1 1 58 58 SER C C 58 171.620 171.620 174.217 -2.597 18218 10570 1 20 . 1 1 58 58 SER CA C 58 55.041 55.041 59.181 -4.139 18218 10571 1 20 . 1 1 58 58 SER CB C 58 60.653 60.653 63.115 -2.462 18218 10572 1 20 . 1 1 58 58 SER H H 58 7.895 7.895 8.325 -0.430 18218 10573 1 20 . 1 1 59 59 ILE N N 59 122.346 122.346 123.253 -0.907 18218 10574 1 20 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.060 -0.070 18218 10575 1 20 . 1 1 59 59 ILE C C 59 173.127 173.127 175.317 -2.190 18218 10576 1 20 . 1 1 59 59 ILE CA C 59 58.542 58.542 62.428 -3.886 18218 10577 1 20 . 1 1 59 59 ILE CB C 59 34.938 34.938 38.097 -3.159 18218 10578 1 20 . 1 1 59 59 ILE H H 59 8.110 8.110 8.537 -0.427 18218 10579 1 20 . 1 1 60 60 HIS N N 60 121.006 121.006 115.599 5.407 18218 10580 1 20 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.635 -0.621 18218 10581 1 20 . 1 1 60 60 HIS C C 60 172.443 172.443 174.030 -1.587 18218 10582 1 20 . 1 1 60 60 HIS CA C 60 53.364 53.364 55.185 -1.821 18218 10583 1 20 . 1 1 60 60 HIS CB C 60 25.510 25.510 28.167 -2.657 18218 10584 1 20 . 1 1 60 60 HIS H H 60 8.235 8.235 7.661 0.574 18218 10585 1 20 . 1 1 61 61 LEU N N 61 120.472 120.472 118.994 1.478 18218 10586 1 20 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.069 0.120 18218 10587 1 20 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.888 -2.698 18218 10588 1 20 . 1 1 61 61 LEU CB C 61 38.864 38.864 41.776 -2.912 18218 10589 1 20 . 1 1 61 61 LEU H H 61 8.045 8.045 8.008 0.037 18218 10590 1 20 . 1 1 62 62 ILE N N 62 117.281 117.281 122.737 -5.456 18218 10591 1 20 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.252 -0.355 18218 10592 1 20 . 1 1 62 62 ILE CA C 62 59.149 59.149 62.026 -2.877 18218 10593 1 20 . 1 1 62 62 ILE CB C 62 34.432 34.432 39.661 -5.229 18218 10594 1 20 . 1 1 62 62 ILE H H 62 7.555 7.555 8.857 -1.302 18218 10595 1 20 . 1 1 63 63 HIS N N 63 119.488 119.488 117.052 2.436 18218 10596 1 20 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.594 0.043 18218 10597 1 20 . 1 1 63 63 HIS CA C 63 52.438 52.438 55.925 -3.487 18218 10598 1 20 . 1 1 63 63 HIS CB C 63 25.130 25.130 30.619 -5.489 18218 10599 1 20 . 1 1 63 63 HIS H H 63 8.179 8.179 8.357 -0.178 18218 10600 1 20 . 1 1 64 64 THR N N 64 112.132 112.132 114.363 -2.231 18218 10601 1 20 . 1 1 64 64 THR HA H 64 4.296 4.296 3.693 0.603 18218 10602 1 20 . 1 1 64 64 THR C C 64 175.063 175.063 174.450 0.613 18218 10603 1 20 . 1 1 64 64 THR CA C 64 58.802 58.802 63.186 -4.384 18218 10604 1 20 . 1 1 64 64 THR CB C 64 67.588 67.588 69.458 -1.870 18218 10605 1 20 . 1 1 64 64 THR H H 64 7.576 7.576 7.056 0.520 18218 10606 1 20 . 1 1 65 65 ARG N N 65 123.493 123.493 119.480 4.013 18218 10607 1 20 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.261 0.035 18218 10608 1 20 . 1 1 65 65 ARG C C 65 175.633 175.633 177.314 -1.681 18218 10609 1 20 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.361 -2.030 18218 10610 1 20 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.053 -3.910 18218 10611 1 20 . 1 1 65 65 ARG H H 65 8.713 8.713 8.293 0.420 18218 10612 1 20 . 1 1 66 66 VAL N N 66 117.974 117.974 121.672 -3.698 18218 10613 1 20 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.841 0.156 18218 10614 1 20 . 1 1 66 66 VAL C C 66 174.215 174.215 177.261 -3.046 18218 10615 1 20 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.198 -3.504 18218 10616 1 20 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.770 -3.729 18218 10617 1 20 . 1 1 66 66 VAL H H 66 7.987 7.987 7.936 0.051 18218 10618 1 20 . 1 1 67 67 ALA N N 67 123.016 123.016 122.043 0.973 18218 10619 1 20 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.944 0.056 18218 10620 1 20 . 1 1 67 67 ALA C C 67 175.367 175.367 179.314 -3.947 18218 10621 1 20 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.041 -2.921 18218 10622 1 20 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.790 -3.037 18218 10623 1 20 . 1 1 67 67 ALA H H 67 7.645 7.645 8.311 -0.666 18218 10624 1 20 . 1 1 68 68 ALA N N 68 120.682 120.682 121.113 -0.431 18218 10625 1 20 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.907 0.272 18218 10626 1 20 . 1 1 68 68 ALA C C 68 178.354 178.354 179.665 -1.311 18218 10627 1 20 . 1 1 68 68 ALA CA C 68 52.149 52.149 54.985 -2.836 18218 10628 1 20 . 1 1 68 68 ALA CB C 68 14.753 14.753 17.902 -3.149 18218 10629 1 20 . 1 1 68 68 ALA H H 68 7.931 7.931 8.153 -0.222 18218 10630 1 20 . 1 1 69 69 GLN N N 69 119.129 119.129 119.099 0.030 18218 10631 1 20 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.923 0.353 18218 10632 1 20 . 1 1 69 69 GLN C C 69 175.430 175.430 178.126 -2.696 18218 10633 1 20 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.962 -3.689 18218 10634 1 20 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.540 -3.410 18218 10635 1 20 . 1 1 69 69 GLN H H 69 8.213 8.213 8.132 0.081 18218 10636 1 20 . 1 1 70 70 ALA N N 70 122.065 122.065 121.614 0.451 18218 10637 1 20 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.829 0.171 18218 10638 1 20 . 1 1 70 70 ALA C C 70 176.734 176.734 179.117 -2.383 18218 10639 1 20 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.670 -2.521 18218 10640 1 20 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.622 -2.869 18218 10641 1 20 . 1 1 70 70 ALA H H 70 8.397 8.397 8.261 0.136 18218 10642 1 20 . 1 1 71 71 CYS N N 71 115.893 115.893 117.651 -1.758 18218 10643 1 20 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.045 0.008 18218 10644 1 20 . 1 1 71 71 CYS C C 71 173.696 173.696 176.868 -3.172 18218 10645 1 20 . 1 1 71 71 CYS CA C 71 60.451 60.451 61.495 -1.044 18218 10646 1 20 . 1 1 71 71 CYS CB C 71 23.485 23.485 26.396 -2.911 18218 10647 1 20 . 1 1 71 71 CYS H H 71 8.169 8.169 7.752 0.417 18218 10648 1 20 . 1 1 72 72 ALA N N 72 122.868 122.868 123.706 -0.838 18218 10649 1 20 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.014 0.246 18218 10650 1 20 . 1 1 72 72 ALA C C 72 177.886 177.886 179.331 -1.445 18218 10651 1 20 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.560 -3.527 18218 10652 1 20 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.099 -3.346 18218 10653 1 20 . 1 1 72 72 ALA H H 72 7.742 7.742 8.226 -0.484 18218 10654 1 20 . 1 1 73 73 VAL N N 73 118.066 118.066 118.320 -0.254 18218 10655 1 20 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.563 0.213 18218 10656 1 20 . 1 1 73 73 VAL C C 73 175.696 175.696 178.277 -2.581 18218 10657 1 20 . 1 1 73 73 VAL CA C 73 62.649 62.649 65.765 -3.116 18218 10658 1 20 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.674 -2.570 18218 10659 1 20 . 1 1 73 73 VAL H H 73 8.050 8.050 8.472 -0.422 18218 10660 1 20 . 1 1 74 74 GLY N N 74 109.146 109.146 106.838 2.308 18218 10661 1 20 . 1 1 74 74 GLY C C 74 171.962 171.962 175.619 -3.657 18218 10662 1 20 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.374 -2.804 18218 10663 1 20 . 1 1 74 74 GLY H H 74 8.648 8.648 7.822 0.826 18218 10664 1 20 . 1 1 75 75 ALA N N 75 123.035 123.035 125.060 -2.025 18218 10665 1 20 . 1 1 75 75 ALA HA H 75 4.089 4.089 3.883 0.206 18218 10666 1 20 . 1 1 75 75 ALA C C 75 178.253 178.253 179.548 -1.295 18218 10667 1 20 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.848 -2.410 18218 10668 1 20 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.270 -3.580 18218 10669 1 20 . 1 1 75 75 ALA H H 75 8.213 8.213 7.921 0.292 18218 10670 1 20 . 1 1 76 76 ILE N N 76 120.121 120.121 119.773 0.348 18218 10671 1 20 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.414 0.415 18218 10672 1 20 . 1 1 76 76 ILE C C 76 176.506 176.506 178.206 -1.700 18218 10673 1 20 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.775 -4.457 18218 10674 1 20 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.772 -3.404 18218 10675 1 20 . 1 1 76 76 ILE H H 76 7.523 7.523 8.007 -0.484 18218 10676 1 20 . 1 1 77 77 MET N N 77 120.468 120.468 118.537 1.931 18218 10677 1 20 . 1 1 77 77 MET HA H 77 4.116 4.116 3.966 0.150 18218 10678 1 20 . 1 1 77 77 MET C C 77 175.038 175.038 178.304 -3.266 18218 10679 1 20 . 1 1 77 77 MET CA C 77 56.314 56.314 59.104 -2.790 18218 10680 1 20 . 1 1 77 77 MET CB C 77 34.242 34.242 32.401 1.841 18218 10681 1 20 . 1 1 77 77 MET H H 77 8.239 8.239 8.029 0.210 18218 10682 1 20 . 1 1 78 78 LEU N N 78 119.389 119.389 119.199 0.190 18218 10683 1 20 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.944 0.020 18218 10684 1 20 . 1 1 78 78 LEU C C 78 176.202 176.202 178.646 -2.444 18218 10685 1 20 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.843 -3.975 18218 10686 1 20 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.686 -3.901 18218 10687 1 20 . 1 1 78 78 LEU H H 78 8.571 8.571 8.389 0.182 18218 10688 1 20 . 1 1 79 79 GLY N N 79 105.857 105.857 106.398 -0.541 18218 10689 1 20 . 1 1 79 79 GLY C C 79 173.861 173.861 175.863 -2.002 18218 10690 1 20 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.599 -3.347 18218 10691 1 20 . 1 1 79 79 GLY H H 79 8.006 8.006 8.166 -0.160 18218 10692 1 20 . 1 1 80 80 ALA N N 80 125.631 125.631 125.148 0.483 18218 10693 1 20 . 1 1 80 80 ALA HA H 80 4.295 4.295 3.983 0.312 18218 10694 1 20 . 1 1 80 80 ALA C C 80 177.544 177.544 179.590 -2.046 18218 10695 1 20 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.001 -2.997 18218 10696 1 20 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.503 -3.813 18218 10697 1 20 . 1 1 80 80 ALA H H 80 7.971 7.971 8.036 -0.065 18218 10698 1 20 . 1 1 81 81 VAL N N 81 118.858 118.858 119.913 -1.055 18218 10699 1 20 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.627 0.113 18218 10700 1 20 . 1 1 81 81 VAL C C 81 174.974 174.974 178.182 -3.208 18218 10701 1 20 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.150 -2.836 18218 10702 1 20 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.095 -3.307 18218 10703 1 20 . 1 1 81 81 VAL H H 81 8.206 8.206 8.214 -0.008 18218 10704 1 20 . 1 1 82 82 TYR N N 82 121.151 121.151 118.752 2.399 18218 10705 1 20 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.143 0.134 18218 10706 1 20 . 1 1 82 82 TYR C C 82 176.038 176.038 178.514 -2.476 18218 10707 1 20 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.194 -3.392 18218 10708 1 20 . 1 1 82 82 TYR CB C 82 34.432 34.432 37.912 -3.480 18218 10709 1 20 . 1 1 82 82 TYR H H 82 8.614 8.614 8.718 -0.104 18218 10710 1 20 . 1 1 83 83 THR N N 83 118.253 118.253 115.688 2.565 18218 10711 1 20 . 1 1 83 83 THR HA H 83 4.340 4.340 3.863 0.477 18218 10712 1 20 . 1 1 83 83 THR CA C 83 63.980 63.980 66.600 -2.620 18218 10713 1 20 . 1 1 83 83 THR CB C 83 65.437 65.437 68.665 -3.228 18218 10714 1 20 . 1 1 83 83 THR H H 83 8.361 8.361 8.357 0.004 18218 10715 1 20 . 1 1 84 84 MET N N 84 121.616 121.616 121.334 0.282 18218 10716 1 20 . 1 1 84 84 MET C C 84 175.949 175.949 177.732 -1.783 18218 10717 1 20 . 1 1 84 84 MET CA C 84 56.603 56.603 58.750 -2.147 18218 10718 1 20 . 1 1 84 84 MET CB C 84 29.180 29.180 32.187 -3.007 18218 10719 1 20 . 1 1 84 84 MET H H 84 8.053 8.053 8.248 -0.195 18218 10720 1 20 . 1 1 85 85 TYR N N 85 120.690 120.690 119.858 0.832 18218 10721 1 20 . 1 1 85 85 TYR HA H 85 4.170 4.170 3.988 0.182 18218 10722 1 20 . 1 1 85 85 TYR C C 85 173.709 173.709 177.138 -3.429 18218 10723 1 20 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.026 -2.542 18218 10724 1 20 . 1 1 85 85 TYR CB C 85 34.938 34.938 37.887 -2.949 18218 10725 1 20 . 1 1 85 85 TYR H H 85 8.543 8.543 8.284 0.259 18218 10726 1 20 . 1 1 86 86 SER N N 86 115.536 115.536 113.471 2.065 18218 10727 1 20 . 1 1 86 86 SER HA H 86 3.802 3.802 3.726 0.076 18218 10728 1 20 . 1 1 86 86 SER C C 86 174.709 174.709 176.267 -1.558 18218 10729 1 20 . 1 1 86 86 SER CA C 86 58.542 58.542 60.406 -1.864 18218 10730 1 20 . 1 1 86 86 SER CB C 86 59.243 59.243 63.367 -4.124 18218 10731 1 20 . 1 1 86 86 SER H H 86 8.422 8.422 8.233 0.189 18218 10732 1 20 . 1 1 87 87 ASP N N 87 121.132 121.132 122.950 -1.818 18218 10733 1 20 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.250 0.099 18218 10734 1 20 . 1 1 87 87 ASP C C 87 175.177 175.177 177.782 -2.605 18218 10735 1 20 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.660 -2.892 18218 10736 1 20 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.568 -4.237 18218 10737 1 20 . 1 1 87 87 ASP H H 87 8.295 8.295 8.015 0.280 18218 10738 1 20 . 1 1 88 88 TYR N N 88 122.430 122.430 118.405 4.025 18218 10739 1 20 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.080 0.036 18218 10740 1 20 . 1 1 88 88 TYR C C 88 174.772 174.772 177.067 -2.295 18218 10741 1 20 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.450 -1.907 18218 10742 1 20 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.410 -3.282 18218 10743 1 20 . 1 1 88 88 TYR H H 88 7.919 7.919 7.748 0.171 18218 10744 1 20 . 1 1 89 89 VAL N N 89 118.321 118.321 119.257 -0.936 18218 10745 1 20 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.613 -0.187 18218 10746 1 20 . 1 1 89 89 VAL C C 89 176.101 176.101 175.454 0.647 18218 10747 1 20 . 1 1 89 89 VAL CA C 89 62.794 62.794 65.179 -2.385 18218 10748 1 20 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.067 -4.216 18218 10749 1 20 . 1 1 89 89 VAL H H 89 8.121 8.121 7.939 0.182 18218 10750 1 20 . 1 1 90 90 LYS N N 90 120.272 120.272 116.883 3.389 18218 10751 1 20 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.070 -0.061 18218 10752 1 20 . 1 1 90 90 LYS C C 90 176.126 176.126 175.248 0.878 18218 10753 1 20 . 1 1 90 90 LYS CA C 90 55.851 55.851 57.068 -1.217 18218 10754 1 20 . 1 1 90 90 LYS CB C 90 28.610 28.610 30.909 -2.299 18218 10755 1 20 . 1 1 90 90 LYS H H 90 7.708 7.708 8.130 -0.422 18218 10756 1 20 . 1 1 91 91 ARG N N 91 119.904 119.904 119.625 0.279 18218 10757 1 20 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.362 -0.334 18218 10758 1 20 . 1 1 91 91 ARG C C 91 175.544 175.544 174.936 0.608 18218 10759 1 20 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.348 -1.162 18218 10760 1 20 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.923 -4.654 18218 10761 1 20 . 1 1 91 91 ARG H H 91 7.685 7.685 8.283 -0.598 18218 10762 1 20 . 1 1 92 92 MET N N 92 118.654 118.654 118.654 0.000 18218 10763 1 20 . 1 1 92 92 MET HA H 92 4.248 4.248 4.678 -0.430 18218 10764 1 20 . 1 1 92 92 MET C C 92 174.810 174.810 174.432 0.378 18218 10765 1 20 . 1 1 92 92 MET CA C 92 53.508 53.508 55.383 -1.875 18218 10766 1 20 . 1 1 92 92 MET CB C 92 26.016 26.016 35.665 -9.649 18218 10767 1 20 . 1 1 92 92 MET H H 92 7.790 7.790 7.785 0.005 18218 10768 1 20 . 1 1 93 93 ALA N N 93 122.890 122.890 122.724 0.166 18218 10769 1 20 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.630 -0.419 18218 10770 1 20 . 1 1 93 93 ALA C C 93 175.633 175.633 176.830 -1.197 18218 10771 1 20 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.298 -2.376 18218 10772 1 20 . 1 1 93 93 ALA CB C 93 15.259 15.259 18.886 -3.627 18218 10773 1 20 . 1 1 93 93 ALA H H 93 7.648 7.648 8.222 -0.574 18218 10774 1 20 . 1 1 94 94 GLN N N 94 119.315 119.315 120.197 -0.882 18218 10775 1 20 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.103 0.096 18218 10776 1 20 . 1 1 94 94 GLN C C 94 173.676 173.676 175.360 -1.684 18218 10777 1 20 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.933 -3.569 18218 10778 1 20 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.473 -2.583 18218 10779 1 20 . 1 1 94 94 GLN H H 94 7.887 7.887 8.509 -0.622 18218 10780 1 20 . 1 1 95 95 ASP N N 95 121.546 121.546 121.634 -0.088 18218 10781 1 20 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.394 0.166 18218 10782 1 20 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.260 -2.776 18218 10783 1 20 . 1 1 95 95 ASP CB C 95 37.722 37.722 39.715 -1.993 18218 10784 1 20 . 1 1 95 95 ASP H H 95 8.199 8.199 8.397 -0.198 18218 10785 1 20 . 1 1 96 96 ALA N N 96 125.033 125.033 120.353 4.680 18218 10786 1 20 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.089 0.166 18218 10787 1 20 . 1 1 96 96 ALA C C 96 175.645 175.645 178.259 -2.614 18218 10788 1 20 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.101 -2.324 18218 10789 1 20 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.198 -2.622 18218 10790 1 20 . 1 1 96 96 ALA H H 96 8.062 8.062 8.321 -0.259 18218 10791 1 20 . 1 1 97 97 GLY N N 97 108.048 108.048 109.510 -1.462 18218 10792 1 20 . 1 1 97 97 GLY C C 97 171.418 171.418 175.780 -4.362 18218 10793 1 20 . 1 1 97 97 GLY CA C 97 42.140 42.140 46.266 -4.126 18218 10794 1 20 . 1 1 97 97 GLY H H 97 8.196 8.196 8.706 -0.510 18218 10795 1 20 . 1 1 98 98 GLU N N 98 121.445 121.445 120.162 1.283 18218 10796 1 20 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.097 0.168 18218 10797 1 20 . 1 1 98 98 GLU C C 98 172.987 172.987 177.663 -4.676 18218 10798 1 20 . 1 1 98 98 GLU CA C 98 53.277 53.277 58.053 -4.776 18218 10799 1 20 . 1 1 98 98 GLU CB C 98 26.396 26.396 29.897 -3.501 18218 10800 1 20 . 1 1 98 98 GLU H H 98 8.086 8.086 8.406 -0.320 18218 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 93 2.123 -0.202 2.125 18218 2 1 1 "Average Difference" HA 100 0.254 -0.018 0.255 18218 3 1 1 "Average Difference" C 83 2.478 2.243 1.059 18218 4 1 1 "Average Difference" CA 96 3.331 3.084 1.265 18218 5 1 1 "Average Difference" CB 89 3.691 3.503 1.169 18218 6 1 1 "Average Difference" HN 93 0.458 0.182 0.423 18218 7 1 2 "Average Difference" N 93 2.911 0.129 2.924 18218 8 1 2 "Average Difference" HA 100 0.244 -0.019 0.244 18218 9 1 2 "Average Difference" C 83 2.524 2.206 1.235 18218 10 1 2 "Average Difference" CA 96 3.355 3.124 1.230 18218 11 1 2 "Average Difference" CB 89 3.665 3.498 1.100 18218 12 1 2 "Average Difference" HN 93 0.520 0.250 0.458 18218 13 1 3 "Average Difference" N 93 2.224 -0.000 2.236 18218 14 1 3 "Average Difference" HA 100 0.256 -0.045 0.253 18218 15 1 3 "Average Difference" C 83 2.620 2.307 1.249 18218 16 1 3 "Average Difference" CA 96 3.523 3.245 1.378 18218 17 1 3 "Average Difference" CB 89 3.694 3.480 1.246 18218 18 1 3 "Average Difference" HN 93 0.492 0.228 0.438 18218 19 1 4 "Average Difference" N 93 2.384 -0.190 2.389 18218 20 1 4 "Average Difference" HA 100 0.261 -0.037 0.259 18218 21 1 4 "Average Difference" C 83 2.580 2.293 1.191 18218 22 1 4 "Average Difference" CA 96 3.489 3.213 1.366 18218 23 1 4 "Average Difference" CB 89 3.741 3.522 1.270 18218 24 1 4 "Average Difference" HN 93 0.443 0.180 0.407 18218 25 1 5 "Average Difference" N 93 2.084 0.144 2.090 18218 26 1 5 "Average Difference" HA 100 0.258 -0.006 0.259 18218 27 1 5 "Average Difference" C 83 2.532 2.204 1.253 18218 28 1 5 "Average Difference" CA 96 3.302 3.051 1.268 18218 29 1 5 "Average Difference" CB 89 3.669 3.505 1.091 18218 30 1 5 "Average Difference" HN 93 0.435 0.223 0.376 18218 31 1 6 "Average Difference" N 93 2.671 0.345 2.663 18218 32 1 6 "Average Difference" HA 100 0.248 -0.048 0.245 18218 33 1 6 "Average Difference" C 83 2.711 2.356 1.351 18218 34 1 6 "Average Difference" CA 96 3.487 3.228 1.326 18218 35 1 6 "Average Difference" CB 89 3.759 3.547 1.253 18218 36 1 6 "Average Difference" HN 93 0.476 0.216 0.427 18218 37 1 7 "Average Difference" N 93 2.684 0.073 2.698 18218 38 1 7 "Average Difference" HA 100 0.258 0.023 0.258 18218 39 1 7 "Average Difference" C 83 2.557 2.302 1.119 18218 40 1 7 "Average Difference" CA 96 3.312 3.069 1.253 18218 41 1 7 "Average Difference" CB 89 3.811 3.610 1.229 18218 42 1 7 "Average Difference" HN 93 0.459 0.204 0.414 18218 43 1 8 "Average Difference" N 93 2.581 -0.158 2.590 18218 44 1 8 "Average Difference" HA 100 0.251 -0.010 0.252 18218 45 1 8 "Average Difference" C 83 2.520 2.275 1.090 18218 46 1 8 "Average Difference" CA 96 3.320 3.092 1.216 18218 47 1 8 "Average Difference" CB 89 3.738 3.580 1.083 18218 48 1 8 "Average Difference" HN 93 0.454 0.181 0.419 18218 49 1 9 "Average Difference" N 93 2.607 0.340 2.599 18218 50 1 9 "Average Difference" HA 100 0.261 -0.028 0.261 18218 51 1 9 "Average Difference" C 83 2.416 2.071 1.251 18218 52 1 9 "Average Difference" CA 96 3.400 3.133 1.329 18218 53 1 9 "Average Difference" CB 89 3.760 3.570 1.189 18218 54 1 9 "Average Difference" HN 93 0.445 0.188 0.405 18218 55 1 10 "Average Difference" N 93 2.454 0.029 2.467 18218 56 1 10 "Average Difference" HA 100 0.235 -0.019 0.235 18218 57 1 10 "Average Difference" C 83 2.570 2.300 1.155 18218 58 1 10 "Average Difference" CA 96 3.418 3.160 1.308 18218 59 1 10 "Average Difference" CB 89 3.694 3.511 1.153 18218 60 1 10 "Average Difference" HN 93 0.468 0.207 0.422 18218 61 1 11 "Average Difference" N 93 2.280 0.283 2.274 18218 62 1 11 "Average Difference" HA 100 0.252 -0.023 0.253 18218 63 1 11 "Average Difference" C 83 2.560 2.247 1.235 18218 64 1 11 "Average Difference" CA 96 3.346 3.111 1.237 18218 65 1 11 "Average Difference" CB 89 3.683 3.525 1.074 18218 66 1 11 "Average Difference" HN 93 0.465 0.178 0.432 18218 67 1 12 "Average Difference" N 93 2.449 0.031 2.462 18218 68 1 12 "Average Difference" HA 100 0.243 -0.050 0.239 18218 69 1 12 "Average Difference" C 83 2.509 2.261 1.094 18218 70 1 12 "Average Difference" CA 96 3.412 3.201 1.188 18218 71 1 12 "Average Difference" CB 89 3.744 3.535 1.241 18218 72 1 12 "Average Difference" HN 93 0.451 0.194 0.410 18218 73 1 13 "Average Difference" N 93 2.229 -0.114 2.238 18218 74 1 13 "Average Difference" HA 100 0.259 0.049 0.255 18218 75 1 13 "Average Difference" C 83 2.495 2.216 1.154 18218 76 1 13 "Average Difference" CA 96 3.280 3.027 1.268 18218 77 1 13 "Average Difference" CB 89 3.796 3.629 1.118 18218 78 1 13 "Average Difference" HN 93 0.444 0.198 0.400 18218 79 1 14 "Average Difference" N 93 2.598 0.150 2.607 18218 80 1 14 "Average Difference" HA 100 0.233 0.002 0.234 18218 81 1 14 "Average Difference" C 83 2.462 2.119 1.261 18218 82 1 14 "Average Difference" CA 96 3.450 3.139 1.438 18218 83 1 14 "Average Difference" CB 89 3.737 3.569 1.114 18218 84 1 14 "Average Difference" HN 93 0.472 0.207 0.427 18218 85 1 15 "Average Difference" N 93 2.848 0.066 2.863 18218 86 1 15 "Average Difference" HA 100 0.266 -0.058 0.261 18218 87 1 15 "Average Difference" C 83 2.465 2.172 1.173 18218 88 1 15 "Average Difference" CA 96 3.372 3.136 1.246 18218 89 1 15 "Average Difference" CB 89 3.592 3.378 1.229 18218 90 1 15 "Average Difference" HN 93 0.465 0.190 0.426 18218 91 1 16 "Average Difference" N 93 2.522 0.112 2.533 18218 92 1 16 "Average Difference" HA 100 0.269 -0.003 0.270 18218 93 1 16 "Average Difference" C 83 2.441 2.133 1.195 18218 94 1 16 "Average Difference" CA 96 3.316 3.053 1.303 18218 95 1 16 "Average Difference" CB 89 3.946 3.756 1.216 18218 96 1 16 "Average Difference" HN 93 0.480 0.220 0.429 18218 97 1 17 "Average Difference" N 93 2.602 0.187 2.609 18218 98 1 17 "Average Difference" HA 100 0.260 -0.023 0.260 18218 99 1 17 "Average Difference" C 83 2.654 2.353 1.236 18218 100 1 17 "Average Difference" CA 96 3.461 3.186 1.360 18218 101 1 17 "Average Difference" CB 89 3.762 3.583 1.154 18218 102 1 17 "Average Difference" HN 93 0.487 0.223 0.435 18218 103 1 18 "Average Difference" N 93 2.528 -0.095 2.540 18218 104 1 18 "Average Difference" HA 100 0.254 -0.024 0.254 18218 105 1 18 "Average Difference" C 83 2.462 2.164 1.182 18218 106 1 18 "Average Difference" CA 96 3.413 3.121 1.387 18218 107 1 18 "Average Difference" CB 89 3.644 3.489 1.057 18218 108 1 18 "Average Difference" HN 93 0.498 0.216 0.451 18218 109 1 19 "Average Difference" N 93 2.538 -0.106 2.550 18218 110 1 19 "Average Difference" HA 100 0.247 -0.004 0.248 18218 111 1 19 "Average Difference" C 83 2.567 2.273 1.200 18218 112 1 19 "Average Difference" CA 96 3.404 3.173 1.238 18218 113 1 19 "Average Difference" CB 89 3.751 3.592 1.086 18218 114 1 19 "Average Difference" HN 93 0.417 0.182 0.378 18218 115 1 20 "Average Difference" N 93 2.148 -0.236 2.146 18218 116 1 20 "Average Difference" HA 100 0.248 -0.047 0.245 18218 117 1 20 "Average Difference" C 83 2.501 2.197 1.202 18218 118 1 20 "Average Difference" CA 96 3.361 3.128 1.236 18218 119 1 20 "Average Difference" CB 89 3.683 3.492 1.175 18218 120 1 20 "Average Difference" HN 93 0.423 0.156 0.395 18218 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 18218 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 116.234 116.234 117.892 -1.658 18218 2 1 . 1 1 2 2 SER HA H 2 4.828 4.828 4.715 0.113 18218 3 1 . 1 1 2 2 SER C C 2 171.696 171.696 173.598 -1.902 18218 4 1 . 1 1 2 2 SER CA C 2 55.273 55.273 58.430 -3.157 18218 5 1 . 1 1 2 2 SER CB C 2 60.624 60.624 64.084 -3.460 18218 6 1 . 1 1 2 2 SER H H 2 7.958 7.958 8.460 -0.502 18218 7 1 . 1 1 3 3 ALA N N 3 125.895 125.895 126.204 -0.309 18218 8 1 . 1 1 3 3 ALA C C 3 174.633 174.633 176.395 -1.762 18218 9 1 . 1 1 3 3 ALA CA C 3 49.719 49.719 52.459 -2.740 18218 10 1 . 1 1 3 3 ALA CB C 3 15.512 15.512 19.174 -3.663 18218 11 1 . 1 1 3 3 ALA H H 3 8.273 8.273 8.420 -0.147 18218 12 1 . 1 1 4 4 ASN N N 4 118.166 118.166 118.615 -0.449 18218 13 1 . 1 1 4 4 ASN HA H 4 4.600 4.600 4.679 -0.079 18218 14 1 . 1 1 4 4 ASN C C 4 172.089 172.089 174.287 -2.198 18218 15 1 . 1 1 4 4 ASN CA C 4 50.269 50.269 53.360 -3.091 18218 16 1 . 1 1 4 4 ASN CB C 4 35.571 35.571 38.971 -3.400 18218 17 1 . 1 1 4 4 ASN H H 4 8.307 8.307 8.400 -0.093 18218 18 1 . 1 1 5 5 ARG N N 5 121.553 121.553 122.318 -0.765 18218 19 1 . 1 1 5 5 ARG HA H 5 4.169 4.169 4.340 -0.171 18218 20 1 . 1 1 5 5 ARG C C 5 173.013 173.013 175.269 -2.256 18218 21 1 . 1 1 5 5 ARG CA C 5 52.814 52.814 56.349 -3.535 18218 22 1 . 1 1 5 5 ARG CB C 5 27.218 27.218 31.021 -3.803 18218 23 1 . 1 1 5 5 ARG H H 5 8.058 8.058 8.394 -0.336 18218 24 1 . 1 1 6 6 ARG N N 6 122.689 122.689 122.168 0.521 18218 25 1 . 1 1 6 6 ARG HA H 6 3.941 3.941 4.240 -0.299 18218 26 1 . 1 1 6 6 ARG C C 6 173.392 173.392 175.112 -1.720 18218 27 1 . 1 1 6 6 ARG CA C 6 52.265 52.265 56.360 -4.095 18218 28 1 . 1 1 6 6 ARG CB C 6 26.206 26.206 30.494 -4.288 18218 29 1 . 1 1 6 6 ARG H H 6 8.122 8.122 8.486 -0.364 18218 30 1 . 1 1 7 7 TRP N N 7 120.901 120.901 123.621 -2.720 18218 31 1 . 1 1 7 7 TRP HA H 7 4.418 4.418 4.643 -0.224 18218 32 1 . 1 1 7 7 TRP C C 7 172.557 172.557 175.294 -2.737 18218 33 1 . 1 1 7 7 TRP CA C 7 54.521 54.521 56.976 -2.455 18218 34 1 . 1 1 7 7 TRP CB C 7 26.079 26.079 29.765 -3.686 18218 35 1 . 1 1 7 7 TRP H H 7 7.585 7.585 8.314 -0.729 18218 36 1 . 1 1 8 8 TRP N N 8 118.192 118.192 124.302 -6.110 18218 37 1 . 1 1 8 8 TRP HA H 8 4.451 4.451 4.616 -0.165 18218 38 1 . 1 1 8 8 TRP C C 8 171.456 171.456 175.204 -3.748 18218 39 1 . 1 1 8 8 TRP CA C 8 53.942 53.942 57.012 -3.071 18218 40 1 . 1 1 8 8 TRP CB C 8 25.510 25.510 29.913 -4.403 18218 41 1 . 1 1 8 8 TRP H H 8 6.811 6.811 8.085 -1.274 18218 42 1 . 1 1 9 9 VAL N N 9 122.005 122.005 122.136 -0.131 18218 43 1 . 1 1 9 9 VAL HA H 9 4.152 4.152 4.191 -0.039 18218 44 1 . 1 1 9 9 VAL C C 9 170.671 170.671 174.069 -3.398 18218 45 1 . 1 1 9 9 VAL CA C 9 56.083 56.083 60.490 -4.407 18218 46 1 . 1 1 9 9 VAL CB C 9 29.180 29.180 32.127 -2.947 18218 47 1 . 1 1 9 9 VAL H H 9 6.949 6.949 8.006 -1.057 18218 48 1 . 1 1 11 11 PRO CA C 11 60.332 60.332 62.799 -2.467 18218 49 1 . 1 1 11 11 PRO CB C 11 29.383 29.383 32.223 -2.840 18218 50 1 . 1 1 12 12 ASP N N 12 119.443 119.443 119.698 -0.255 18218 51 1 . 1 1 12 12 ASP HA H 12 4.524 4.524 4.568 -0.043 18218 52 1 . 1 1 12 12 ASP C C 12 174.215 174.215 175.429 -1.214 18218 53 1 . 1 1 12 12 ASP CA C 12 51.426 51.426 54.865 -3.439 18218 54 1 . 1 1 12 12 ASP CB C 12 37.279 37.279 41.532 -4.254 18218 55 1 . 1 1 12 12 ASP H H 12 8.241 8.241 8.339 -0.098 18218 56 1 . 1 1 13 13 ASP N N 13 119.369 119.369 120.141 -0.772 18218 57 1 . 1 1 13 13 ASP HA H 13 4.580 4.580 4.658 -0.078 18218 58 1 . 1 1 13 13 ASP C C 13 175.379 175.379 175.660 -0.281 18218 59 1 . 1 1 13 13 ASP CA C 13 51.107 51.107 54.515 -3.408 18218 60 1 . 1 1 13 13 ASP CB C 13 37.342 37.342 41.935 -4.593 18218 61 1 . 1 1 13 13 ASP H H 13 7.980 7.980 8.307 -0.327 18218 62 1 . 1 1 14 14 GLU N N 14 121.036 121.036 120.910 0.126 18218 63 1 . 1 1 14 14 GLU HA H 14 4.160 4.160 4.323 -0.163 18218 64 1 . 1 1 14 14 GLU C C 14 173.633 173.633 175.150 -1.517 18218 65 1 . 1 1 14 14 GLU CA C 14 54.116 54.116 56.691 -2.575 18218 66 1 . 1 1 14 14 GLU CB C 14 26.206 26.206 30.087 -3.881 18218 67 1 . 1 1 14 14 GLU H H 14 8.197 8.197 8.338 -0.141 18218 68 1 . 1 1 15 15 ASP N N 15 120.130 120.130 121.433 -1.303 18218 69 1 . 1 1 15 15 ASP HA H 15 4.642 4.642 4.690 -0.048 18218 70 1 . 1 1 15 15 ASP C C 15 173.595 173.595 175.767 -2.172 18218 71 1 . 1 1 15 15 ASP CA C 15 51.455 51.455 54.094 -2.639 18218 72 1 . 1 1 15 15 ASP CB C 15 37.469 37.469 41.534 -4.065 18218 73 1 . 1 1 15 15 ASP H H 15 8.308 8.308 8.318 -0.010 18218 74 1 . 1 1 16 16 CYS N N 16 118.700 118.700 120.420 -1.720 18218 75 1 . 1 1 16 16 CYS HA H 16 4.451 4.451 4.438 0.012 18218 76 1 . 1 1 16 16 CYS CA C 16 55.736 55.736 59.857 -4.121 18218 77 1 . 1 1 16 16 CYS CB C 16 24.687 24.687 28.620 -3.933 18218 78 1 . 1 1 16 16 CYS H H 16 7.968 7.968 8.571 -0.603 18218 79 1 . 1 1 17 17 VAL N N 17 123.275 123.275 116.586 6.689 18218 80 1 . 1 1 17 17 VAL HA H 17 3.728 3.728 4.224 -0.496 18218 81 1 . 1 1 17 17 VAL C C 17 174.430 174.430 175.393 -0.963 18218 82 1 . 1 1 17 17 VAL CA C 17 62.504 62.504 62.771 -0.267 18218 83 1 . 1 1 17 17 VAL CB C 17 28.231 28.231 32.713 -4.482 18218 84 1 . 1 1 17 17 VAL H H 17 8.550 8.550 8.028 0.522 18218 85 1 . 1 1 18 18 SER N N 18 116.499 116.499 114.383 2.116 18218 86 1 . 1 1 18 18 SER HA H 18 3.822 3.822 4.097 -0.275 18218 87 1 . 1 1 18 18 SER CA C 18 58.484 58.484 59.186 -0.702 18218 88 1 . 1 1 18 18 SER CB C 18 59.109 59.109 63.373 -4.264 18218 89 1 . 1 1 18 18 SER H H 18 8.447 8.447 8.035 0.412 18218 90 1 . 1 1 19 19 GLU N N 19 121.940 121.940 121.386 0.554 18218 91 1 . 1 1 19 19 GLU HA H 19 4.010 4.010 4.008 0.003 18218 92 1 . 1 1 19 19 GLU C C 19 175.544 175.544 178.434 -2.890 18218 93 1 . 1 1 19 19 GLU CA C 19 55.620 55.620 59.557 -3.937 18218 94 1 . 1 1 19 19 GLU CB C 19 25.447 25.447 29.502 -4.054 18218 95 1 . 1 1 19 19 GLU H H 19 7.686 7.686 8.859 -1.173 18218 96 1 . 1 1 20 20 LYS N N 20 119.855 119.855 120.730 -0.875 18218 97 1 . 1 1 20 20 LYS HA H 20 3.920 3.920 4.063 -0.143 18218 98 1 . 1 1 20 20 LYS C C 20 173.696 173.696 178.889 -5.193 18218 99 1 . 1 1 20 20 LYS CA C 20 56.054 56.054 59.257 -3.203 18218 100 1 . 1 1 20 20 LYS CB C 20 28.927 28.927 32.101 -3.174 18218 101 1 . 1 1 20 20 LYS H H 20 7.898 7.898 7.768 0.130 18218 102 1 . 1 1 21 21 LEU N N 21 119.542 119.542 120.840 -1.298 18218 103 1 . 1 1 21 21 LEU HA H 21 4.041 4.041 4.060 -0.019 18218 104 1 . 1 1 21 21 LEU CA C 21 54.347 54.347 57.681 -3.334 18218 105 1 . 1 1 21 21 LEU CB C 21 38.418 38.418 41.410 -2.992 18218 106 1 . 1 1 21 21 LEU H H 21 8.056 8.056 8.117 -0.061 18218 107 1 . 1 1 22 22 LEU N N 22 120.384 120.384 120.103 0.281 18218 108 1 . 1 1 22 22 LEU HA H 22 4.050 4.050 3.895 0.155 18218 109 1 . 1 1 22 22 LEU CA C 22 54.347 54.347 58.192 -3.845 18218 110 1 . 1 1 22 22 LEU CB C 22 37.912 37.912 41.495 -3.583 18218 111 1 . 1 1 22 22 LEU H H 22 8.097 8.097 8.376 -0.279 18218 112 1 . 1 1 23 23 ARG N N 23 119.486 119.486 117.276 2.210 18218 113 1 . 1 1 23 23 ARG HA H 23 3.995 3.995 4.008 -0.013 18218 114 1 . 1 1 23 23 ARG C C 23 175.443 175.443 178.321 -2.878 18218 115 1 . 1 1 23 23 ARG CA C 23 55.822 55.822 58.417 -2.595 18218 116 1 . 1 1 23 23 ARG CB C 23 26.332 26.332 30.242 -3.910 18218 117 1 . 1 1 23 23 ARG H H 23 8.032 8.032 8.041 -0.009 18218 118 1 . 1 1 24 24 LYS N N 24 119.009 119.009 118.384 0.625 18218 119 1 . 1 1 24 24 LYS HA H 24 4.140 4.140 4.075 0.065 18218 120 1 . 1 1 24 24 LYS C C 24 175.633 175.633 177.579 -1.946 18218 121 1 . 1 1 24 24 LYS CA C 24 54.723 54.723 58.587 -3.864 18218 122 1 . 1 1 24 24 LYS CB C 24 28.610 28.610 32.631 -4.021 18218 123 1 . 1 1 24 24 LYS H H 24 7.860 7.860 7.978 -0.118 18218 124 1 . 1 1 25 25 THR N N 25 112.776 112.776 114.441 -1.665 18218 125 1 . 1 1 25 25 THR HA H 25 4.005 4.005 4.246 -0.241 18218 126 1 . 1 1 25 25 THR C C 25 172.646 172.646 173.990 -1.344 18218 127 1 . 1 1 25 25 THR CA C 25 61.810 61.810 63.316 -1.506 18218 128 1 . 1 1 25 25 THR CB C 25 65.753 65.753 69.437 -3.683 18218 129 1 . 1 1 25 25 THR H H 25 7.867 7.867 8.066 -0.199 18218 130 1 . 1 1 26 26 ARG N N 26 119.996 119.996 123.694 -3.698 18218 131 1 . 1 1 26 26 ARG HA H 26 4.147 4.147 4.347 -0.200 18218 132 1 . 1 1 26 26 ARG C C 26 174.278 174.278 175.372 -1.094 18218 133 1 . 1 1 26 26 ARG CA C 26 54.347 54.347 56.660 -2.313 18218 134 1 . 1 1 26 26 ARG CB C 26 27.028 27.028 30.841 -3.813 18218 135 1 . 1 1 26 26 ARG H H 26 7.765 7.765 8.434 -0.669 18218 136 1 . 1 1 27 27 GLU N N 27 118.067 118.067 120.211 -2.144 18218 137 1 . 1 1 27 27 GLU HA H 27 4.287 4.287 4.344 -0.057 18218 138 1 . 1 1 27 27 GLU C C 27 173.582 173.582 175.421 -1.839 18218 139 1 . 1 1 27 27 GLU CA C 27 53.364 53.364 56.548 -3.184 18218 140 1 . 1 1 27 27 GLU CB C 27 26.206 26.206 30.222 -4.016 18218 141 1 . 1 1 27 27 GLU H H 27 7.764 7.764 8.560 -0.796 18218 142 1 . 1 1 28 28 SER N N 28 115.900 115.900 116.447 -0.547 18218 143 1 . 1 1 28 28 SER HA H 28 4.740 4.740 4.554 0.186 18218 144 1 . 1 1 28 28 SER C C 28 170.481 170.481 172.613 -2.132 18218 145 1 . 1 1 28 28 SER CA C 28 53.132 53.132 57.576 -4.444 18218 146 1 . 1 1 28 28 SER CB C 28 60.624 60.624 63.489 -2.865 18218 147 1 . 1 1 28 28 SER H H 28 7.630 7.630 8.247 -0.617 18218 148 1 . 1 1 29 29 PRO HA H 29 4.536 4.536 4.640 -0.104 18218 149 1 . 1 1 29 29 PRO CA C 29 60.291 60.291 62.460 -2.169 18218 150 1 . 1 1 29 29 PRO CB C 29 29.447 29.447 32.467 -3.020 18218 151 1 . 1 1 30 30 LEU N N 30 120.365 120.365 119.743 0.622 18218 152 1 . 1 1 30 30 LEU HA H 30 4.209 4.209 4.480 -0.271 18218 153 1 . 1 1 30 30 LEU CA C 30 52.756 52.756 56.551 -3.795 18218 154 1 . 1 1 30 30 LEU CB C 30 38.924 38.924 41.801 -2.877 18218 155 1 . 1 1 30 30 LEU H H 30 8.034 8.034 8.265 -0.231 18218 156 1 . 1 1 31 31 VAL N N 31 117.988 117.988 121.607 -3.619 18218 157 1 . 1 1 31 31 VAL HA H 31 4.233 4.233 3.825 0.408 18218 158 1 . 1 1 31 31 VAL C C 31 171.899 171.899 175.775 -3.876 18218 159 1 . 1 1 31 31 VAL CA C 31 57.587 57.587 68.057 -10.470 18218 160 1 . 1 1 31 31 VAL CB C 31 28.710 28.710 29.328 -0.618 18218 161 1 . 1 1 31 31 VAL H H 31 7.499 7.499 8.400 -0.901 18218 162 1 . 1 1 32 32 PRO HA H 32 4.537 4.537 4.342 0.195 18218 163 1 . 1 1 32 32 PRO CA C 32 60.096 60.096 65.761 -5.665 18218 164 1 . 1 1 32 32 PRO CB C 32 27.750 27.750 31.219 -3.469 18218 165 1 . 1 1 33 33 ILE N N 33 121.507 121.507 118.693 2.814 18218 166 1 . 1 1 33 33 ILE HA H 33 3.919 3.919 3.627 0.292 18218 167 1 . 1 1 33 33 ILE C C 33 173.025 173.025 178.278 -5.253 18218 168 1 . 1 1 33 33 ILE CA C 33 59.872 59.872 64.615 -4.743 18218 169 1 . 1 1 33 33 ILE CB C 33 34.495 34.495 37.331 -2.836 18218 170 1 . 1 1 33 33 ILE H H 33 7.982 7.982 7.862 0.120 18218 171 1 . 1 1 34 34 GLY N N 34 111.381 111.381 107.313 4.068 18218 172 1 . 1 1 34 34 GLY C C 34 172.987 172.987 175.876 -2.889 18218 173 1 . 1 1 34 34 GLY CA C 34 43.008 43.008 46.865 -3.858 18218 174 1 . 1 1 34 34 GLY H H 34 8.540 8.540 8.618 -0.078 18218 175 1 . 1 1 35 35 LEU N N 35 122.626 122.626 123.522 -0.896 18218 176 1 . 1 1 35 35 LEU HA H 35 4.249 4.249 3.925 0.324 18218 177 1 . 1 1 35 35 LEU C C 35 175.637 175.637 178.905 -3.268 18218 178 1 . 1 1 35 35 LEU CA C 35 54.232 54.232 57.877 -3.645 18218 179 1 . 1 1 35 35 LEU CB C 35 38.608 38.608 41.656 -3.048 18218 180 1 . 1 1 35 35 LEU H H 35 7.964 7.964 7.796 0.168 18218 181 1 . 1 1 36 36 GLY N N 36 106.708 106.708 106.105 0.603 18218 182 1 . 1 1 36 36 GLY C C 36 172.647 172.647 176.069 -3.422 18218 183 1 . 1 1 36 36 GLY CA C 36 44.426 44.426 47.267 -2.841 18218 184 1 . 1 1 36 36 GLY H H 36 8.521 8.521 8.636 -0.115 18218 185 1 . 1 1 37 37 GLY N N 37 108.586 108.586 108.708 -0.122 18218 186 1 . 1 1 37 37 GLY C C 37 173.291 173.291 175.915 -2.624 18218 187 1 . 1 1 37 37 GLY CA C 37 44.136 44.136 46.826 -2.690 18218 188 1 . 1 1 37 37 GLY H H 37 8.270 8.270 8.356 -0.086 18218 189 1 . 1 1 38 38 CYS N N 38 119.678 119.678 121.133 -1.455 18218 190 1 . 1 1 38 38 CYS HA H 38 4.244 4.244 4.255 -0.011 18218 191 1 . 1 1 38 38 CYS C C 38 174.215 174.215 176.336 -2.121 18218 192 1 . 1 1 38 38 CYS CA C 38 59.236 59.236 62.741 -3.505 18218 193 1 . 1 1 38 38 CYS CB C 38 23.359 23.359 27.752 -4.393 18218 194 1 . 1 1 38 38 CYS H H 38 7.836 7.836 7.991 -0.155 18218 195 1 . 1 1 39 39 LEU N N 39 120.798 120.798 121.640 -0.842 18218 196 1 . 1 1 39 39 LEU HA H 39 4.113 4.113 3.939 0.174 18218 197 1 . 1 1 39 39 LEU C C 39 175.506 175.506 178.981 -3.475 18218 198 1 . 1 1 39 39 LEU CA C 39 54.868 54.868 58.308 -3.440 18218 199 1 . 1 1 39 39 LEU CB C 39 37.849 37.849 41.789 -3.940 18218 200 1 . 1 1 39 39 LEU H H 39 7.999 7.999 8.145 -0.146 18218 201 1 . 1 1 40 40 VAL N N 40 118.510 118.510 118.703 -0.193 18218 202 1 . 1 1 40 40 VAL HA H 40 3.596 3.596 3.661 -0.065 18218 203 1 . 1 1 40 40 VAL C C 40 174.544 174.544 177.785 -3.241 18218 204 1 . 1 1 40 40 VAL CA C 40 63.719 63.719 66.510 -2.791 18218 205 1 . 1 1 40 40 VAL CB C 40 27.914 27.914 31.312 -3.398 18218 206 1 . 1 1 40 40 VAL H H 40 7.803 7.803 8.104 -0.301 18218 207 1 . 1 1 41 41 VAL N N 41 119.131 119.131 120.194 -1.063 18218 208 1 . 1 1 41 41 VAL HA H 41 3.692 3.692 3.562 0.130 18218 209 1 . 1 1 41 41 VAL C C 41 175.924 175.924 177.799 -1.875 18218 210 1 . 1 1 41 41 VAL CA C 41 63.459 63.459 66.843 -3.384 18218 211 1 . 1 1 41 41 VAL CB C 41 28.041 28.041 31.196 -3.155 18218 212 1 . 1 1 41 41 VAL H H 41 7.624 7.624 7.997 -0.373 18218 213 1 . 1 1 42 42 ALA N N 42 122.172 122.172 121.238 0.934 18218 214 1 . 1 1 42 42 ALA HA H 42 4.105 4.105 3.893 0.212 18218 215 1 . 1 1 42 42 ALA C C 42 176.582 176.582 179.135 -2.553 18218 216 1 . 1 1 42 42 ALA CA C 42 52.265 52.265 55.397 -3.132 18218 217 1 . 1 1 42 42 ALA CB C 42 14.880 14.880 17.888 -3.008 18218 218 1 . 1 1 42 42 ALA H H 42 8.008 8.008 8.403 -0.395 18218 219 1 . 1 1 43 43 ALA N N 43 119.990 119.990 121.939 -1.949 18218 220 1 . 1 1 43 43 ALA HA H 43 3.991 3.991 4.033 -0.041 18218 221 1 . 1 1 43 43 ALA C C 43 176.455 176.455 179.499 -3.044 18218 222 1 . 1 1 43 43 ALA CA C 43 52.293 52.293 55.016 -2.723 18218 223 1 . 1 1 43 43 ALA CB C 43 14.880 14.880 18.057 -3.177 18218 224 1 . 1 1 43 43 ALA H H 43 8.400 8.400 7.768 0.632 18218 225 1 . 1 1 44 44 TYR N N 44 118.221 118.221 119.453 -1.232 18218 226 1 . 1 1 44 44 TYR HA H 44 4.219 4.219 4.128 0.091 18218 227 1 . 1 1 44 44 TYR C C 44 175.177 175.177 178.096 -2.919 18218 228 1 . 1 1 44 44 TYR CA C 44 58.281 58.281 61.533 -3.252 18218 229 1 . 1 1 44 44 TYR CB C 44 34.622 34.622 38.236 -3.614 18218 230 1 . 1 1 44 44 TYR H H 44 8.345 8.345 8.422 -0.077 18218 231 1 . 1 1 45 45 ARG N N 45 119.104 119.104 119.613 -0.509 18218 232 1 . 1 1 45 45 ARG HA H 45 3.833 3.833 3.854 -0.021 18218 233 1 . 1 1 45 45 ARG C C 45 176.531 176.531 178.701 -2.170 18218 234 1 . 1 1 45 45 ARG CA C 45 56.430 56.430 59.715 -3.285 18218 235 1 . 1 1 45 45 ARG CB C 45 26.206 26.206 29.991 -3.785 18218 236 1 . 1 1 45 45 ARG H H 45 8.275 8.275 8.262 0.013 18218 237 1 . 1 1 46 46 ILE N N 46 119.719 119.719 119.836 -0.117 18218 238 1 . 1 1 46 46 ILE HA H 46 3.701 3.701 3.641 0.061 18218 239 1 . 1 1 46 46 ILE C C 46 174.873 174.873 177.901 -3.028 18218 240 1 . 1 1 46 46 ILE CA C 46 61.434 61.434 65.197 -3.763 18218 241 1 . 1 1 46 46 ILE CB C 46 33.862 33.862 37.428 -3.566 18218 242 1 . 1 1 46 46 ILE H H 46 8.119 8.119 8.381 -0.262 18218 243 1 . 1 1 47 47 TYR N N 47 121.419 121.419 119.678 1.741 18218 244 1 . 1 1 47 47 TYR HA H 47 3.982 3.982 3.996 -0.014 18218 245 1 . 1 1 47 47 TYR C C 47 175.544 175.544 177.644 -2.100 18218 246 1 . 1 1 47 47 TYR CA C 47 58.599 58.599 61.786 -3.187 18218 247 1 . 1 1 47 47 TYR CB C 47 34.875 34.875 38.109 -3.234 18218 248 1 . 1 1 47 47 TYR H H 47 8.383 8.383 8.230 0.153 18218 249 1 . 1 1 48 48 ARG N N 48 118.278 118.278 117.845 0.433 18218 250 1 . 1 1 48 48 ARG HA H 48 3.692 3.692 3.989 -0.297 18218 251 1 . 1 1 48 48 ARG C C 48 175.671 175.671 178.150 -2.479 18218 252 1 . 1 1 48 48 ARG CA C 48 54.955 54.955 58.773 -3.818 18218 253 1 . 1 1 48 48 ARG CB C 48 25.953 25.953 30.287 -4.334 18218 254 1 . 1 1 48 48 ARG H H 48 8.074 8.074 8.009 0.065 18218 255 1 . 1 1 49 49 LEU N N 49 120.350 120.350 119.110 1.240 18218 256 1 . 1 1 49 49 LEU HA H 49 4.148 4.148 4.045 0.103 18218 257 1 . 1 1 49 49 LEU C C 49 175.772 175.772 177.911 -2.139 18218 258 1 . 1 1 49 49 LEU CA C 49 53.508 53.508 57.476 -3.968 18218 259 1 . 1 1 49 49 LEU CB C 49 38.481 38.481 42.095 -3.614 18218 260 1 . 1 1 49 49 LEU H H 49 7.744 7.744 8.103 -0.359 18218 261 1 . 1 1 50 50 ARG N N 50 117.990 117.990 118.436 -0.446 18218 262 1 . 1 1 50 50 ARG HA H 50 4.154 4.154 4.124 0.030 18218 263 1 . 1 1 50 50 ARG C C 50 174.139 174.139 175.434 -1.295 18218 264 1 . 1 1 50 50 ARG CA C 50 54.058 54.058 57.364 -3.306 18218 265 1 . 1 1 50 50 ARG CB C 50 26.206 26.206 30.448 -4.241 18218 266 1 . 1 1 50 50 ARG H H 50 7.686 7.686 8.051 -0.365 18218 267 1 . 1 1 51 51 SER N N 51 115.124 115.124 115.057 0.067 18218 268 1 . 1 1 51 51 SER HA H 51 4.274 4.274 4.364 -0.090 18218 269 1 . 1 1 51 51 SER C C 51 172.392 172.392 173.655 -1.263 18218 270 1 . 1 1 51 51 SER CA C 51 56.112 56.112 58.198 -2.086 18218 271 1 . 1 1 51 51 SER CB C 51 60.075 60.075 63.826 -3.751 18218 272 1 . 1 1 51 51 SER H H 51 7.873 7.873 8.329 -0.456 18218 273 1 . 1 1 52 52 ARG N N 52 122.132 122.132 123.524 -1.392 18218 274 1 . 1 1 52 52 ARG HA H 52 4.276 4.276 4.392 -0.116 18218 275 1 . 1 1 52 52 ARG C C 52 174.316 174.316 176.461 -2.145 18218 276 1 . 1 1 52 52 ARG CA C 52 53.422 53.422 56.303 -2.881 18218 277 1 . 1 1 52 52 ARG CB C 52 26.332 26.332 30.878 -4.546 18218 278 1 . 1 1 52 52 ARG H H 52 7.923 7.923 8.508 -0.585 18218 279 1 . 1 1 53 53 GLY N N 53 108.907 108.907 110.658 -1.751 18218 280 1 . 1 1 53 53 GLY C C 53 171.405 171.405 173.906 -2.501 18218 281 1 . 1 1 53 53 GLY CA C 53 42.459 42.459 45.175 -2.716 18218 282 1 . 1 1 53 53 GLY H H 53 8.142 8.142 8.382 -0.240 18218 283 1 . 1 1 54 54 SER N N 54 115.609 115.609 115.558 0.051 18218 284 1 . 1 1 54 54 SER HA H 54 4.470 4.470 4.465 0.005 18218 285 1 . 1 1 54 54 SER C C 54 172.367 172.367 174.370 -2.003 18218 286 1 . 1 1 54 54 SER CA C 54 55.504 55.504 58.685 -3.181 18218 287 1 . 1 1 54 54 SER CB C 54 60.537 60.537 63.821 -3.284 18218 288 1 . 1 1 54 54 SER H H 54 8.042 8.042 8.327 -0.285 18218 289 1 . 1 1 55 55 THR N N 55 117.148 117.148 115.574 1.573 18218 290 1 . 1 1 55 55 THR HA H 55 4.244 4.244 4.256 -0.012 18218 291 1 . 1 1 55 55 THR C C 55 171.785 171.785 173.880 -2.095 18218 292 1 . 1 1 55 55 THR CA C 55 59.612 59.612 63.256 -3.644 18218 293 1 . 1 1 55 55 THR CB C 55 66.322 66.322 69.052 -2.730 18218 294 1 . 1 1 55 55 THR H H 55 8.123 8.123 8.273 -0.150 18218 295 1 . 1 1 56 56 LYS N N 56 123.462 123.462 120.961 2.501 18218 296 1 . 1 1 56 56 LYS HA H 56 4.244 4.244 4.289 -0.045 18218 297 1 . 1 1 56 56 LYS C C 56 173.848 173.848 175.615 -1.767 18218 298 1 . 1 1 56 56 LYS CA C 56 53.566 53.566 56.864 -3.298 18218 299 1 . 1 1 56 56 LYS CB C 56 29.117 29.117 32.743 -3.626 18218 300 1 . 1 1 56 56 LYS H H 56 8.184 8.184 8.123 0.061 18218 301 1 . 1 1 57 57 MET N N 57 121.145 121.145 119.136 2.010 18218 302 1 . 1 1 57 57 MET HA H 57 4.425 4.425 4.416 0.009 18218 303 1 . 1 1 57 57 MET C C 57 172.835 172.835 175.110 -2.275 18218 304 1 . 1 1 57 57 MET CA C 57 52.930 52.930 56.163 -3.233 18218 305 1 . 1 1 57 57 MET CB C 57 29.876 29.876 33.165 -3.289 18218 306 1 . 1 1 57 57 MET H H 57 8.153 8.153 8.322 -0.169 18218 307 1 . 1 1 58 58 SER N N 58 116.811 116.811 115.997 0.814 18218 308 1 . 1 1 58 58 SER HA H 58 4.470 4.470 4.450 0.020 18218 309 1 . 1 1 58 58 SER C C 58 171.620 171.620 174.123 -2.503 18218 310 1 . 1 1 58 58 SER CA C 58 55.041 55.041 58.766 -3.725 18218 311 1 . 1 1 58 58 SER CB C 58 60.653 60.653 63.749 -3.096 18218 312 1 . 1 1 58 58 SER H H 58 7.895 7.895 8.216 -0.321 18218 313 1 . 1 1 59 59 ILE N N 59 122.346 122.346 120.844 1.502 18218 314 1 . 1 1 59 59 ILE HA H 59 3.990 3.990 4.163 -0.173 18218 315 1 . 1 1 59 59 ILE C C 59 173.127 173.127 175.378 -2.251 18218 316 1 . 1 1 59 59 ILE CA C 59 58.542 58.542 61.578 -3.036 18218 317 1 . 1 1 59 59 ILE CB C 59 34.938 34.938 37.690 -2.752 18218 318 1 . 1 1 59 59 ILE H H 59 8.110 8.110 8.399 -0.289 18218 319 1 . 1 1 60 60 HIS N N 60 121.006 121.006 120.493 0.513 18218 320 1 . 1 1 60 60 HIS HA H 60 4.014 4.014 4.497 -0.483 18218 321 1 . 1 1 60 60 HIS C C 60 172.443 172.443 174.673 -2.230 18218 322 1 . 1 1 60 60 HIS CA C 60 53.364 53.364 56.891 -3.527 18218 323 1 . 1 1 60 60 HIS CB C 60 25.510 25.510 30.079 -4.569 18218 324 1 . 1 1 60 60 HIS H H 60 8.235 8.235 8.308 -0.074 18218 325 1 . 1 1 61 61 LEU N N 61 120.472 120.472 120.073 0.399 18218 326 1 . 1 1 61 61 LEU HA H 61 4.189 4.189 4.321 -0.132 18218 327 1 . 1 1 61 61 LEU CA C 61 53.190 53.190 55.499 -2.309 18218 328 1 . 1 1 61 61 LEU CB C 61 38.864 38.864 42.432 -3.568 18218 329 1 . 1 1 61 61 LEU H H 61 8.045 8.045 8.029 0.016 18218 330 1 . 1 1 62 62 ILE N N 62 117.281 117.281 118.248 -0.967 18218 331 1 . 1 1 62 62 ILE HA H 62 3.897 3.897 4.104 -0.207 18218 332 1 . 1 1 62 62 ILE CA C 62 59.149 59.149 61.391 -2.242 18218 333 1 . 1 1 62 62 ILE CB C 62 34.432 34.432 38.090 -3.658 18218 334 1 . 1 1 62 62 ILE H H 62 7.555 7.555 8.104 -0.549 18218 335 1 . 1 1 63 63 HIS N N 63 119.488 119.488 121.335 -1.847 18218 336 1 . 1 1 63 63 HIS HA H 63 4.637 4.637 4.540 0.097 18218 337 1 . 1 1 63 63 HIS CA C 63 52.438 52.438 56.589 -4.151 18218 338 1 . 1 1 63 63 HIS CB C 63 25.130 25.130 29.738 -4.608 18218 339 1 . 1 1 63 63 HIS H H 63 8.179 8.179 8.493 -0.314 18218 340 1 . 1 1 64 64 THR N N 64 112.132 112.132 114.544 -2.412 18218 341 1 . 1 1 64 64 THR HA H 64 4.296 4.296 4.321 -0.025 18218 342 1 . 1 1 64 64 THR C C 64 175.063 175.063 174.576 0.487 18218 343 1 . 1 1 64 64 THR CA C 64 58.802 58.802 62.223 -3.421 18218 344 1 . 1 1 64 64 THR CB C 64 67.588 67.588 69.803 -2.215 18218 345 1 . 1 1 64 64 THR H H 64 7.576 7.576 7.895 -0.319 18218 346 1 . 1 1 65 65 ARG N N 65 123.493 123.493 121.525 1.968 18218 347 1 . 1 1 65 65 ARG HA H 65 4.296 4.296 4.296 -0.000 18218 348 1 . 1 1 65 65 ARG C C 65 175.633 175.633 177.283 -1.650 18218 349 1 . 1 1 65 65 ARG CA C 65 55.331 55.331 57.328 -1.997 18218 350 1 . 1 1 65 65 ARG CB C 65 26.143 26.143 30.113 -3.970 18218 351 1 . 1 1 65 65 ARG H H 65 8.713 8.713 8.399 0.314 18218 352 1 . 1 1 66 66 VAL N N 66 117.974 117.974 120.788 -2.814 18218 353 1 . 1 1 66 66 VAL HA H 66 3.997 3.997 3.719 0.278 18218 354 1 . 1 1 66 66 VAL C C 66 174.215 174.215 177.437 -3.222 18218 355 1 . 1 1 66 66 VAL CA C 66 61.694 61.694 65.896 -4.202 18218 356 1 . 1 1 66 66 VAL CB C 66 28.041 28.041 31.339 -3.298 18218 357 1 . 1 1 66 66 VAL H H 66 7.987 7.987 8.141 -0.154 18218 358 1 . 1 1 67 67 ALA N N 67 123.016 123.016 122.118 0.898 18218 359 1 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.004 -0.004 18218 360 1 . 1 1 67 67 ALA C C 67 175.367 175.367 179.285 -3.918 18218 361 1 . 1 1 67 67 ALA CA C 67 52.120 52.120 55.160 -3.040 18218 362 1 . 1 1 67 67 ALA CB C 67 14.753 14.753 17.961 -3.208 18218 363 1 . 1 1 67 67 ALA H H 67 7.645 7.645 8.234 -0.589 18218 364 1 . 1 1 68 68 ALA N N 68 120.682 120.682 120.982 -0.300 18218 365 1 . 1 1 68 68 ALA HA H 68 4.179 4.179 3.887 0.292 18218 366 1 . 1 1 68 68 ALA C C 68 178.354 178.354 179.767 -1.413 18218 367 1 . 1 1 68 68 ALA CA C 68 52.149 52.149 55.053 -2.904 18218 368 1 . 1 1 68 68 ALA CB C 68 14.753 14.753 18.001 -3.248 18218 369 1 . 1 1 68 68 ALA H H 68 7.931 7.931 8.041 -0.110 18218 370 1 . 1 1 69 69 GLN N N 69 119.129 119.129 119.045 0.085 18218 371 1 . 1 1 69 69 GLN HA H 69 4.276 4.276 3.897 0.379 18218 372 1 . 1 1 69 69 GLN C C 69 175.430 175.430 178.300 -2.870 18218 373 1 . 1 1 69 69 GLN CA C 69 55.273 55.273 58.833 -3.560 18218 374 1 . 1 1 69 69 GLN CB C 69 25.130 25.130 28.541 -3.411 18218 375 1 . 1 1 69 69 GLN H H 69 8.213 8.213 8.256 -0.043 18218 376 1 . 1 1 70 70 ALA N N 70 122.065 122.065 121.426 0.639 18218 377 1 . 1 1 70 70 ALA HA H 70 4.000 4.000 3.803 0.197 18218 378 1 . 1 1 70 70 ALA C C 70 176.734 176.734 179.101 -2.367 18218 379 1 . 1 1 70 70 ALA CA C 70 52.149 52.149 54.758 -2.609 18218 380 1 . 1 1 70 70 ALA CB C 70 14.753 14.753 17.706 -2.953 18218 381 1 . 1 1 70 70 ALA H H 70 8.397 8.397 8.259 0.138 18218 382 1 . 1 1 71 71 CYS N N 71 115.893 115.893 117.032 -1.139 18218 383 1 . 1 1 71 71 CYS HA H 71 4.053 4.053 4.037 0.016 18218 384 1 . 1 1 71 71 CYS C C 71 173.696 173.696 176.789 -3.093 18218 385 1 . 1 1 71 71 CYS CA C 71 60.451 60.451 63.180 -2.729 18218 386 1 . 1 1 71 71 CYS CB C 71 23.485 23.485 27.261 -3.776 18218 387 1 . 1 1 71 71 CYS H H 71 8.169 8.169 7.902 0.267 18218 388 1 . 1 1 72 72 ALA N N 72 122.868 122.868 123.189 -0.321 18218 389 1 . 1 1 72 72 ALA HA H 72 4.260 4.260 4.000 0.261 18218 390 1 . 1 1 72 72 ALA C C 72 177.886 177.886 179.251 -1.365 18218 391 1 . 1 1 72 72 ALA CA C 72 52.033 52.033 55.476 -3.443 18218 392 1 . 1 1 72 72 ALA CB C 72 14.753 14.753 18.003 -3.250 18218 393 1 . 1 1 72 72 ALA H H 72 7.742 7.742 8.218 -0.476 18218 394 1 . 1 1 73 73 VAL N N 73 118.066 118.066 117.319 0.747 18218 395 1 . 1 1 73 73 VAL HA H 73 3.776 3.776 3.570 0.206 18218 396 1 . 1 1 73 73 VAL C C 73 175.696 175.696 178.082 -2.386 18218 397 1 . 1 1 73 73 VAL CA C 73 62.649 62.649 66.156 -3.507 18218 398 1 . 1 1 73 73 VAL CB C 73 28.104 28.104 30.892 -2.788 18218 399 1 . 1 1 73 73 VAL H H 73 8.050 8.050 8.290 -0.240 18218 400 1 . 1 1 74 74 GLY N N 74 109.146 109.146 107.251 1.895 18218 401 1 . 1 1 74 74 GLY C C 74 171.962 171.962 175.495 -3.533 18218 402 1 . 1 1 74 74 GLY CA C 74 44.570 44.570 47.142 -2.572 18218 403 1 . 1 1 74 74 GLY H H 74 8.648 8.648 7.950 0.698 18218 404 1 . 1 1 75 75 ALA N N 75 123.035 123.035 125.204 -2.169 18218 405 1 . 1 1 75 75 ALA HA H 75 4.089 4.089 4.029 0.060 18218 406 1 . 1 1 75 75 ALA C C 75 178.253 178.253 179.424 -1.171 18218 407 1 . 1 1 75 75 ALA CA C 75 52.438 52.438 54.809 -2.371 18218 408 1 . 1 1 75 75 ALA CB C 75 14.690 14.690 18.352 -3.662 18218 409 1 . 1 1 75 75 ALA H H 75 8.213 8.213 7.952 0.261 18218 410 1 . 1 1 76 76 ILE N N 76 120.121 120.121 119.327 0.794 18218 411 1 . 1 1 76 76 ILE HA H 76 3.829 3.829 3.541 0.288 18218 412 1 . 1 1 76 76 ILE C C 76 176.506 176.506 178.003 -1.497 18218 413 1 . 1 1 76 76 ILE CA C 76 61.318 61.318 65.216 -3.898 18218 414 1 . 1 1 76 76 ILE CB C 76 34.368 34.368 37.771 -3.403 18218 415 1 . 1 1 76 76 ILE H H 76 7.523 7.523 8.089 -0.566 18218 416 1 . 1 1 77 77 MET N N 77 120.468 120.468 118.654 1.814 18218 417 1 . 1 1 77 77 MET HA H 77 4.116 4.116 3.992 0.124 18218 418 1 . 1 1 77 77 MET C C 77 175.038 175.038 178.381 -3.343 18218 419 1 . 1 1 77 77 MET CA C 77 56.314 56.314 59.173 -2.859 18218 420 1 . 1 1 77 77 MET CB C 77 34.242 34.242 32.313 1.930 18218 421 1 . 1 1 77 77 MET H H 77 8.239 8.239 8.193 0.046 18218 422 1 . 1 1 78 78 LEU N N 78 119.389 119.389 119.812 -0.423 18218 423 1 . 1 1 78 78 LEU HA H 78 3.964 3.964 3.896 0.068 18218 424 1 . 1 1 78 78 LEU C C 78 176.202 176.202 178.822 -2.620 18218 425 1 . 1 1 78 78 LEU CA C 78 54.868 54.868 58.526 -3.658 18218 426 1 . 1 1 78 78 LEU CB C 78 37.785 37.785 41.520 -3.735 18218 427 1 . 1 1 78 78 LEU H H 78 8.571 8.571 8.341 0.230 18218 428 1 . 1 1 79 79 GLY N N 79 105.857 105.857 106.085 -0.228 18218 429 1 . 1 1 79 79 GLY C C 79 173.861 173.861 175.607 -1.746 18218 430 1 . 1 1 79 79 GLY CA C 79 44.252 44.252 47.301 -3.049 18218 431 1 . 1 1 79 79 GLY H H 79 8.006 8.006 8.358 -0.352 18218 432 1 . 1 1 80 80 ALA N N 80 125.631 125.631 125.218 0.413 18218 433 1 . 1 1 80 80 ALA HA H 80 4.295 4.295 4.017 0.278 18218 434 1 . 1 1 80 80 ALA C C 80 177.544 177.544 179.705 -2.161 18218 435 1 . 1 1 80 80 ALA CA C 80 52.004 52.004 55.071 -3.067 18218 436 1 . 1 1 80 80 ALA CB C 80 14.690 14.690 18.374 -3.684 18218 437 1 . 1 1 80 80 ALA H H 80 7.971 7.971 8.067 -0.096 18218 438 1 . 1 1 81 81 VAL N N 81 118.858 118.858 119.104 -0.246 18218 439 1 . 1 1 81 81 VAL HA H 81 3.740 3.740 3.596 0.144 18218 440 1 . 1 1 81 81 VAL C C 81 174.974 174.974 177.890 -2.916 18218 441 1 . 1 1 81 81 VAL CA C 81 63.314 63.314 66.536 -3.222 18218 442 1 . 1 1 81 81 VAL CB C 81 27.788 27.788 31.248 -3.460 18218 443 1 . 1 1 81 81 VAL H H 81 8.206 8.206 8.227 -0.021 18218 444 1 . 1 1 82 82 TYR N N 82 121.151 121.151 119.764 1.387 18218 445 1 . 1 1 82 82 TYR HA H 82 4.277 4.277 4.067 0.210 18218 446 1 . 1 1 82 82 TYR C C 82 176.038 176.038 178.295 -2.257 18218 447 1 . 1 1 82 82 TYR CA C 82 58.802 58.802 62.022 -3.220 18218 448 1 . 1 1 82 82 TYR CB C 82 34.432 34.432 38.042 -3.610 18218 449 1 . 1 1 82 82 TYR H H 82 8.614 8.614 8.633 -0.019 18218 450 1 . 1 1 83 83 THR N N 83 118.253 118.253 115.063 3.190 18218 451 1 . 1 1 83 83 THR HA H 83 4.340 4.340 3.936 0.404 18218 452 1 . 1 1 83 83 THR CA C 83 63.980 63.980 66.718 -2.738 18218 453 1 . 1 1 83 83 THR CB C 83 65.437 65.437 68.642 -3.205 18218 454 1 . 1 1 83 83 THR H H 83 8.361 8.361 8.475 -0.114 18218 455 1 . 1 1 84 84 MET N N 84 121.616 121.616 121.766 -0.150 18218 456 1 . 1 1 84 84 MET C C 84 175.949 175.949 177.998 -2.049 18218 457 1 . 1 1 84 84 MET CA C 84 56.603 56.603 59.244 -2.641 18218 458 1 . 1 1 84 84 MET CB C 84 29.180 29.180 32.262 -3.082 18218 459 1 . 1 1 84 84 MET H H 84 8.053 8.053 8.279 -0.226 18218 460 1 . 1 1 85 85 TYR N N 85 120.690 120.690 119.268 1.422 18218 461 1 . 1 1 85 85 TYR HA H 85 4.170 4.170 4.025 0.145 18218 462 1 . 1 1 85 85 TYR C C 85 173.709 173.709 177.777 -4.068 18218 463 1 . 1 1 85 85 TYR CA C 85 58.484 58.484 61.465 -2.982 18218 464 1 . 1 1 85 85 TYR CB C 85 34.938 34.938 38.152 -3.214 18218 465 1 . 1 1 85 85 TYR H H 85 8.543 8.543 8.487 0.056 18218 466 1 . 1 1 86 86 SER N N 86 115.536 115.536 113.491 2.045 18218 467 1 . 1 1 86 86 SER HA H 86 3.802 3.802 4.155 -0.354 18218 468 1 . 1 1 86 86 SER C C 86 174.709 174.709 176.773 -2.064 18218 469 1 . 1 1 86 86 SER CA C 86 58.542 58.542 61.392 -2.850 18218 470 1 . 1 1 86 86 SER CB C 86 59.243 59.243 63.247 -4.004 18218 471 1 . 1 1 86 86 SER H H 86 8.422 8.422 8.208 0.214 18218 472 1 . 1 1 87 87 ASP N N 87 121.132 121.132 122.827 -1.695 18218 473 1 . 1 1 87 87 ASP HA H 87 4.349 4.349 4.348 0.001 18218 474 1 . 1 1 87 87 ASP C C 87 175.177 175.177 177.867 -2.690 18218 475 1 . 1 1 87 87 ASP CA C 87 53.769 53.769 56.953 -3.184 18218 476 1 . 1 1 87 87 ASP CB C 87 36.330 36.330 40.603 -4.273 18218 477 1 . 1 1 87 87 ASP H H 87 8.295 8.295 8.206 0.089 18218 478 1 . 1 1 88 88 TYR N N 88 122.430 122.430 118.892 3.538 18218 479 1 . 1 1 88 88 TYR HA H 88 4.116 4.116 4.112 0.004 18218 480 1 . 1 1 88 88 TYR C C 88 174.772 174.772 176.524 -1.752 18218 481 1 . 1 1 88 88 TYR CA C 88 58.542 58.542 60.216 -1.674 18218 482 1 . 1 1 88 88 TYR CB C 88 35.128 35.128 38.470 -3.342 18218 483 1 . 1 1 88 88 TYR H H 88 7.919 7.919 8.002 -0.083 18218 484 1 . 1 1 89 89 VAL N N 89 118.321 118.321 118.271 0.050 18218 485 1 . 1 1 89 89 VAL HA H 89 3.426 3.426 3.707 -0.281 18218 486 1 . 1 1 89 89 VAL C C 89 176.101 176.101 176.459 -0.358 18218 487 1 . 1 1 89 89 VAL CA C 89 62.794 62.794 63.873 -1.079 18218 488 1 . 1 1 89 89 VAL CB C 89 27.851 27.851 32.192 -4.341 18218 489 1 . 1 1 89 89 VAL H H 89 8.121 8.121 7.728 0.393 18218 490 1 . 1 1 90 90 LYS N N 90 120.272 120.272 122.989 -2.717 18218 491 1 . 1 1 90 90 LYS HA H 90 4.009 4.009 4.069 -0.059 18218 492 1 . 1 1 90 90 LYS C C 90 176.126 176.126 176.113 0.013 18218 493 1 . 1 1 90 90 LYS CA C 90 55.851 55.851 57.549 -1.698 18218 494 1 . 1 1 90 90 LYS CB C 90 28.610 28.610 31.848 -3.238 18218 495 1 . 1 1 90 90 LYS H H 90 7.708 7.708 8.538 -0.830 18218 496 1 . 1 1 91 91 ARG N N 91 119.904 119.904 118.716 1.188 18218 497 1 . 1 1 91 91 ARG HA H 91 4.028 4.028 4.369 -0.341 18218 498 1 . 1 1 91 91 ARG C C 91 175.544 175.544 174.856 0.688 18218 499 1 . 1 1 91 91 ARG CA C 91 55.186 55.186 56.115 -0.929 18218 500 1 . 1 1 91 91 ARG CB C 91 26.269 26.269 30.894 -4.625 18218 501 1 . 1 1 91 91 ARG H H 91 7.685 7.685 8.090 -0.405 18218 502 1 . 1 1 92 92 MET N N 92 118.654 118.654 120.351 -1.697 18218 503 1 . 1 1 92 92 MET HA H 92 4.248 4.248 4.513 -0.265 18218 504 1 . 1 1 92 92 MET C C 92 174.810 174.810 174.826 -0.016 18218 505 1 . 1 1 92 92 MET CA C 92 53.508 53.508 55.648 -2.140 18218 506 1 . 1 1 92 92 MET CB C 92 26.016 26.016 33.997 -7.981 18218 507 1 . 1 1 92 92 MET H H 92 7.790 7.790 8.014 -0.224 18218 508 1 . 1 1 93 93 ALA N N 93 122.890 122.890 125.356 -2.466 18218 509 1 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.435 -0.224 18218 510 1 . 1 1 93 93 ALA C C 93 175.633 175.633 176.612 -0.979 18218 511 1 . 1 1 93 93 ALA CA C 93 49.922 49.922 52.392 -2.471 18218 512 1 . 1 1 93 93 ALA CB C 93 15.259 15.259 19.465 -4.206 18218 513 1 . 1 1 93 93 ALA H H 93 7.648 7.648 8.466 -0.818 18218 514 1 . 1 1 94 94 GLN N N 94 119.315 119.315 119.729 -0.414 18218 515 1 . 1 1 94 94 GLN HA H 94 4.199 4.199 4.248 -0.049 18218 516 1 . 1 1 94 94 GLN C C 94 173.676 173.676 174.950 -1.274 18218 517 1 . 1 1 94 94 GLN CA C 94 53.364 53.364 56.388 -3.024 18218 518 1 . 1 1 94 94 GLN CB C 94 25.890 25.890 28.898 -3.008 18218 519 1 . 1 1 94 94 GLN H H 94 7.887 7.887 8.373 -0.486 18218 520 1 . 1 1 95 95 ASP N N 95 121.546 121.546 120.408 1.138 18218 521 1 . 1 1 95 95 ASP HA H 95 4.560 4.560 4.547 0.013 18218 522 1 . 1 1 95 95 ASP CA C 95 51.484 51.484 54.624 -3.141 18218 523 1 . 1 1 95 95 ASP CB C 95 37.722 37.722 40.783 -3.061 18218 524 1 . 1 1 95 95 ASP H H 95 8.199 8.199 8.368 -0.169 18218 525 1 . 1 1 96 96 ALA N N 96 125.033 125.033 122.682 2.351 18218 526 1 . 1 1 96 96 ALA HA H 96 4.255 4.255 4.244 0.011 18218 527 1 . 1 1 96 96 ALA C C 96 175.645 175.645 177.795 -2.150 18218 528 1 . 1 1 96 96 ALA CA C 96 49.777 49.777 52.757 -2.980 18218 529 1 . 1 1 96 96 ALA CB C 96 15.576 15.576 18.773 -3.197 18218 530 1 . 1 1 96 96 ALA H H 96 8.062 8.062 8.146 -0.084 18218 531 1 . 1 1 97 97 GLY N N 97 108.048 108.048 109.080 -1.032 18218 532 1 . 1 1 97 97 GLY C C 97 171.418 171.418 173.979 -2.561 18218 533 1 . 1 1 97 97 GLY CA C 97 42.140 42.140 45.212 -3.072 18218 534 1 . 1 1 97 97 GLY H H 97 8.196 8.196 8.341 -0.145 18218 535 1 . 1 1 98 98 GLU N N 98 121.445 121.445 120.629 0.816 18218 536 1 . 1 1 98 98 GLU HA H 98 4.265 4.265 4.313 -0.048 18218 537 1 . 1 1 98 98 GLU C C 98 172.987 172.987 176.161 -3.174 18218 538 1 . 1 1 98 98 GLU CA C 98 53.277 53.277 56.343 -3.066 18218 539 1 . 1 1 98 98 GLU CB C 98 26.396 26.396 30.396 -4.000 18218 540 1 . 1 1 98 98 GLU H H 98 8.086 8.086 8.327 -0.241 18218 stop_ save_